A0A060XCL4_ONCMY Loading...

Large ribosomal subunit protein eL6

Component of the large ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell.

AlphaFold DB , UniProt , Accession A0A060XCL4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110536189, Length 258 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
1M39.2Very low50.8Low245 Ų245164.4 Ų164.4100%1.20787%0.873SS**  096.90-71.3-76.817600107.3
2A40.1Very low53.1Low104 Ų104158.6 Ų158.686%0.8687%0.865SS**  trans-68.3133.9-175.600000110.8G4A2-G4 PolarHBondContact O-N 2.84Å; A2-G4 VanDerWaalsContact O-N 3.1Å
3E43.5Very low55.3Low197 Ų197157.7 Ų157.792%0.92185%0.851SS**  trans-59.3111.8171.2-79.3-173.4130.200109.2D5E3-D5 PolarHBondContact O-N 3.24Å
4G43.8Very low57.5Low68 Ų68154.1 Ų154.170%0.70184%0.842SS**  trans-61.6127.6178.500000111.9A2 K6A2-G4 PolarHBondContact O-N 2.84Å; A2-G4 VanDerWaalsContact O-N 3.1Å; G4-K6 PolarHBondContact O-N 3.43Å
5D48.6Very low59.4Low164 Ų164150.5 Ų150.588%0.87783%0.833SS**  trans-46110.9170.6-88.4-50.8000111.7E3 K7E3-D5 PolarHBondContact O-N 3.24Å; D5-K7 PolarHBondContact O-N 3.47Å
6K53.3Low61.3Low196 Ų196145.6 Ų145.685%0.85280%0.797SS**  trans-64.699169.4-73.9176.4-177.8164.70108.1G4 V8G4-K6 PolarHBondContact O-N 3.43Å; K6-V8 PolarHBondContact O-N 3.37Å
7K49.4Very low63.2Low207 Ų207138.9 Ų138.990%0.976%0.761SS**  trans-45.3109.7170.4-80.4-177.9177.4173.20109.8D5 A9D5-K7 PolarHBondContact O-N 3.47Å; K7-A9 PolarHBondContact O-N 3.47Å
8V57.6Low65Low133 Ų133134.7 Ų134.781%0.80674%0.741SS**  trans-59.6112.7176.5178.90000107.9K6 K10K6-V8 PolarHBondContact O-N 3.37Å; V8-K10 PolarHBondContact O-N 3.17Å; V8-K10 VanDerWaalsContact O-N 3.09Å
9A60.8Low66.6Low84 Ų84133.5 Ų133.569%0.69474%0.738SS**  trans-55.5118.9176.200000109.1K7 K11K7-A9 PolarHBondContact O-N 3.47Å; A9-K11 PolarHBondContact O-N 3.33Å
10K58.3Low68Low210 Ų210133.4 Ų133.491%0.91374%0.735SS**  trans-55.3109.7176-76.6-177.4178.7176.30108.4V8 A12V8-K10 PolarHBondContact O-N 3.17Å; V8-K10 VanDerWaalsContact O-N 3.09Å; K10-A12 PolarHBondContact O-N 2.8Å
11K64.6Low69.3Low200 Ų200129.4 Ų129.487%0.8772%0.72SS**PPolyproline II helixtrans-58.7129.7178.5-73.2-178.9179.4173.90109A9 H13A9-K11 PolarHBondContact O-N 3.33Å; K11-H13 PolarHBondContact O-N 3.17Å
12A78.1Confident71.9Confident95 Ų95129.7 Ų129.779%0.78571%0.707SS**PPolyproline II helixtrans-55.4140.617100000109.9K10 C14K10-A12 PolarHBondContact O-N 2.8Å; A12-C14 PolarHBondContact O-N 3.3Å
13H81.8Confident74.5Confident147 Ų147128.7 Ų128.768%0.68171%0.708SS**PPolyproline II helixtrans-59.6131.7179.5-82.8-61.4000111.2K11 R16K11-H13 PolarHBondContact O-N 3.17Å; H13-R16 PolarHBondContact CD2-NH2 3.46Å; H13-R16 PolarHBondContact CE1-NH2 3.34Å; H13-R16 VanDerWaalsContact CE1-NH2 3.25Å; H13-R16 PolarHBondContact ND1-NH2 2.93Å; H13-R16 PolarHBondContact NE2-NH2 2.89Å; H13-R16 VanDerWaalsContact NE2-NH2 3.16Å
14C85.3Confident76.9Confident107 Ų107124.2 Ų124.272%0.72369%0.689SS**PPolyproline II helixtrans-72.7167.9170.858.50000111.9A12 R16A12-C14 PolarHBondContact O-N 3.3Å; C14-R16 PolarHBondContact O-N 3.04Å
15S87.1Confident79.4Confident100 Ų100122.5 Ų122.570%0.69967%0.671SS**PPolyproline II helixtrans-58.4123.7173.3179.70000110.2N17S15-N17 VanDerWaalsContact C-N 3.25Å; S15-N17 PolarHBondContact O-N 3.11Å; S15-N17 PolarHBondContact OG-N 3.08Å; S15-N17 PolarHBondContact OG-O 3.2Å
16R89.6Confident81.7Confident72 Ų72122 Ų12227%0.27266%0.657SS.*SBendtrans-83.2-0.3175.8-63.8-179.3-175153.93.8113.4H13 C14 M32H13-R16 PolarHBondContact CD2-NH2 3.46Å; H13-R16 PolarHBondContact CE1-NH2 3.34Å; H13-R16 VanDerWaalsContact CE1-NH2 3.25Å; H13-R16 PolarHBondContact ND1-NH2 2.93Å; H13-R16 PolarHBondContact NE2-NH2 2.89Å; H13-R16 VanDerWaalsContact NE2-NH2 3.16Å; C14-R16 PolarHBondContact O-N 3.04Å; R16-M32 HydrophobicContact CB-CE 4.05Å
17N94.1Very high83.8Confident32 Ų32115.9 Ų115.917%0.17163%0.629CS.*SBendtrans-114.7106.7174.3-157.7-6.5000109.5S15 R26 Y27 M32S15-N17 VanDerWaalsContact C-N 3.25Å; S15-N17 PolarHBondContact O-N 3.11Å; S15-N17 PolarHBondContact OG-N 3.08Å; S15-N17 PolarHBondContact OG-O 3.2Å; N17-R26 PolarHBondContact OD1-N 3.05Å; N17-Y27 PolarHBondContact ND2-O 3.32Å; N17-Y27 WeakPolarHBondContact OD1-CD2 3.41Å; N17-Y27 PolarHBondContact OD1-N 3.48Å; N17-M32 HydrophobicContact CB-CE 3.86Å; N17-M32 HydrophobicContact CB-CG 4.29Å; N17-M32 HydrophobicContact CB-SD 3.61Å
18P94.4Very high86Confident63 Ų63109.4 Ų109.441%0.40961%0.61SS.*  trans-66.315117328.3-30.8000110R26 Y27P18-R26 HydrophobicContact CG-CB 3.85Å; P18-R26 HydrophobicContact CG-CG 4.48Å; P18-R26 WeakPolarHBondContact O-CB 3.44Å; P18-R26 PolarHBondContact O-N 3.38Å; P18-Y27 HydrophobicContact CG-CE2 4.08Å
19V95.3Very high87.7Confident112 Ų112114.1 Ų114.168%0.67961%0.613SS**EExtended strand (participates in β ladder)trans-81.7126.9-178-178.70000108.8A21V19-A21 WeakPolarHBondContact CG1-O 3.47Å
20L94.8Very high89.4Confident132 Ų132114.4 Ų114.469%0.69161%0.61SS**EExtended strand (participates in β ladder)trans-85.3-49.7171.8-177.669.6000110I24L20-I24 PolarHBondContact N-O 3.01Å
21A95.1Very high91.2Very high49 Ų49106 Ų10641%0.40558%0.58SS.*EExtended strand (participates in β ladder)trans-144.3165.7173.800000109.3V19 G23 I24V19-A21 WeakPolarHBondContact CG1-O 3.47Å; A21-G23 PolarHBondContact O-N 3.12Å; A21-I24 PolarHBondContact N-O 2.98Å; A21-I24 PolarHBondContact O-N 2.8Å
22R93.9Very high92.6Very high251 Ų25197.9 Ų97.995%0.94755%0.545SS*.THydrogen-bonded Turntrans-58.3114.2-179.1-177.9-179.4176.2-171-4.6110.4
23G94.1Very high93.4Very high84 Ų8498.9 Ų98.987%0.86653%0.53SS*.THydrogen-bonded Turntrans95.6-8.4-178.500000114.8A21A21-G23 PolarHBondContact O-N 3.12Å
24I95.8Very high93.9Very high102 Ų10294.5 Ų94.552%0.52352%0.519SS..EExtended strand (participates in β ladder)trans-122.6119.4-176.3-55.3175.7000109.5L20 A21L20-I24 PolarHBondContact N-O 3.01Å; A21-I24 PolarHBondContact N-O 2.98Å; A21-I24 PolarHBondContact O-N 2.8Å
25G96.2Very high94.2Very high32 Ų3295.5 Ų95.533%0.3351%0.507SS..EExtended strand (participates in β ladder)trans-81.7154.4171.900000111.7
26R96.1Very high94.4Very high154 Ų15496.8 Ų96.858%0.58150%0.497SS*.SBendtrans-64.6-40.1178.5-173.6-178.3-171.5-86.7-0.3112.9N17 P18N17-R26 PolarHBondContact OD1-N 3.05Å; P18-R26 HydrophobicContact CG-CB 3.85Å; P18-R26 HydrophobicContact CG-CG 4.48Å; P18-R26 WeakPolarHBondContact O-CB 3.44Å; P18-R26 PolarHBondContact O-N 3.38Å
27Y96.6Very high94.5Very high68 Ų6894.6 Ų94.627%0.26749%0.494SS..SBendtrans-97.4143.1-175.9-60.4-66.1000112N17 P18 M32N17-Y27 PolarHBondContact ND2-O 3.32Å; N17-Y27 WeakPolarHBondContact OD1-CD2 3.41Å; N17-Y27 PolarHBondContact OD1-N 3.48Å; P18-Y27 HydrophobicContact CG-CE2 4.08Å; Y27-M32 HydrophobicContact CD2-SD 4.22Å
28S95.8Very high94.3Very high70 Ų7096.1 Ų96.149%0.4950%0.501SS..  trans-68.7169.3172.670.40000112.5S30 M32S28-S30 PolarHBondContact O-N 3.48Å; S28-S30 PolarHBondContact OG-OG 3.45Å; S28-M32 WeakPolarHBondContact O-CB 3.35Å; S28-M32 WeakPolarHBondContact O-CG 3.44Å; S28-M32 PolarHBondContact O-N 3.48Å
29R94.9Very high94Very high233 Ų23398.6 Ų98.688%0.87950%0.503SS*.Hα-helixtrans-61.6-42.9-178.1-173175.8177.4177.9-2112.9M32 Y33R29-M32 PolarHBondContact O-N 3.48Å; R29-Y33 WeakPolarHBondContact O-CB 3.47Å; R29-Y33 PolarHBondContact O-N 3.2Å
30S95.6Very high93.8Very high90 Ų90100.9 Ų100.963%0.62950%0.504SS*.Hα-helixtrans-67.3-46.4179.751.60000111.8S28 M32 Y33 A34S28-S30 PolarHBondContact O-N 3.48Å; S28-S30 PolarHBondContact OG-OG 3.45Å; S30-M32 VanDerWaalsContact C-N 3.31Å; S30-M32 PolarHBondContact O-N 3.24Å; S30-Y33 WeakPolarHBondContact O-CB 3.47Å; S30-Y33 PolarHBondContact O-N 3.42Å; S30-Y33 VanDerWaalsContact O-N 3.13Å; S30-A34 PolarHBondContact O-N 3.42Å; S30-A34 VanDerWaalsContact O-N 3.11Å
31A95.5Very high93.3Very high34 Ų34101.5 Ų101.528%0.28150%0.497SS..Hα-helixtrans-58.3-43.9174.100000111.2Y33 A34 R35A31-Y33 VanDerWaalsContact C-N 3.35Å; A31-Y33 PolarHBondContact O-N 3.48Å; A31-A34 PolarHBondContact O-N 3.13Å; A31-R35 WeakPolarHBondContact O-CB 3.04Å; A31-R35 WeakPolarHBondContact O-CG 3.1Å; A31-R35 PolarHBondContact O-N 2.94Å
32M95.1Very high92.6Very high29 Ų29107 Ų10714%0.14351%0.512CS..Hα-helixtrans-66.2-33.2176.5-80-60-61.500113.7R16 N17 Y27 S28 R29 S30 R36R16-M32 HydrophobicContact CB-CE 4.05Å; N17-M32 HydrophobicContact CB-CE 3.86Å; N17-M32 HydrophobicContact CB-CG 4.29Å; N17-M32 HydrophobicContact CB-SD 3.61Å; Y27-M32 HydrophobicContact CD2-SD 4.22Å; S28-M32 WeakPolarHBondContact O-CB 3.35Å; S28-M32 WeakPolarHBondContact O-CG 3.44Å; S28-M32 PolarHBondContact O-N 3.48Å; R29-M32 PolarHBondContact O-N 3.48Å; S30-M32 VanDerWaalsContact C-N 3.31Å; S30-M32 PolarHBondContact O-N 3.24Å; M32-R36 HydrophobicContact CE-CG 4.14Å; M32-R36 VanDerWaalsContact O-CB 3.27Å; M32-R36 WeakPolarHBondContact O-CB 3.3Å; M32-R36 VanDerWaalsContact O-CG 3.27Å; M32-R36 WeakPolarHBondContact O-CG 3.26Å; M32-R36 PolarHBondContact O-N 2.93Å
33Y93.6Very high91.7Very high116 Ų116101.1 Ų101.146%0.45550%0.504SS..Hα-helixtrans-61.9-48.4174.8179-91.8000111.2R29 S30 A31 R36 A37 M38 Y39R29-Y33 WeakPolarHBondContact O-CB 3.47Å; R29-Y33 PolarHBondContact O-N 3.2Å; S30-Y33 WeakPolarHBondContact O-CB 3.47Å; S30-Y33 PolarHBondContact O-N 3.42Å; S30-Y33 VanDerWaalsContact O-N 3.13Å; A31-Y33 VanDerWaalsContact C-N 3.35Å; A31-Y33 PolarHBondContact O-N 3.48Å; Y33-R36 PolarHBondContact O-N 3.19Å; Y33-A37 PolarHBondContact O-N 3.4Å; Y33-M38 HydrophobicContact CD2-CB 3.5Å; Y33-M38 HydrophobicContact CD2-CG 4.15Å; Y33-M38 HydrophobicContact CE2-CB 3.39Å; Y33-M38 HydrophobicContact CE2-CG 4.42Å; Y33-M38 HydrophobicContact CG-CB 4.11Å; Y33-M38 PolarHBondContact O-N 3.11Å; Y33-M38 VanDerWaalsContact O-N 3.13Å; Y33-Y39 HydrophobicContact CE1-CD1 4.43Å; Y33-Y39 WeakPolarHBondContact OH-CA 3.03Å; Y33-Y39 PolarHBondContact OH-N 2.93Å
34A93.8Very high90.5Very high55 Ų55106.8 Ų106.846%0.45551%0.505SS..Hα-helixtrans-63.7-47.9175.800000111.9S30 A31 R36 A37S30-A34 PolarHBondContact O-N 3.42Å; S30-A34 VanDerWaalsContact O-N 3.11Å; A31-A34 PolarHBondContact O-N 3.13Å; A34-R36 VanDerWaalsContact C-N 3.26Å; A34-R36 PolarHBondContact O-N 3.27Å; A34-A37 WeakPolarHBondContact O-CA 3.48Å; A34-A37 PolarHBondContact O-N 3.46Å
35R91.6Very high88.7Confident128 Ų128107.7 Ų107.748%0.48352%0.515SS..Hα-helixtrans-62.3-29.8178.2-70.5174.774.478.42.9113.6A31A31-R35 WeakPolarHBondContact O-CB 3.04Å; A31-R35 WeakPolarHBondContact O-CG 3.1Å; A31-R35 PolarHBondContact O-N 2.94Å
36R91.1Very high87Confident126 Ų126111 Ų11148%0.47553%0.529SS..THydrogen-bonded Turntrans-82.7-4.4173.7-73.217767.1177.71.3112.9M32 Y33 A34 M38M32-R36 HydrophobicContact CE-CG 4.14Å; M32-R36 VanDerWaalsContact O-CB 3.27Å; M32-R36 WeakPolarHBondContact O-CB 3.3Å; M32-R36 VanDerWaalsContact O-CG 3.27Å; M32-R36 WeakPolarHBondContact O-CG 3.26Å; M32-R36 PolarHBondContact O-N 2.93Å; Y33-R36 PolarHBondContact O-N 3.19Å; A34-R36 VanDerWaalsContact C-N 3.26Å; A34-R36 PolarHBondContact O-N 3.27Å; R36-M38 HydrophobicContact CB-CG 3.68Å; R36-M38 HydrophobicContact CB-SD 4.2Å; R36-M38 PolarHBondContact O-N 2.93Å
37A92.3Very high85.2Confident27 Ų27112.3 Ų112.322%0.22354%0.542CS..THydrogen-bonded Turntrans50.236.5-172.600000112.2Y33 A34 Y39 K40 R41Y33-A37 PolarHBondContact O-N 3.4Å; A34-A37 WeakPolarHBondContact O-CA 3.48Å; A34-A37 PolarHBondContact O-N 3.46Å; A37-Y39 HydrophobicContact CB-CE1 4.17Å; A37-Y39 PolarHBondContact O-N 3.37Å; A37-K40 PolarHBondContact O-N 2.98Å; A37-R41 PolarHBondContact O-N 3.13Å; A37-R41 VanDerWaalsContact O-N 3.15Å
38M89.4Confident83.2Confident64 Ų64115.6 Ų115.632%0.31557%0.569SS.*THydrogen-bonded Turntrans-62.4-26.8-176.8-70.3-61.7-61.900111.8Y33 R36 K40 R41Y33-M38 HydrophobicContact CD2-CB 3.5Å; Y33-M38 HydrophobicContact CD2-CG 4.15Å; Y33-M38 HydrophobicContact CE2-CB 3.39Å; Y33-M38 HydrophobicContact CE2-CG 4.42Å; Y33-M38 HydrophobicContact CG-CB 4.11Å; Y33-M38 PolarHBondContact O-N 3.11Å; Y33-M38 VanDerWaalsContact O-N 3.13Å; R36-M38 HydrophobicContact CB-CG 3.68Å; R36-M38 HydrophobicContact CB-SD 4.2Å; R36-M38 PolarHBondContact O-N 2.93Å; M38-K40 VanDerWaalsContact C-N 3.27Å; M38-K40 PolarHBondContact O-N 3.04Å; M38-R41 CarbonylContact O-C 3.56Å; M38-R41 PolarHBondContact O-N 2.89Å; M38-R41 VanDerWaalsContact O-N 3.15Å
39Y88.5Confident81.1Confident114 Ų114122 Ų12245%0.44759%0.588SS.*THydrogen-bonded Turntrans-61.3-31.2173.862.3-87.2000113.6Y33 A37Y33-Y39 HydrophobicContact CE1-CD1 4.43Å; Y33-Y39 WeakPolarHBondContact OH-CA 3.03Å; Y33-Y39 PolarHBondContact OH-N 2.93Å; A37-Y39 HydrophobicContact CB-CE1 4.17Å; A37-Y39 PolarHBondContact O-N 3.37Å
40K90.6Very high79.1Confident161 Ų161116.3 Ų116.370%0.757%0.574SS**THydrogen-bonded Turntrans-87.4-26.4173.3-54.2-167.2178.4-175.60112.2A37 M38 K42A37-K40 PolarHBondContact O-N 2.98Å; M38-K40 VanDerWaalsContact C-N 3.27Å; M38-K40 PolarHBondContact O-N 3.04Å; K40-K42 VanDerWaalsContact C-N 3.29Å; K40-K42 PolarHBondContact O-N 3.06Å
41R83.3Confident77.4Confident145 Ų145120.4 Ų120.455%0.54758%0.583SS.*  trans-94.848.9-178.4-61.3178.4178.4-160-4111.4A37 M38 T43A37-R41 PolarHBondContact O-N 3.13Å; A37-R41 VanDerWaalsContact O-N 3.15Å; M38-R41 CarbonylContact O-C 3.56Å; M38-R41 PolarHBondContact O-N 2.89Å; M38-R41 VanDerWaalsContact O-N 3.15Å; R41-T43 PolarHBondContact O-N 2.87Å
42K80.5Confident75.7Confident165 Ų165128.2 Ų128.272%0.71761%0.611SS**  trans-74.9109.8168.9-63.5-176.7-175.4-178.60106.9K40 K44K40-K42 VanDerWaalsContact C-N 3.29Å; K40-K42 PolarHBondContact O-N 3.06Å; K42-K44 PolarHBondContact O-N 3.35Å; K42-K44 VanDerWaalsContact O-N 3.11Å
43T75.8Confident73.8Confident126 Ų126136 Ų13677%0.77364%0.644SS**  trans-64.8111.5166.4450000106.5R41 T45R41-T43 PolarHBondContact O-N 2.87Å; T43-T45 VanDerWaalsContact C-N 3.34Å; T43-T45 PolarHBondContact O-N 2.95Å
44K67.9Low72.4Confident203 Ų203138 Ų13888%0.88366%0.662SS**  trans-59.3106.9161.8-72.5-173.5178.7-175.40105.1K42 T46K42-K44 PolarHBondContact O-N 3.35Å; K42-K44 VanDerWaalsContact O-N 3.11Å; K44-T46 PolarHBondContact O-N 3.31Å
45T58.8Low71.1Confident122 Ų122144.7 Ų144.775%0.74868%0.68SS**  trans-58.2109.6168.4-34.30000104.5T43 E47T43-T45 VanDerWaalsContact C-N 3.34Å; T43-T45 PolarHBondContact O-N 2.95Å; T45-E47 PolarHBondContact O-N 2.99Å
46T60.9Low70.1Confident102 Ų102145.3 Ų145.363%0.62670%0.698SS**  trans-56.5114.6166.436.80000105.8K44 T48 I50K44-T46 PolarHBondContact O-N 3.31Å; T46-T48 PolarHBondContact O-N 3.43Å; T46-I50 HydrophobicContact CG2-CD1 4.44Å
47E57.6Low69.3Low180 Ų180148.2 Ų148.284%0.84171%0.714SS**  trans-47.4127.5173.5-68.4178.117500108.1T45 K49T45-E47 PolarHBondContact O-N 2.99Å; E47-K49 VanDerWaalsContact C-N 3.28Å; E47-K49 PolarHBondContact O-N 3.36Å
48T54.6Low68.7Low137 Ų137153 Ų15384%0.8474%0.741SS**SBendtrans-7083.4-172.142.90000110.5T46T46-T48 PolarHBondContact O-N 3.43Å
49K52.3Low68.4Low205 Ų205154.4 Ų154.489%0.89176%0.755SS**  trans-127.219.9149.5-84.5-170.6178.81790111.9E47 E51E47-K49 VanDerWaalsContact C-N 3.28Å; E47-K49 PolarHBondContact O-N 3.36Å; K49-E51 PolarHBondContact O-N 2.98Å
50I52.6Low68.2Low113 Ų113153.2 Ų153.258%0.57976%0.763SS**SBendtrans-84.6101.3161.8-58.7173.2000104.9T46 K52T46-I50 HydrophobicContact CG2-CD1 4.44Å; I50-K52 PolarHBondContact O-N 3.11Å; I50-K52 VanDerWaalsContact O-N 3.14Å
51E59.8Low68.3Low176 Ų176148.2 Ų148.282%0.82275%0.746SS**  trans-32.6122.7165.5-65.6178.9160.100108.3K49 K53K49-E51 PolarHBondContact O-N 2.98Å; E51-K53 PolarHBondContact O-N 3.44Å
52K58.8Low68.6Low199 Ų199145.2 Ų145.287%0.86574%0.74SS**  trans-43.3106.3178.8-77.7171.8178.8166.10106.9I50 L54I50-K52 PolarHBondContact O-N 3.11Å; I50-K52 VanDerWaalsContact O-N 3.14Å; K52-L54 VanDerWaalsContact C-N 3.27Å; K52-L54 PolarHBondContact O-N 3.36Å
53K57.1Low69.1Low193 Ų193141.5 Ų141.584%0.83973%0.731SS**  trans-51.9103.3173.8-90.2-175.4176.2-179.60105.1E51 K55E51-K53 PolarHBondContact O-N 3.44Å; K53-K55 PolarHBondContact O-N 3.02Å
54L62.4Low69.7Low157 Ų157141.1 Ų141.182%0.82272%0.719SS**  trans-56.6109.6-177.7-86155.5000104K52 V56K52-L54 VanDerWaalsContact C-N 3.27Å; K52-L54 PolarHBondContact O-N 3.36Å; L54-V56 PolarHBondContact O-N 3.24Å
55K67.1Low70.5Confident195 Ų195137.3 Ų137.385%0.84871%0.713SS**  trans-50.9114.4174.9-83.5179.9174.9176.60105.4K53 K57K53-K55 PolarHBondContact O-N 3.02Å; K55-K57 PolarHBondContact O-N 3.15Å
56V70.9Confident71.6Confident142 Ų142133.8 Ų133.886%0.86169%0.691SS**  trans-51.9105.5-180177.70000106.2L54 T58L54-V56 PolarHBondContact O-N 3.24Å; V56-T58 PolarHBondContact O-N 2.87Å
57K74.3Confident72.5Confident187 Ų187132.1 Ų132.181%0.81369%0.694SS**PPolyproline II helixtrans-66.5125.7-179.5-73.4-179.9-178.7173.50105.5K55K55-K57 PolarHBondContact O-N 3.15Å
58T78.9Confident73.7Confident127 Ų127126 Ų12678%0.77968%0.68SS**PPolyproline II helixtrans-53.2126.7171.148.40000108.3V56 S60V56-T58 PolarHBondContact O-N 2.87Å; T58-S60 PolarHBondContact O-N 3.27Å
59P82.9Confident74.8Confident94 Ų94128 Ų12861%0.6169%0.685SS**PPolyproline II helixtrans-61.1132.7-172.723.8-33.3000109.9T61 M79P59-T61 VanDerWaalsContact C-N 3.31Å; P59-M79 WeakPolarHBondContact O-CE 3.36Å
60S85.9Confident76.2Confident88 Ų88128.3 Ų128.362%0.61569%0.686SS**SBendtrans-81.8-14.3178.949.40000113.5T58 M79T58-S60 PolarHBondContact O-N 3.27Å; S60-M79 PolarHBondContact O-N 3.47Å
61T90.9Very high77.2Confident57 Ų57126.2 Ų126.235%0.3568%0.677SS.*EExtended strand (participates in β ladder)trans-127.3141.1-172.545.40000110.1P59 V76 V77 K78P59-T61 VanDerWaalsContact C-N 3.31Å; T61-V76 VanDerWaalsContact CB-CG1 3.49Å; T61-V76 HydrophobicContact CG2-CG1 3.83Å; T61-V77 CarbonylContact C-O 3.59Å; T61-V77 WeakPolarHBondContact CA-O 3.47Å; T61-K78 HydrophobicContact CG2-CG 4.18Å
62I90.9Very high78Confident82 Ų82121.3 Ų121.342%0.42167%0.673SS.*EExtended strand (participates in β ladder)trans-113.2129.4173.2-63.2173.5000107.4K64 V77 M79I62-K64 HydrophobicContact CG2-CG 4.27Å; I62-K64 PolarHBondContact O-N 3Å; I62-V77 PolarHBondContact N-O 2.98Å; I62-V77 PolarHBondContact O-N 3.23Å; I62-M79 HydrophobicContact CD1-CG 3.45Å; I62-M79 VanDerWaalsContact CD1-CG 3.45Å; I62-M79 HydrophobicContact CD1-SD 3.64Å; I62-M79 HydrophobicContact CG1-CG 3.61Å; I62-M79 HydrophobicContact CG1-SD 3.92Å
63T90.3Very high79Confident87 Ų87113.7 Ų113.753%0.53465%0.651SS.*EExtended strand (participates in β ladder)trans-76.7113.3168.5-52.60000108.3T74 R75T63-T74 HydrophobicContact CG2-CG2 3.95Å; T63-R75 CarbonylContact C-O 3.51Å; T63-R75 WeakPolarHBondContact CA-O 3.39Å
64K87.8Confident80.5Confident118 Ų118108.1 Ų108.151%0.51363%0.633SS.*EExtended strand (participates in β ladder)trans-99.8132.7174.6-67.1-167.1173.6-167.20109I62 T74 R75 V77I62-K64 HydrophobicContact CG2-CG 4.27Å; I62-K64 PolarHBondContact O-N 3Å; K64-T74 CarbonylContact O-C 3.47Å; K64-T74 WeakPolarHBondContact O-CA 3.36Å; K64-R75 PolarHBondContact N-O 3.32Å; K64-R75 PolarHBondContact O-N 3.43Å; K64-V77 HydrophobicContact CB-CG2 4.43Å; K64-V77 HydrophobicContact CD-CB 4.42Å; K64-V77 HydrophobicContact CD-CG2 4.15Å; K64-V77 HydrophobicContact CG-CG2 4.26Å
65T86.3Confident81.6Confident123 Ų123107.4 Ų107.476%0.75562%0.619SS**EExtended strand (participates in β ladder)trans-67.7136.8167.846.30000109.3G73 T74T65-G73 CarbonylContact C-O 3.46Å; T65-G73 WeakPolarHBondContact CA-O 3.45Å; T65-T74 HydrophobicContact CG2-CG2 3.97Å
66V80.4Confident82.7Confident47 Ų47102.8 Ų102.829%0.28561%0.608SS.*  trans-119.8125.4179.4-179.10000107.6G73 R75V66-G73 PolarHBondContact N-O 3.4Å; V66-R75 HydrophobicContact CB-CG 4.3Å; V66-R75 HydrophobicContact CG2-CB 3.79Å; V66-R75 HydrophobicContact CG2-CG 3.41Å; V66-R75 VanDerWaalsContact CG2-CG 3.41Å
67G81.5Confident83.6Confident67 Ų6798.1 Ų98.169%0.69158%0.579SS**  trans-74.6155-17800000113.5N71G67-N71 PolarHBondContact O-ND2 3.12Å
68G82.3Confident84.4Confident53 Ų5395.7 Ų95.755%0.54657%0.569SS.*SBendtrans116131.917600000113.1K70 N71G68-K70 PolarHBondContact O-N 3.48Å; G68-N71 WeakPolarHBondContact O-CB 3.3Å; G68-N71 PolarHBondContact O-N 3.38Å
69D76.9Confident84.9Confident177 Ų17794.9 Ų94.995%0.94756%0.557SS**THydrogen-bonded Turntrans-63.9-18.6-167.7-55.7-31.2000114.4
70K82.1Confident85.3Confident212 Ų212101.3 Ų101.392%0.92257%0.57SS**THydrogen-bonded Turntrans-112.913.3177.9-60.2-176.8-178.5179.10114G68G68-K70 PolarHBondContact O-N 3.48Å
71N73.5Confident85.6Confident70 Ų70105.7 Ų105.737%0.37458%0.577SS.*SBendtrans-105.28.5-167.4-143.4-6.5000115.1G67 G68 G73G67-N71 PolarHBondContact O-ND2 3.12Å; G68-N71 WeakPolarHBondContact O-CB 3.3Å; G68-N71 PolarHBondContact O-N 3.38Å; N71-G73 VanDerWaalsContact C-N 3.3Å; N71-G73 PolarHBondContact O-N 3.16Å
72G76.7Confident85.7Confident73 Ų73109.4 Ų109.475%0.75359%0.592SS**  trans73.212.6170.300000116T74G72-T74 VanDerWaalsContact C-N 3.27Å; G72-T74 PolarHBondContact O-N 3.25Å
73G79.8Confident85.9Confident38 Ų38109.6 Ų109.639%0.39260%0.599SS.*SBendtrans75.2-44.1163.800000117.1T65 V66 N71T65-G73 CarbonylContact C-O 3.46Å; T65-G73 WeakPolarHBondContact CA-O 3.45Å; V66-G73 PolarHBondContact N-O 3.4Å; N71-G73 VanDerWaalsContact C-N 3.3Å; N71-G73 PolarHBondContact O-N 3.16Å
74T88.8Confident86.3Confident76 Ų76117.6 Ų117.647%0.46662%0.62SS.*EExtended strand (participates in β ladder)trans-138.7148.3-178.466.60000114.2T63 K64 T65 G72T63-T74 HydrophobicContact CG2-CG2 3.95Å; K64-T74 CarbonylContact O-C 3.47Å; K64-T74 WeakPolarHBondContact O-CA 3.36Å; T65-T74 HydrophobicContact CG2-CG2 3.97Å; G72-T74 VanDerWaalsContact C-N 3.27Å; G72-T74 PolarHBondContact O-N 3.25Å
75R85.3Confident86.7Confident142 Ų142120.6 Ų120.654%0.53663%0.629SS.*EExtended strand (participates in β ladder)trans-130.5134.4173.5-65.8-66.3-176.4165.70.3110.6T63 K64 V66 V77T63-R75 CarbonylContact C-O 3.51Å; T63-R75 WeakPolarHBondContact CA-O 3.39Å; K64-R75 PolarHBondContact N-O 3.32Å; K64-R75 PolarHBondContact O-N 3.43Å; V66-R75 HydrophobicContact CB-CG 4.3Å; V66-R75 HydrophobicContact CG2-CB 3.79Å; V66-R75 HydrophobicContact CG2-CG 3.41Å; V66-R75 VanDerWaalsContact CG2-CG 3.41Å; R75-V77 HydrophobicContact CB-CG2 4.46Å; R75-V77 PolarHBondContact O-N 3.28Å
76V89.9Confident87.1Confident99 Ų99121.4 Ų121.460%0.662%0.619SS**EExtended strand (participates in β ladder)trans-82.7114.6174.8-176.90000109.1T61T61-V76 VanDerWaalsContact CB-CG1 3.49Å; T61-V76 HydrophobicContact CG2-CG1 3.83Å
77V89.6Confident87.8Confident44 Ų44122.3 Ų122.327%0.26763%0.626SS.*EExtended strand (participates in β ladder)trans-116.1131.7-175.9-176.50000110.7T61 I62 K64 R75T61-V77 CarbonylContact C-O 3.59Å; T61-V77 WeakPolarHBondContact CA-O 3.47Å; I62-V77 PolarHBondContact N-O 2.98Å; I62-V77 PolarHBondContact O-N 3.23Å; K64-V77 HydrophobicContact CB-CG2 4.43Å; K64-V77 HydrophobicContact CD-CB 4.42Å; K64-V77 HydrophobicContact CD-CG2 4.15Å; K64-V77 HydrophobicContact CG-CG2 4.26Å; R75-V77 HydrophobicContact CB-CG2 4.46Å; R75-V77 PolarHBondContact O-N 3.28Å
78K92Very high88.6Confident135 Ų135125.9 Ų125.959%0.58764%0.635SS**EExtended strand (participates in β ladder)trans-65.9134.4172.7-66.3-179.4-179.7176.80110.6T61 R80T61-K78 HydrophobicContact CG2-CG 4.18Å; K78-R80 PolarHBondContact O-N 3.19Å
79M89.3Confident89.2Confident110 Ų110131.5 Ų131.554%0.54265%0.647SS.*SBendtrans-67.4-34.3178.2-74.1-168.8-63.500113.6P59 S60 I62P59-M79 WeakPolarHBondContact O-CE 3.36Å; S60-M79 PolarHBondContact O-N 3.47Å; I62-M79 HydrophobicContact CD1-CG 3.45Å; I62-M79 VanDerWaalsContact CD1-CG 3.45Å; I62-M79 HydrophobicContact CD1-SD 3.64Å; I62-M79 HydrophobicContact CG1-CG 3.61Å; I62-M79 HydrophobicContact CG1-SD 3.92Å
80R90.7Very high90.1Very high230 Ų230129.9 Ų129.987%0.86864%0.638SS**SBendtrans-117.7111176.1-67.5-177179177.6-0.1108.3K78K78-R80 PolarHBondContact O-N 3.19Å
81K92.2Very high90.8Very high179 Ų179126.6 Ų126.678%0.77864%0.636SS**PPolyproline II helixtrans-75.4148.1174.3-65.7-175.4178.3-1770109.7
82M93.8Very high91.8Very high135 Ų135127.6 Ų127.667%0.66565%0.653SS**PPolyproline II helixtrans-71.6148175.7-65.8174.371.900110.2
83P95.6Very high92.7Very high87 Ų87135.7 Ų135.757%0.56566%0.661SS**PPolyproline II helixtrans-58.2146.1171.9-21.633.4000111.4
84R97.1Very high93.5Very high255 Ų255143.3 Ų143.396%0.96268%0.683SS**SBendtrans-84.6-26.8175.3-68.2-178.5-179.7168.4-3113
85Y96.4Very high93.8Very high181 Ų181147 Ų14771%0.7170%0.7SS**  trans-114.6137.5-177.8175-97.7000109.8
86Y94.9Very high94.2Very high139 Ų139150.4 Ų150.455%0.54572%0.718SS.*  trans-119.7136.6172.4-67.7-92.4000108.6
87P96.3Very high94.4Very high66 Ų66150.8 Ų150.843%0.42972%0.717SS.*  trans-68153.9171.232.3-34.9000110E89 D90P87-E89 VanDerWaalsContact C-N 3.26Å; P87-E89 PolarHBondContact O-N 3.42Å; P87-D90 WeakPolarHBondContact CG-OD1 3.36Å
88T96.8Very high94.5Very high143 Ų143157.5 Ų157.588%0.87775%0.745SS**SBendtrans-65-33175.6-46.20000111.8
89E96.5Very high94.3Very high170 Ų170154.3 Ų154.379%0.79475%0.75SS**SBendtrans-131139179.1-65.2-176.5173.400111.5P87P87-E89 VanDerWaalsContact C-N 3.26Å; P87-E89 PolarHBondContact O-N 3.42Å
90D95.3Very high94.5Very high144 Ų144157.1 Ų157.177%0.7776%0.759SS**  trans-104.8140175.6-91.8-22.4000111.3P87 A92P87-D90 WeakPolarHBondContact CG-OD1 3.36Å; D90-A92 PolarHBondContact O-N 2.99Å
91V95.7Very high94.7Very high143 Ų143152.4 Ų152.487%0.86775%0.745SS**PPolyproline II helixtrans-78.2123.3172.5-177.80000109.8
92A96.2Very high95Very high90 Ų90147.2 Ų147.274%0.74473%0.73SS**PPolyproline II helixtrans-54.2142.2177.600000112.5D90D90-A92 PolarHBondContact O-N 2.99Å
93R95.6Very high95.1Very high243 Ų243146.7 Ų146.792%0.91772%0.724SS**PPolyproline II helixtrans-67.4138.9-179.2-67.6-177.3-177.5169.83.3111
94K95.4Very high95.1Very high198 Ų198147.2 Ų147.286%0.86173%0.73SS**PPolyproline II helixtrans-64.5143.3174.4-63.6-177.2-179.6-179.60111.4
95L95.1Very high95Very high154 Ų154140.9 Ų140.981%0.80671%0.711SS**PPolyproline II helixtrans-62.1145172.6-60.2177.1000111.4N97L95-N97 PolarHBondContact O-N 2.64Å
96K94.4Very high95Very high214 Ų214136.5 Ų136.593%0.9370%0.697SS**  trans-72.8115.3178.4-69.1-179.1-177.3172.90109.8
97N92.8Very high95.1Very high106 Ų106138.5 Ų138.557%0.56771%0.708SS**  trans-101.9137.1173.6-70.7-51000110.4L95 K100L95-N97 PolarHBondContact O-N 2.64Å; N97-K100 HydrophobicContact CB-CD 4.09Å; N97-K100 PolarHBondContact ND2-NZ 3.07Å
98H92.6Very high95.1Very high186 Ų186138.3 Ų138.386%0.86170%0.699SS**SBendtrans-88.3156.417274.2-83000111K100H98-K100 VanDerWaalsContact C-N 3.3Å; H98-K100 PolarHBondContact O-N 2.91Å; H98-K100 VanDerWaalsContact O-N 3.15Å
99G88.8Confident95.1Very high68 Ų68136.8 Ų136.870%0.70169%0.686SS**SBendtrans81.5-17.8170.900000117.3K101G99-K101 PolarHBondContact O-N 3.22Å; G99-K101 VanDerWaalsContact O-N 3.12Å
100K93.4Very high95.1Very high168 Ų168131.5 Ų131.573%0.7366%0.663SS**  trans-74102.9175.7-64.2-176.2-177.5173.70110.5N97 H98N97-K100 HydrophobicContact CB-CD 4.09Å; N97-K100 PolarHBondContact ND2-NZ 3.07Å; H98-K100 VanDerWaalsContact C-N 3.3Å; H98-K100 PolarHBondContact O-N 2.91Å; H98-K100 VanDerWaalsContact O-N 3.15Å
101K94.8Very high95.2Very high131 Ų131129.7 Ų129.757%0.5765%0.645SS**  trans-98.5146.7177.7-66.1-176.3-177.5-177.40111.3G99 Q105 H106G99-K101 PolarHBondContact O-N 3.22Å; G99-K101 VanDerWaalsContact O-N 3.12Å; K101-Q105 HydrophobicContact CB-CB 4.2Å; K101-Q105 HydrophobicContact CD-CB 4.35Å; K101-H106 PolarHBondContact O-NE2 2.72Å
102P96.8Very high95.2Very high71 Ų71127.6 Ų127.646%0.46164%0.643SS.*  trans-64.4155.9171.429.4-35.5000110.6S104 Q105 H106P102-S104 PolarHBondContact O-N 2.97Å; P102-S104 VanDerWaalsContact O-N 3.07Å; P102-Q105 HydrophobicContact CG-CB 4.41Å; P102-Q105 HydrophobicContact CG-CG 4Å; P102-Q105 PolarHBondContact O-N 2.95Å; P102-H106 PolarHBondContact O-CD2 2.79Å
103F96.4Very high95.3Very high124 Ų124126.8 Ų126.854%0.54463%0.629SS.*G310 helixtrans-52.9-35.1-177.4177-102.7000113.3Q105 H106 R108 S140F103-Q105 PolarHBondContact O-N 2.89Å; F103-H106 AromaticContact CD2-ND1 3.85Å; F103-H106 WeakPolarHBondContact O-CB 3.27Å; F103-H106 PolarHBondContact O-N 2.73Å; F103-R108 PolarHBondContact O-NH2 3.44Å; F103-S140 WeakPolarHBondContact CZ-O 3.36Å
104S95.6Very high95.4Very high97 Ų97115.5 Ų115.568%0.67859%0.586SS**G310 helixtrans-60.6-24.2178.653.10000114.2P102P102-S104 PolarHBondContact O-N 2.97Å; P102-S104 VanDerWaalsContact O-N 3.07Å
105Q96.1Very high95.5Very high122 Ų122108.2 Ų108.257%0.5756%0.559SS**G310 helixtrans-101.22-178.5-65.3179.28.200113.5K101 P102 F103K101-Q105 HydrophobicContact CB-CB 4.2Å; K101-Q105 HydrophobicContact CD-CB 4.35Å; P102-Q105 HydrophobicContact CG-CB 4.41Å; P102-Q105 HydrophobicContact CG-CG 4Å; P102-Q105 PolarHBondContact O-N 2.95Å; F103-Q105 PolarHBondContact O-N 2.89Å
106H96.7Very high95.6Very high90 Ų90105 Ų10542%0.41755%0.547SS..SBendtrans-72.8142.2178.3-69.7179.9000110.6K101 P102 F103K101-H106 PolarHBondContact O-NE2 2.72Å; P102-H106 PolarHBondContact O-CD2 2.79Å; F103-H106 AromaticContact CD2-ND1 3.85Å; F103-H106 WeakPolarHBondContact O-CB 3.27Å; F103-H106 PolarHBondContact O-N 2.73Å
107K95.4Very high95.7Very high180 Ų18094.8 Ų94.878%0.78350%0.502SS*.PPolyproline II helixtrans-67.3135.6172.4-172.7177.9177-177.70109.5
108R96.8Very high95.9Very high62 Ų6289.7 Ų89.723%0.23448%0.475CS..PPolyproline II helixtrans-94129.2171.2-53.7-51.8176-143.5-7.7109F103 S139 S140F103-R108 PolarHBondContact O-NH2 3.44Å; R108-S139 PolarHBondContact NE-O 3.46Å; R108-S139 VanDerWaalsContact NE-O 3.15Å; R108-S140 VanDerWaalsContact NE-C 3.27Å; R108-S140 PolarHBondContact NE-O 2.9Å; R108-S140 VanDerWaalsContact NE-O 3.11Å
109N96.1Very high96.2Very high111 Ų11180.9 Ų80.959%0.59443%0.434SS*.  trans-114.4144.5174.2-61.1-28.3000107.8Q137 Q161N109-Q137 PolarHBondContact O-NE2 2.93Å; N109-Q161 PolarHBondContact O-OE1 3.16Å
110L97.4Very high96.7Very high59 Ų5977.6 Ų77.631%0.30940%0.401SS..  trans-119.1141.3174.9-171.660.9000108.2I114 F134 L143L110-I114 HydrophobicContact CD1-CB 4.02Å; L110-I114 HydrophobicContact CD1-CD1 4.24Å; L110-I114 HydrophobicContact CD1-CG2 3.94Å; L110-I114 HydrophobicContact CD2-CB 4.47Å; L110-I114 HydrophobicContact CD2-CG2 4.31Å; L110-I114 WeakPolarHBondContact CD2-O 3.27Å; L110-I114 HydrophobicContact CG-CB 4.15Å; L110-I114 HydrophobicContact CG-CG2 4.34Å; L110-F134 HydrophobicContact CD2-CE1 4.18Å; L110-F134 HydrophobicContact CD2-CZ 4.08Å; L110-L143 HydrophobicContact CD1-CD2 3.47Å; L110-L143 VanDerWaalsContact CD1-CD2 3.47Å
111R97.2Very high96.9Very high106 Ų10669.7 Ų69.740%0.437%0.367SS..  trans-63.4139.3173.9-86.216274.8-162.54.9108.7T113 I114 V164R111-T113 PolarHBondContact O-N 3.35Å; R111-I114 HydrophobicContact CB-CD1 4.18Å; R111-I114 HydrophobicContact CB-CG1 4.24Å; R111-I114 PolarHBondContact O-N 2.99Å; R111-V164 PolarHBondContact NH1-O 2.98Å
112A96.6Very high97Very high99 Ų9963.8 Ų63.882%0.81834%0.341SS*.THydrogen-bonded Turntrans-59.4-30.3-179.600000113.3I114A112-I114 PolarHBondContact O-N 3.28Å
113T97.2Very high97.1Very high74 Ų7464.1 Ų64.145%0.45434%0.339SS..THydrogen-bonded Turntrans-67.1-18.9176.657.40000113.5R111 T115R111-T113 PolarHBondContact O-N 3.35Å; T113-T115 PolarHBondContact O-N 2.91Å
114I97.6Very high97.1Very high5 Ų561.5 Ų61.53%0.02633%0.333CS..  trans-97.595.9-178.7-56.6175.6000108.6L110 R111 A112 L120 F134 L143 Q161 A166L110-I114 HydrophobicContact CD1-CB 4.02Å; L110-I114 HydrophobicContact CD1-CD1 4.24Å; L110-I114 HydrophobicContact CD1-CG2 3.94Å; L110-I114 HydrophobicContact CD2-CB 4.47Å; L110-I114 HydrophobicContact CD2-CG2 4.31Å; L110-I114 WeakPolarHBondContact CD2-O 3.27Å; L110-I114 HydrophobicContact CG-CB 4.15Å; L110-I114 HydrophobicContact CG-CG2 4.34Å; R111-I114 HydrophobicContact CB-CD1 4.18Å; R111-I114 HydrophobicContact CB-CG1 4.24Å; R111-I114 PolarHBondContact O-N 2.99Å; A112-I114 PolarHBondContact O-N 3.28Å; I114-L120 HydrophobicContact CG1-CD2 4.29Å; I114-L120 HydrophobicContact CG2-CD2 4.46Å; I114-F134 HydrophobicContact CG2-CD1 3.56Å; I114-F134 HydrophobicContact CG2-CD2 4.23Å; I114-F134 HydrophobicContact CG2-CE1 3.64Å; I114-F134 HydrophobicContact CG2-CE2 4.3Å; I114-F134 HydrophobicContact CG2-CG 3.86Å; I114-F134 HydrophobicContact CG2-CZ 4.01Å; I114-L143 HydrophobicContact CD1-CD1 4.05Å; I114-L143 HydrophobicContact CG2-CD1 4.48Å; I114-Q161 HydrophobicContact CD1-CG 3.73Å; I114-A166 HydrophobicContact CG1-CB 3.74Å
115T97.1Very high97.1Very high46 Ų4659 Ų5928%0.28232%0.322SS..  trans-108.6151.4171.660.80000110.3T113 G117 T118 F134 K170T113-T115 PolarHBondContact O-N 2.91Å; T115-G117 PolarHBondContact O-N 3.08Å; T115-T118 PolarHBondContact N-OG1 3.11Å; T115-T118 VanDerWaalsContact O-CB 3.24Å; T115-T118 WeakPolarHBondContact O-CB 3.4Å; T115-T118 PolarHBondContact O-N 3.43Å; T115-T118 PolarHBondContact O-OG1 3.36Å; T115-T118 PolarHBondContact OG1-OG1 2.89Å; T115-F134 WeakPolarHBondContact O-CD1 3.2Å; T115-K170 WeakPolarHBondContact OG1-CE 3.47Å; T115-K170 PolarHBondContact OG1-NZ 3.02Å
116P97.2Very high97Very high85 Ų8564 Ų6455%0.55234%0.336SS*.THydrogen-bonded Turntrans-46.4128.3174.9-27.835.9000111.3
117G97Very high97.1Very high0 Ų060.9 Ų60.90%032%0.321CS..THydrogen-bonded Turntrans86.3-2.9-176.100000117.2T115 F134 V171T115-G117 PolarHBondContact O-N 3.08Å; G117-F134 WeakPolarHBondContact CA-O 3.45Å; G117-F134 PolarHBondContact N-O 2.93Å; G117-V171 VanDerWaalsContact CA-O 3.3Å; G117-V171 WeakPolarHBondContact CA-O 3.46Å; G117-V171 PolarHBondContact O-N 2.84Å
118T98.1Very high97.1Very high0 Ų061.3 Ų61.30%032%0.318CS..EExtended strand (participates in β ladder)trans-62.4137.4171.3-53.20000110.4T115 L120 F134 A166 T167T115-T118 PolarHBondContact N-OG1 3.11Å; T115-T118 VanDerWaalsContact O-CB 3.24Å; T115-T118 WeakPolarHBondContact O-CB 3.4Å; T115-T118 PolarHBondContact O-N 3.43Å; T115-T118 PolarHBondContact O-OG1 3.36Å; T115-T118 PolarHBondContact OG1-OG1 2.89Å; T118-L120 HydrophobicContact CG2-CD2 4.36Å; T118-F134 WeakPolarHBondContact O-CB 3.46Å; T118-F134 PolarHBondContact O-N 3.23Å; T118-A166 HydrophobicContact CG2-CB 4.38Å; T118-T167 VanDerWaalsContact CG2-O 3.24Å; T118-T167 WeakPolarHBondContact CG2-O 3.25Å
119V98.1Very high97.2Very high0 Ų058.8 Ų58.80%031%0.312CS..EExtended strand (participates in β ladder)trans-78.5133.8171.6-176.80000109.3R131 V132 T167 T169 Y240 L241V119-R131 HydrophobicContact CG1-CB 3.99Å; V119-V132 CarbonylContact C-O 3.46Å; V119-V132 WeakPolarHBondContact CA-O 3.42Å; V119-T167 WeakPolarHBondContact CB-OG1 3.45Å; V119-T167 PolarHBondContact O-N 3.45Å; V119-T167 PolarHBondContact O-OG1 3.41Å; V119-T169 HydrophobicContact CG2-CG2 4.19Å; V119-T169 PolarHBondContact N-O 3.45Å; V119-Y240 HydrophobicContact CG1-CE1 4.01Å; V119-L241 HydrophobicContact CG1-CD2 3.84Å; V119-L241 HydrophobicContact CG2-CD2 4.24Å
120L98.5Very high97.3Very high0 Ų056 Ų560%029%0.294CS..EExtended strand (participates in β ladder)trans-120.8136.3-173-67.9-174.4000108.4I114 T118 R131 V132 F134 L143 V145 V164 I165 A166I114-L120 HydrophobicContact CG1-CD2 4.29Å; I114-L120 HydrophobicContact CG2-CD2 4.46Å; T118-L120 HydrophobicContact CG2-CD2 4.36Å; L120-R131 CarbonylContact O-C 3.35Å; L120-R131 WeakPolarHBondContact O-CA 3.1Å; L120-V132 HydrophobicContact CB-CG2 4.01Å; L120-V132 PolarHBondContact N-O 3.25Å; L120-V132 VanDerWaalsContact O-CG2 3.3Å; L120-V132 WeakPolarHBondContact O-CG2 3.47Å; L120-V132 PolarHBondContact O-N 3.02Å; L120-F134 HydrophobicContact CD1-CB 3.6Å; L120-F134 HydrophobicContact CD1-CD2 4.1Å; L120-F134 HydrophobicContact CD1-CG 4.12Å; L120-F134 HydrophobicContact CG-CB 4Å; L120-L143 HydrophobicContact CD1-CD1 3.92Å; L120-V145 HydrophobicContact CD1-CG2 3.91Å; L120-V164 HydrophobicContact CB-CG1 3.48Å; L120-V164 VanDerWaalsContact CB-CG1 3.48Å; L120-V164 HydrophobicContact CD1-CG1 3.93Å; L120-V164 HydrophobicContact CD2-CG1 3.7Å; L120-V164 HydrophobicContact CG-CG1 3.85Å; L120-I165 CarbonylContact C-O 3.56Å; L120-I165 WeakPolarHBondContact CA-O 3.39Å; L120-A166 HydrophobicContact CD2-CB 3.93Å
121V98.2Very high97.3Very high2 Ų254.9 Ų54.91%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-97.3118.8169.4-175.90000108.6L123 R131 V164 I165 T167 F245V121-L123 HydrophobicContact CG1-CD2 4.49Å; V121-R131 HydrophobicContact CG2-CG 4.07Å; V121-V164 VanDerWaalsContact O-CA 3.31Å; V121-V164 WeakPolarHBondContact O-CA 3.42Å; V121-I165 HydrophobicContact CB-CB 4.19Å; V121-I165 PolarHBondContact N-O 3.16Å; V121-I165 PolarHBondContact O-N 3.5Å; V121-T167 HydrophobicContact CG2-CG2 3.96Å; V121-F245 HydrophobicContact CG1-CB 3.65Å; V121-F245 HydrophobicContact CG1-CD1 3.86Å; V121-F245 HydrophobicContact CG1-CG 3.95Å; V121-F245 HydrophobicContact CG2-CB 4.46Å
122L98.2Very high97.4Very high6 Ų649.9 Ų49.93%0.03127%0.267CS..EExtended strand (participates in β ladder)trans-74.7125.9175.2-63.3-179.2000110H127 R128 G129 K130 V132 V154 A159 V164L122-H127 WeakPolarHBondContact CB-O 3.37Å; L122-H127 HydrophobicContact CD1-CB 3.75Å; L122-R128 CarbonylContact O-C 3.53Å; L122-R128 WeakPolarHBondContact O-CA 3.24Å; L122-G129 PolarHBondContact O-N 2.89Å; L122-K130 PolarHBondContact N-O 3.06Å; L122-V132 HydrophobicContact CD1-CG1 4.15Å; L122-V132 HydrophobicContact CD1-CG2 4.08Å; L122-V132 HydrophobicContact CD2-CG2 3.9Å; L122-V132 HydrophobicContact CG-CG1 4.46Å; L122-V132 HydrophobicContact CG-CG2 3.65Å; L122-V154 HydrophobicContact CD1-CG1 4.31Å; L122-A159 HydrophobicContact CD2-CB 3.85Å; L122-V164 HydrophobicContact CD2-CG2 3.89Å
123L97.8Very high97.4Very high79 Ų7945.1 Ų45.141%0.41423%0.228SC..  trans-94-26.3178.7-61.3179.3000113.1V121 F163 I165V121-L123 HydrophobicContact CG1-CD2 4.49Å; L123-F163 WeakPolarHBondContact CB-O 3.35Å; L123-F163 PolarHBondContact N-O 3.26Å; L123-I165 HydrophobicContact CD1-CD1 4.33Å; L123-I165 HydrophobicContact CD1-CG1 3.86Å; L123-I165 HydrophobicContact CD2-CD1 3.82Å; L123-I165 HydrophobicContact CD2-CG1 3.96Å; L123-I165 HydrophobicContact CG-CD1 4.49Å; L123-I165 HydrophobicContact CG-CG1 4.12Å
124T96.4Very high97.5Very high68 Ų6841.8 Ų41.842%0.41721%0.207SC..SBendtrans-123.7156-171.366.90000113.6F163T124-F163 HydrophobicContact CG2-CB 3.82Å; T124-F163 HydrophobicContact CG2-CD1 3.85Å; T124-F163 HydrophobicContact CG2-CG 3.86Å; T124-F163 WeakPolarHBondContact OG1-CB 3.48Å
125G94.8Very high97.4Very high44 Ų4441.7 Ų41.745%0.45421%0.207SC..SBendtrans83.5-168.9178.300000113.9H127 R128G125-H127 PolarHBondContact O-N 3.31Å; G125-H127 VanDerWaalsContact O-N 3.14Å; G125-R128 PolarHBondContact O-N 3.15Å
126R95.8Very high97.4Very high228 Ų22842.2 Ų42.286%0.8621%0.205SC*.THydrogen-bonded Turntrans-60-25.4-176-177.4173.417681.1-0.5113.9
127H97.3Very high97.4Very high24 Ų2441 Ų4111%0.11119%0.192CC..THydrogen-bonded Turntrans-10425.7-176.9-57.6-58.3000112.7L122 G125 K130 R153 V154L122-H127 WeakPolarHBondContact CB-O 3.37Å; L122-H127 HydrophobicContact CD1-CB 3.75Å; G125-H127 PolarHBondContact O-N 3.31Å; G125-H127 VanDerWaalsContact O-N 3.14Å; H127-K130 HydrophobicContact CB-CD 4.09Å; H127-K130 HydrophobicContact CB-CG 4.43Å; H127-K130 WeakPolarHBondContact O-CB 3.24Å; H127-K130 PolarHBondContact O-N 3.27Å; H127-K130 VanDerWaalsContact O-N 3.16Å; H127-R153 PolarHBondContact CE1-O 3.39Å; H127-V154 HydrophobicContact CB-CG1 4.43Å; H127-V154 HydrophobicContact CB-CG2 3.93Å
128R97Very high97.4Very high189 Ų18941.5 Ų41.571%0.71320%0.195SC*.THydrogen-bonded Turntrans-53.9143.617566.7-175.6-176.4-144.90.9111.7L122 G125 K130L122-R128 CarbonylContact O-C 3.53Å; L122-R128 WeakPolarHBondContact O-CA 3.24Å; G125-R128 PolarHBondContact O-N 3.15Å; R128-K130 PolarHBondContact O-N 2.84Å; R128-K130 VanDerWaalsContact O-N 3.15Å
129G97.1Very high97.3Very high10 Ų1046.2 Ų46.210%0.10323%0.228CC..THydrogen-bonded Turntrans74.6-16-175.300000114.6L122 F245L122-G129 PolarHBondContact O-N 2.89Å; G129-F245 WeakPolarHBondContact CA-O 3.44Å; G129-F245 WeakPolarHBondContact O-CB 2.91Å; G129-F245 PolarHBondContact O-N 3.44Å
130K98.1Very high97.2Very high51 Ų5147.4 Ų47.422%0.22224%0.236CC..BIsolated β-bridgetrans-73.4138.9-176.9-61.8-166.4174-167.80111.6L122 H127 R128 N152 V154L122-K130 PolarHBondContact N-O 3.06Å; H127-K130 HydrophobicContact CB-CD 4.09Å; H127-K130 HydrophobicContact CB-CG 4.43Å; H127-K130 WeakPolarHBondContact O-CB 3.24Å; H127-K130 PolarHBondContact O-N 3.27Å; H127-K130 VanDerWaalsContact O-N 3.16Å; R128-K130 PolarHBondContact O-N 2.84Å; R128-K130 VanDerWaalsContact O-N 3.15Å; K130-N152 WeakPolarHBondContact CD-O 3.35Å; K130-N152 PolarHBondContact NZ-O 3.36Å; K130-V154 HydrophobicContact CB-CG2 4.02Å; K130-V154 HydrophobicContact CD-CG2 3.38Å; K130-V154 HydrophobicContact CG-CG2 4.32Å
131R98.3Very high97.1Very high37 Ų3748.1 Ų48.114%0.1424%0.243CC..EExtended strand (participates in β ladder)trans-90.6126.2175.1-70.6160.1-179160.53.7110V119 L120 V121 N152 Y240 L241 S243V119-R131 HydrophobicContact CG1-CB 3.99Å; L120-R131 CarbonylContact O-C 3.35Å; L120-R131 WeakPolarHBondContact O-CA 3.1Å; V121-R131 HydrophobicContact CG2-CG 4.07Å; R131-N152 PolarHBondContact O-ND2 3.5Å; R131-Y240 WeakPolarHBondContact CD-O 3.24Å; R131-Y240 HydrophobicContact CG-CE1 4.43Å; R131-Y240 PolarHBondContact NH1-O 3.02Å; R131-L241 HydrophobicContact CB-CD2 4.11Å; R131-S243 PolarHBondContact NH1-OG 2.81Å
132V98.3Very high97.1Very high0 Ų049.9 Ų49.90%025%0.252CS..EExtended strand (participates in β ladder)trans-141154.8-168.8-66.90000110.1V119 L120 L122 V145 V154V119-V132 CarbonylContact C-O 3.46Å; V119-V132 WeakPolarHBondContact CA-O 3.42Å; L120-V132 HydrophobicContact CB-CG2 4.01Å; L120-V132 PolarHBondContact N-O 3.25Å; L120-V132 VanDerWaalsContact O-CG2 3.3Å; L120-V132 WeakPolarHBondContact O-CG2 3.47Å; L120-V132 PolarHBondContact O-N 3.02Å; L122-V132 HydrophobicContact CD1-CG1 4.15Å; L122-V132 HydrophobicContact CD1-CG2 4.08Å; L122-V132 HydrophobicContact CD2-CG2 3.9Å; L122-V132 HydrophobicContact CG-CG1 4.46Å; L122-V132 HydrophobicContact CG-CG2 3.65Å; V132-V145 HydrophobicContact CB-CG1 3.42Å; V132-V145 VanDerWaalsContact CB-CG1 3.42Å; V132-V145 HydrophobicContact CG1-CG1 4.37Å; V132-V145 HydrophobicContact CG2-CG1 3.16Å; V132-V154 HydrophobicContact CG1-CB 3.93Å; V132-V154 HydrophobicContact CG1-CG1 3.91Å; V132-V154 HydrophobicContact CG1-CG2 3.94Å
133V97.9Very high97.1Very high0 Ų049.6 Ų49.60%025%0.251CS..EExtended strand (participates in β ladder)trans-96.8130.4-174.5-176.40000110.2V145 T146 I173 L227 L241V133-V145 WeakPolarHBondContact O-CA 3.34Å; V133-T146 PolarHBondContact N-O 2.76Å; V133-T146 PolarHBondContact O-N 3.33Å; V133-I173 HydrophobicContact CG1-CD1 3.46Å; V133-I173 VanDerWaalsContact CG1-CD1 3.46Å; V133-L227 HydrophobicContact CB-CD2 4.24Å; V133-L227 HydrophobicContact CG1-CD1 4.44Å; V133-L227 HydrophobicContact CG1-CD2 4.39Å; V133-L227 HydrophobicContact CG2-CD2 4.4Å; V133-L241 HydrophobicContact CG2-CD1 4.31Å; V133-L241 HydrophobicContact CG2-CD2 4.34Å
134F98.3Very high97.1Very high3 Ų345.8 Ų45.81%0.01323%0.231CC..EExtended strand (participates in β ladder)trans-76.6132.9174.1179.7-121.5000111.6L110 I114 T115 G117 T118 L120 K136 Q137 L143 V145L110-F134 HydrophobicContact CD2-CE1 4.18Å; L110-F134 HydrophobicContact CD2-CZ 4.08Å; I114-F134 HydrophobicContact CG2-CD1 3.56Å; I114-F134 HydrophobicContact CG2-CD2 4.23Å; I114-F134 HydrophobicContact CG2-CE1 3.64Å; I114-F134 HydrophobicContact CG2-CE2 4.3Å; I114-F134 HydrophobicContact CG2-CG 3.86Å; I114-F134 HydrophobicContact CG2-CZ 4.01Å; T115-F134 WeakPolarHBondContact O-CD1 3.2Å; G117-F134 WeakPolarHBondContact CA-O 3.45Å; G117-F134 PolarHBondContact N-O 2.93Å; T118-F134 WeakPolarHBondContact O-CB 3.46Å; T118-F134 PolarHBondContact O-N 3.23Å; L120-F134 HydrophobicContact CD1-CB 3.6Å; L120-F134 HydrophobicContact CD1-CD2 4.1Å; L120-F134 HydrophobicContact CD1-CG 4.12Å; L120-F134 HydrophobicContact CG-CB 4Å; F134-K136 VanDerWaalsContact CE2-O 3.26Å; F134-K136 WeakPolarHBondContact CE2-O 3.41Å; F134-Q137 HydrophobicContact CZ-CB 4.37Å; F134-L143 HydrophobicContact CD2-CB 3.9Å; F134-L143 HydrophobicContact CD2-CD1 4.45Å; F134-L143 HydrophobicContact CD2-CD2 4.29Å; F134-L143 HydrophobicContact CD2-CG 4.42Å; F134-L143 HydrophobicContact CE2-CB 3.7Å; F134-L143 HydrophobicContact CE2-CD1 4.48Å; F134-L143 HydrophobicContact CE2-CD2 3.53Å; F134-L143 HydrophobicContact CE2-CG 4.07Å; F134-L143 HydrophobicContact CZ-CD2 4.02Å; F134-V145 HydrophobicContact CD2-CG2 4.36Å
135L96.9Very high97.1Very high3 Ų342.7 Ų42.72%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-104.9-63.2-180-54.5178.6000111.8L144 T146 L156 I173 M176 I178 V223L135-L144 HydrophobicContact CB-CG 4.4Å; L135-L144 HydrophobicContact CD1-CD2 4.31Å; L135-L144 HydrophobicContact CD1-CG 4.19Å; L135-L144 PolarHBondContact N-O 2.77Å; L135-T146 HydrophobicContact CD1-CG2 3.79Å; L135-T146 HydrophobicContact CD2-CG2 3.75Å; L135-T146 HydrophobicContact CG-CG2 4Å; L135-L156 HydrophobicContact CD1-CD2 3.54Å; L135-I173 HydrophobicContact CD2-CD1 4.21Å; L135-M176 HydrophobicContact CD2-CE 3.55Å; L135-I178 HydrophobicContact CB-CD1 3.85Å; L135-V223 HydrophobicContact CD1-CG1 4.13Å
136K96.1Very high97.3Very high58 Ų5840.6 Ų40.625%0.25219%0.19SC..EExtended strand (participates in β ladder)trans-154.6159.3-179.763172-176.61700111.6F134 L144 I178 L182F134-K136 VanDerWaalsContact CE2-O 3.26Å; F134-K136 WeakPolarHBondContact CE2-O 3.41Å; K136-L144 HydrophobicContact CD-CD2 4.42Å; K136-L144 HydrophobicContact CG-CB 4.09Å; K136-L144 HydrophobicContact CG-CD2 3.98Å; K136-L144 WeakPolarHBondContact O-CB 3.48Å; K136-L144 PolarHBondContact O-N 2.84Å; K136-I178 HydrophobicContact CB-CD1 4.24Å; K136-I178 HydrophobicContact CD-CD1 4.45Å; K136-I178 HydrophobicContact CD-CG2 4.01Å; K136-I178 HydrophobicContact CG-CD1 4.28Å; K136-L182 WeakPolarHBondContact CE-O 3.31Å; K136-L182 PolarHBondContact NZ-O 2.91Å
137Q97.1Very high97.3Very high60 Ų6029.7 Ų29.728%0.2815%0.149SC..EExtended strand (participates in β ladder)trans-82.4134.8167.5-168.5175.731.400109.9N109 F134 G141N109-Q137 PolarHBondContact O-NE2 2.93Å; F134-Q137 HydrophobicContact CZ-CB 4.37Å; Q137-G141 PolarHBondContact NE2-O 3Å
138L97.2Very high97.2Very high9 Ų928.6 Ų28.65%0.04714%0.144CC..  trans-85.2166.7174.3-59.7179.4000111.3S140 G141 L142 L144 R158 D184 F187L138-S140 PolarHBondContact O-N 2.77Å; L138-G141 WeakPolarHBondContact O-CA 3.47Å; L138-G141 PolarHBondContact O-N 2.73Å; L138-L142 PolarHBondContact N-O 3.01Å; L138-L144 HydrophobicContact CD2-CB 4.11Å; L138-L144 HydrophobicContact CG-CB 4.16Å; L138-R158 VanDerWaalsContact CD1-CD 3.41Å; L138-R158 HydrophobicContact CD1-CG 3.62Å; L138-D184 WeakPolarHBondContact CB-OD2 3.03Å; L138-F187 HydrophobicContact CD1-CD2 4.3Å
139S95.3Very high97.2Very high100 Ų10022.7 Ų22.770%0.69913%0.126SC*.THydrogen-bonded Turntrans-59.3-29.8-179.362.20000114.1R108 G141 D184R108-S139 PolarHBondContact NE-O 3.46Å; R108-S139 VanDerWaalsContact NE-O 3.15Å; S139-G141 PolarHBondContact O-N 3.09Å; S139-D184 PolarHBondContact N-OD2 3.4Å; S139-D184 PolarHBondContact OG-OD2 3.05Å
140S95.8Very high97.1Very high25 Ų2525.5 Ų25.518%0.17515%0.149CC..THydrogen-bonded Turntrans-70.9-12.1173.663.90000113.9F103 R108 L138 L142 D184F103-S140 WeakPolarHBondContact CZ-O 3.36Å; R108-S140 VanDerWaalsContact NE-C 3.27Å; R108-S140 PolarHBondContact NE-O 2.9Å; R108-S140 VanDerWaalsContact NE-O 3.11Å; L138-S140 PolarHBondContact O-N 2.77Å; S140-L142 VanDerWaalsContact C-N 3.32Å; S140-L142 WeakPolarHBondContact OG-CB 3.47Å; S140-L142 WeakPolarHBondContact OG-CG 3.38Å; S140-L142 PolarHBondContact OG-N 3.15Å; S140-D184 VanDerWaalsContact CB-OD1 3.27Å; S140-D184 WeakPolarHBondContact CB-OD1 3.39Å; S140-D184 WeakPolarHBondContact CB-OD2 3.37Å; S140-D184 PolarHBondContact N-OD2 3.19Å; S140-D184 PolarHBondContact OG-OD1 3.41Å; S140-D184 PolarHBondContact OG-OD2 2.91Å
141G96.7Very high97Very high14 Ų1424.7 Ų24.714%0.14415%0.146CC..SBendtrans89-6.5-171.400000114.2Q137 L138 S139Q137-G141 PolarHBondContact NE2-O 3Å; L138-G141 WeakPolarHBondContact O-CA 3.47Å; L138-G141 PolarHBondContact O-N 2.73Å; S139-G141 PolarHBondContact O-N 3.09Å
142L97.9Very high96.8Very high39 Ų3923.2 Ų23.220%0.20414%0.141CC..PPolyproline II helixtrans-68.5149.6173.5-64.4174.4000110.9L138 S140 R158 H160L138-L142 PolarHBondContact N-O 3.01Å; S140-L142 VanDerWaalsContact C-N 3.32Å; S140-L142 WeakPolarHBondContact OG-CB 3.47Å; S140-L142 WeakPolarHBondContact OG-CG 3.38Å; S140-L142 PolarHBondContact OG-N 3.15Å; L142-R158 HydrophobicContact CB-CB 4.34Å; L142-R158 HydrophobicContact CD1-CB 4.17Å; L142-H160 HydrophobicContact CD2-CB 4.08Å
143L98.2Very high96.8Very high0 Ų031.3 Ų31.30%017%0.172CC..EExtended strand (participates in β ladder)trans-85128177.2-52.1-176.3000109.1L110 I114 L120 F134 V145 R158 A159 Q161L110-L143 HydrophobicContact CD1-CD2 3.47Å; L110-L143 VanDerWaalsContact CD1-CD2 3.47Å; I114-L143 HydrophobicContact CD1-CD1 4.05Å; I114-L143 HydrophobicContact CG2-CD1 4.48Å; L120-L143 HydrophobicContact CD1-CD1 3.92Å; F134-L143 HydrophobicContact CD2-CB 3.9Å; F134-L143 HydrophobicContact CD2-CD1 4.45Å; F134-L143 HydrophobicContact CD2-CD2 4.29Å; F134-L143 HydrophobicContact CD2-CG 4.42Å; F134-L143 HydrophobicContact CE2-CB 3.7Å; F134-L143 HydrophobicContact CE2-CD1 4.48Å; F134-L143 HydrophobicContact CE2-CD2 3.53Å; F134-L143 HydrophobicContact CE2-CG 4.07Å; F134-L143 HydrophobicContact CZ-CD2 4.02Å; L143-V145 HydrophobicContact CB-CG2 3.84Å; L143-R158 CarbonylContact O-C 3.5Å; L143-R158 VanDerWaalsContact O-CA 3.3Å; L143-R158 WeakPolarHBondContact O-CA 3.2Å; L143-A159 PolarHBondContact N-O 3.06Å; L143-A159 PolarHBondContact O-N 3.36Å; L143-Q161 HydrophobicContact CD1-CB 4.17Å; L143-Q161 HydrophobicContact CD2-CB 4.4Å; L143-Q161 HydrophobicContact CG-CB 4.28Å
144L97.9Very high96.7Very high0 Ų031.4 Ų31.40%017%0.172CC..EExtended strand (participates in β ladder)trans-83.8123164.1-179.662.3000108.4L135 K136 L138 L156 I178 L182 F187L135-L144 HydrophobicContact CB-CG 4.4Å; L135-L144 HydrophobicContact CD1-CD2 4.31Å; L135-L144 HydrophobicContact CD1-CG 4.19Å; L135-L144 PolarHBondContact N-O 2.77Å; K136-L144 HydrophobicContact CD-CD2 4.42Å; K136-L144 HydrophobicContact CG-CB 4.09Å; K136-L144 HydrophobicContact CG-CD2 3.98Å; K136-L144 WeakPolarHBondContact O-CB 3.48Å; K136-L144 PolarHBondContact O-N 2.84Å; L138-L144 HydrophobicContact CD2-CB 4.11Å; L138-L144 HydrophobicContact CG-CB 4.16Å; L144-L156 HydrophobicContact CD1-CD2 4.19Å; L144-L156 HydrophobicContact CG-CD2 4.47Å; L144-I178 HydrophobicContact CD2-CG2 4.31Å; L144-L182 HydrophobicContact CD2-CB 4.19Å; L144-L182 HydrophobicContact CD2-CD1 4.15Å; L144-F187 HydrophobicContact CD1-CE1 4.4Å; L144-F187 HydrophobicContact CD1-CE2 3.59Å; L144-F187 HydrophobicContact CD1-CZ 3.5Å
145V97.6Very high96.7Very high2 Ų233.7 Ų33.71%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-133.8143.7-170.6176.90000108.7L120 V132 V133 F134 L143 L156 R157 A159L120-V145 HydrophobicContact CD1-CG2 3.91Å; V132-V145 HydrophobicContact CB-CG1 3.42Å; V132-V145 VanDerWaalsContact CB-CG1 3.42Å; V132-V145 HydrophobicContact CG1-CG1 4.37Å; V132-V145 HydrophobicContact CG2-CG1 3.16Å; V133-V145 WeakPolarHBondContact O-CA 3.34Å; F134-V145 HydrophobicContact CD2-CG2 4.36Å; L143-V145 HydrophobicContact CB-CG2 3.84Å; V145-L156 WeakPolarHBondContact O-CA 3.33Å; V145-R157 PolarHBondContact N-O 3.35Å; V145-R157 PolarHBondContact O-N 2.87Å; V145-A159 HydrophobicContact CG2-CB 4.08Å
146T97.6Very high96.7Very high0 Ų034.3 Ų34.30%019%0.191CC..EExtended strand (participates in β ladder)trans-130.7133.1169.7-170.10000109V133 L135 Q220 V223 D224 L227V133-T146 PolarHBondContact N-O 2.76Å; V133-T146 PolarHBondContact O-N 3.33Å; L135-T146 HydrophobicContact CD1-CG2 3.79Å; L135-T146 HydrophobicContact CD2-CG2 3.75Å; L135-T146 HydrophobicContact CG-CG2 4Å; T146-Q220 PolarHBondContact OG1-NE2 3.01Å; T146-V223 HydrophobicContact CG2-CG1 4.42Å; T146-D224 PolarHBondContact OG1-OD1 3.05Å; T146-L227 HydrophobicContact CG2-CD2 3.42Å; T146-L227 VanDerWaalsContact CG2-CD2 3.42Å
147G96.6Very high96.7Very high0 Ų036.1 Ų36.10%020%0.196CC..EExtended strand (participates in β ladder)trans-104.7108.6159.500000106L149 N152 V154G147-L149 WeakPolarHBondContact O-CA 3.32Å; G147-L149 PolarHBondContact O-N 2.91Å; G147-N152 WeakPolarHBondContact CA-ND2 3.28Å; G147-N152 VanDerWaalsContact CA-OD1 3.25Å; G147-N152 WeakPolarHBondContact CA-OD1 3.33Å; G147-N152 PolarHBondContact O-OD1 2.9Å; G147-V154 CarbonylContact C-O 3.58Å; G147-V154 PolarHBondContact N-O 2.92Å; G147-V154 CarbonylContact O-C 3.54Å
148P95.9Very high96.7Very high0 Ų036.3 Ų36.30%019%0.194CC..  trans-40.6119.5-169.2-27.727.9000110.9A150 L151 N152 L227 L228 I231P148-A150 PolarHBondContact O-N 3.39Å; P148-L151 HydrophobicContact CB-CD1 4.13Å; P148-L151 HydrophobicContact CB-CG 4.23Å; P148-L151 HydrophobicContact CG-CD1 4.2Å; P148-L151 PolarHBondContact O-N 3.29Å; P148-N152 PolarHBondContact O-N 3.33Å; P148-L227 HydrophobicContact CG-CD2 4Å; P148-L227 HydrophobicContact CG-CG 4.46Å; P148-L228 HydrophobicContact CB-CD2 3.76Å; P148-L228 HydrophobicContact CB-CG 4.35Å; P148-L228 HydrophobicContact CG-CD2 4.41Å; P148-I231 HydrophobicContact CG-CD1 3.39Å
149L96.6Very high96.7Very high66 Ų6636.3 Ų36.335%0.34620%0.195SC..Hα-helixtrans-59.9-31.8-158-174.771.6000111.2G147 L151 R153 P155 Q220 D224G147-L149 WeakPolarHBondContact O-CA 3.32Å; G147-L149 PolarHBondContact O-N 2.91Å; L149-L151 VanDerWaalsContact C-N 3.31Å; L149-L151 PolarHBondContact O-N 2.99Å; L149-R153 WeakPolarHBondContact O-CA 3.26Å; L149-R153 WeakPolarHBondContact O-CD 3.3Å; L149-R153 PolarHBondContact O-N 3.32Å; L149-P155 HydrophobicContact CD1-CB 4.17Å; L149-Q220 HydrophobicContact CB-CG 4.11Å; L149-Q220 HydrophobicContact CD2-CG 4.2Å; L149-D224 WeakPolarHBondContact CB-OD2 3.27Å; L149-D224 PolarHBondContact N-OD2 2.95Å
150A94.8Very high96.8Very high69 Ų6935.5 Ų35.557%0.5718%0.18SC*.Hα-helixtrans-63.4-29.117500000114.3P148P148-A150 PolarHBondContact O-N 3.39Å
151L95.4Very high96.9Very high33 Ų3335.9 Ų35.917%0.17318%0.179CC..Hα-helixtrans-89.1-54.9-176.5-63.1-178.8000112.5P148 L149 L228 I231 L241P148-L151 HydrophobicContact CB-CD1 4.13Å; P148-L151 HydrophobicContact CB-CG 4.23Å; P148-L151 HydrophobicContact CG-CD1 4.2Å; P148-L151 PolarHBondContact O-N 3.29Å; L149-L151 VanDerWaalsContact C-N 3.31Å; L149-L151 PolarHBondContact O-N 2.99Å; L151-L228 HydrophobicContact CD1-CD2 4.21Å; L151-L228 HydrophobicContact CG-CD2 4.27Å; L151-I231 HydrophobicContact CD1-CG2 4.36Å; L151-L241 HydrophobicContact CD1-CB 4.39Å; L151-L241 HydrophobicContact CD1-CD1 4.29Å
152N95.6Very high97Very high7 Ų743.5 Ų43.54%0.03721%0.208CC..Hα-helixtrans-128.27-167.769.111.5000114.3K130 R131 G147 P148 V154 L241K130-N152 WeakPolarHBondContact CD-O 3.35Å; K130-N152 PolarHBondContact NZ-O 3.36Å; R131-N152 PolarHBondContact O-ND2 3.5Å; G147-N152 WeakPolarHBondContact CA-ND2 3.28Å; G147-N152 VanDerWaalsContact CA-OD1 3.25Å; G147-N152 WeakPolarHBondContact CA-OD1 3.33Å; G147-N152 PolarHBondContact O-OD1 2.9Å; P148-N152 PolarHBondContact O-N 3.33Å; N152-V154 VanDerWaalsContact C-N 3.26Å; N152-V154 PolarHBondContact O-N 2.87Å; N152-V154 PolarHBondContact OD1-N 3.46Å; N152-V154 VanDerWaalsContact OD1-N 3.15Å; N152-L241 WeakPolarHBondContact CB-O 3.16Å; N152-L241 PolarHBondContact ND2-O 3.4Å
153R96.6Very high97Very high170 Ų17046.5 Ų46.564%0.64222%0.22SC*.  trans59.928.6176.9-49.4-65.4-176.8-173.53.5114.1H127 L149H127-R153 PolarHBondContact CE1-O 3.39Å; L149-R153 WeakPolarHBondContact O-CA 3.26Å; L149-R153 WeakPolarHBondContact O-CD 3.3Å; L149-R153 PolarHBondContact O-N 3.32Å
154V97.4Very high97Very high1 Ų146.8 Ų46.81%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-105.7101.2174.4-173.30000110.3L122 H127 K130 V132 G147 N152L122-V154 HydrophobicContact CD1-CG1 4.31Å; H127-V154 HydrophobicContact CB-CG1 4.43Å; H127-V154 HydrophobicContact CB-CG2 3.93Å; K130-V154 HydrophobicContact CB-CG2 4.02Å; K130-V154 HydrophobicContact CD-CG2 3.38Å; K130-V154 HydrophobicContact CG-CG2 4.32Å; V132-V154 HydrophobicContact CG1-CB 3.93Å; V132-V154 HydrophobicContact CG1-CG1 3.91Å; V132-V154 HydrophobicContact CG1-CG2 3.94Å; G147-V154 CarbonylContact C-O 3.58Å; G147-V154 PolarHBondContact N-O 2.92Å; G147-V154 CarbonylContact O-C 3.54Å; N152-V154 VanDerWaalsContact C-N 3.26Å; N152-V154 PolarHBondContact O-N 2.87Å; N152-V154 PolarHBondContact OD1-N 3.46Å; N152-V154 VanDerWaalsContact OD1-N 3.15Å
155P96.9Very high97Very high51 Ų5148.4 Ų48.433%0.33123%0.23SC..EExtended strand (participates in β ladder)trans-65.3172.918031.3-36.8000111.6L149 R157L149-P155 HydrophobicContact CD1-CB 4.17Å; P155-R157 VanDerWaalsContact O-CB 3.3Å; P155-R157 WeakPolarHBondContact O-CB 3.43Å; P155-R157 PolarHBondContact O-N 3.44Å
156L96.9Very high97Very high17 Ų1748.7 Ų48.79%0.08923%0.233CC..EExtended strand (participates in β ladder)trans-47.7112.1164.3-78.7165.7000109.2L135 L144 V145 L182 F187 Q220 V223L135-L156 HydrophobicContact CD1-CD2 3.54Å; L144-L156 HydrophobicContact CD1-CD2 4.19Å; L144-L156 HydrophobicContact CG-CD2 4.47Å; V145-L156 WeakPolarHBondContact O-CA 3.33Å; L156-L182 HydrophobicContact CD1-CD1 4.2Å; L156-F187 HydrophobicContact CB-CE1 4.19Å; L156-F187 HydrophobicContact CB-CZ 4.25Å; L156-F187 WeakPolarHBondContact O-CE1 3.32Å; L156-Q220 VanDerWaalsContact CG-OE1 3.24Å; L156-V223 HydrophobicContact CD1-CB 4.37Å; L156-V223 HydrophobicContact CD1-CG2 4.1Å; L156-V223 HydrophobicContact CD2-CG1 4.35Å
157R96.1Very high97Very high96 Ų9649 Ų4936%0.36224%0.235SC..EExtended strand (participates in β ladder)trans-143.4150.6-170.8-171.3172.7-176.3-93.70.1110.6V145 P155V145-R157 PolarHBondContact N-O 3.35Å; V145-R157 PolarHBondContact O-N 2.87Å; P155-R157 VanDerWaalsContact O-CB 3.3Å; P155-R157 WeakPolarHBondContact O-CB 3.43Å; P155-R157 PolarHBondContact O-N 3.44Å
158R97.6Very high97Very high64 Ų6452.6 Ų52.624%0.24226%0.264CS..EExtended strand (participates in β ladder)trans-83.6130.4169.1-61.6-170.3-64.5-179.4-7.5110.5L138 L142 L143 D184 F187L138-R158 VanDerWaalsContact CD1-CD 3.41Å; L138-R158 HydrophobicContact CD1-CG 3.62Å; L142-R158 HydrophobicContact CB-CB 4.34Å; L142-R158 HydrophobicContact CD1-CB 4.17Å; L143-R158 CarbonylContact O-C 3.5Å; L143-R158 VanDerWaalsContact O-CA 3.3Å; L143-R158 WeakPolarHBondContact O-CA 3.2Å; R158-D184 PolarHBondContact NH1-O 3.33Å; R158-D184 IonicContact NH1-OD1 2.99Å; R158-D184 PolarHBondContact NH1-OD1 3.33Å; R158-F187 HydrophobicContact CG-CB 3.81Å; R158-F187 HydrophobicContact CG-CD2 3.96Å; R158-F187 HydrophobicContact CG-CG 3.88Å; R158-F187 VanDerWaalsContact NE-CB 3.27Å; R158-F187 PolarHBondContact NH2-O 3.16Å
159A97.6Very high97Very high8 Ų854.9 Ų54.97%0.06628%0.279CS..EExtended strand (participates in β ladder)trans-121.6150171.800000110.1L122 L143 V145 V164L122-A159 HydrophobicContact CD2-CB 3.85Å; L143-A159 PolarHBondContact N-O 3.06Å; L143-A159 PolarHBondContact O-N 3.36Å; V145-A159 HydrophobicContact CG2-CB 4.08Å; A159-V164 HydrophobicContact CB-CG2 4.13Å
160H97.8Very high97Very high83 Ų8357.4 Ų57.438%0.38429%0.287SS..  trans-91.4132.5175.2-169.8-82.8000109.5L142 K162 F163L142-H160 HydrophobicContact CD2-CB 4.08Å; H160-K162 VanDerWaalsContact C-N 3.26Å; H160-K162 PolarHBondContact ND1-N 2.9Å; H160-K162 PolarHBondContact O-N 2.93Å; H160-K162 VanDerWaalsContact O-N 3.14Å; H160-F163 HydrophobicContact CB-CD2 3.78Å; H160-F163 HydrophobicContact CB-CE2 4.35Å; H160-F163 PolarHBondContact O-N 3.11Å
161Q97.3Very high97.1Very high33 Ų3354.4 Ų54.415%0.15426%0.261CS..G310 helixtrans-55-34.6-175.2179.1-179-30.600115N109 I114 L143 F163N109-Q161 PolarHBondContact O-OE1 3.16Å; I114-Q161 HydrophobicContact CD1-CG 3.73Å; L143-Q161 HydrophobicContact CD1-CB 4.17Å; L143-Q161 HydrophobicContact CD2-CB 4.4Å; L143-Q161 HydrophobicContact CG-CB 4.28Å; Q161-F163 VanDerWaalsContact C-N 3.29Å; Q161-F163 PolarHBondContact O-N 2.96Å
162K97.7Very high97.1Very high174 Ų17458.3 Ų58.376%0.75728%0.282SS*.G310 helixtrans-68.2-24.9177.7-68.8-174.7177.3-171.70113.9H160 V164H160-K162 VanDerWaalsContact C-N 3.26Å; H160-K162 PolarHBondContact ND1-N 2.9Å; H160-K162 PolarHBondContact O-N 2.93Å; H160-K162 VanDerWaalsContact O-N 3.14Å; K162-V164 VanDerWaalsContact C-N 3.31Å; K162-V164 PolarHBondContact O-N 3.1Å
163F97.9Very high97Very high103 Ų10358.5 Ų58.545%0.45228%0.283SS..G310 helixtrans-101.930.3-174-59.3-51000112.2L123 T124 H160 Q161L123-F163 WeakPolarHBondContact CB-O 3.35Å; L123-F163 PolarHBondContact N-O 3.26Å; T124-F163 HydrophobicContact CG2-CB 3.82Å; T124-F163 HydrophobicContact CG2-CD1 3.85Å; T124-F163 HydrophobicContact CG2-CG 3.86Å; T124-F163 WeakPolarHBondContact OG1-CB 3.48Å; H160-F163 HydrophobicContact CB-CD2 3.78Å; H160-F163 HydrophobicContact CB-CE2 4.35Å; H160-F163 PolarHBondContact O-N 3.11Å; Q161-F163 VanDerWaalsContact C-N 3.29Å; Q161-F163 PolarHBondContact O-N 2.96Å
164V98.1Very high96.7Very high5 Ų555.3 Ų55.33%0.0329%0.287CS..EExtended strand (participates in β ladder)trans-142.3136.5-174.8176.60000109.3R111 L120 V121 L122 A159 K162R111-V164 PolarHBondContact NH1-O 2.98Å; L120-V164 HydrophobicContact CB-CG1 3.48Å; L120-V164 VanDerWaalsContact CB-CG1 3.48Å; L120-V164 HydrophobicContact CD1-CG1 3.93Å; L120-V164 HydrophobicContact CD2-CG1 3.7Å; L120-V164 HydrophobicContact CG-CG1 3.85Å; V121-V164 VanDerWaalsContact O-CA 3.31Å; V121-V164 WeakPolarHBondContact O-CA 3.42Å; L122-V164 HydrophobicContact CD2-CG2 3.89Å; A159-V164 HydrophobicContact CB-CG2 4.13Å; K162-V164 VanDerWaalsContact C-N 3.31Å; K162-V164 PolarHBondContact O-N 3.1Å
165I98Very high96.3Very high34 Ų3458.8 Ų58.817%0.17432%0.323CS..EExtended strand (participates in β ladder)trans-92.9128.1166.3-53.2179.1000107.6L120 V121 L123 F258L120-I165 CarbonylContact C-O 3.56Å; L120-I165 WeakPolarHBondContact CA-O 3.39Å; V121-I165 HydrophobicContact CB-CB 4.19Å; V121-I165 PolarHBondContact N-O 3.16Å; V121-I165 PolarHBondContact O-N 3.5Å; L123-I165 HydrophobicContact CD1-CD1 4.33Å; L123-I165 HydrophobicContact CD1-CG1 3.86Å; L123-I165 HydrophobicContact CD2-CD1 3.82Å; L123-I165 HydrophobicContact CD2-CG1 3.96Å; L123-I165 HydrophobicContact CG-CD1 4.49Å; L123-I165 HydrophobicContact CG-CG1 4.12Å; I165-F258 HydrophobicContact CD1-CD1 4.46Å; I165-F258 HydrophobicContact CD1-CE1 4.04Å; I165-F258 HydrophobicContact CD1-CZ 4.09Å; I165-F258 HydrophobicContact CG2-CB 3.68Å; I165-F258 HydrophobicContact CG2-CD1 3.71Å; I165-F258 HydrophobicContact CG2-CD2 4.08Å; I165-F258 HydrophobicContact CG2-CE1 4.32Å; I165-F258 HydrophobicContact CG2-CG 3.55Å
166A98.3Very high96.1Very high9 Ų957.3 Ų57.37%0.07431%0.312CS..EExtended strand (participates in β ladder)trans-89.5125.4171.700000107.5I114 T118 L120I114-A166 HydrophobicContact CG1-CB 3.74Å; T118-A166 HydrophobicContact CG2-CB 4.38Å; L120-A166 HydrophobicContact CD2-CB 3.93Å
167T97.9Very high95.8Very high6 Ų664.9 Ų64.94%0.03734%0.344CS..EExtended strand (participates in β ladder)trans-91.7165.6176.5670000111T118 V119 V121 T169 F258T118-T167 VanDerWaalsContact CG2-O 3.24Å; T118-T167 WeakPolarHBondContact CG2-O 3.25Å; V119-T167 WeakPolarHBondContact CB-OG1 3.45Å; V119-T167 PolarHBondContact O-N 3.45Å; V119-T167 PolarHBondContact O-OG1 3.41Å; V121-T167 HydrophobicContact CG2-CG2 3.96Å; T167-T169 PolarHBondContact O-N 3.24Å; T167-F258 WeakPolarHBondContact CA-OXT 3.18Å; T167-F258 WeakPolarHBondContact CB-OXT 3.45Å
168A96.9Very high95.6Very high76 Ų7662.3 Ų62.363%0.62834%0.337SS*.EExtended strand (participates in β ladder)trans-69.6-20.7174.100000112.8K170 F258A168-K170 PolarHBondContact O-N 2.98Å; A168-F258 VanDerWaalsContact N-C 3.34Å; A168-F258 PolarHBondContact N-O 3.21Å; A168-F258 VanDerWaalsContact N-O 3.17Å; A168-F258 PolarHBondContact N-OXT 3.14Å
169T96.6Very high95.3Very high48 Ų4861 Ų6129%0.29434%0.337SS..EExtended strand (participates in β ladder)trans-68.8127.8-179.3-41.60000111.5V119 T167 L237V119-T169 HydrophobicContact CG2-CG2 4.19Å; V119-T169 PolarHBondContact N-O 3.45Å; T167-T169 PolarHBondContact O-N 3.24Å; T169-L237 HydrophobicContact CG2-CD1 4.01Å
170K96.3Very high95Very high119 Ų11970.2 Ų70.252%0.51738%0.375SS..EExtended strand (participates in β ladder)trans-128.2140.8178.6-63.5-179.7-176.7-176.70110.9T115 A168T115-K170 WeakPolarHBondContact OG1-CE 3.47Å; T115-K170 PolarHBondContact OG1-NZ 3.02Å; A168-K170 PolarHBondContact O-N 2.98Å
171V95.9Very high94.7Very high6 Ų670.1 Ų70.14%0.03638%0.381CS..  trans-104.3133.7166.9-177.40000107.2G117 I173 L227 L230 L237G117-V171 VanDerWaalsContact CA-O 3.3Å; G117-V171 WeakPolarHBondContact CA-O 3.46Å; G117-V171 PolarHBondContact O-N 2.84Å; V171-I173 HydrophobicContact CB-CG1 4.41Å; V171-I173 HydrophobicContact CG1-CG1 4.26Å; V171-I173 PolarHBondContact O-N 2.87Å; V171-L227 HydrophobicContact CG1-CD1 4.38Å; V171-L230 HydrophobicContact CG1-CB 3.96Å; V171-L237 HydrophobicContact CG2-CD2 3.58Å
172D95Very high94.5Very high115 Ų11568.6 Ų68.662%0.61537%0.373SS*.  trans-73.3119.4173.5-178.517000110.2S174 L230D172-S174 VanDerWaalsContact OD1-CB 3.26Å; D172-S174 WeakPolarHBondContact OD1-CB 3.47Å; D172-S174 PolarHBondContact OD1-N 2.88Å; D172-S174 PolarHBondContact OD1-OG 2.74Å; D172-S174 PolarHBondContact OD2-OG 3.2Å; D172-L230 WeakPolarHBondContact O-CD1 3.39Å
173I93.9Very high94.4Very high11 Ų1162.7 Ų62.76%0.05635%0.354CS..  trans-118.57.2-176.4-61.6-172000111V133 L135 V171 G175 M176 L227V133-I173 HydrophobicContact CG1-CD1 3.46Å; V133-I173 VanDerWaalsContact CG1-CD1 3.46Å; L135-I173 HydrophobicContact CD2-CD1 4.21Å; V171-I173 HydrophobicContact CB-CG1 4.41Å; V171-I173 HydrophobicContact CG1-CG1 4.26Å; V171-I173 PolarHBondContact O-N 2.87Å; I173-G175 PolarHBondContact O-N 3.15Å; I173-G175 VanDerWaalsContact O-N 3.12Å; I173-M176 HydrophobicContact CG2-CB 3.63Å; I173-M176 HydrophobicContact CG2-CE 3.23Å; I173-M176 HydrophobicContact CG2-CG 4.34Å; I173-M176 HydrophobicContact CG2-SD 3.91Å; I173-M176 WeakPolarHBondContact O-CB 3.37Å; I173-M176 PolarHBondContact O-N 2.82Å; I173-L227 HydrophobicContact CD1-CD1 3.79Å; I173-L227 HydrophobicContact CG1-CD1 4.2Å
174S91.6Very high94.3Very high103 Ų10358.9 Ų58.972%0.7234%0.338SS*.THydrogen-bonded Turntrans-52.2-38.2-177.557.70000113.9D172D172-S174 VanDerWaalsContact OD1-CB 3.26Å; D172-S174 WeakPolarHBondContact OD1-CB 3.47Å; D172-S174 PolarHBondContact OD1-N 2.88Å; D172-S174 PolarHBondContact OD1-OG 2.74Å; D172-S174 PolarHBondContact OD2-OG 3.2Å
175G88.3Confident94.2Very high73 Ų7362.1 Ų62.175%0.75337%0.366SS*.THydrogen-bonded Turntrans-82-5.2179.200000116.1I173I173-G175 PolarHBondContact O-N 3.15Å; I173-G175 VanDerWaalsContact O-N 3.12Å
176M91.6Very high94.1Very high21 Ų2162.4 Ų62.410%0.10337%0.365CS..  trans-86.2132-173.5-169-176.971.700112L135 I173 I178 V223 Q226 L227L135-M176 HydrophobicContact CD2-CE 3.55Å; I173-M176 HydrophobicContact CG2-CB 3.63Å; I173-M176 HydrophobicContact CG2-CE 3.23Å; I173-M176 HydrophobicContact CG2-CG 4.34Å; I173-M176 HydrophobicContact CG2-SD 3.91Å; I173-M176 WeakPolarHBondContact O-CB 3.37Å; I173-M176 PolarHBondContact O-N 2.82Å; M176-I178 HydrophobicContact CE-CD1 3.94Å; M176-I178 HydrophobicContact CE-CG1 3.48Å; M176-I178 VanDerWaalsContact CE-CG1 3.48Å; M176-I178 PolarHBondContact O-N 3.16Å; M176-V223 HydrophobicContact SD-CG1 4.44Å; M176-Q226 HydrophobicContact CG-CB 3.9Å; M176-Q226 HydrophobicContact SD-CB 4.37Å; M176-L227 HydrophobicContact SD-CB 4.35Å
177K91.8Very high93.9Very high175 Ų17563 Ų6376%0.76137%0.366SS*.  trans-92.8101.3178.5-66.9-179.3-176174.80110.2P179K177-P179 WeakPolarHBondContact O-CD 3.44Å
178I91.4Very high93.7Very high43 Ų4370 Ų7022%0.22140%0.396CS..  trans-79.2123.4174.1-58164.4000109.3L135 K136 L144 M176 K180 L182L135-I178 HydrophobicContact CB-CD1 3.85Å; K136-I178 HydrophobicContact CB-CD1 4.24Å; K136-I178 HydrophobicContact CD-CD1 4.45Å; K136-I178 HydrophobicContact CD-CG2 4.01Å; K136-I178 HydrophobicContact CG-CD1 4.28Å; L144-I178 HydrophobicContact CD2-CG2 4.31Å; M176-I178 HydrophobicContact CE-CD1 3.94Å; M176-I178 HydrophobicContact CE-CG1 3.48Å; M176-I178 VanDerWaalsContact CE-CG1 3.48Å; M176-I178 PolarHBondContact O-N 3.16Å; I178-K180 PolarHBondContact O-N 3.18Å; I178-L182 HydrophobicContact CG2-CD1 4.22Å
179P91.6Very high93.4Very high37 Ų3775.3 Ų75.324%0.2441%0.405CS..  trans-57.1134.2179.1-24.632.7000112.6K177 T181 L182K177-P179 WeakPolarHBondContact O-CD 3.44Å; P179-T181 WeakPolarHBondContact CB-OG1 3.36Å; P179-T181 PolarHBondContact O-N 2.7Å; P179-L182 HydrophobicContact CB-CD1 4.44Å; P179-L182 HydrophobicContact CB-CG 4.23Å; P179-L182 HydrophobicContact CG-CD1 4.34Å; P179-L182 PolarHBondContact O-N 3.3Å
180K90.6Very high93Very high201 Ų20182.2 Ų82.287%0.87443%0.431SS*.THydrogen-bonded Turntrans-66.8-23.4177.3-67.1180-177.4173.80112.3I178 L182I178-K180 PolarHBondContact O-N 3.18Å; K180-L182 PolarHBondContact O-N 2.97Å
181T91.8Very high92.4Very high81 Ų8188 Ų8850%0.49745%0.449SS..THydrogen-bonded Turntrans-60.2-28.1175.552.70000112.8P179 S183P179-T181 WeakPolarHBondContact CB-OG1 3.36Å; P179-T181 PolarHBondContact O-N 2.7Å; T181-S183 VanDerWaalsContact C-N 3.27Å; T181-S183 PolarHBondContact O-N 2.98Å
182L94.4Very high91.5Very high0 Ų093.5 Ų93.50%048%0.478CS..  trans-72.479.4177.1-60.3-179.9000111.1K136 L144 L156 I178 P179 K180 Y186 F187K136-L182 WeakPolarHBondContact CE-O 3.31Å; K136-L182 PolarHBondContact NZ-O 2.91Å; L144-L182 HydrophobicContact CD2-CB 4.19Å; L144-L182 HydrophobicContact CD2-CD1 4.15Å; L156-L182 HydrophobicContact CD1-CD1 4.2Å; I178-L182 HydrophobicContact CG2-CD1 4.22Å; P179-L182 HydrophobicContact CB-CD1 4.44Å; P179-L182 HydrophobicContact CB-CG 4.23Å; P179-L182 HydrophobicContact CG-CD1 4.34Å; P179-L182 PolarHBondContact O-N 3.3Å; K180-L182 PolarHBondContact O-N 2.97Å; L182-Y186 HydrophobicContact CD2-CD1 3.96Å; L182-Y186 HydrophobicContact CD2-CD2 4.48Å; L182-Y186 HydrophobicContact CD2-CE1 3.7Å; L182-Y186 HydrophobicContact CD2-CE2 4.22Å; L182-Y186 HydrophobicContact CD2-CG 4.34Å; L182-F187 HydrophobicContact CB-CE2 4.24Å; L182-F187 HydrophobicContact CD2-CE2 4.35Å; L182-F187 HydrophobicContact CD2-CZ 4.02Å
183S95.8Very high90.6Very high51 Ų5199.2 Ų99.236%0.35749%0.491SS..  trans-110.3173179.6690000112.1T181 A185 Y186 F187T181-S183 VanDerWaalsContact C-N 3.27Å; T181-S183 PolarHBondContact O-N 2.98Å; S183-A185 PolarHBondContact O-N 2.91Å; S183-Y186 WeakPolarHBondContact O-CB 3.48Å; S183-Y186 PolarHBondContact O-N 3.28Å; S183-F187 VanDerWaalsContact O-CD2 3.3Å; S183-F187 WeakPolarHBondContact O-CD2 3.41Å
184D95.6Very high89.6Confident22 Ų22109.7 Ų109.712%0.11853%0.53CS..THydrogen-bonded Turntrans-60.5-30.2175.9-80.9-67.6000113.8L138 S139 S140 R158 K188L138-D184 WeakPolarHBondContact CB-OD2 3.03Å; S139-D184 PolarHBondContact N-OD2 3.4Å; S139-D184 PolarHBondContact OG-OD2 3.05Å; S140-D184 VanDerWaalsContact CB-OD1 3.27Å; S140-D184 WeakPolarHBondContact CB-OD1 3.39Å; S140-D184 WeakPolarHBondContact CB-OD2 3.37Å; S140-D184 PolarHBondContact N-OD2 3.19Å; S140-D184 PolarHBondContact OG-OD1 3.41Å; S140-D184 PolarHBondContact OG-OD2 2.91Å; R158-D184 PolarHBondContact NH1-O 3.33Å; R158-D184 IonicContact NH1-OD1 2.99Å; R158-D184 PolarHBondContact NH1-OD1 3.33Å; D184-K188 PolarHBondContact O-N 3.19Å
185A95.1Very high88.7Confident73 Ų73109 Ų10960%0.60352%0.523SS*.THydrogen-bonded Turntrans-67.7-41.2177.600000111.1S183 F187 K188S183-A185 PolarHBondContact O-N 2.91Å; A185-F187 PolarHBondContact O-N 2.92Å; A185-K188 WeakPolarHBondContact O-CB 3.39Å; A185-K188 PolarHBondContact O-N 3.28Å; A185-K188 VanDerWaalsContact O-N 3.08Å
186Y95.4Very high88Confident41 Ų41116.8 Ų116.816%0.16153%0.529CS..THydrogen-bonded Turntrans-56.1-39177.5-179.6-86.1000112.7L182 S183 R216 D219L182-Y186 HydrophobicContact CD2-CD1 3.96Å; L182-Y186 HydrophobicContact CD2-CD2 4.48Å; L182-Y186 HydrophobicContact CD2-CE1 3.7Å; L182-Y186 HydrophobicContact CD2-CE2 4.22Å; L182-Y186 HydrophobicContact CD2-CG 4.34Å; S183-Y186 WeakPolarHBondContact O-CB 3.48Å; S183-Y186 PolarHBondContact O-N 3.28Å; Y186-R216 HydrophobicContact CE1-CG 4.04Å; Y186-R216 PolarHBondContact O-NH2 3.33Å; Y186-R216 WeakPolarHBondContact OH-CA 3.42Å; Y186-R216 WeakPolarHBondContact OH-CG 3.48Å; Y186-D219 VanDerWaalsContact CE2-OD2 3.31Å; Y186-D219 WeakPolarHBondContact CE2-OD2 3.36Å; Y186-D219 VanDerWaalsContact CZ-OD2 3.26Å; Y186-D219 PolarHBondContact OH-OD2 3.21Å
187F95.1Very high87.1Confident20 Ų20123.8 Ų123.89%0.08856%0.561CS.*THydrogen-bonded Turntrans-94.73.4-179.3-63.6-73.3000114L138 L144 L156 R158 L182 S183 A185 K189L138-F187 HydrophobicContact CD1-CD2 4.3Å; L144-F187 HydrophobicContact CD1-CE1 4.4Å; L144-F187 HydrophobicContact CD1-CE2 3.59Å; L144-F187 HydrophobicContact CD1-CZ 3.5Å; L156-F187 HydrophobicContact CB-CE1 4.19Å; L156-F187 HydrophobicContact CB-CZ 4.25Å; L156-F187 WeakPolarHBondContact O-CE1 3.32Å; R158-F187 HydrophobicContact CG-CB 3.81Å; R158-F187 HydrophobicContact CG-CD2 3.96Å; R158-F187 HydrophobicContact CG-CG 3.88Å; R158-F187 VanDerWaalsContact NE-CB 3.27Å; R158-F187 PolarHBondContact NH2-O 3.16Å; L182-F187 HydrophobicContact CB-CE2 4.24Å; L182-F187 HydrophobicContact CD2-CE2 4.35Å; L182-F187 HydrophobicContact CD2-CZ 4.02Å; S183-F187 VanDerWaalsContact O-CD2 3.3Å; S183-F187 WeakPolarHBondContact O-CD2 3.41Å; A185-F187 PolarHBondContact O-N 2.92Å; F187-K189 PolarHBondContact O-N 3.46Å
188K94Very high85.8Confident153 Ų153124.3 Ų124.367%0.66557%0.567SS**SBendtrans-69.3133.3177.1-167.8175.8179.8-177.90108.8D184 A185 K190D184-K188 PolarHBondContact O-N 3.19Å; A185-K188 WeakPolarHBondContact O-CB 3.39Å; A185-K188 PolarHBondContact O-N 3.28Å; A185-K188 VanDerWaalsContact O-N 3.08Å; K188-K190 PolarHBondContact O-N 3.25Å
189K90.6Very high84.5Confident188 Ų188130.6 Ų130.682%0.81760%0.595SS**PPolyproline II helixtrans-63.1128.2174.1-69.5-173.1177.4-173.70108.7F187F187-K189 PolarHBondContact O-N 3.46Å
190K87.7Confident82.9Confident194 Ų194132.3 Ų132.384%0.84362%0.619SS**PPolyproline II helixtrans-67.2130.9168-63.7-174.4179.6-177.10107.5K188K188-K190 PolarHBondContact O-N 3.25Å
191R83.3Confident81.4Confident240 Ų240129.5 Ų129.591%0.90661%0.61SS**  trans-108.1118.8172.7-70.9-173.7175.6-173.6-2.7106.6
192L78.1Confident80.1Confident122 Ų122131.5 Ų131.564%0.63962%0.616SS**PPolyproline II helixtrans-72.1147.5172.1-63.2168.8000108.9E208L192-E208 HydrophobicContact CD1-CB 4.14Å; L192-E208 HydrophobicContact CD1-CG 4.45Å; L192-E208 WeakPolarHBondContact CD1-OE2 3.3Å
193R74.9Confident78.7Confident234 Ų234140.7 Ų140.788%0.88366%0.656SS**PPolyproline II helixtrans-71.9137.9171.5-72.6-176.9174.5178-0.8107.6
194R72.6Confident76.8Confident232 Ų232144.6 Ų144.688%0.87567%0.673SS**PPolyproline II helixtrans-65.7137.9170.1-66.7-177.6178.5176.3-3.2108.3
195P73.4Confident75.3Confident89 Ų89147.4 Ų147.458%0.57869%0.691SS**PPolyproline II helixtrans-57.5148.4170.224.5-31.1000109.2H197P195-H197 VanDerWaalsContact C-N 3.27Å; P195-H197 PolarHBondContact O-N 2.94Å
196R73Confident73.9Confident235 Ų235152.5 Ų152.589%0.88770%0.703SS**SBendtrans-81.2-0.7-171.5-76.7-176.9175.3176.6-2.2114.1
197H72.7Confident72.7Confident168 Ų168160 Ų16078%0.77874%0.736SS**  trans-77.4131.2-178.2-66.3-60.4000111.2P195P195-H197 VanDerWaalsContact C-N 3.27Å; P195-H197 PolarHBondContact O-N 2.94Å
198Q65.5Low71.5Confident187 Ų187166.3 Ų166.387%0.87477%0.766SS**  trans-93.4-14.2-173.4-77.9179.2-11.600113.2
199E64.1Low70.8Confident174 Ų174168 Ų16881%0.81377%0.773SS**SBendtrans-143.3143.6-175.4-66.5-178.6165.200111.3
200G58.1Low70.5Confident73 Ų73166.1 Ų166.175%0.75376%0.762SS**SBendtrans110.1-62.2161.700000117.2
201E58.9Low70.4Confident143 Ų143165 Ų16567%0.66876%0.759SS**  trans-110.646-164.1-64.6-180173.700113.4F203E201-F203 VanDerWaalsContact C-N 3.27Å; E201-F203 PolarHBondContact O-N 3.1Å
202I63.7Low70.7Confident123 Ų123158.1 Ų158.163%0.63174%0.74SS**THydrogen-bonded Turntrans-71.3-24.2-175.6-63171.5000111.9
203F64.5Low71.5Confident192 Ų192155 Ų15584%0.84273%0.726SS**THydrogen-bonded Turntrans-104.6-17.4-173-63-75.8000114.7E201E201-F203 VanDerWaalsContact C-N 3.27Å; E201-F203 PolarHBondContact O-N 3.1Å
204D56.8Low72.5Confident133 Ų133150.6 Ų150.671%0.71172%0.716SS**THydrogen-bonded Turntrans-88.9-7.2-178.5-64.2-38.9000114.1E206D204-E206 PolarHBondContact O-N 3.01Å
205T64.2Low73.5Confident81 Ų81144.9 Ų144.950%0.49770%0.699SS.*SBendtrans-77.693.7169.244.10000109.8K207T205-K207 PolarHBondContact O-N 3.03Å
206E66.3Low74.5Confident181 Ų181143.8 Ų143.885%0.84668%0.683SS**  trans-47.9119.6169.1-71.9-163.9163.400109.2D204 E208D204-E206 PolarHBondContact O-N 3.01Å; E206-E208 VanDerWaalsContact C-N 3.35Å; E206-E208 PolarHBondContact O-N 3.45Å
207K68.6Low75.5Confident197 Ų197137.3 Ų137.386%0.85766%0.662SS**  trans-62.9100.6175.5-74.8177.5-176.6163.40107.8T205 K209T205-K207 PolarHBondContact O-N 3.03Å; K207-K209 PolarHBondContact O-N 2.99Å
208E70.2Confident76.6Confident154 Ų154135 Ų13572%0.7265%0.651SS**  trans-48.3110.6177.6-75.7-174.8-176.300110L192 E206L192-E208 HydrophobicContact CD1-CB 4.14Å; L192-E208 HydrophobicContact CD1-CG 4.45Å; L192-E208 WeakPolarHBondContact CD1-OE2 3.3Å; E206-E208 VanDerWaalsContact C-N 3.35Å; E206-E208 PolarHBondContact O-N 3.45Å
209K79.8Confident78Confident189 Ų189127.2 Ų127.282%0.82262%0.616SS**  trans-70.3141.6177-67.4174.6-174.5164.90107.7K207 Q211K207-K209 PolarHBondContact O-N 2.99Å; K209-Q211 PolarHBondContact O-N 2.99Å
210Y83.4Confident79.6Confident148 Ų148119.5 Ų119.558%0.5858%0.58SS**  trans-57.4114.9177.8171.9-101.7000110.6L212 R216Y210-L212 HydrophobicContact CE1-CD1 4.26Å; Y210-R216 WeakPolarHBondContact OH-CD 3.44Å; Y210-R216 PolarHBondContact OH-NH1 2.85Å
211Q86.6Confident81.3Confident169 Ų169123.3 Ų123.379%0.7958%0.575SS**PPolyproline II helixtrans-90.4138171.6-64.7-175.1-1.200110.6K209 T213K209-Q211 PolarHBondContact O-N 2.99Å; Q211-T213 PolarHBondContact O-N 3.2Å
212L90.3Very high83.1Confident97 Ų97119.5 Ų119.551%0.50856%0.562SS.*PPolyproline II helixtrans-79.8117.6-179.1-175.465.7000110.1Y210 R216 K217Y210-L212 HydrophobicContact CE1-CD1 4.26Å; L212-R216 HydrophobicContact CD1-CB 3.79Å; L212-K217 HydrophobicContact CD2-CD 4.3Å; L212-K217 HydrophobicContact CD2-CG 3.63Å; L212-K217 HydrophobicContact CG-CG 4Å
213T93.8Very high84.6Confident55 Ų55113.8 Ų113.834%0.33753%0.533SS..PPolyproline II helixtrans-69145.4176.853.80000111.5Q211 Q215 R216 K217Q211-T213 PolarHBondContact O-N 3.2Å; T213-Q215 VanDerWaalsContact C-N 3.31Å; T213-Q215 PolarHBondContact O-N 2.71Å; T213-R216 WeakPolarHBondContact O-CB 3.44Å; T213-R216 PolarHBondContact O-N 3.15Å; T213-K217 PolarHBondContact O-N 3.33Å
214E95.3Very high86.1Confident143 Ų143105.2 Ų105.267%0.66850%0.496SS*.Hα-helixtrans-58.9-42.5179.3-63.9-175.7153.200112.4R216 K217 E218E214-R216 PolarHBondContact O-N 3.11Å; E214-R216 VanDerWaalsContact O-N 3.09Å; E214-K217 WeakPolarHBondContact O-CA 3.44Å; E214-K217 VanDerWaalsContact O-CB 3.31Å; E214-K217 WeakPolarHBondContact O-CB 3.38Å; E214-K217 PolarHBondContact O-N 3.22Å; E214-E218 PolarHBondContact O-N 2.59Å
215Q94.1Very high87.9Confident111 Ų111102.3 Ų102.352%0.51949%0.486SS..Hα-helixtrans-49.6-39.4172.7-173.5-179.116.500113T213 E218 D219T213-Q215 VanDerWaalsContact C-N 3.31Å; T213-Q215 PolarHBondContact O-N 2.71Å; Q215-E218 PolarHBondContact O-N 3.21Å; Q215-D219 WeakPolarHBondContact O-CB 3.37Å; Q215-D219 VanDerWaalsContact O-CG 3.24Å; Q215-D219 PolarHBondContact O-N 2.71Å
216R94.4Very high89.4Confident66 Ų66101.9 Ų101.925%0.24948%0.478CS..Hα-helixtrans-72.1-30.5178.8-87179175.3-159.32.3112.6Y186 Y210 L212 T213 E214 Q220Y186-R216 HydrophobicContact CE1-CG 4.04Å; Y186-R216 PolarHBondContact O-NH2 3.33Å; Y186-R216 WeakPolarHBondContact OH-CA 3.42Å; Y186-R216 WeakPolarHBondContact OH-CG 3.48Å; Y210-R216 WeakPolarHBondContact OH-CD 3.44Å; Y210-R216 PolarHBondContact OH-NH1 2.85Å; L212-R216 HydrophobicContact CD1-CB 3.79Å; T213-R216 WeakPolarHBondContact O-CB 3.44Å; T213-R216 PolarHBondContact O-N 3.15Å; E214-R216 PolarHBondContact O-N 3.11Å; E214-R216 VanDerWaalsContact O-N 3.09Å; R216-Q220 VanDerWaalsContact O-CB 3.32Å; R216-Q220 WeakPolarHBondContact O-CB 3.32Å; R216-Q220 PolarHBondContact O-N 3.26Å; R216-Q220 VanDerWaalsContact O-N 3.16Å
217K95.2Very high90.8Very high99 Ų9993.3 Ų93.343%0.4344%0.438SS..Hα-helixtrans-69-43.4175.2-60.8176.1-176.1171.10109.9L212 T213 E214 Q220 K221L212-K217 HydrophobicContact CD2-CD 4.3Å; L212-K217 HydrophobicContact CD2-CG 3.63Å; L212-K217 HydrophobicContact CG-CG 4Å; T213-K217 PolarHBondContact O-N 3.33Å; E214-K217 WeakPolarHBondContact O-CA 3.44Å; E214-K217 VanDerWaalsContact O-CB 3.31Å; E214-K217 WeakPolarHBondContact O-CB 3.38Å; E214-K217 PolarHBondContact O-N 3.22Å; K217-Q220 PolarHBondContact O-N 2.82Å; K217-K221 VanDerWaalsContact O-CG 3.31Å; K217-K221 WeakPolarHBondContact O-CG 3.46Å; K217-K221 PolarHBondContact O-N 3.09Å
218E95.3Very high92.1Very high120 Ų12086 Ų8656%0.56141%0.409SS*.Hα-helixtrans-67.4-48.8178.6-68.2171.6-178.500112.4E214 Q215 Q220 K221 T222E214-E218 PolarHBondContact O-N 2.59Å; Q215-E218 PolarHBondContact O-N 3.21Å; E218-Q220 PolarHBondContact O-N 2.59Å; E218-K221 PolarHBondContact O-N 3.14Å; E218-K221 VanDerWaalsContact O-N 3.1Å; E218-T222 WeakPolarHBondContact O-CG2 3.31Å; E218-T222 PolarHBondContact O-N 3.37Å; E218-T222 PolarHBondContact O-OG1 2.85Å
219D95Very high93.3Very high24 Ų2481.7 Ų81.713%0.12839%0.394CS..Hα-helixtrans-58.2-36.2176-73.6-32.8000111.6Y186 Q215 T222 V223Y186-D219 VanDerWaalsContact CE2-OD2 3.31Å; Y186-D219 WeakPolarHBondContact CE2-OD2 3.36Å; Y186-D219 VanDerWaalsContact CZ-OD2 3.26Å; Y186-D219 PolarHBondContact OH-OD2 3.21Å; Q215-D219 WeakPolarHBondContact O-CB 3.37Å; Q215-D219 VanDerWaalsContact O-CG 3.24Å; Q215-D219 PolarHBondContact O-N 2.71Å; D219-T222 WeakPolarHBondContact CA-OG1 3.45Å; D219-T222 PolarHBondContact O-OG1 2.99Å; D219-V223 WeakPolarHBondContact O-CG2 3.46Å; D219-V223 PolarHBondContact O-N 3.41Å
220Q96.2Very high94.1Very high12 Ų1274.9 Ų74.96%0.05637%0.366CS..Hα-helixtrans-67.6-48.4174.5-173.76943.100111.7T146 L149 L156 R216 K217 E218 T222 V223 D224T146-Q220 PolarHBondContact OG1-NE2 3.01Å; L149-Q220 HydrophobicContact CB-CG 4.11Å; L149-Q220 HydrophobicContact CD2-CG 4.2Å; L156-Q220 VanDerWaalsContact CG-OE1 3.24Å; R216-Q220 VanDerWaalsContact O-CB 3.32Å; R216-Q220 WeakPolarHBondContact O-CB 3.32Å; R216-Q220 PolarHBondContact O-N 3.26Å; R216-Q220 VanDerWaalsContact O-N 3.16Å; K217-Q220 PolarHBondContact O-N 2.82Å; E218-Q220 PolarHBondContact O-N 2.59Å; Q220-T222 VanDerWaalsContact C-N 3.29Å; Q220-T222 PolarHBondContact O-N 3.02Å; Q220-V223 PolarHBondContact O-N 3.22Å; Q220-D224 PolarHBondContact NE2-OD1 2.82Å; Q220-D224 PolarHBondContact NE2-OD2 3.19Å; Q220-D224 WeakPolarHBondContact O-CB 3.38Å; Q220-D224 PolarHBondContact O-N 2.8Å
221K95.3Very high94.6Very high153 Ų15367.9 Ų67.967%0.66534%0.338SS*.Hα-helixtrans-58.9-42.1-179.8-75.8174.6-178.6-176.90111.5K217 E218 S225K217-K221 VanDerWaalsContact O-CG 3.31Å; K217-K221 WeakPolarHBondContact O-CG 3.46Å; K217-K221 PolarHBondContact O-N 3.09Å; E218-K221 PolarHBondContact O-N 3.14Å; E218-K221 VanDerWaalsContact O-N 3.1Å; K221-S225 VanDerWaalsContact O-CB 3.28Å; K221-S225 WeakPolarHBondContact O-CB 3.3Å; K221-S225 PolarHBondContact O-N 3.07Å; K221-S225 PolarHBondContact O-OG 3.31Å
222T95.2Very high95Very high63 Ų6366.2 Ų66.239%0.38733%0.329SS..Hα-helixtrans-67.4-36.7-179.554.40000113.3E218 D219 Q220 S225 Q226E218-T222 WeakPolarHBondContact O-CG2 3.31Å; E218-T222 PolarHBondContact O-N 3.37Å; E218-T222 PolarHBondContact O-OG1 2.85Å; D219-T222 WeakPolarHBondContact CA-OG1 3.45Å; D219-T222 PolarHBondContact O-OG1 2.99Å; Q220-T222 VanDerWaalsContact C-N 3.29Å; Q220-T222 PolarHBondContact O-N 3.02Å; T222-S225 PolarHBondContact O-OG 3.22Å; T222-Q226 PolarHBondContact O-NE2 2.9Å
223V95.9Very high95.2Very high2 Ų269.4 Ų69.41%0.01234%0.338CS..Hα-helixtrans-74.4-44.5175174.20000110.9L135 T146 L156 M176 D219 Q220 S225 Q226 L227L135-V223 HydrophobicContact CD1-CG1 4.13Å; T146-V223 HydrophobicContact CG2-CG1 4.42Å; L156-V223 HydrophobicContact CD1-CB 4.37Å; L156-V223 HydrophobicContact CD1-CG2 4.1Å; L156-V223 HydrophobicContact CD2-CG1 4.35Å; M176-V223 HydrophobicContact SD-CG1 4.44Å; D219-V223 WeakPolarHBondContact O-CG2 3.46Å; D219-V223 PolarHBondContact O-N 3.41Å; Q220-V223 PolarHBondContact O-N 3.22Å; V223-S225 VanDerWaalsContact C-N 3.35Å; V223-S225 PolarHBondContact O-N 3.15Å; V223-Q226 PolarHBondContact O-N 3.12Å; V223-L227 WeakPolarHBondContact O-CB 3.34Å; V223-L227 PolarHBondContact O-N 3.5Å; V223-L227 VanDerWaalsContact O-N 3.11Å
224D95.7Very high95.3Very high12 Ų1269.7 Ų69.76%0.06434%0.34CS..Hα-helixtrans-68-34-178.2-74.8-10000112.2T146 L149 Q220 Q226 L227 L228T146-D224 PolarHBondContact OG1-OD1 3.05Å; L149-D224 WeakPolarHBondContact CB-OD2 3.27Å; L149-D224 PolarHBondContact N-OD2 2.95Å; Q220-D224 PolarHBondContact NE2-OD1 2.82Å; Q220-D224 PolarHBondContact NE2-OD2 3.19Å; Q220-D224 WeakPolarHBondContact O-CB 3.38Å; Q220-D224 PolarHBondContact O-N 2.8Å; D224-Q226 VanDerWaalsContact C-N 3.27Å; D224-Q226 PolarHBondContact O-N 3.21Å; D224-L227 PolarHBondContact O-N 3.26Å; D224-L228 HydrophobicContact CB-CD1 4.39Å; D224-L228 WeakPolarHBondContact O-CB 3.46Å; D224-L228 WeakPolarHBondContact O-CG 3.39Å; D224-L228 PolarHBondContact O-N 3.08Å
225S95.6Very high95.3Very high73 Ų7368.1 Ų68.151%0.5134%0.342SS..Hα-helixtrans-62.1-34.3176.966.70000112.6K221 T222 V223 P229K221-S225 VanDerWaalsContact O-CB 3.28Å; K221-S225 WeakPolarHBondContact O-CB 3.3Å; K221-S225 PolarHBondContact O-N 3.07Å; K221-S225 PolarHBondContact O-OG 3.31Å; T222-S225 PolarHBondContact O-OG 3.22Å; V223-S225 VanDerWaalsContact C-N 3.35Å; V223-S225 PolarHBondContact O-N 3.15Å; S225-P229 WeakPolarHBondContact O-CD 3.31Å; S225-P229 WeakPolarHBondContact O-CG 3.39Å
226Q95.8Very high95.4Very high72 Ų7271.4 Ų71.434%0.33636%0.358SS..Hα-helixtrans-78.2-35.6175.5-63.9176.437.300112M176 T222 V223 D224M176-Q226 HydrophobicContact CG-CB 3.9Å; M176-Q226 HydrophobicContact SD-CB 4.37Å; T222-Q226 PolarHBondContact O-NE2 2.9Å; V223-Q226 PolarHBondContact O-N 3.12Å; D224-Q226 VanDerWaalsContact C-N 3.27Å; D224-Q226 PolarHBondContact O-N 3.21Å
227L95.4Very high95.5Very high0 Ų068.6 Ų68.60%035%0.347CS..Hα-helixtrans-83-34.7-173.4-173.259.9000113.6V133 T146 P148 V171 I173 M176 V223 D224 L230 I231V133-L227 HydrophobicContact CB-CD2 4.24Å; V133-L227 HydrophobicContact CG1-CD1 4.44Å; V133-L227 HydrophobicContact CG1-CD2 4.39Å; V133-L227 HydrophobicContact CG2-CD2 4.4Å; T146-L227 HydrophobicContact CG2-CD2 3.42Å; T146-L227 VanDerWaalsContact CG2-CD2 3.42Å; P148-L227 HydrophobicContact CG-CD2 4Å; P148-L227 HydrophobicContact CG-CG 4.46Å; V171-L227 HydrophobicContact CG1-CD1 4.38Å; I173-L227 HydrophobicContact CD1-CD1 3.79Å; I173-L227 HydrophobicContact CG1-CD1 4.2Å; M176-L227 HydrophobicContact SD-CB 4.35Å; V223-L227 WeakPolarHBondContact O-CB 3.34Å; V223-L227 PolarHBondContact O-N 3.5Å; V223-L227 VanDerWaalsContact O-N 3.11Å; D224-L227 PolarHBondContact O-N 3.26Å; L227-L230 HydrophobicContact CD1-CD1 4.49Å; L227-L230 WeakPolarHBondContact O-CB 3.12Å; L227-L230 PolarHBondContact O-N 3.33Å; L227-I231 HydrophobicContact CD1-CD1 4.36Å; L227-I231 HydrophobicContact CD1-CG1 4.5Å; L227-I231 HydrophobicContact CD2-CD1 4.26Å; L227-I231 HydrophobicContact CG-CD1 3.77Å; L227-I231 HydrophobicContact CG-CG1 4.36Å; L227-I231 WeakPolarHBondContact O-CG1 3.5Å; L227-I231 PolarHBondContact O-N 3.33Å
228L95.6Very high95.5Very high45 Ų4568.6 Ų68.624%0.23635%0.347CS..Hα-helixtrans-61.4-41.2-177.9-75.5169.2000114P148 L151 D224 L230 I231 K232P148-L228 HydrophobicContact CB-CD2 3.76Å; P148-L228 HydrophobicContact CB-CG 4.35Å; P148-L228 HydrophobicContact CG-CD2 4.41Å; L151-L228 HydrophobicContact CD1-CD2 4.21Å; L151-L228 HydrophobicContact CG-CD2 4.27Å; D224-L228 HydrophobicContact CB-CD1 4.39Å; D224-L228 WeakPolarHBondContact O-CB 3.46Å; D224-L228 WeakPolarHBondContact O-CG 3.39Å; D224-L228 PolarHBondContact O-N 3.08Å; L228-L230 VanDerWaalsContact C-N 3.32Å; L228-L230 PolarHBondContact O-N 2.84Å; L228-I231 PolarHBondContact O-N 3.14Å; L228-K232 WeakPolarHBondContact O-CB 3.45Å; L228-K232 VanDerWaalsContact O-CG 3.3Å; L228-K232 WeakPolarHBondContact O-CG 3.31Å; L228-K232 PolarHBondContact O-N 3.01Å
229P95.5Very high95.6Very high63 Ų6365 Ų6541%0.40934%0.343SS..Hα-helixtrans-60.6-39.4173.1-24.935000112.8S225 K232 K233S225-P229 WeakPolarHBondContact O-CD 3.31Å; S225-P229 WeakPolarHBondContact O-CG 3.39Å; P229-K232 WeakPolarHBondContact O-CB 3.3Å; P229-K232 PolarHBondContact O-N 2.85Å; P229-K233 WeakPolarHBondContact O-CG 3.41Å; P229-K233 PolarHBondContact O-N 2.68Å
230L95.6Very high95.7Very high45 Ų4567.1 Ų67.124%0.23635%0.35CS..Hα-helixtrans-65.6-41.5178.6-60.1170.3000111.2V171 D172 L227 L228 K232 K233V171-L230 HydrophobicContact CG1-CB 3.96Å; D172-L230 WeakPolarHBondContact O-CD1 3.39Å; L227-L230 HydrophobicContact CD1-CD1 4.49Å; L227-L230 WeakPolarHBondContact O-CB 3.12Å; L227-L230 PolarHBondContact O-N 3.33Å; L228-L230 VanDerWaalsContact C-N 3.32Å; L228-L230 PolarHBondContact O-N 2.84Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 3.37Å; L230-K233 PolarHBondContact O-N 3.27Å
231I95.4Very high95.8Very high1 Ų166.6 Ų66.61%0.00535%0.347CS..Hα-helixtrans-67-35175.3-67.8167.1000111.6P148 L151 L227 L228 K233 V234 L237 K238 L241P148-I231 HydrophobicContact CG-CD1 3.39Å; L151-I231 HydrophobicContact CD1-CG2 4.36Å; L227-I231 HydrophobicContact CD1-CD1 4.36Å; L227-I231 HydrophobicContact CD1-CG1 4.5Å; L227-I231 HydrophobicContact CD2-CD1 4.26Å; L227-I231 HydrophobicContact CG-CD1 3.77Å; L227-I231 HydrophobicContact CG-CG1 4.36Å; L227-I231 WeakPolarHBondContact O-CG1 3.5Å; L227-I231 PolarHBondContact O-N 3.33Å; L228-I231 PolarHBondContact O-N 3.14Å; I231-K233 VanDerWaalsContact C-N 3.29Å; I231-K233 PolarHBondContact O-N 3.44Å; I231-V234 PolarHBondContact O-N 2.72Å; I231-L237 HydrophobicContact CB-CD2 4.38Å; I231-L237 HydrophobicContact CG1-CD2 4.27Å; I231-L237 HydrophobicContact CG2-CB 4.31Å; I231-L237 HydrophobicContact CG2-CD2 4.08Å; I231-L237 HydrophobicContact CG2-CG 4.09Å; I231-K238 HydrophobicContact CG2-CG 4.01Å; I231-L241 HydrophobicContact CD1-CD1 3.61Å; I231-L241 HydrophobicContact CG1-CD1 4.1Å; I231-L241 HydrophobicContact CG2-CD1 3.93Å
232K95.1Very high95.9Very high134 Ų13468.3 Ų68.358%0.58335%0.35SS*.Hα-helixtrans-63.3-33.2176.4-82.8170.8-179.9-169.80112.7L228 P229 L230 V234L228-K232 WeakPolarHBondContact O-CB 3.45Å; L228-K232 VanDerWaalsContact O-CG 3.3Å; L228-K232 WeakPolarHBondContact O-CG 3.31Å; L228-K232 PolarHBondContact O-N 3.01Å; P229-K232 WeakPolarHBondContact O-CB 3.3Å; P229-K232 PolarHBondContact O-N 2.85Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 3.37Å; K232-V234 VanDerWaalsContact C-N 3.29Å; K232-V234 PolarHBondContact O-N 2.85Å
233K94.9Very high96Very high164 Ų16467.8 Ų67.871%0.71335%0.348SS*.Hα-helixtrans-66.8-29.6179.2-70.4176.3-178.7-172.20112.7P229 L230 I231 P235P229-K233 WeakPolarHBondContact O-CG 3.41Å; P229-K233 PolarHBondContact O-N 2.68Å; L230-K233 PolarHBondContact O-N 3.27Å; I231-K233 VanDerWaalsContact C-N 3.29Å; I231-K233 PolarHBondContact O-N 3.44Å; K233-P235 WeakPolarHBondContact O-CD 3.49Å
234V94.5Very high96Very high61 Ų6171.1 Ų71.137%0.3737%0.372SS..SBendtrans-87.5119.6179-175.30000109.4I231 K232 Q236 L237I231-V234 PolarHBondContact O-N 2.72Å; K232-V234 VanDerWaalsContact C-N 3.29Å; K232-V234 PolarHBondContact O-N 2.85Å; V234-Q236 PolarHBondContact O-N 2.88Å; V234-L237 HydrophobicContact CB-CB 3.87Å; V234-L237 HydrophobicContact CB-CD2 3.8Å; V234-L237 HydrophobicContact CB-CG 4.46Å; V234-L237 HydrophobicContact CG1-CB 3.89Å; V234-L237 HydrophobicContact CG1-CD2 4.12Å; V234-L237 HydrophobicContact CG1-CG 4.5Å; V234-L237 HydrophobicContact CG2-CD2 4.1Å; V234-L237 PolarHBondContact O-N 2.91Å
235P95.6Very high96.1Very high111 Ų11172.7 Ų72.772%0.72138%0.378SS*.THydrogen-bonded Turntrans-54.9139.7178.7-25.634.6000111.9K233 L237K233-P235 WeakPolarHBondContact O-CD 3.49Å; P235-L237 PolarHBondContact O-N 2.8Å
236Q95.3Very high96.1Very high180 Ų18074.1 Ų74.184%0.84139%0.387SS*.THydrogen-bonded Turntrans60.3-3.4175.2-54.8179.1-4.700116.9V234 K238 G239 Y240V234-Q236 PolarHBondContact O-N 2.88Å; Q236-K238 VanDerWaalsContact C-N 3.26Å; Q236-K238 PolarHBondContact O-N 3.28Å; Q236-G239 PolarHBondContact O-N 3.04Å; Q236-G239 VanDerWaalsContact O-N 3.08Å; Q236-Y240 PolarHBondContact O-N 2.8Å; Q236-Y240 VanDerWaalsContact O-N 3.11Å
237L96.7Very high96.1Very high6 Ų674.8 Ų74.83%0.03139%0.393CS..Hα-helixtrans-64.1-29.9-175.8-173.263.2000113.1T169 V171 I231 V234 P235 G239 Y240 L241T169-L237 HydrophobicContact CG2-CD1 4.01Å; V171-L237 HydrophobicContact CG2-CD2 3.58Å; I231-L237 HydrophobicContact CB-CD2 4.38Å; I231-L237 HydrophobicContact CG1-CD2 4.27Å; I231-L237 HydrophobicContact CG2-CB 4.31Å; I231-L237 HydrophobicContact CG2-CD2 4.08Å; I231-L237 HydrophobicContact CG2-CG 4.09Å; V234-L237 HydrophobicContact CB-CB 3.87Å; V234-L237 HydrophobicContact CB-CD2 3.8Å; V234-L237 HydrophobicContact CB-CG 4.46Å; V234-L237 HydrophobicContact CG1-CB 3.89Å; V234-L237 HydrophobicContact CG1-CD2 4.12Å; V234-L237 HydrophobicContact CG1-CG 4.5Å; V234-L237 HydrophobicContact CG2-CD2 4.1Å; V234-L237 PolarHBondContact O-N 2.91Å; P235-L237 PolarHBondContact O-N 2.8Å; L237-G239 PolarHBondContact O-N 3.47Å; L237-Y240 HydrophobicContact CD1-CD1 3.89Å; L237-Y240 PolarHBondContact O-N 3.03Å; L237-L241 HydrophobicContact CD1-CG 4.36Å; L237-L241 HydrophobicContact CG-CD1 4.23Å; L237-L241 HydrophobicContact CG-CG 4.34Å; L237-L241 WeakPolarHBondContact O-CG 3.14Å; L237-L241 PolarHBondContact O-N 2.83Å
238K96.4Very high96.1Very high99 Ų9978.4 Ų78.443%0.4342%0.418SS..Hα-helixtrans-58.9-46.1173.3-67.9179.9-173.6164.80112.3I231 Q236 L241 R242I231-K238 HydrophobicContact CG2-CG 4.01Å; Q236-K238 VanDerWaalsContact C-N 3.26Å; Q236-K238 PolarHBondContact O-N 3.28Å; K238-L241 PolarHBondContact O-N 3.49Å; K238-R242 WeakPolarHBondContact O-CB 3.34Å; K238-R242 PolarHBondContact O-N 2.81Å; K238-R242 VanDerWaalsContact O-N 3.08Å
239G97.3Very high96.2Very high46 Ų4684.2 Ų84.247%0.47445%0.449SS..Hα-helixtrans-68.1-40.3178.500000111.1Q236 L237 L241 R242 S243Q236-G239 PolarHBondContact O-N 3.04Å; Q236-G239 VanDerWaalsContact O-N 3.08Å; L237-G239 PolarHBondContact O-N 3.47Å; G239-L241 PolarHBondContact O-N 2.79Å; G239-R242 PolarHBondContact O-N 3.37Å; G239-S243 PolarHBondContact O-N 3.39Å; G239-S243 PolarHBondContact O-OG 3.4Å
240Y97.8Very high96.2Very high68 Ų6884 Ų8427%0.26746%0.458SS..Hα-helixtrans-58.6-44.7174.2-176.3-106000112.6V119 R131 Q236 L237 S243V119-Y240 HydrophobicContact CG1-CE1 4.01Å; R131-Y240 WeakPolarHBondContact CD-O 3.24Å; R131-Y240 HydrophobicContact CG-CE1 4.43Å; R131-Y240 PolarHBondContact NH1-O 3.02Å; Q236-Y240 PolarHBondContact O-N 2.8Å; Q236-Y240 VanDerWaalsContact O-N 3.11Å; L237-Y240 HydrophobicContact CD1-CD1 3.89Å; L237-Y240 PolarHBondContact O-N 3.03Å; Y240-S243 PolarHBondContact O-OG 3.18Å
241L97.5Very high96.2Very high1 Ų184.4 Ų84.41%0.00546%0.462CS..Hα-helixtrans-73.5-26.8178.8-70.4176.3000114V119 R131 V133 L151 N152 I231 L237 K238 G239V119-L241 HydrophobicContact CG1-CD2 3.84Å; V119-L241 HydrophobicContact CG2-CD2 4.24Å; R131-L241 HydrophobicContact CB-CD2 4.11Å; V133-L241 HydrophobicContact CG2-CD1 4.31Å; V133-L241 HydrophobicContact CG2-CD2 4.34Å; L151-L241 HydrophobicContact CD1-CB 4.39Å; L151-L241 HydrophobicContact CD1-CD1 4.29Å; N152-L241 WeakPolarHBondContact CB-O 3.16Å; N152-L241 PolarHBondContact ND2-O 3.4Å; I231-L241 HydrophobicContact CD1-CD1 3.61Å; I231-L241 HydrophobicContact CG1-CD1 4.1Å; I231-L241 HydrophobicContact CG2-CD1 3.93Å; L237-L241 HydrophobicContact CD1-CG 4.36Å; L237-L241 HydrophobicContact CG-CD1 4.23Å; L237-L241 HydrophobicContact CG-CG 4.34Å; L237-L241 WeakPolarHBondContact O-CG 3.14Å; L237-L241 PolarHBondContact O-N 2.83Å; K238-L241 PolarHBondContact O-N 3.49Å; G239-L241 PolarHBondContact O-N 2.79Å
242R97.2Very high96.2Very high189 Ų18990.5 Ų90.571%0.71349%0.486SS*.Hα-helixtrans-77.5-33177.5-175.3170176.1175.9-1.9112.2K238 G239K238-R242 WeakPolarHBondContact O-CB 3.34Å; K238-R242 PolarHBondContact O-N 2.81Å; K238-R242 VanDerWaalsContact O-N 3.08Å; G239-R242 PolarHBondContact O-N 3.37Å
243S96.9Very high96.2Very high51 Ų5187.2 Ų87.236%0.35748%0.479SS..SBendtrans-73.6149.517848.80000112.2R131 G239 Y240R131-S243 PolarHBondContact NH1-OG 2.81Å; G239-S243 PolarHBondContact O-N 3.39Å; G239-S243 PolarHBondContact O-OG 3.4Å; Y240-S243 PolarHBondContact O-OG 3.18Å
244S96.4Very high96.3Very high73 Ų7386.5 Ų86.551%0.5148%0.477SS..BIsolated β-bridgetrans-95.3142.9177.1-59.70000109.9
245F97.2Very high96.4Very high45 Ų4590.9 Ų90.920%0.19749%0.491CS..PPolyproline II helixtrans-76.8129.3168.7176.8-103.2000110.2V121 G129 L247 L256 F258V121-F245 HydrophobicContact CG1-CB 3.65Å; V121-F245 HydrophobicContact CG1-CD1 3.86Å; V121-F245 HydrophobicContact CG1-CG 3.95Å; V121-F245 HydrophobicContact CG2-CB 4.46Å; G129-F245 WeakPolarHBondContact CA-O 3.44Å; G129-F245 WeakPolarHBondContact O-CB 2.91Å; G129-F245 PolarHBondContact O-N 3.44Å; F245-L247 HydrophobicContact CE1-CD2 4.37Å; F245-L247 HydrophobicContact CE1-CG 4.45Å; F245-L247 HydrophobicContact CE2-CD2 4.41Å; F245-L247 HydrophobicContact CZ-CD2 3.68Å; F245-L247 HydrophobicContact CZ-CG 4.22Å; F245-L256 HydrophobicContact CE2-CD1 4.48Å; F245-L256 HydrophobicContact CZ-CD1 4.46Å; F245-F258 HydrophobicContact CE1-CE1 4.43Å; F245-F258 AromaticContact CE2-CE1 3.7Å; F245-F258 HydrophobicContact CE2-CE1 3.7Å; F245-F258 HydrophobicContact CE2-CZ 4.41Å; F245-F258 AromaticContact CZ-CE1 3.58Å; F245-F258 HydrophobicContact CZ-CE1 3.58Å; F245-F258 AromaticContact CZ-CZ 3.94Å; F245-F258 HydrophobicContact CZ-CZ 3.94Å
246C96.2Very high96.4Very high103 Ų10388.5 Ų88.570%0.69647%0.473SS*.  trans-140.5161.7167.955.40000108.6
247L96.3Very high96.5Very high86 Ų8686.7 Ų86.745%0.4547%0.473SS..PPolyproline II helixtrans-97.8129.1167.9-62.9170.7000107.3F245 V251 P253 L256F245-L247 HydrophobicContact CE1-CD2 4.37Å; F245-L247 HydrophobicContact CE1-CG 4.45Å; F245-L247 HydrophobicContact CE2-CD2 4.41Å; F245-L247 HydrophobicContact CZ-CD2 3.68Å; F245-L247 HydrophobicContact CZ-CG 4.22Å; L247-V251 HydrophobicContact CD2-CG1 4.31Å; L247-P253 HydrophobicContact CD1-CG 3.5Å; L247-P253 HydrophobicContact CD2-CG 4Å; L247-P253 HydrophobicContact CG-CG 4.42Å; L247-L256 HydrophobicContact CD2-CD1 3.87Å
248S95.6Very high96.3Very high75 Ų7589.8 Ų89.852%0.52449%0.487SS..PPolyproline II helixtrans-93.7165.3169.455.90000110.2G250 V251S248-G250 PolarHBondContact O-N 3.47Å; S248-V251 PolarHBondContact O-N 2.77Å; S248-V251 VanDerWaalsContact O-N 3.12Å; S248-V251 VanDerWaalsContact OG-CG2 3.24Å; S248-V251 WeakPolarHBondContact OG-CG2 3.36Å
249N96.2Very high96.3Very high167 Ų16789.4 Ų89.489%0.89349%0.49SS*.THydrogen-bonded Turntrans-56.2138.6173.8-65.9-13.1000110.2V251N249-V251 VanDerWaalsContact C-N 3.27Å; N249-V251 PolarHBondContact O-N 2.85Å
250G95.3Very high96.3Very high59 Ų5991.6 Ų91.661%0.60849%0.49SS*.THydrogen-bonded Turntrans81.5-8.7-176.900000115.6S248 Y252S248-G250 PolarHBondContact O-N 3.47Å; G250-Y252 WeakPolarHBondContact O-CD2 3.48Å
251V95.9Very high96.2Very high53 Ų5392.9 Ų92.932%0.32150%0.503SS..  trans-99.4109.9178.4-178.20000110.7L247 S248 N249 L256L247-V251 HydrophobicContact CD2-CG1 4.31Å; S248-V251 PolarHBondContact O-N 2.77Å; S248-V251 VanDerWaalsContact O-N 3.12Å; S248-V251 VanDerWaalsContact OG-CG2 3.24Å; S248-V251 WeakPolarHBondContact OG-CG2 3.36Å; N249-V251 VanDerWaalsContact C-N 3.27Å; N249-V251 PolarHBondContact O-N 2.85Å; V251-L256 HydrophobicContact CG1-CD1 3.73Å; V251-L256 HydrophobicContact CG1-CD2 3.67Å; V251-L256 HydrophobicContact CG1-CG 3.89Å
252Y96.5Very high96.1Very high130 Ų13098.4 Ų98.451%0.5153%0.532SS..  trans-102.9128.2-177.5-57.7-79.9000112.3G250 H254 K255 L256G250-Y252 WeakPolarHBondContact O-CD2 3.48Å; Y252-H254 WeakPolarHBondContact CB-CE1 3.32Å; Y252-H254 AromaticContact CG-CE1 3.91Å; Y252-H254 PolarHBondContact O-N 2.83Å; Y252-H254 VanDerWaalsContact O-N 3.11Å; Y252-K255 PolarHBondContact O-N 3.29Å; Y252-L256 PolarHBondContact O-N 3.06Å
253P95.1Very high96Very high64 Ų6492.7 Ų92.742%0.41652%0.521SS..THydrogen-bonded Turntrans-58-29.1-175.9-28.835.6000115.9L247 K255 L256L247-P253 HydrophobicContact CD1-CG 3.5Å; L247-P253 HydrophobicContact CD2-CG 4Å; L247-P253 HydrophobicContact CG-CG 4.42Å; P253-K255 VanDerWaalsContact C-N 3.25Å; P253-K255 PolarHBondContact O-N 3.03Å; P253-L256 PolarHBondContact O-N 3.37Å
254H96.6Very high96Very high149 Ų14995.5 Ų95.569%0.6953%0.532SS*.THydrogen-bonded Turntrans-72.2-19.5178.865.1-94.1000113Y252Y252-H254 WeakPolarHBondContact CB-CE1 3.32Å; Y252-H254 AromaticContact CG-CE1 3.91Å; Y252-H254 PolarHBondContact O-N 2.83Å; Y252-H254 VanDerWaalsContact O-N 3.11Å
255K96.6Very high96Very high153 Ų15397.1 Ų97.167%0.66553%0.533SS*.THydrogen-bonded Turntrans-93.9-14.6173.9-57.1-170.7178-179.80112.4Y252 P253Y252-K255 PolarHBondContact O-N 3.29Å; P253-K255 VanDerWaalsContact C-N 3.25Å; P253-K255 PolarHBondContact O-N 3.03Å
256L96.1Very high95.9Very high62 Ų62101.1 Ų101.133%0.32556%0.559SS.*  trans-77.8134.4-179.8-71-177.1000110.9F245 L247 V251 Y252 P253 F258F245-L256 HydrophobicContact CE2-CD1 4.48Å; F245-L256 HydrophobicContact CZ-CD1 4.46Å; L247-L256 HydrophobicContact CD2-CD1 3.87Å; V251-L256 HydrophobicContact CG1-CD1 3.73Å; V251-L256 HydrophobicContact CG1-CD2 3.67Å; V251-L256 HydrophobicContact CG1-CG 3.89Å; Y252-L256 PolarHBondContact O-N 3.06Å; P253-L256 PolarHBondContact O-N 3.37Å; L256-F258 HydrophobicContact CB-CD2 4.27Å; L256-F258 HydrophobicContact CB-CE1 4.49Å; L256-F258 HydrophobicContact CB-CE2 3.71Å; L256-F258 HydrophobicContact CB-CZ 3.86Å; L256-F258 HydrophobicContact CD1-CE1 4.09Å; L256-F258 HydrophobicContact CD1-CE2 4.35Å; L256-F258 HydrophobicContact CD1-CZ 3.65Å; L256-F258 HydrophobicContact CG-CZ 4.43Å
257V95.8Very high95.8Very high141 Ų141100.9 Ų100.986%0.85555%0.548SS*.  trans-96.2119.7164.7-176.50000107.2
258F93.9Very high95.8Very high72 Ų72102.3 Ų102.332%0.31656%0.557SS.*  trans-94.30-179-69.9-79.8000111.3I165 T167 A168 F245 L256I165-F258 HydrophobicContact CD1-CD1 4.46Å; I165-F258 HydrophobicContact CD1-CE1 4.04Å; I165-F258 HydrophobicContact CD1-CZ 4.09Å; I165-F258 HydrophobicContact CG2-CB 3.68Å; I165-F258 HydrophobicContact CG2-CD1 3.71Å; I165-F258 HydrophobicContact CG2-CD2 4.08Å; I165-F258 HydrophobicContact CG2-CE1 4.32Å; I165-F258 HydrophobicContact CG2-CG 3.55Å; T167-F258 WeakPolarHBondContact CA-OXT 3.18Å; T167-F258 WeakPolarHBondContact CB-OXT 3.45Å; A168-F258 VanDerWaalsContact N-C 3.34Å; A168-F258 PolarHBondContact N-O 3.21Å; A168-F258 VanDerWaalsContact N-O 3.17Å; A168-F258 PolarHBondContact N-OXT 3.14Å; F245-F258 HydrophobicContact CE1-CE1 4.43Å; F245-F258 AromaticContact CE2-CE1 3.7Å; F245-F258 HydrophobicContact CE2-CE1 3.7Å; F245-F258 HydrophobicContact CE2-CZ 4.41Å; F245-F258 AromaticContact CZ-CE1 3.58Å; F245-F258 HydrophobicContact CZ-CE1 3.58Å; F245-F258 AromaticContact CZ-CZ 3.94Å; F245-F258 HydrophobicContact CZ-CZ 3.94Å; L256-F258 HydrophobicContact CB-CD2 4.27Å; L256-F258 HydrophobicContact CB-CE1 4.49Å; L256-F258 HydrophobicContact CB-CE2 3.71Å; L256-F258 HydrophobicContact CB-CZ 3.86Å; L256-F258 HydrophobicContact CD1-CE1 4.09Å; L256-F258 HydrophobicContact CD1-CE2 4.35Å; L256-F258 HydrophobicContact CD1-CZ 3.65Å; L256-F258 HydrophobicContact CG-CZ 4.43Å

Retrieved 258 of 258 residues in 1281.8 ms (Link to these results)