A0A090N7X3_HUMAN Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A090N7X3, Species HUMAN (Homo sapiens, Human), Gene LOC349136, Length 277 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.7Low85.2Confident248 Ų248125.7 Ų125.7100%1.22262%0.618SS**  0149.80-67.1176.5174.800108.1
2S75.8Confident86Confident122 Ų122121.3 Ų121.385%0.85360%0.603SS**  trans-89151.2166.243.20000110.3
3R82.5Confident86.6Confident140 Ų140118.5 Ų118.553%0.52859%0.591SS.*  trans-132.7139.6172.3175.6178.3-86.2166.9-10108.3V52 A53R3-V52 PolarHBondContact NH1-O 2.68Å; R3-A53 VanDerWaalsContact NH1-C 3.28Å; R3-A53 PolarHBondContact NH1-O 2.93Å
4E87.8Confident87Confident130 Ų130111.6 Ų111.661%0.60756%0.559SS**  trans-107.2137.7179.5-65.1-178.2-163.700111.1R6E4-R6 HydrophobicContact CB-CG 4.45Å; E4-R6 IonicContact OE1-NH2 3.81Å; E4-R6 IonicContact OE2-CZ 3.13Å; E4-R6 IonicContact OE2-NE 2.75Å; E4-R6 PolarHBondContact OE2-NE 2.75Å; E4-R6 IonicContact OE2-NH2 2.68Å; E4-R6 PolarHBondContact OE2-NH2 2.88Å
5F87.8Confident87.5Confident64 Ų64111.8 Ų111.828%0.28156%0.561SS.*  trans-103.3106.4173.8-60.2-90.8000108.7L38 W50 V52F5-L38 HydrophobicContact CD2-CD2 3.92Å; F5-L38 HydrophobicContact CE2-CD2 3.86Å; F5-L38 HydrophobicContact CG-CD2 4.35Å; F5-L38 HydrophobicContact CZ-CD2 4.23Å; F5-W50 HydrophobicContact CB-CD2 4Å; F5-W50 HydrophobicContact CB-CE3 4.07Å; F5-W50 HydrophobicContact CB-CG 4.48Å; F5-W50 HydrophobicContact CB-CZ2 4.42Å; F5-W50 HydrophobicContact CB-CZ3 4.31Å; F5-W50 HydrophobicContact CD1-CB 3.69Å; F5-W50 AromaticContact CD1-CD2 3.83Å; F5-W50 HydrophobicContact CD1-CD2 3.83Å; F5-W50 AromaticContact CD1-CE3 3.76Å; F5-W50 HydrophobicContact CD1-CE3 3.76Å; F5-W50 AromaticContact CD1-CG 3.82Å; F5-W50 HydrophobicContact CD1-CG 3.82Å; F5-W50 HydrophobicContact CE1-CB 3.82Å; F5-W50 HydrophobicContact CE1-CG 4.44Å; F5-W50 HydrophobicContact CG-CD2 4.3Å; F5-W50 HydrophobicContact CG-CE3 4.4Å; F5-W50 HydrophobicContact CG-CG 4.39Å; F5-V52 HydrophobicContact CZ-CB 4.4Å; F5-V52 HydrophobicContact CZ-CG1 4.31Å; F5-V52 HydrophobicContact CZ-CG2 4.12Å
6R88.6Confident87.8Confident194 Ų194106.1 Ų106.173%0.73254%0.537SS*.  trans-112.6132.9-176.8-63.3-174.8178.6-162.11.5110.4E4 W50E4-R6 HydrophobicContact CB-CG 4.45Å; E4-R6 IonicContact OE1-NH2 3.81Å; E4-R6 IonicContact OE2-CZ 3.13Å; E4-R6 IonicContact OE2-NE 2.75Å; E4-R6 PolarHBondContact OE2-NE 2.75Å; E4-R6 IonicContact OE2-NH2 2.68Å; E4-R6 PolarHBondContact OE2-NH2 2.88Å; R6-W50 WeakPolarHBondContact O-CH2 3.35Å
7G88Confident87.8Confident46 Ų46106.9 Ų106.947%0.47453%0.533SS..  trans151.3-6.4175.500000116.8K48G7-K48 VanDerWaalsContact O-CE 3.23Å; G7-K48 WeakPolarHBondContact O-CE 3.25Å
8H91.1Very high87.7Confident35 Ų35101.2 Ų101.216%0.16251%0.505CS..  trans-66.2150.2158.8-79.5-62.8000110.2V12 T40 S42 D44H8-V12 HydrophobicContact CB-CG2 4.16Å; H8-V12 VanDerWaalsContact CD2-CG2 3.43Å; H8-V12 WeakPolarHBondContact CD2-CG2 3.49Å; H8-T40 PolarHBondContact CE1-O 2.73Å; H8-T40 PolarHBondContact NE2-O 2.86Å; H8-T40 PolarHBondContact NE2-OG1 3.04Å; H8-S42 VanDerWaalsContact ND1-CB 3.27Å; H8-S42 WeakPolarHBondContact ND1-CB 3.24Å; H8-D44 IonicContact ND1-OD2 3.77Å
9R89.3Confident87.1Confident220 Ų22096.5 Ų96.583%0.8348%0.484SS*.SBendtrans-90.5-32.7-177.5-66.1-177.2173.6-164.6-4.8112.3D44R9-D44 HydrophobicContact CB-CB 4.12Å; R9-D44 PolarHBondContact N-OD2 2.63Å
10N93.4Very high86Confident94 Ų9494.3 Ų94.350%0.50348%0.477SS..SBendtrans-122.8-169.9178.4-61.1-22.1000110.8V12 T43 D44N10-V12 PolarHBondContact O-N 2.85Å; N10-T43 WeakPolarHBondContact CB-OG1 3.48Å; N10-D44 HydrophobicContact CB-CB 4.16Å; N10-D44 PolarHBondContact N-OD2 3.26Å
11C93.1Very high84.7Confident90 Ų9099.9 Ų99.961%0.60849%0.492SS*.  trans-61.2130.3178.5-58.30000112.6S42 T43C11-S42 PolarHBondContact O-OG 2.86Å; C11-T43 PolarHBondContact N-OG1 3.45Å; C11-T43 PolarHBondContact O-N 2.96Å; C11-T43 PolarHBondContact O-OG1 2.93Å
12V94.8Very high84.4Confident72 Ų7290 Ų9044%0.43644%0.444SS..EExtended strand (participates in β ladder)trans-72.5131166.2-1750000108.9H8 N10 T40 G41H8-V12 HydrophobicContact CB-CG2 4.16Å; H8-V12 VanDerWaalsContact CD2-CG2 3.43Å; H8-V12 WeakPolarHBondContact CD2-CG2 3.49Å; N10-V12 PolarHBondContact O-N 2.85Å; V12-T40 HydrophobicContact CG1-CG2 4.42Å; V12-G41 WeakPolarHBondContact CG1-O 3.37Å
13L93.7Very high83.4Confident85 Ų8585.4 Ų85.445%0.44541%0.41SS..EExtended strand (participates in β ladder)trans-108.4-31.7-178.8-63.1-175.6000113.4G41 T43 A67 L69L13-G41 PolarHBondContact N-O 3.44Å; L13-T43 HydrophobicContact CD1-CG2 3.62Å; L13-T43 HydrophobicContact CD2-CG2 3.92Å; L13-T43 HydrophobicContact CG-CG2 3.79Å; L13-A67 HydrophobicContact CD1-CB 4.17Å; L13-L69 HydrophobicContact CD1-CD2 3.62Å
14T92.8Very high81.8Confident23 Ų2382 Ų8214%0.14141%0.406CS..EExtended strand (participates in β ladder)trans-142.4146.9-171.7-1740000110.1T40 G41 V68 L71T14-T40 CarbonylContact O-C 3.53Å; T14-T40 WeakPolarHBondContact O-CA 3.23Å; T14-G41 PolarHBondContact N-O 2.84Å; T14-G41 PolarHBondContact O-N 2.82Å; T14-V68 HydrophobicContact CG2-CG1 4.16Å; T14-L71 HydrophobicContact CG2-CB 3.76Å; T14-L71 PolarHBondContact OG1-N 2.81Å
15L94.3Very high79.9Confident114 Ų11482 Ų8260%0.59742%0.42SS*.EExtended strand (participates in β ladder)trans-144.7148.9174.867.790.3000110L38 V39 T40L15-L38 HydrophobicContact CB-CD1 4.37Å; L15-L38 HydrophobicContact CD1-CD1 4.25Å; L15-V39 CarbonylContact C-O 3.44Å; L15-V39 VanDerWaalsContact CA-O 3.24Å; L15-V39 WeakPolarHBondContact CA-O 3.48Å; L15-T40 HydrophobicContact CB-CG2 3.96Å
16A91.8Very high78Confident21 Ų2182.3 Ų82.317%0.17443%0.428CS..EExtended strand (participates in β ladder)trans-141.3151.916900000109.2V39 L71 L73A16-V39 PolarHBondContact N-O 3.47Å; A16-V39 PolarHBondContact O-N 3.29Å; A16-L71 HydrophobicContact CB-CD2 3.6Å; A16-L73 HydrophobicContact CB-CD1 3.92Å; A16-L73 HydrophobicContact CB-CD2 4.47Å; A16-L73 HydrophobicContact CB-CG 3.81Å
17Y89Confident76.2Confident120 Ų12078.6 Ų78.647%0.47143%0.428SS..EExtended strand (participates in β ladder)trans-128.3134.2-176171.3-104.2000109.9A19 L37 L38 V52Y17-A19 HydrophobicContact CE1-CB 4.23Å; Y17-L37 WeakPolarHBondContact CA-O 3.31Å; Y17-L38 HydrophobicContact CD2-CB 4.45Å; Y17-V52 HydrophobicContact CD2-CG2 4.35Å; Y17-V52 HydrophobicContact CE2-CG2 4.05Å
18S84.8Confident74.2Confident3 Ų382.7 Ų82.72%0.02145%0.448CS..EExtended strand (participates in β ladder)trans-103.4129.9169.5-169.70000108.1D22 G36 L37 T75S18-D22 WeakPolarHBondContact OG-CB 3.2Å; S18-G36 VanDerWaalsContact O-CA 3.29Å; S18-G36 WeakPolarHBondContact O-CA 3.39Å; S18-L37 PolarHBondContact N-O 3.13Å; S18-L37 PolarHBondContact O-N 3.49Å; S18-T75 WeakPolarHBondContact OG-CG2 3.06Å
19A76.4Confident72.3Confident13 Ų1382.1 Ų82.111%0.10745%0.45CS..  trans-73.7161.6177.800000111Y17 W21 D22Y17-A19 HydrophobicContact CE1-CB 4.23Å; A19-W21 HydrophobicContact CB-CD2 4.29Å; A19-W21 HydrophobicContact CB-CG 4.35Å; A19-W21 HydrophobicContact CB-CZ2 4.22Å; A19-W21 PolarHBondContact O-N 3Å; A19-D22 WeakPolarHBondContact CA-OD2 3.49Å; A19-D22 VanDerWaalsContact CB-OD2 3.28Å; A19-D22 WeakPolarHBondContact CB-OD2 3.49Å; A19-D22 PolarHBondContact N-OD2 3.3Å; A19-D22 WeakPolarHBondContact O-CB 3.43Å; A19-D22 PolarHBondContact O-N 3.47Å
20P65.8Low70.4Confident52 Ų5278.2 Ų78.234%0.33844%0.441SS..G310 helixtrans-58.9-33.3179.6-23.332000113.7A33P20-A33 WeakPolarHBondContact CA-O 3.39Å; P20-A33 WeakPolarHBondContact CB-O 3.44Å
21W58Low68.3Low211 Ų21181.9 Ų81.980%0.79946%0.455SS*.G310 helixtrans-84.8-5.7-176.156.2-100000114.3A19 L23A19-W21 HydrophobicContact CB-CD2 4.29Å; A19-W21 HydrophobicContact CB-CG 4.35Å; A19-W21 HydrophobicContact CB-CZ2 4.22Å; A19-W21 PolarHBondContact O-N 3Å; W21-L23 PolarHBondContact O-N 3.41Å
22D54.8Low66.1Low41 Ų4178.4 Ų78.422%0.21943%0.433CS..G310 helixtrans-76-11.9174.3-79.8-70.5000113.2S18 A19 T75S18-D22 WeakPolarHBondContact OG-CB 3.2Å; A19-D22 WeakPolarHBondContact CA-OD2 3.49Å; A19-D22 VanDerWaalsContact CB-OD2 3.28Å; A19-D22 WeakPolarHBondContact CB-OD2 3.49Å; A19-D22 PolarHBondContact N-OD2 3.3Å; A19-D22 WeakPolarHBondContact O-CB 3.43Å; A19-D22 PolarHBondContact O-N 3.47Å; D22-T75 HydrophobicContact CB-CG2 4.28Å; D22-T75 PolarHBondContact OD1-OG1 3.02Å
23L54.5Low64Low25 Ų2575.7 Ų75.713%0.13142%0.418CS..SBendtrans-105.2136.8-173.4-57.2172.4000109.8W21 A33 L37 H78W21-L23 PolarHBondContact O-N 3.41Å; L23-A33 HydrophobicContact CB-CB 4.14Å; L23-A33 HydrophobicContact CD1-CB 3.65Å; L23-L37 HydrophobicContact CD1-CD1 4.08Å; L23-L37 HydrophobicContact CD1-CG 4.38Å; L23-H78 VanDerWaalsContact CD2-CE1 3.45Å; L23-H78 WeakPolarHBondContact CD2-CE1 3.37Å; L23-H78 WeakPolarHBondContact CD2-ND1 3.34Å
24P48.7Very low62.1Low68 Ų6875 Ų7544%0.44242%0.424SS..  trans-68.2137.2-179.230.3-34.1000110T26 H78P24-T26 PolarHBondContact O-N 3.12Å; P24-H78 WeakPolarHBondContact CD-CE1 3.42Å; P24-H78 WeakPolarHBondContact CD-NE2 3.45Å
25S47.5Very low60.9Low130 Ų13074.4 Ų74.491%0.90942%0.423SS*.  trans-69.570.2179.838.10000112.4
26T47.7Very low60.5Low72 Ų7269 Ų6944%0.44240%0.395SS..  trans-92.8129.6166.559.80000109P24 C28 A29P24-T26 PolarHBondContact O-N 3.12Å; T26-C28 PolarHBondContact O-N 2.94Å; T26-A29 PolarHBondContact O-N 2.77Å; T26-A29 WeakPolarHBondContact OG1-CB 3.27Å
27P50.4Low60.4Low115 Ų11568 Ų6875%0.74739%0.387SS*.THydrogen-bonded Turntrans-66.7-12.9-171.626.2-35.3000113.8
28C47.3Very low60.5Low132 Ų13263.6 Ų63.689%0.89237%0.371SS*.THydrogen-bonded Turntrans-87.8-11.2176.5-54.60000113.9T26T26-C28 PolarHBondContact O-N 2.94Å
29A49.7Very low60.9Low24 Ų2463.4 Ų63.420%0.19837%0.37CS..THydrogen-bonded Turntrans-106.7-4.3-178.200000113.5T26 E31 A32 A33T26-A29 PolarHBondContact O-N 2.77Å; T26-A29 WeakPolarHBondContact OG1-CB 3.27Å; A29-E31 PolarHBondContact O-N 3.44Å; A29-A32 PolarHBondContact O-N 3.33Å; A29-A32 VanDerWaalsContact O-N 3.14Å; A29-A33 WeakPolarHBondContact O-CB 3.48Å; A29-A33 PolarHBondContact O-N 3.27Å
30E50.5Low61.8Low137 Ų13763.3 Ų63.364%0.6437%0.368SS*.Hα-helixtrans-65.2-36.9-162.6-158.7174.2-176.100113.6A32 A33 A34E30-A32 PolarHBondContact O-N 2.82Å; E30-A33 PolarHBondContact O-N 3.14Å; E30-A34 WeakPolarHBondContact O-CB 3.29Å; E30-A34 PolarHBondContact O-N 3.04Å
31E48.4Very low63.2Low171 Ų17160.8 Ų60.880%0.79935%0.352SS*.Hα-helixtrans-59.6-45.5173.9-79-158.8107.900112.5A29 A33 Q51A29-E31 PolarHBondContact O-N 3.44Å; E31-A33 VanDerWaalsContact C-N 3.34Å; E31-Q51 PolarHBondContact O-NE2 2.8Å
32A47Very low65Low17 Ų1750.8 Ų50.814%0.1431%0.313CS..Hα-helixtrans-67.9-36.8179.100000111.4A29 E30 L37A29-A32 PolarHBondContact O-N 3.33Å; A29-A32 VanDerWaalsContact O-N 3.14Å; E30-A32 PolarHBondContact O-N 2.82Å; A32-L37 WeakPolarHBondContact O-CD2 3.39Å
33A51.4Low67Low15 Ų1551.2 Ų51.212%0.12432%0.318CS..Hα-helixtrans-76.8-36.6-178.100000114.1P20 L23 A29 E30 E31 G35 G36P20-A33 WeakPolarHBondContact CA-O 3.39Å; P20-A33 WeakPolarHBondContact CB-O 3.44Å; L23-A33 HydrophobicContact CB-CB 4.14Å; L23-A33 HydrophobicContact CD1-CB 3.65Å; A29-A33 WeakPolarHBondContact O-CB 3.48Å; A29-A33 PolarHBondContact O-N 3.27Å; E30-A33 PolarHBondContact O-N 3.14Å; E31-A33 VanDerWaalsContact C-N 3.34Å; A33-G35 PolarHBondContact O-N 3.02Å; A33-G36 PolarHBondContact O-N 3.34Å
34A54.6Low68.9Low70 Ų7051.9 Ų51.958%0.57932%0.321SS*.THydrogen-bonded Turntrans-58.2-19.6-170.800000115E30E30-A34 WeakPolarHBondContact O-CB 3.29Å; E30-A34 PolarHBondContact O-N 3.04Å
35G67.6Low71Confident11 Ų1148.9 Ų48.911%0.11330%0.303CS..THydrogen-bonded Turntrans-100.2-14.6173.800000116.2A33 V52 A53A33-G35 PolarHBondContact O-N 3.02Å; G35-V52 WeakPolarHBondContact O-CB 3.42Å; G35-A53 VanDerWaalsContact CA-CB 3.45Å
36G84.6Confident73.2Confident0 Ų043.8 Ų43.80%027%0.267CS..  trans72.7161.2-159.100000112.3S18 A33 V52S18-G36 VanDerWaalsContact O-CA 3.29Å; S18-G36 WeakPolarHBondContact O-CA 3.39Å; A33-G36 PolarHBondContact O-N 3.34Å; G36-V52 PolarHBondContact O-N 3.44Å; G36-V52 VanDerWaalsContact O-N 3.12Å
37L89.2Confident75.5Confident2 Ų240.5 Ų40.51%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-117.1124.9-172.9-63.3177.1000110.6Y17 S18 L23 A32 V49 Q51 I94 L95Y17-L37 WeakPolarHBondContact CA-O 3.31Å; S18-L37 PolarHBondContact N-O 3.13Å; S18-L37 PolarHBondContact O-N 3.49Å; L23-L37 HydrophobicContact CD1-CD1 4.08Å; L23-L37 HydrophobicContact CD1-CG 4.38Å; A32-L37 WeakPolarHBondContact O-CD2 3.39Å; L37-V49 HydrophobicContact CB-CG1 4.46Å; L37-V49 HydrophobicContact CD2-CG1 4.32Å; L37-Q51 HydrophobicContact CD2-CB 4.49Å; L37-I94 HydrophobicContact CD1-CG2 3.68Å; L37-L95 HydrophobicContact CD1-CD2 4.36Å
38L91.3Very high77.6Confident26 Ų2636.2 Ų36.214%0.13622%0.216CC..EExtended strand (participates in β ladder)trans-102.5118.5175.3174.268.9000108.7F5 L15 Y17 T40 V49 W50 V52F5-L38 HydrophobicContact CD2-CD2 3.92Å; F5-L38 HydrophobicContact CE2-CD2 3.86Å; F5-L38 HydrophobicContact CG-CD2 4.35Å; F5-L38 HydrophobicContact CZ-CD2 4.23Å; L15-L38 HydrophobicContact CB-CD1 4.37Å; L15-L38 HydrophobicContact CD1-CD1 4.25Å; Y17-L38 HydrophobicContact CD2-CB 4.45Å; L38-T40 HydrophobicContact CD1-CG2 4.44Å; L38-T40 HydrophobicContact CD2-CG2 4.36Å; L38-T40 HydrophobicContact CG-CG2 4.08Å; L38-V49 CarbonylContact O-C 3.56Å; L38-W50 HydrophobicContact CB-CB 4.37Å; L38-W50 PolarHBondContact N-O 2.9Å; L38-W50 PolarHBondContact O-N 2.72Å; L38-V52 HydrophobicContact CB-CG2 3.67Å
39V93.6Very high79.8Confident0 Ų030 Ų300%017%0.174CC..EExtended strand (participates in β ladder)trans-107.1137.2175.1-162.30000109.7L15 A16 K48 V49 L71 L73L15-V39 CarbonylContact C-O 3.44Å; L15-V39 VanDerWaalsContact CA-O 3.24Å; L15-V39 WeakPolarHBondContact CA-O 3.48Å; A16-V39 PolarHBondContact N-O 3.47Å; A16-V39 PolarHBondContact O-N 3.29Å; V39-K48 CarbonylContact C-O 3.57Å; V39-K48 WeakPolarHBondContact CA-O 3.49Å; V39-V49 HydrophobicContact CG1-CG2 4.1Å; V39-V49 HydrophobicContact CG2-CG1 4.37Å; V39-V49 HydrophobicContact CG2-CG2 4.15Å; V39-L71 HydrophobicContact CB-CD1 4.22Å; V39-L71 HydrophobicContact CB-CD2 3.97Å; V39-L71 HydrophobicContact CG1-CD1 3.62Å; V39-L71 HydrophobicContact CG1-CD2 4.15Å; V39-L73 HydrophobicContact CB-CD2 4.1Å; V39-L73 HydrophobicContact CG2-CD1 4.29Å; V39-L73 HydrophobicContact CG2-CD2 3.7Å
40T95.6Very high81.9Confident10 Ų1029.2 Ų29.26%0.06117%0.166CC..EExtended strand (participates in β ladder)trans-137.4128.8-170.449.30000111.2H8 V12 T14 L15 L38 A47 K48 W50H8-T40 PolarHBondContact CE1-O 2.73Å; H8-T40 PolarHBondContact NE2-O 2.86Å; H8-T40 PolarHBondContact NE2-OG1 3.04Å; V12-T40 HydrophobicContact CG1-CG2 4.42Å; T14-T40 CarbonylContact O-C 3.53Å; T14-T40 WeakPolarHBondContact O-CA 3.23Å; L15-T40 HydrophobicContact CB-CG2 3.96Å; L38-T40 HydrophobicContact CD1-CG2 4.44Å; L38-T40 HydrophobicContact CD2-CG2 4.36Å; L38-T40 HydrophobicContact CG-CG2 4.08Å; T40-A47 CarbonylContact O-C 3.56Å; T40-A47 WeakPolarHBondContact O-CA 3.15Å; T40-A47 WeakPolarHBondContact O-CB 3.39Å; T40-K48 PolarHBondContact N-O 2.98Å; T40-K48 PolarHBondContact O-N 2.64Å; T40-K48 PolarHBondContact OG1-O 3.42Å; T40-W50 PolarHBondContact OG1-NE1 3.03Å
41G95.7Very high83.7Confident0 Ų024.2 Ų24.20%014%0.143CC..EExtended strand (participates in β ladder)trans-103.1138.6177.600000112.5V12 L13 T14V12-G41 WeakPolarHBondContact CG1-O 3.37Å; L13-G41 PolarHBondContact N-O 3.44Å; T14-G41 PolarHBondContact N-O 2.84Å; T14-G41 PolarHBondContact O-N 2.82Å
42S96Very high85.6Confident0 Ų018.1 Ų18.10%012%0.117CC..EExtended strand (participates in β ladder)trans-120.7158.2-172.9176.50000113.8H8 C11 D44 G45 T46 V68H8-S42 VanDerWaalsContact ND1-CB 3.27Å; H8-S42 WeakPolarHBondContact ND1-CB 3.24Å; C11-S42 PolarHBondContact O-OG 2.86Å; S42-D44 WeakPolarHBondContact CB-OD1 3.38Å; S42-D44 WeakPolarHBondContact CB-OD2 3.48Å; S42-D44 PolarHBondContact O-N 3.03Å; S42-D44 PolarHBondContact OG-N 3.03Å; S42-D44 VanDerWaalsContact OG-N 3.13Å; S42-D44 PolarHBondContact OG-OD1 2.78Å; S42-D44 PolarHBondContact OG-OD2 2.77Å; S42-G45 PolarHBondContact O-N 3Å; S42-T46 PolarHBondContact N-O 2.93Å; S42-V68 PolarHBondContact O-N 3.48Å
43T95.4Very high87.4Confident50 Ų5019.9 Ų19.931%0.30713%0.132SC..THydrogen-bonded Turntrans-65.8-12167.338.20000113.8N10 C11 L13 G45 A67N10-T43 WeakPolarHBondContact CB-OG1 3.48Å; C11-T43 PolarHBondContact N-OG1 3.45Å; C11-T43 PolarHBondContact O-N 2.96Å; C11-T43 PolarHBondContact O-OG1 2.93Å; L13-T43 HydrophobicContact CD1-CG2 3.62Å; L13-T43 HydrophobicContact CD2-CG2 3.92Å; L13-T43 HydrophobicContact CG-CG2 3.79Å; T43-G45 PolarHBondContact O-N 3.25Å; T43-A67 HydrophobicContact CG2-CB 4.04Å
44D93.9Very high89Confident39 Ų3921.3 Ų21.321%0.20914%0.141CC..THydrogen-bonded Turntrans-80.13.5172.360.344.2000114.6H8 R9 N10 S42 T46H8-D44 IonicContact ND1-OD2 3.77Å; R9-D44 HydrophobicContact CB-CB 4.12Å; R9-D44 PolarHBondContact N-OD2 2.63Å; N10-D44 HydrophobicContact CB-CB 4.16Å; N10-D44 PolarHBondContact N-OD2 3.26Å; S42-D44 WeakPolarHBondContact CB-OD1 3.38Å; S42-D44 WeakPolarHBondContact CB-OD2 3.48Å; S42-D44 PolarHBondContact O-N 3.03Å; S42-D44 PolarHBondContact OG-N 3.03Å; S42-D44 VanDerWaalsContact OG-N 3.13Å; S42-D44 PolarHBondContact OG-OD1 2.78Å; S42-D44 PolarHBondContact OG-OD2 2.77Å; D44-T46 VanDerWaalsContact C-N 3.26Å; D44-T46 PolarHBondContact O-N 2.88Å; D44-T46 WeakPolarHBondContact OD1-CB 3.43Å; D44-T46 PolarHBondContact OD1-N 3.24Å; D44-T46 PolarHBondContact OD1-OG1 2.96Å
45G92.8Very high90.4Very high6 Ų618.9 Ų18.96%0.06212%0.122CC..SBendtrans786.8179.400000114.4S42 T43 G66S42-G45 PolarHBondContact O-N 3Å; T43-G45 PolarHBondContact O-N 3.25Å; G45-G66 WeakPolarHBondContact CA-O 3.14Å
46T95.4Very high91.4Very high23 Ų2321.8 Ų21.814%0.14114%0.14CC..EExtended strand (participates in β ladder)trans-104.8155.4170.975.70000112S42 D44 T60 L61 R62S42-T46 PolarHBondContact N-O 2.93Å; D44-T46 VanDerWaalsContact C-N 3.26Å; D44-T46 PolarHBondContact O-N 2.88Å; D44-T46 WeakPolarHBondContact OD1-CB 3.43Å; D44-T46 PolarHBondContact OD1-N 3.24Å; D44-T46 PolarHBondContact OD1-OG1 2.96Å; T46-T60 HydrophobicContact CG2-CG2 4.35Å; T46-L61 WeakPolarHBondContact CA-O 3.34Å; T46-R62 HydrophobicContact CG2-CG 4.07Å
47A95.3Very high91.7Very high2 Ų224.1 Ų24.12%0.01716%0.156CC..EExtended strand (participates in β ladder)trans-115.2149.7158.400000109.5T40 T60 L61 L71 T82T40-A47 CarbonylContact O-C 3.56Å; T40-A47 WeakPolarHBondContact O-CA 3.15Å; T40-A47 WeakPolarHBondContact O-CB 3.39Å; A47-T60 CarbonylContact O-C 3.59Å; A47-L61 HydrophobicContact CB-CB 4.17Å; A47-L61 HydrophobicContact CB-CD1 4.12Å; A47-L61 PolarHBondContact N-O 2.84Å; A47-L61 WeakPolarHBondContact O-CB 3.44Å; A47-L61 PolarHBondContact O-N 2.86Å; A47-L71 HydrophobicContact CB-CD1 4.25Å; A47-T82 HydrophobicContact CB-CG2 4.17Å
48K94.8Very high91.7Very high26 Ų2627.3 Ų27.311%0.11317%0.17CC..EExtended strand (participates in β ladder)trans-127.1132-179.4-72.9178.4172.7-78.20111G7 V39 T40 W50 Q59 T60G7-K48 VanDerWaalsContact O-CE 3.23Å; G7-K48 WeakPolarHBondContact O-CE 3.25Å; V39-K48 CarbonylContact C-O 3.57Å; V39-K48 WeakPolarHBondContact CA-O 3.49Å; T40-K48 PolarHBondContact N-O 2.98Å; T40-K48 PolarHBondContact O-N 2.64Å; T40-K48 PolarHBondContact OG1-O 3.42Å; K48-W50 HydrophobicContact CB-CZ2 4.03Å; K48-W50 HydrophobicContact CD-CH2 4.15Å; K48-W50 HydrophobicContact CD-CZ2 3.56Å; K48-W50 HydrophobicContact CG-CZ2 4.44Å; K48-Q59 WeakPolarHBondContact CA-O 3.46Å; K48-T60 HydrophobicContact CG-CG2 4.05Å; K48-T60 PolarHBondContact NZ-OG1 2.86Å
49V93.4Very high91.7Very high0 Ų028.7 Ų28.70%018%0.176CC..EExtended strand (participates in β ladder)trans-92.8128.8170-175.10000107.5L37 L38 V39 C57 H58 Q59 L61 I94L37-V49 HydrophobicContact CB-CG1 4.46Å; L37-V49 HydrophobicContact CD2-CG1 4.32Å; L38-V49 CarbonylContact O-C 3.56Å; V39-V49 HydrophobicContact CG1-CG2 4.1Å; V39-V49 HydrophobicContact CG2-CG1 4.37Å; V39-V49 HydrophobicContact CG2-CG2 4.15Å; V49-C57 CarbonylContact O-C 3.53Å; V49-H58 HydrophobicContact CB-CB 4.43Å; V49-H58 HydrophobicContact CG1-CB 4.2Å; V49-H58 PolarHBondContact O-N 2.82Å; V49-Q59 HydrophobicContact CB-CB 4.03Å; V49-Q59 HydrophobicContact CG2-CB 3.99Å; V49-Q59 PolarHBondContact N-O 2.82Å; V49-Q59 PolarHBondContact O-N 3.27Å; V49-L61 HydrophobicContact CG2-CD1 4.32Å; V49-L61 HydrophobicContact CG2-CG 4.46Å; V49-I94 HydrophobicContact CG1-CG2 3.69Å; V49-I94 HydrophobicContact CG2-CG2 4.06Å
50W92.4Very high91.8Very high9 Ų930.7 Ų30.73%0.03419%0.188CC..EExtended strand (participates in β ladder)trans-121.1135.1177.9-50.687.1000110F5 R6 L38 T40 K48 C56 C57F5-W50 HydrophobicContact CB-CD2 4Å; F5-W50 HydrophobicContact CB-CE3 4.07Å; F5-W50 HydrophobicContact CB-CG 4.48Å; F5-W50 HydrophobicContact CB-CZ2 4.42Å; F5-W50 HydrophobicContact CB-CZ3 4.31Å; F5-W50 HydrophobicContact CD1-CB 3.69Å; F5-W50 AromaticContact CD1-CD2 3.83Å; F5-W50 HydrophobicContact CD1-CD2 3.83Å; F5-W50 AromaticContact CD1-CE3 3.76Å; F5-W50 HydrophobicContact CD1-CE3 3.76Å; F5-W50 AromaticContact CD1-CG 3.82Å; F5-W50 HydrophobicContact CD1-CG 3.82Å; F5-W50 HydrophobicContact CE1-CB 3.82Å; F5-W50 HydrophobicContact CE1-CG 4.44Å; F5-W50 HydrophobicContact CG-CD2 4.3Å; F5-W50 HydrophobicContact CG-CE3 4.4Å; F5-W50 HydrophobicContact CG-CG 4.39Å; R6-W50 WeakPolarHBondContact O-CH2 3.35Å; L38-W50 HydrophobicContact CB-CB 4.37Å; L38-W50 PolarHBondContact N-O 2.9Å; L38-W50 PolarHBondContact O-N 2.72Å; T40-W50 PolarHBondContact OG1-NE1 3.03Å; K48-W50 HydrophobicContact CB-CZ2 4.03Å; K48-W50 HydrophobicContact CD-CH2 4.15Å; K48-W50 HydrophobicContact CD-CZ2 3.56Å; K48-W50 HydrophobicContact CG-CZ2 4.44Å; W50-C56 VanDerWaalsContact CA-O 3.31Å; W50-C56 WeakPolarHBondContact CA-O 3.48Å; W50-C57 HydrophobicContact CD2-CB 4.4Å; W50-C57 HydrophobicContact CE3-CB 3.73Å; W50-C57 HydrophobicContact CH2-CB 4.15Å; W50-C57 HydrophobicContact CZ3-CB 3.59Å
51Q89.7Confident91.7Very high32 Ų3230.3 Ų30.315%0.1519%0.186CC..EExtended strand (participates in β ladder)trans-85.3113173-179.3-166.423.100107.7E31 L37 A53 S54 G55 C56E31-Q51 PolarHBondContact O-NE2 2.8Å; L37-Q51 HydrophobicContact CD2-CB 4.49Å; Q51-A53 PolarHBondContact O-N 2.75Å; Q51-S54 WeakPolarHBondContact CB-OG 3.34Å; Q51-S54 VanDerWaalsContact CD-OG 3.25Å; Q51-S54 PolarHBondContact O-N 2.89Å; Q51-S54 PolarHBondContact O-OG 3.44Å; Q51-S54 PolarHBondContact OE1-OG 2.84Å; Q51-G55 WeakPolarHBondContact O-CA 3.49Å; Q51-G55 PolarHBondContact O-N 3.32Å; Q51-C56 PolarHBondContact N-O 2.99Å
52V87.9Confident91.6Very high42 Ų4239 Ų3926%0.25522%0.219SC..THydrogen-bonded Turntrans-71.3-31.5-167174.10000112.5R3 F5 Y17 G35 G36 L38R3-V52 PolarHBondContact NH1-O 2.68Å; F5-V52 HydrophobicContact CZ-CB 4.4Å; F5-V52 HydrophobicContact CZ-CG1 4.31Å; F5-V52 HydrophobicContact CZ-CG2 4.12Å; Y17-V52 HydrophobicContact CD2-CG2 4.35Å; Y17-V52 HydrophobicContact CE2-CG2 4.05Å; G35-V52 WeakPolarHBondContact O-CB 3.42Å; G36-V52 PolarHBondContact O-N 3.44Å; G36-V52 VanDerWaalsContact O-N 3.12Å; L38-V52 HydrophobicContact CB-CG2 3.67Å
53A85.3Confident91.4Very high55 Ų5540.5 Ų40.546%0.45523%0.234SC..THydrogen-bonded Turntrans-64.4-39.5177.100000113.8R3 G35 Q51R3-A53 VanDerWaalsContact NH1-C 3.28Å; R3-A53 PolarHBondContact NH1-O 2.93Å; G35-A53 VanDerWaalsContact CA-CB 3.45Å; Q51-A53 PolarHBondContact O-N 2.75Å
54S83.9Confident91.4Very high45 Ų4538.9 Ų38.932%0.31522%0.223SC..THydrogen-bonded Turntrans-87.5-37.2176.863.30000112.6Q51 C56Q51-S54 WeakPolarHBondContact CB-OG 3.34Å; Q51-S54 VanDerWaalsContact CD-OG 3.25Å; Q51-S54 PolarHBondContact O-N 2.89Å; Q51-S54 PolarHBondContact O-OG 3.44Å; Q51-S54 PolarHBondContact OE1-OG 2.84Å; S54-C56 WeakPolarHBondContact OG-CB 3.28Å; S54-C56 PolarHBondContact OG-N 3.33Å
55G85.3Confident91.4Very high18 Ų1843.2 Ų43.219%0.18625%0.251CS..  trans90.3-3.2-165.700000113.7Q51Q51-G55 WeakPolarHBondContact O-CA 3.49Å; Q51-G55 PolarHBondContact O-N 3.32Å
56C87.6Confident91.4Very high73 Ų7343.6 Ų43.649%0.49326%0.255SS..  trans-78150.1-173.7-64.70000112.8W50 Q51 S54 H58W50-C56 VanDerWaalsContact CA-O 3.31Å; W50-C56 WeakPolarHBondContact CA-O 3.48Å; Q51-C56 PolarHBondContact N-O 2.99Å; S54-C56 WeakPolarHBondContact OG-CB 3.28Å; S54-C56 PolarHBondContact OG-N 3.33Å; C56-H58 PolarHBondContact O-N 2.87Å
57C91.1Very high91.4Very high48 Ų4843.3 Ų43.332%0.32426%0.255SS..EExtended strand (participates in β ladder)trans-75.6107.1167.4-170.30000108V49 W50 Q59V49-C57 CarbonylContact O-C 3.53Å; W50-C57 HydrophobicContact CD2-CB 4.4Å; W50-C57 HydrophobicContact CE3-CB 3.73Å; W50-C57 HydrophobicContact CH2-CB 4.15Å; W50-C57 HydrophobicContact CZ3-CB 3.59Å; C57-Q59 PolarHBondContact SG-O 3.01Å
58H88.8Confident91.5Very high69 Ų6943.2 Ų43.232%0.31926%0.255SS..EExtended strand (participates in β ladder)trans-72-50.6177.5-177.459.1000110.9V49 C56 L95V49-H58 HydrophobicContact CB-CB 4.43Å; V49-H58 HydrophobicContact CG1-CB 4.2Å; V49-H58 PolarHBondContact O-N 2.82Å; C56-H58 PolarHBondContact O-N 2.87Å; H58-L95 PolarHBondContact NE2-O 2.89Å
59Q92.5Very high91.5Very high56 Ų5644.4 Ų44.426%0.26226%0.262SS..EExtended strand (participates in β ladder)trans-138.1153.2-179-69.6-68.1-100112.5K48 V49 C57 L61 L95 S96K48-Q59 WeakPolarHBondContact CA-O 3.46Å; V49-Q59 HydrophobicContact CB-CB 4.03Å; V49-Q59 HydrophobicContact CG2-CB 3.99Å; V49-Q59 PolarHBondContact N-O 2.82Å; V49-Q59 PolarHBondContact O-N 3.27Å; C57-Q59 PolarHBondContact SG-O 3.01Å; Q59-L61 HydrophobicContact CB-CD2 4.47Å; Q59-L95 PolarHBondContact NE2-O 3.03Å; Q59-S96 PolarHBondContact NE2-O 3.46Å
60T94.2Very high91.5Very high41 Ų4144.9 Ų44.925%0.25227%0.265SS..EExtended strand (participates in β ladder)trans-12499.2169.2-570000109.5T46 A47 K48 R62T46-T60 HydrophobicContact CG2-CG2 4.35Å; A47-T60 CarbonylContact O-C 3.59Å; K48-T60 HydrophobicContact CG-CG2 4.05Å; K48-T60 PolarHBondContact NZ-OG1 2.86Å; T60-R62 HydrophobicContact CG2-CG 3.97Å; T60-R62 PolarHBondContact O-N 3.24Å
61L94.2Very high91.6Very high2 Ų245.1 Ų45.11%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-70.1108.7177.9-49.4177.6000108.6T46 A47 V49 Q59 W92 G97T46-L61 WeakPolarHBondContact CA-O 3.34Å; A47-L61 HydrophobicContact CB-CB 4.17Å; A47-L61 HydrophobicContact CB-CD1 4.12Å; A47-L61 PolarHBondContact N-O 2.84Å; A47-L61 WeakPolarHBondContact O-CB 3.44Å; A47-L61 PolarHBondContact O-N 2.86Å; V49-L61 HydrophobicContact CG2-CD1 4.32Å; V49-L61 HydrophobicContact CG2-CG 4.46Å; Q59-L61 HydrophobicContact CB-CD2 4.47Å; L61-W92 HydrophobicContact CB-CD2 3.86Å; L61-W92 HydrophobicContact CB-CE3 3.84Å; L61-W92 HydrophobicContact CB-CG 4.41Å; L61-W92 HydrophobicContact CB-CH2 4.35Å; L61-W92 HydrophobicContact CB-CZ2 4.34Å; L61-W92 HydrophobicContact CB-CZ3 4.08Å; L61-W92 HydrophobicContact CD1-CB 3.96Å; L61-W92 HydrophobicContact CD1-CD2 4.14Å; L61-W92 HydrophobicContact CD1-CG 3.78Å; L61-W92 HydrophobicContact CD2-CB 4.01Å; L61-W92 HydrophobicContact CD2-CD2 4.13Å; L61-W92 HydrophobicContact CD2-CE3 3.92Å; L61-W92 HydrophobicContact CD2-CG 4.19Å; L61-W92 HydrophobicContact CG-CD2 4.25Å; L61-W92 HydrophobicContact CG-CE3 4.34Å; L61-W92 HydrophobicContact CG-CG 4.34Å; L61-G97 WeakPolarHBondContact CD2-O 3.33Å
62R94.3Very high91.8Very high183 Ų18344.7 Ų44.769%0.69127%0.266SS*.EExtended strand (participates in β ladder)trans-116132.3-178.6-60-170.9-170.1-171.76.9110.6T46 T60 W92T46-R62 HydrophobicContact CG2-CG 4.07Å; T60-R62 HydrophobicContact CG2-CG 3.97Å; T60-R62 PolarHBondContact O-N 3.24Å; R62-W92 WeakPolarHBondContact O-CH2 3.18Å
63G91.5Very high91.9Very high32 Ų3243.8 Ų43.833%0.3326%0.26SS..  trans164-24.1170.200000114.8R90G63-R90 VanDerWaalsContact C-CZ 3.41Å; G63-R90 PolarHBondContact O-NH1 3.24Å; G63-R90 PolarHBondContact O-NH2 2.81Å
64H94.2Very high92Very high16 Ų1641.9 Ų41.97%0.07424%0.242CC..  trans-64.1139.5171.9-76.7-68.8000110.7V68 T82 S84 D86 T88 R90H64-V68 HydrophobicContact CB-CG2 4.47Å; H64-T82 PolarHBondContact NE2-O 3.44Å; H64-T82 PolarHBondContact NE2-OG1 3.35Å; H64-S84 VanDerWaalsContact CE1-CB 3.49Å; H64-S84 WeakPolarHBondContact CE1-CB 3.18Å; H64-S84 WeakPolarHBondContact ND1-CB 3.24Å; H64-D86 VanDerWaalsContact CA-OD2 3.25Å; H64-D86 WeakPolarHBondContact CA-OD2 3.46Å; H64-D86 IonicContact CE1-OD1 3.68Å; H64-D86 IonicContact CG-OD2 3.84Å; H64-D86 VanDerWaalsContact ND1-CG 3.29Å; H64-D86 IonicContact ND1-OD1 2.77Å; H64-D86 PolarHBondContact ND1-OD1 2.85Å; H64-D86 IonicContact ND1-OD2 2.89Å; H64-D86 PolarHBondContact ND1-OD2 2.89Å; H64-T88 PolarHBondContact CE1-OG1 2.8Å; H64-T88 VanDerWaalsContact CE1-OG1 3.28Å; H64-T88 PolarHBondContact ND1-OG1 2.93Å; H64-R90 PolarHBondContact ND1-NE 2.91Å
65T94.6Very high91.6Very high129 Ų12941.1 Ų41.179%0.79124%0.236SC*.SBendtrans-956.5177.1580000113.1D86T65-D86 PolarHBondContact N-OD2 2.9Å; T65-D86 VanDerWaalsContact OG1-CB 3.25Å; T65-D86 WeakPolarHBondContact OG1-CB 3.49Å
66G93.8Very high91Very high15 Ų1543.5 Ų43.516%0.15525%0.248CC..SBendtrans-153.1171.8179.600000112.2G45 V68 S84 T85G45-G66 WeakPolarHBondContact CA-O 3.14Å; G66-V68 PolarHBondContact O-N 3.48Å; G66-S84 PolarHBondContact O-OG 3.28Å; G66-T85 WeakPolarHBondContact CA-OG1 3.31Å
67A95.1Very high90.4Very high17 Ų1741.8 Ų41.814%0.1424%0.242CC..  trans-54.9132.5-17300000112.8L13 T43 L69 S84 T85L13-A67 HydrophobicContact CD1-CB 4.17Å; T43-A67 HydrophobicContact CG2-CB 4.04Å; A67-L69 HydrophobicContact CB-CD2 4.18Å; A67-L69 PolarHBondContact O-N 3.02Å; A67-S84 CarbonylContact O-C 3.54Å; A67-S84 WeakPolarHBondContact O-CA 3.47Å; A67-S84 WeakPolarHBondContact O-CB 3.36Å; A67-S84 PolarHBondContact O-OG 3.2Å; A67-S84 VanDerWaalsContact O-OG 3.12Å; A67-T85 HydrophobicContact CB-CG2 4.21Å; A67-T85 PolarHBondContact N-OG1 3.05Å; A67-T85 VanDerWaalsContact N-OG1 3.09Å; A67-T85 PolarHBondContact O-N 2.93Å
68V96.6Very high90.1Very high0 Ų041.1 Ų41.10%024%0.235CC..EExtended strand (participates in β ladder)trans-78.8107174.2-177.40000108.3T14 S42 H64 G66 T82 G83T14-V68 HydrophobicContact CG2-CG1 4.16Å; S42-V68 PolarHBondContact O-N 3.48Å; H64-V68 HydrophobicContact CB-CG2 4.47Å; G66-V68 PolarHBondContact O-N 3.48Å; V68-T82 HydrophobicContact CG1-CG2 4.28Å; V68-G83 CarbonylContact C-O 3.55Å
69L94.7Very high90.2Very high50 Ų5038.9 Ų38.926%0.26223%0.226SC..EExtended strand (participates in β ladder)trans-87.5-33.8-173.3-59.9-171.9000112.9L13 A67 G83 T85 I111L13-L69 HydrophobicContact CD1-CD2 3.62Å; A67-L69 HydrophobicContact CB-CD2 4.18Å; A67-L69 PolarHBondContact O-N 3.02Å; L69-G83 PolarHBondContact N-O 2.88Å; L69-T85 HydrophobicContact CD1-CG2 3.82Å; L69-T85 HydrophobicContact CD2-CG2 3.89Å; L69-T85 HydrophobicContact CG-CG2 3.92Å; L69-I111 HydrophobicContact CD1-CG2 4.08Å
70C93.8Very high90.2Very high10 Ų1036.2 Ų36.27%0.06821%0.214CC..EExtended strand (participates in β ladder)trans-146.3147.5-173.757.10000111.8G83C70-G83 PolarHBondContact N-O 3.17Å; C70-G83 PolarHBondContact O-N 3.27Å
71L94.9Very high90.2Very high14 Ų1435.1 Ų35.17%0.07321%0.205CC..EExtended strand (participates in β ladder)trans-144.3138-174.6-166.6150000110.2T14 A16 V39 A47 L73 F81 T82T14-L71 HydrophobicContact CG2-CB 3.76Å; T14-L71 PolarHBondContact OG1-N 2.81Å; A16-L71 HydrophobicContact CB-CD2 3.6Å; V39-L71 HydrophobicContact CB-CD1 4.22Å; V39-L71 HydrophobicContact CB-CD2 3.97Å; V39-L71 HydrophobicContact CG1-CD1 3.62Å; V39-L71 HydrophobicContact CG1-CD2 4.15Å; A47-L71 HydrophobicContact CB-CD1 4.25Å; L71-L73 HydrophobicContact CD2-CD2 3.69Å; L71-L73 HydrophobicContact CD2-CG 4.28Å; L71-F81 WeakPolarHBondContact CA-O 3.43Å; L71-T82 HydrophobicContact CD1-CG2 3.73Å; L71-T82 HydrophobicContact CG-CG2 3.99Å
72V93.4Very high90.3Very high23 Ų2335 Ų3514%0.13921%0.205CC..EExtended strand (participates in β ladder)trans-136.1146.3176.6171.70000109F81 L113 C115V72-F81 PolarHBondContact N-O 3.41Å; V72-F81 PolarHBondContact O-N 2.78Å; V72-L113 HydrophobicContact CB-CB 4.39Å; V72-L113 HydrophobicContact CG2-CB 3.65Å; V72-L113 WeakPolarHBondContact CG2-O 3.45Å; V72-C115 HydrophobicContact CG1-CB 3.44Å; V72-C115 VanDerWaalsContact CG1-CB 3.44Å
73L90.4Very high90.3Very high24 Ų2426.3 Ų26.313%0.12617%0.172CC..EExtended strand (participates in β ladder)trans-110.9134.2174.5-51178.7000109.1A16 V39 L71 T75 A80 I94A16-L73 HydrophobicContact CB-CD1 3.92Å; A16-L73 HydrophobicContact CB-CD2 4.47Å; A16-L73 HydrophobicContact CB-CG 3.81Å; V39-L73 HydrophobicContact CB-CD2 4.1Å; V39-L73 HydrophobicContact CG2-CD1 4.29Å; V39-L73 HydrophobicContact CG2-CD2 3.7Å; L71-L73 HydrophobicContact CD2-CD2 3.69Å; L71-L73 HydrophobicContact CD2-CG 4.28Å; L73-T75 HydrophobicContact CB-CG2 4.09Å; L73-A80 HydrophobicContact CD2-CB 3.8Å; L73-I94 HydrophobicContact CD2-CD1 3.9Å
74D87.4Confident90.5Very high14 Ų1424.8 Ų24.88%0.07516%0.156CC..EExtended strand (participates in β ladder)trans-97.2101.7152.8-176.456.6000107.3G77 H78 T79 F81 R117 F255D74-G77 PolarHBondContact O-N 3.19Å; D74-G77 WeakPolarHBondContact OD2-CA 3.2Å; D74-G77 PolarHBondContact OD2-N 3.44Å; D74-H78 PolarHBondContact O-N 2.57Å; D74-H78 VanDerWaalsContact O-N 3.14Å; D74-T79 PolarHBondContact N-O 2.98Å; D74-T79 PolarHBondContact O-N 3.35Å; D74-T79 VanDerWaalsContact O-N 3.14Å; D74-F81 HydrophobicContact CB-CE2 4.28Å; D74-R117 IonicContact OD1-NH1 3.79Å; D74-R117 PolarHBondContact OD1-NH1 3.24Å; D74-F255 HydrophobicContact CB-CD2 4.33Å; D74-F255 HydrophobicContact CB-CE2 3.99Å
75T75.6Confident90.6Very high29 Ų2927 Ų2718%0.17817%0.171CC..THydrogen-bonded Turntrans-66.4-43.6-168.660.80000114.3S18 D22 L73 G77 H78S18-T75 WeakPolarHBondContact OG-CG2 3.06Å; D22-T75 HydrophobicContact CB-CG2 4.28Å; D22-T75 PolarHBondContact OD1-OG1 3.02Å; L73-T75 HydrophobicContact CB-CG2 4.09Å; T75-G77 VanDerWaalsContact C-N 3.32Å; T75-G77 PolarHBondContact O-N 3.48Å; T75-H78 PolarHBondContact O-CE1 3.09Å; T75-H78 PolarHBondContact O-N 3.34Å; T75-H78 PolarHBondContact O-ND1 3.35Å
76P72.8Confident90.6Very high68 Ų6822.1 Ų22.144%0.44214%0.14SC..THydrogen-bonded Turntrans-75.1-19.7177.531.7-37000113.6R117P76-R117 VanDerWaalsContact CG-NH1 3.3Å
77G75.3Confident90.5Very high37 Ų3722.3 Ų22.338%0.38114%0.14SC..THydrogen-bonded Turntrans-90.74.4172.500000113.9D74 T75 T79D74-G77 PolarHBondContact O-N 3.19Å; D74-G77 WeakPolarHBondContact OD2-CA 3.2Å; D74-G77 PolarHBondContact OD2-N 3.44Å; T75-G77 VanDerWaalsContact C-N 3.32Å; T75-G77 PolarHBondContact O-N 3.48Å; G77-T79 PolarHBondContact O-N 3.03Å; G77-T79 PolarHBondContact O-OG1 3.12Å
78H84Confident90.5Very high35 Ų3522 Ų2216%0.16214%0.136CC..THydrogen-bonded Turntrans47.826.1-176.3-55.8-25.4000114.7L23 P24 D74 T75 I94 L95L23-H78 VanDerWaalsContact CD2-CE1 3.45Å; L23-H78 WeakPolarHBondContact CD2-CE1 3.37Å; L23-H78 WeakPolarHBondContact CD2-ND1 3.34Å; P24-H78 WeakPolarHBondContact CD-CE1 3.42Å; P24-H78 WeakPolarHBondContact CD-NE2 3.45Å; D74-H78 PolarHBondContact O-N 2.57Å; D74-H78 VanDerWaalsContact O-N 3.14Å; T75-H78 PolarHBondContact O-CE1 3.09Å; T75-H78 PolarHBondContact O-N 3.34Å; T75-H78 PolarHBondContact O-ND1 3.35Å; H78-I94 WeakPolarHBondContact O-CB 3.29Å; H78-I94 WeakPolarHBondContact O-CD1 3.38Å; H78-I94 WeakPolarHBondContact O-CG1 3.2Å; H78-I94 PolarHBondContact O-N 3.14Å; H78-L95 HydrophobicContact CB-CD1 4.42Å; H78-L95 HydrophobicContact CB-CG 4.39Å
79T90.1Very high90.4Very high22 Ų2222.2 Ų22.214%0.13514%0.137CC..EExtended strand (participates in β ladder)trans-108.3120.7-169.1-62.70000110.4D74 G77 F81 A91 W92 L100D74-T79 PolarHBondContact N-O 2.98Å; D74-T79 PolarHBondContact O-N 3.35Å; D74-T79 VanDerWaalsContact O-N 3.14Å; G77-T79 PolarHBondContact O-N 3.03Å; G77-T79 PolarHBondContact O-OG1 3.12Å; T79-F81 HydrophobicContact CG2-CD2 4.07Å; T79-F81 HydrophobicContact CG2-CE1 4.05Å; T79-F81 HydrophobicContact CG2-CE2 3.5Å; T79-F81 HydrophobicContact CG2-CZ 3.5Å; T79-F81 VanDerWaalsContact CG2-CZ 3.5Å; T79-A91 HydrophobicContact CG2-CB 4.02Å; T79-W92 CarbonylContact C-O 3.6Å; T79-W92 VanDerWaalsContact CA-O 3.29Å; T79-W92 WeakPolarHBondContact CA-O 3.32Å; T79-L100 HydrophobicContact CG2-CD1 4.26Å
80A92.8Very high90.5Very high0 Ų020.7 Ų20.70%013%0.128CC..EExtended strand (participates in β ladder)trans-90.8132.2167.700000110.1L73 A91 W92 I94L73-A80 HydrophobicContact CD2-CB 3.8Å; A80-A91 CarbonylContact O-C 3.58Å; A80-A91 WeakPolarHBondContact O-CA 3.47Å; A80-W92 PolarHBondContact N-O 3.14Å; A80-W92 PolarHBondContact O-N 2.88Å; A80-I94 HydrophobicContact CB-CD1 4.18Å; A80-I94 HydrophobicContact CB-CG1 3.75Å
81F94.6Very high90.5Very high17 Ų1720.4 Ų20.48%0.07513%0.126CC..EExtended strand (participates in β ladder)trans-108121.2171.9-64-86.6000109.7L71 V72 D74 T79 R90 A91 F103 L113 F255 L257L71-F81 WeakPolarHBondContact CA-O 3.43Å; V72-F81 PolarHBondContact N-O 3.41Å; V72-F81 PolarHBondContact O-N 2.78Å; D74-F81 HydrophobicContact CB-CE2 4.28Å; T79-F81 HydrophobicContact CG2-CD2 4.07Å; T79-F81 HydrophobicContact CG2-CE1 4.05Å; T79-F81 HydrophobicContact CG2-CE2 3.5Å; T79-F81 HydrophobicContact CG2-CZ 3.5Å; T79-F81 VanDerWaalsContact CG2-CZ 3.5Å; F81-R90 CarbonylContact C-O 3.54Å; F81-R90 WeakPolarHBondContact CA-O 3.4Å; F81-A91 HydrophobicContact CD1-CB 3.89Å; F81-A91 HydrophobicContact CE1-CB 3.69Å; F81-F103 HydrophobicContact CE1-CE2 4.48Å; F81-L113 HydrophobicContact CB-CD1 4.16Å; F81-F255 HydrophobicContact CD2-CZ 4.09Å; F81-F255 HydrophobicContact CE1-CE1 4.47Å; F81-F255 HydrophobicContact CE1-CZ 4.29Å; F81-F255 HydrophobicContact CE2-CE1 4.15Å; F81-F255 AromaticContact CE2-CE2 3.9Å; F81-F255 HydrophobicContact CE2-CE2 3.9Å; F81-F255 AromaticContact CE2-CZ 3.34Å; F81-F255 HydrophobicContact CE2-CZ 3.34Å; F81-F255 AromaticContact CZ-CE1 3.79Å; F81-F255 HydrophobicContact CZ-CE1 3.79Å; F81-F255 HydrophobicContact CZ-CE2 4.35Å; F81-F255 AromaticContact CZ-CZ 3.46Å; F81-F255 HydrophobicContact CZ-CZ 3.46Å; F81-F255 VanDerWaalsContact CZ-CZ 3.46Å; F81-L257 HydrophobicContact CB-CD1 4.34Å; F81-L257 HydrophobicContact CB-CD2 4.35Å; F81-L257 HydrophobicContact CD1-CD2 3.62Å; F81-L257 HydrophobicContact CE1-CD2 4.08Å; F81-L257 HydrophobicContact CG-CD1 4.25Å; F81-L257 HydrophobicContact CG-CD2 4.04Å
82T95.9Very high90.5Very high0 Ų020 Ų200%012%0.124CC..EExtended strand (participates in β ladder)trans-116.4132.6-179.857.90000111.1A47 H64 V68 L71 I89 R90 W92A47-T82 HydrophobicContact CB-CG2 4.17Å; H64-T82 PolarHBondContact NE2-O 3.44Å; H64-T82 PolarHBondContact NE2-OG1 3.35Å; V68-T82 HydrophobicContact CG1-CG2 4.28Å; L71-T82 HydrophobicContact CD1-CG2 3.73Å; L71-T82 HydrophobicContact CG-CG2 3.99Å; T82-I89 CarbonylContact O-C 3.56Å; T82-I89 VanDerWaalsContact O-CA 3.27Å; T82-I89 WeakPolarHBondContact O-CA 3.49Å; T82-R90 PolarHBondContact N-O 3.37Å; T82-R90 PolarHBondContact O-N 3.3Å; T82-W92 PolarHBondContact OG1-NE1 2.89Å
83G95.4Very high90.4Very high0 Ų020.5 Ų20.50%013%0.126CC..EExtended strand (participates in β ladder)trans-113.2139.817400000111.1V68 L69 C70V68-G83 CarbonylContact C-O 3.55Å; L69-G83 PolarHBondContact N-O 2.88Å; C70-G83 PolarHBondContact N-O 3.17Å; C70-G83 PolarHBondContact O-N 3.27Å
84S95.9Very high90.3Very high0 Ų019.6 Ų19.60%012%0.121CC..EExtended strand (participates in β ladder)trans-134.1165.5-170.1169.50000113.3H64 G66 A67 D86 A87 T88 V110H64-S84 VanDerWaalsContact CE1-CB 3.49Å; H64-S84 WeakPolarHBondContact CE1-CB 3.18Å; H64-S84 WeakPolarHBondContact ND1-CB 3.24Å; G66-S84 PolarHBondContact O-OG 3.28Å; A67-S84 CarbonylContact O-C 3.54Å; A67-S84 WeakPolarHBondContact O-CA 3.47Å; A67-S84 WeakPolarHBondContact O-CB 3.36Å; A67-S84 PolarHBondContact O-OG 3.2Å; A67-S84 VanDerWaalsContact O-OG 3.12Å; S84-D86 VanDerWaalsContact CB-OD1 3.31Å; S84-D86 WeakPolarHBondContact CB-OD1 3.45Å; S84-D86 PolarHBondContact O-N 2.87Å; S84-D86 PolarHBondContact OG-N 3.37Å; S84-D86 PolarHBondContact OG-OD1 3.03Å; S84-A87 PolarHBondContact O-N 2.63Å; S84-T88 PolarHBondContact N-O 3.12Å; S84-V110 PolarHBondContact O-N 3Å
85T95.8Very high90.2Very high62 Ų6221.6 Ų21.638%0.3813%0.131SC..THydrogen-bonded Turntrans-64-15.4164.663.50000113.2G66 A67 L69 A87G66-T85 WeakPolarHBondContact CA-OG1 3.31Å; A67-T85 HydrophobicContact CB-CG2 4.21Å; A67-T85 PolarHBondContact N-OG1 3.05Å; A67-T85 VanDerWaalsContact N-OG1 3.09Å; A67-T85 PolarHBondContact O-N 2.93Å; L69-T85 HydrophobicContact CD1-CG2 3.82Å; L69-T85 HydrophobicContact CD2-CG2 3.89Å; L69-T85 HydrophobicContact CG-CG2 3.92Å; T85-A87 PolarHBondContact O-N 2.89Å; T85-A87 VanDerWaalsContact O-N 3.1Å
86D94Very high90.7Very high28 Ų2822.9 Ų22.915%0.1514%0.141CC..THydrogen-bonded Turntrans-70.74.7173.180.9-7.1000114.3H64 T65 S84 T88 R90H64-D86 VanDerWaalsContact CA-OD2 3.25Å; H64-D86 WeakPolarHBondContact CA-OD2 3.46Å; H64-D86 IonicContact CE1-OD1 3.68Å; H64-D86 IonicContact CG-OD2 3.84Å; H64-D86 VanDerWaalsContact ND1-CG 3.29Å; H64-D86 IonicContact ND1-OD1 2.77Å; H64-D86 PolarHBondContact ND1-OD1 2.85Å; H64-D86 IonicContact ND1-OD2 2.89Å; H64-D86 PolarHBondContact ND1-OD2 2.89Å; T65-D86 PolarHBondContact N-OD2 2.9Å; T65-D86 VanDerWaalsContact OG1-CB 3.25Å; T65-D86 WeakPolarHBondContact OG1-CB 3.49Å; S84-D86 VanDerWaalsContact CB-OD1 3.31Å; S84-D86 WeakPolarHBondContact CB-OD1 3.45Å; S84-D86 PolarHBondContact O-N 2.87Å; S84-D86 PolarHBondContact OG-N 3.37Å; S84-D86 PolarHBondContact OG-OD1 3.03Å; D86-T88 VanDerWaalsContact CG-OG1 3.22Å; D86-T88 PolarHBondContact O-N 2.77Å; D86-T88 WeakPolarHBondContact OD1-CA 3.2Å; D86-T88 WeakPolarHBondContact OD1-CB 3.21Å; D86-T88 PolarHBondContact OD1-N 3.47Å; D86-T88 PolarHBondContact OD1-OG1 2.87Å; D86-T88 PolarHBondContact OD2-OG1 2.95Å; D86-T88 VanDerWaalsContact OD2-OG1 3.12Å; D86-R90 IonicContact OD2-CZ 3.7Å; D86-R90 IonicContact OD2-NE 2.85Å; D86-R90 IonicContact OD2-NH2 3.05Å; D86-R90 PolarHBondContact OD2-NH2 2.89Å
87A92.5Very high91.4Very high18 Ų1820.3 Ų20.315%0.14913%0.128CC..SBendtrans59.324.8-178.100000114S84 T85 H106 G108S84-A87 PolarHBondContact O-N 2.63Å; T85-A87 PolarHBondContact O-N 2.89Å; T85-A87 VanDerWaalsContact O-N 3.1Å; A87-H106 VanDerWaalsContact CB-O 3.31Å; A87-H106 WeakPolarHBondContact CB-O 3.34Å; A87-H106 WeakPolarHBondContact O-CB 3.25Å; A87-G108 VanDerWaalsContact CB-C 3.45Å; A87-G108 WeakPolarHBondContact CB-O 3.47Å
88T94.3Very high92.2Very high10 Ų1024.9 Ų24.96%0.06114%0.139CC..  trans-113.8151.6169.6740000111.8H64 S84 D86 R90 V102 F103 R104H64-T88 PolarHBondContact CE1-OG1 2.8Å; H64-T88 VanDerWaalsContact CE1-OG1 3.28Å; H64-T88 PolarHBondContact ND1-OG1 2.93Å; S84-T88 PolarHBondContact N-O 3.12Å; D86-T88 VanDerWaalsContact CG-OG1 3.22Å; D86-T88 PolarHBondContact O-N 2.77Å; D86-T88 WeakPolarHBondContact OD1-CA 3.2Å; D86-T88 WeakPolarHBondContact OD1-CB 3.21Å; D86-T88 PolarHBondContact OD1-N 3.47Å; D86-T88 PolarHBondContact OD1-OG1 2.87Å; D86-T88 PolarHBondContact OD2-OG1 2.95Å; D86-T88 VanDerWaalsContact OD2-OG1 3.12Å; T88-R90 PolarHBondContact OG1-NE 2.92Å; T88-V102 HydrophobicContact CG2-CG1 4.07Å; T88-F103 WeakPolarHBondContact CA-O 3.35Å; T88-R104 HydrophobicContact CG2-CG 3.99Å
89I95.7Very high92.7Very high5 Ų527.1 Ų27.13%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-103141157.5-54.9168.2000106.7T82 V102 F103 H106 V110 L113 L257 A259T82-I89 CarbonylContact O-C 3.56Å; T82-I89 VanDerWaalsContact O-CA 3.27Å; T82-I89 WeakPolarHBondContact O-CA 3.49Å; I89-V102 CarbonylContact O-C 3.6Å; I89-V102 WeakPolarHBondContact O-CA 3.38Å; I89-F103 HydrophobicContact CB-CB 4.17Å; I89-F103 HydrophobicContact CB-CD2 3.92Å; I89-F103 HydrophobicContact CB-CG 4.45Å; I89-F103 HydrophobicContact CG2-CD2 4.03Å; I89-F103 PolarHBondContact N-O 3.26Å; I89-F103 VanDerWaalsContact N-O 3.11Å; I89-F103 PolarHBondContact O-N 2.84Å; I89-H106 VanDerWaalsContact CD1-NE2 3.27Å; I89-H106 WeakPolarHBondContact CD1-NE2 3.48Å; I89-V110 HydrophobicContact CD1-CG1 4.43Å; I89-V110 HydrophobicContact CG1-CG1 4.09Å; I89-V110 HydrophobicContact CG1-CG2 3.95Å; I89-L113 HydrophobicContact CD1-CD2 3.64Å; I89-L113 HydrophobicContact CG1-CD2 4.07Å; I89-L113 HydrophobicContact CG2-CD1 4.13Å; I89-L113 HydrophobicContact CG2-CD2 4.34Å; I89-L257 HydrophobicContact CG2-CD2 4.18Å; I89-A259 HydrophobicContact CD1-CB 3.59Å
90R94.9Very high92.8Very high18 Ų1830.4 Ų30.47%0.06817%0.166CC..EExtended strand (participates in β ladder)trans-126.4136.1175.3-61.8-177.2-170.1-148.919.7110.6G63 H64 F81 T82 D86 T88 W92 R101 V102G63-R90 VanDerWaalsContact C-CZ 3.41Å; G63-R90 PolarHBondContact O-NH1 3.24Å; G63-R90 PolarHBondContact O-NH2 2.81Å; H64-R90 PolarHBondContact ND1-NE 2.91Å; F81-R90 CarbonylContact C-O 3.54Å; F81-R90 WeakPolarHBondContact CA-O 3.4Å; T82-R90 PolarHBondContact N-O 3.37Å; T82-R90 PolarHBondContact O-N 3.3Å; D86-R90 IonicContact OD2-CZ 3.7Å; D86-R90 IonicContact OD2-NE 2.85Å; D86-R90 IonicContact OD2-NH2 3.05Å; D86-R90 PolarHBondContact OD2-NH2 2.89Å; T88-R90 PolarHBondContact OG1-NE 2.92Å; R90-W92 HydrophobicContact CB-CZ2 3.79Å; R90-W92 HydrophobicContact CG-CZ2 4.35Å; R90-R101 WeakPolarHBondContact CA-O 3.35Å; R90-V102 HydrophobicContact CG-CB 4.37Å; R90-V102 HydrophobicContact CG-CG1 3.99Å; R90-V102 HydrophobicContact CG-CG2 4.05Å
91A94.9Very high92.9Very high4 Ų438.6 Ų38.63%0.03320%0.197CC..EExtended strand (participates in β ladder)trans-100.5133.817100000108.3T79 A80 F81 Q99 L100 R101 F103T79-A91 HydrophobicContact CG2-CB 4.02Å; A80-A91 CarbonylContact O-C 3.58Å; A80-A91 WeakPolarHBondContact O-CA 3.47Å; F81-A91 HydrophobicContact CD1-CB 3.89Å; F81-A91 HydrophobicContact CE1-CB 3.69Å; A91-Q99 CarbonylContact O-C 3.6Å; A91-L100 HydrophobicContact CB-CB 4.32Å; A91-L100 PolarHBondContact O-N 2.9Å; A91-R101 HydrophobicContact CB-CB 4.22Å; A91-R101 PolarHBondContact N-O 3.08Å; A91-R101 PolarHBondContact O-N 2.87Å; A91-F103 HydrophobicContact CB-CE2 4.28Å
92W94.8Very high92.9Very high7 Ų739.4 Ų39.43%0.02720%0.203CC..EExtended strand (participates in β ladder)trans-131.8142.2-178.8-45.882.8000109.9L61 R62 T79 A80 T82 R90 E98 Q99L61-W92 HydrophobicContact CB-CD2 3.86Å; L61-W92 HydrophobicContact CB-CE3 3.84Å; L61-W92 HydrophobicContact CB-CG 4.41Å; L61-W92 HydrophobicContact CB-CH2 4.35Å; L61-W92 HydrophobicContact CB-CZ2 4.34Å; L61-W92 HydrophobicContact CB-CZ3 4.08Å; L61-W92 HydrophobicContact CD1-CB 3.96Å; L61-W92 HydrophobicContact CD1-CD2 4.14Å; L61-W92 HydrophobicContact CD1-CG 3.78Å; L61-W92 HydrophobicContact CD2-CB 4.01Å; L61-W92 HydrophobicContact CD2-CD2 4.13Å; L61-W92 HydrophobicContact CD2-CE3 3.92Å; L61-W92 HydrophobicContact CD2-CG 4.19Å; L61-W92 HydrophobicContact CG-CD2 4.25Å; L61-W92 HydrophobicContact CG-CE3 4.34Å; L61-W92 HydrophobicContact CG-CG 4.34Å; R62-W92 WeakPolarHBondContact O-CH2 3.18Å; T79-W92 CarbonylContact C-O 3.6Å; T79-W92 VanDerWaalsContact CA-O 3.29Å; T79-W92 WeakPolarHBondContact CA-O 3.32Å; A80-W92 PolarHBondContact N-O 3.14Å; A80-W92 PolarHBondContact O-N 2.88Å; T82-W92 PolarHBondContact OG1-NE1 2.89Å; R90-W92 HydrophobicContact CB-CZ2 3.79Å; R90-W92 HydrophobicContact CG-CZ2 4.35Å; W92-E98 CarbonylContact C-O 3.53Å; W92-E98 WeakPolarHBondContact CA-O 3.27Å; W92-Q99 HydrophobicContact CD2-CB 4.4Å; W92-Q99 HydrophobicContact CD2-CG 4.31Å; W92-Q99 HydrophobicContact CE3-CB 3.62Å; W92-Q99 HydrophobicContact CE3-CG 3.93Å; W92-Q99 HydrophobicContact CH2-CB 4.19Å; W92-Q99 HydrophobicContact CH2-CG 3.91Å; W92-Q99 HydrophobicContact CZ2-CG 4.32Å; W92-Q99 HydrophobicContact CZ3-CB 3.5Å; W92-Q99 HydrophobicContact CZ3-CG 3.73Å
93D91.1Very high92.7Very high32 Ų3242.7 Ų42.717%0.17122%0.217CC..EExtended strand (participates in β ladder)trans-74.7128.3160.8168.729000108.7L95 S96 G97 E98 L100D93-L95 VanDerWaalsContact C-N 3.3Å; D93-L95 PolarHBondContact OD1-N 3.41Å; D93-S96 WeakPolarHBondContact CB-OG 3.33Å; D93-S96 WeakPolarHBondContact OD2-CB 3.02Å; D93-S96 PolarHBondContact OD2-N 3.43Å; D93-S96 PolarHBondContact OD2-OG 2.89Å; D93-G97 WeakPolarHBondContact O-CA 3.36Å; D93-G97 PolarHBondContact O-N 2.93Å; D93-E98 PolarHBondContact N-O 3.46Å; D93-L100 HydrophobicContact CB-CD1 4.23Å; D93-L100 HydrophobicContact CB-CD2 4.23Å; D93-L100 HydrophobicContact CB-CG 4.32Å
94I88.4Confident92.6Very high6 Ų650.9 Ų50.93%0.03125%0.248CC..THydrogen-bonded Turntrans-70.8-28.7-179.4-62.6164.7000111.1L37 V49 L73 H78 A80L37-I94 HydrophobicContact CD1-CG2 3.68Å; V49-I94 HydrophobicContact CG1-CG2 3.69Å; V49-I94 HydrophobicContact CG2-CG2 4.06Å; L73-I94 HydrophobicContact CD2-CD1 3.9Å; H78-I94 WeakPolarHBondContact O-CB 3.29Å; H78-I94 WeakPolarHBondContact O-CD1 3.38Å; H78-I94 WeakPolarHBondContact O-CG1 3.2Å; H78-I94 PolarHBondContact O-N 3.14Å; A80-I94 HydrophobicContact CB-CD1 4.18Å; A80-I94 HydrophobicContact CB-CG1 3.75Å
95L85.6Confident92.1Very high56 Ų5659.5 Ų59.529%0.29329%0.288SS..THydrogen-bonded Turntrans-81.6-57.7-174.6-58.2-179.3000111.8L37 H58 Q59 H78 D93L37-L95 HydrophobicContact CD1-CD2 4.36Å; H58-L95 PolarHBondContact NE2-O 2.89Å; Q59-L95 PolarHBondContact NE2-O 3.03Å; H78-L95 HydrophobicContact CB-CD1 4.42Å; H78-L95 HydrophobicContact CB-CG 4.39Å; D93-L95 VanDerWaalsContact C-N 3.3Å; D93-L95 PolarHBondContact OD1-N 3.41Å
96S86.8Confident91.5Very high55 Ų5558.7 Ų58.739%0.38528%0.28SS..THydrogen-bonded Turntrans-76.2-23.1176.565.20000114.1Q59 D93 E98Q59-S96 PolarHBondContact NE2-O 3.46Å; D93-S96 WeakPolarHBondContact CB-OG 3.33Å; D93-S96 WeakPolarHBondContact OD2-CB 3.02Å; D93-S96 PolarHBondContact OD2-N 3.43Å; D93-S96 PolarHBondContact OD2-OG 2.89Å; S96-E98 WeakPolarHBondContact OG-CB 3.31Å; S96-E98 PolarHBondContact OG-N 3.23Å
97G87.5Confident91Very high15 Ų1569 Ų6916%0.15532%0.317CS..  trans77.53.6-171.200000114.5L61 D93L61-G97 WeakPolarHBondContact CD2-O 3.33Å; D93-G97 WeakPolarHBondContact O-CA 3.36Å; D93-G97 PolarHBondContact O-N 2.93Å
98E91.1Very high90.8Very high133 Ų13369.3 Ų69.362%0.62132%0.321SS*.  trans-72.4147.6-176.5-70-164.616400113.6W92 D93 S96 L100W92-E98 CarbonylContact C-O 3.53Å; W92-E98 WeakPolarHBondContact CA-O 3.27Å; D93-E98 PolarHBondContact N-O 3.46Å; S96-E98 WeakPolarHBondContact OG-CB 3.31Å; S96-E98 PolarHBondContact OG-N 3.23Å; E98-L100 PolarHBondContact O-N 2.78Å
99Q94.6Very high90.7Very high82 Ų8271.3 Ų71.338%0.38334%0.336SS..  trans-88.588.5-179.7-169.8-157.6-117.900111.2A91 W92 R101 V102A91-Q99 CarbonylContact O-C 3.6Å; W92-Q99 HydrophobicContact CD2-CB 4.4Å; W92-Q99 HydrophobicContact CD2-CG 4.31Å; W92-Q99 HydrophobicContact CE3-CB 3.62Å; W92-Q99 HydrophobicContact CE3-CG 3.93Å; W92-Q99 HydrophobicContact CH2-CB 4.19Å; W92-Q99 HydrophobicContact CH2-CG 3.91Å; W92-Q99 HydrophobicContact CZ2-CG 4.32Å; W92-Q99 HydrophobicContact CZ3-CB 3.5Å; W92-Q99 HydrophobicContact CZ3-CG 3.73Å; Q99-R101 PolarHBondContact O-N 3.04Å; Q99-V102 HydrophobicContact CG-CG2 4.17Å
100L92.8Very high90.5Very high90 Ų9071.2 Ų71.247%0.47134%0.336SS..  trans-57-47.5-177.6-56.3176.6000113.9T79 A91 D93 E98T79-L100 HydrophobicContact CG2-CD1 4.26Å; A91-L100 HydrophobicContact CB-CB 4.32Å; A91-L100 PolarHBondContact O-N 2.9Å; D93-L100 HydrophobicContact CB-CD1 4.23Å; D93-L100 HydrophobicContact CB-CD2 4.23Å; D93-L100 HydrophobicContact CB-CG 4.32Å; E98-L100 PolarHBondContact O-N 2.78Å
101R93.4Very high90.3Very high173 Ų17374.1 Ų74.165%0.65335%0.352SS*.EExtended strand (participates in β ladder)trans-150.5155.3-177.6-63.7-170.7-177.8-179.92.9113R90 A91 Q99 F103R90-R101 WeakPolarHBondContact CA-O 3.35Å; A91-R101 HydrophobicContact CB-CB 4.22Å; A91-R101 PolarHBondContact N-O 3.08Å; A91-R101 PolarHBondContact O-N 2.87Å; Q99-R101 PolarHBondContact O-N 3.04Å; R101-F103 HydrophobicContact CB-CE2 4.16Å; R101-F103 HydrophobicContact CB-CZ 4.17Å
102V94.8Very high90Very high33 Ų3376.4 Ų76.420%0.237%0.367CS..EExtended strand (participates in β ladder)trans-129.4115.9171.2-173.40000109.8T88 I89 R90 Q99 R104T88-V102 HydrophobicContact CG2-CG1 4.07Å; I89-V102 CarbonylContact O-C 3.6Å; I89-V102 WeakPolarHBondContact O-CA 3.38Å; R90-V102 HydrophobicContact CG-CB 4.37Å; R90-V102 HydrophobicContact CG-CG1 3.99Å; R90-V102 HydrophobicContact CG-CG2 4.05Å; Q99-V102 HydrophobicContact CG-CG2 4.17Å; V102-R104 HydrophobicContact CG1-CG 3.93Å
103F93Very high89.7Confident70 Ų7077 Ų7731%0.30737%0.37SS..EExtended strand (participates in β ladder)trans-92.7117.8176.5-50-91.7000109F81 T88 I89 A91 R101F81-F103 HydrophobicContact CE1-CE2 4.48Å; T88-F103 WeakPolarHBondContact CA-O 3.35Å; I89-F103 HydrophobicContact CB-CB 4.17Å; I89-F103 HydrophobicContact CB-CD2 3.92Å; I89-F103 HydrophobicContact CB-CG 4.45Å; I89-F103 HydrophobicContact CG2-CD2 4.03Å; I89-F103 PolarHBondContact N-O 3.26Å; I89-F103 VanDerWaalsContact N-O 3.11Å; I89-F103 PolarHBondContact O-N 2.84Å; A91-F103 HydrophobicContact CB-CE2 4.28Å; R101-F103 HydrophobicContact CB-CE2 4.16Å; R101-F103 HydrophobicContact CB-CZ 4.17Å
104R91.9Very high89.5Confident172 Ų17279.3 Ų79.365%0.64938%0.38SS*.  trans-112.714-174.6-65-167.216887.1-4.5114.3T88 V102 H106T88-R104 HydrophobicContact CG2-CG 3.99Å; V102-R104 HydrophobicContact CG1-CG 3.93Å; R104-H106 PolarHBondContact O-N 3.47Å
105E85.6Confident89Confident180 Ų18080.7 Ų80.784%0.84139%0.39SS*.  trans-72.6-11.2-177.9-61.6177.5-175.700113
106H83.2Confident88.7Confident45 Ų4580.5 Ų80.521%0.20839%0.393CS..  trans-85.9121.9-178.9-64.6-76.5000111.6A87 I89 R104 G108 V110 R261A87-H106 VanDerWaalsContact CB-O 3.31Å; A87-H106 WeakPolarHBondContact CB-O 3.34Å; A87-H106 WeakPolarHBondContact O-CB 3.25Å; I89-H106 VanDerWaalsContact CD1-NE2 3.27Å; I89-H106 WeakPolarHBondContact CD1-NE2 3.48Å; R104-H106 PolarHBondContact O-N 3.47Å; H106-G108 PolarHBondContact O-N 3.1Å; H106-V110 HydrophobicContact CB-CG2 4.28Å; H106-R261 PolarHBondContact ND1-NH2 3.16Å
107R84.3Confident87.5Confident246 Ų24685 Ų8593%0.92840%0.402SS*.SBendtrans-79.118.6172.6-64.1-175.6174.3-177.3-2.7115.8
108G88.8Confident85.9Confident23 Ų2387.6 Ų87.624%0.23742%0.422CS..SBendtrans171.2170-17600000112.7A87 H106 R261A87-G108 VanDerWaalsContact CB-C 3.45Å; A87-G108 WeakPolarHBondContact CB-O 3.47Å; H106-G108 PolarHBondContact O-N 3.1Å; G108-R261 VanDerWaalsContact C-NH1 3.34Å; G108-R261 PolarHBondContact O-NH1 3.22Å
109S91.3Very high83.8Confident53 Ų5386.3 Ų86.337%0.37143%0.434SS..  trans-41.5133.8-172.5-55.60000115.1R261S109-R261 PolarHBondContact O-NH1 3.02Å
110V92.2Very high81.4Confident3 Ų385.8 Ų85.82%0.01845%0.451CS..  trans-93.7112.6172.7-1750000108.2S84 I89 H106 L113S84-V110 PolarHBondContact O-N 3Å; I89-V110 HydrophobicContact CD1-CG1 4.43Å; I89-V110 HydrophobicContact CG1-CG1 4.09Å; I89-V110 HydrophobicContact CG1-CG2 3.95Å; H106-V110 HydrophobicContact CB-CG2 4.28Å; V110-L113 HydrophobicContact CG1-CD2 3.93Å; V110-L113 HydrophobicContact CG1-CG 4.23Å
111I90.4Very high78.7Confident79 Ų7988 Ų8841%0.40547%0.469SS..  trans-98.7-24.5-170.562.6170000114L69 R262L69-I111 HydrophobicContact CD1-CG2 4.08Å; I111-R262 HydrophobicContact CD1-CB 3.74Å
112C88.4Confident76.3Confident51 Ų5187.8 Ų87.835%0.34548%0.479SS..EExtended strand (participates in β ladder)trans-152.5152.7173.460.10000111.2R260C112-R260 PolarHBondContact O-N 3.15Å
113L89.2Confident73.5Confident19 Ų1990.4 Ų90.410%0.09950%0.504CS..EExtended strand (participates in β ladder)trans-129.5149.1175.2-69.1173.5000108V72 F81 I89 V110 L257 A259V72-L113 HydrophobicContact CB-CB 4.39Å; V72-L113 HydrophobicContact CG2-CB 3.65Å; V72-L113 WeakPolarHBondContact CG2-O 3.45Å; F81-L113 HydrophobicContact CB-CD1 4.16Å; I89-L113 HydrophobicContact CD1-CD2 3.64Å; I89-L113 HydrophobicContact CG1-CD2 4.07Å; I89-L113 HydrophobicContact CG2-CD1 4.13Å; I89-L113 HydrophobicContact CG2-CD2 4.34Å; V110-L113 HydrophobicContact CG1-CD2 3.93Å; V110-L113 HydrophobicContact CG1-CG 4.23Å; L113-L257 HydrophobicContact CB-CD1 4.38Å; L113-L257 HydrophobicContact CD2-CD1 4.4Å; L113-L257 HydrophobicContact CD2-CD2 4.45Å; L113-L257 HydrophobicContact CD2-CG 4.47Å; L113-A259 HydrophobicContact CD2-CB 3.66Å
114E87.1Confident71.1Confident81 Ų8193.8 Ų93.838%0.37953%0.533SS..EExtended strand (participates in β ladder)trans-139.5116-177.8-175.7176.8-174.500107.9V258 R260E114-V258 HydrophobicContact CB-CB 4.39Å; E114-V258 PolarHBondContact N-O 3.15Å; E114-V258 PolarHBondContact O-N 2.99Å; E114-R260 VanDerWaalsContact CD-NH2 3.31Å; E114-R260 IonicContact OE1-NH2 3.95Å; E114-R260 PolarHBondContact OE1-NH2 3.37Å; E114-R260 VanDerWaalsContact OE1-NH2 3.12Å; E114-R260 IonicContact OE2-CZ 2.93Å; E114-R260 IonicContact OE2-NE 3.13Å; E114-R260 PolarHBondContact OE2-NE 3.23Å; E114-R260 IonicContact OE2-NH2 3.12Å; E114-R260 PolarHBondContact OE2-NH2 3.11Å
115C77.6Confident68.5Low36 Ų3688.5 Ų88.524%0.24353%0.533CS..EExtended strand (participates in β ladder)trans-83.5122.3168.7169.50000107.9V72 F255V72-C115 HydrophobicContact CG1-CB 3.44Å; V72-C115 VanDerWaalsContact CG1-CB 3.44Å; C115-F255 HydrophobicContact CB-CE2 4.21Å; C115-F255 VanDerWaalsContact SG-CE2 3.51Å
116S77.9Confident66.8Low51 Ų5185.8 Ų85.836%0.35753%0.531SS..EExtended strand (participates in β ladder)trans-106.4122.2164.362.10000109.3S256S116-S256 PolarHBondContact N-O 3.07Å; S116-S256 PolarHBondContact O-N 2.82Å; S116-S256 WeakPolarHBondContact OG-CB 3.27Å; S116-S256 PolarHBondContact OG-O 3.03Å
117R63.3Low64.6Low149 Ų14988.6 Ų88.656%0.56256%0.555SS**EExtended strand (participates in β ladder)trans-92.2115.4169.2-63.9179.763.577.8-0.1107.2D74 P76 A119D74-R117 IonicContact OD1-NH1 3.79Å; D74-R117 PolarHBondContact OD1-NH1 3.24Å; P76-R117 VanDerWaalsContact CG-NH1 3.3Å; R117-A119 PolarHBondContact O-N 2.85Å
118A53.5Low62.6Low71 Ų7182.6 Ų82.659%0.58755%0.546SS*.  trans-66.4118.2172.500000108.6G120 G254A118-G120 VanDerWaalsContact C-N 3.34Å; A118-G120 PolarHBondContact O-N 2.77Å; A118-G254 VanDerWaalsContact CB-O 3.3Å; A118-G254 WeakPolarHBondContact CB-O 3.26Å; A118-G254 PolarHBondContact N-O 3.22Å
119A46.9Very low60.1Low105 Ų10592.5 Ų92.587%0.86858%0.576SS**  trans-69.691.8174.500000109.3R117 T121R117-A119 PolarHBondContact O-N 2.85Å; A119-T121 PolarHBondContact O-N 3.07Å
120G43.9Very low57.3Low72 Ų7294.5 Ų94.574%0.74259%0.59SS**  trans-59.3120.4175.900000110.8A118A118-G120 VanDerWaalsContact C-N 3.34Å; A118-G120 PolarHBondContact O-N 2.77Å
121T36.1Very low54.7Low137 Ų137102.4 Ų102.484%0.8463%0.631SS**  trans6.2107171.6-50.70000116.5A119 A123A119-T121 PolarHBondContact O-N 3.07Å; T121-A123 PolarHBondContact O-N 2.85Å
122L42Very low52Low168 Ų168106.9 Ų106.988%0.8865%0.651SS**  trans-53.8122.2167.1-71.9168.2000110.6
123A37.3Very low49.2Very low87 Ų87109.1 Ų109.172%0.71967%0.667SS**  trans-67.2138.9162.200000109.3T121 G125T121-A123 PolarHBondContact O-N 2.85Å; A123-G125 VanDerWaalsContact C-N 3.33Å; A123-G125 PolarHBondContact O-N 3.25Å
124P41.5Very low46.3Very low141 Ų141114.5 Ų114.592%0.91670%0.704SS**  trans-75.183.518030.4-34.7000111.2
125G38.9Very low43.4Very low62 Ų62114.1 Ų114.164%0.63972%0.722SS**  trans-117.7128.3171.700000111.2A123A123-G125 VanDerWaalsContact C-N 3.33Å; A123-G125 PolarHBondContact O-N 3.25Å
126P47.9Very low40.9Very low123 Ų123115.8 Ų115.880%0.79975%0.746SS**  trans-78.8157-179.531.6-34.7000113.2
127S37.2Very low38.5Very low104 Ų104119.6 Ų119.673%0.72777%0.771SS**  trans81.487.9160-54.30000119.8
128T43.1Very low36.9Very low119 Ų119119 Ų11973%0.7379%0.79SS**  57.2103.4129.3600000120.6
129R35.5Very low35.9Very low231 Ų231119.4 Ų119.487%0.87280%0.801SS**  -163.4153.399-118.2161.8-77.1-150.9-1.8114.9
130S32.8Very low35Very low96 Ų96119 Ų11967%0.67180%0.797SS**  trans32.987.6160.9-59.30000119.1E132S130-E132 PolarHBondContact O-N 3.44Å
131L37.3Very low34.4Very low168 Ų168122 Ų12288%0.8880%0.802SS**  trans-88.486.3148.7-133154.2000107.2S133L131-S133 PolarHBondContact O-N 3.42Å
132E35.2Very low34.1Very low174 Ų174124.5 Ų124.581%0.81380%0.803SS**  trans-74.673.3174.3-71.6-165.1138.400110.4S130 C134S130-E132 PolarHBondContact O-N 3.44Å; E132-C134 PolarHBondContact O-N 2.8Å; E132-C134 VanDerWaalsContact O-N 3.08Å
133S29.7Very low33.6Very low98 Ų98121.9 Ų121.969%0.68580%0.799SS**  trans-63.5105.6168.6-1760000109.2L131 G135L131-S133 PolarHBondContact O-N 3.42Å; S133-G135 VanDerWaalsContact C-N 3.27Å; S133-G135 PolarHBondContact O-N 3.48Å
134C27.2Very low33.3Very low131 Ų131123.7 Ų123.789%0.88581%0.806SS**  trans-67.286.9171.3-74.30000109.7E132E132-C134 PolarHBondContact O-N 2.8Å; E132-C134 VanDerWaalsContact O-N 3.08Å
135G27Very low32.9Very low73 Ų73122.3 Ų122.375%0.75380%0.8SS**  trans-72140.6-17500000113.9S133S133-G135 VanDerWaalsContact C-N 3.27Å; S133-G135 PolarHBondContact O-N 3.48Å
136G25.4Very low32.6Very low71 Ų71125.6 Ų125.673%0.73281%0.808SS**  trans152108.8172.400000112
137C26.3Very low31.9Very low131 Ų131124.5 Ų124.589%0.88581%0.809SS**  cis-144.7133.5-0.6-62.60000110.2
138S29.9Very low31.6Very low138 Ų138124.9 Ų124.997%0.96581%0.812SS**  trans-117.3101.7169.8-690000109.4
139G32.9Very low31Very low79 Ų79130.6 Ų130.681%0.81482%0.82SS**  trans154.556.4-178.600000114.9
140A27.4Very low30.5Very low96 Ų96126 Ų12679%0.79382%0.822SS**  trans-147.258.1176.600000112.5H142A140-H142 VanDerWaalsContact C-N 3.3Å; A140-H142 PolarHBondContact O-N 2.93Å
141T32.4Very low30.3Very low136 Ų136127.5 Ų127.583%0.83483%0.827SS**  trans-72.884.6162.446.20000109.9
142H28.3Very low29.8Very low189 Ų189124.3 Ų124.388%0.87583%0.825SS**  trans-161145.6148.9-95.5-59.8000111.2A140A140-H142 VanDerWaalsContact C-N 3.3Å; A140-H142 PolarHBondContact O-N 2.93Å
143S32.1Very low29.3Very low113 Ų113127.3 Ų127.379%0.7983%0.829SS**  trans-76.9132.4-177.951.80000113
144S30.8Very low29Very low125 Ų125128.6 Ų128.687%0.87484%0.837SS**  trans-159.9142.5139.748.20000111.8
145S34.6Very low29Very low112 Ų112128.1 Ų128.178%0.78383%0.834SS**  trans-91.7138.2171.646.40000110.3
146T30.9Very low29.2Very low130 Ų130131 Ų13180%0.79884%0.837SS**  trans174.5148134.9-76.20000109.4
147A34.9Very low29.6Very low100 Ų100133 Ų13383%0.82684%0.838SS**  trans-76.1131.2176.600000111.7
148S29.8Very low30Very low112 Ų112132.9 Ų132.978%0.78384%0.835SS**  trans-135.8146.1174.1-85.80000112
149R30.7Very low30Very low239 Ų239137.3 Ų137.390%0.90283%0.831SS**  trans-82.7127.8176.1-77.5167.7-96.7-164-8.2109.7T151R149-T151 PolarHBondContact O-N 2.68Å
150C25.3Very low29.8Very low135 Ų135140.6 Ų140.691%0.91284%0.835SS**  trans-8080.2175.5-64.10000111.7A152C150-A152 PolarHBondContact O-N 2.78Å
151T28.7Very low30Very low127 Ų127141.7 Ų141.778%0.77983%0.833SS**  trans-77.6103.4160.648.20000109.1R149 R153R149-T151 PolarHBondContact O-N 2.68Å; T151-R153 PolarHBondContact O-N 3.12Å
152A26.6Very low29.9Very low102 Ų102140.1 Ų140.184%0.84383%0.833SS**  trans-63.9130.6175.600000110.8C150C150-A152 PolarHBondContact O-N 2.78Å
153R24.4Very low30.5Very low237 Ų237137 Ų13789%0.89483%0.829SS**  trans-128.6109.1173.5-163.1179.5-152.6-89.62108.5T151 S155T151-R153 PolarHBondContact O-N 3.12Å; R153-S155 PolarHBondContact O-N 3.26Å
154C23.9Very low30.2Very low125 Ų125138.1 Ų138.185%0.84584%0.836SS**PPolyproline II helixtrans-64.9133.5-177.5-54.60000111.3
155S26.7Very low30.1Very low120 Ų120136.4 Ų136.484%0.83983%0.829SS**PPolyproline II helixtrans-95.3154.7167.440.80000110.8R153R153-S155 PolarHBondContact O-N 3.26Å
156T32.1Very low30Very low133 Ų133137.1 Ų137.182%0.81683%0.834SS**PPolyproline II helixtrans-84.3155-169450000114
157P33.7Very low29.8Very low114 Ų114134.7 Ų134.774%0.7484%0.836SS**PPolyproline II helixtrans-72.2159.4173.232.4-36.6000112.6
158P33.2Very low29.4Very low129 Ų129136.3 Ų136.384%0.83884%0.835SS**PPolyproline II helixtrans-77.5153.5179.232.1-35.6000113.2
159R29.8Very low29.2Very low230 Ų230136.5 Ų136.587%0.86884%0.835SS**PPolyproline II helixtrans-97.1136.9163.2-85.2179.7159.2-140.7-1.8110
160T30.6Very low28.9Very low148 Ų148130.3 Ų130.391%0.90884%0.835SS**PPolyproline II helixtrans-103.2148.6156.624.20000110.1
161T30.7Very low28.9Very low120 Ų120127.3 Ų127.374%0.73683%0.827SS**  trans-141.9116.1-174.6500000111.9
162A30.7Very low28.9Very low103 Ų103127.4 Ų127.485%0.85183%0.833SS**  trans-155.7147.9157.600000108.8
163P40.4Very low29Very low122 Ų122131.9 Ų131.979%0.79284%0.836SS**  trans-110159.6-168.539.8-32.9000114.7
164C25.7Very low29.4Very low138 Ų138127.4 Ų127.493%0.93284%0.835SS**  trans-126.2149.8154.7-74.40000109.1
165A29.2Very low30Very low88 Ų88126.1 Ų126.173%0.72783%0.825SS**  trans-112.6163.8-174.800000112.6
166S31.4Very low30.2Very low127 Ų127132 Ų13289%0.88883%0.829SS**  trans49116.4156.758.30000119.4
167G27.4Very low30.1Very low80 Ų80128.9 Ų128.983%0.82582%0.824SS**  trans-178.7134.1164.200000111.3
168T27.2Very low30.7Very low134 Ų134129.5 Ų129.582%0.82283%0.827SS**  trans-118.7162.9-171.2-340000111.6
169C24.3Very low30.5Very low115 Ų115130.7 Ų130.778%0.77783%0.826SS**  trans91.6138.1155.6-61.70000119.7
170A25.4Very low30.5Very low109 Ų109130.4 Ų130.490%0.90183%0.825SS**  trans59.3141.715900000119.3
171G24.5Very low31Very low72 Ų72128.3 Ų128.374%0.74281%0.814SS**  cis162.6138.8-9.500000112.4
172S30.1Very low30.8Very low130 Ų130128.3 Ų128.391%0.90982%0.817SS**  trans-150.6117.9163.3-81.50000109.2
173E27.3Very low30.7Very low195 Ų195127.7 Ų127.791%0.91181%0.812SS**  trans-87.5149.8168.9-62.3-179.786.300110.5
174V32.7Very low30.1Very low143 Ų143126.4 Ų126.487%0.86781%0.812SS**  trans-174144.7130.1140.40000107.8
175P37.5Very low30.2Very low99 Ų99123.7 Ų123.764%0.64380%0.795SS**  trans-112.7163.9-139.939.8-33.5000117.4
176R30.4Very low30.3Very low243 Ų243131 Ų13192%0.91780%0.803SS**  trans23125.4138.1-53.5167.5-177143.71.7116.2
177G29.9Very low30Very low68 Ų68128 Ų12870%0.70179%0.793SS**  cis116.3-168.334.100000109.6
178P45.8Very low30Very low126 Ų126129.8 Ų129.882%0.81879%0.792SS**  cis-89.7-124.6-10.73.720.4000109.9
179L29.1Very low30Very low154 Ų154129.3 Ų129.381%0.80680%0.795SS**  cis-143.4-172.8-1-110.2-174.7000110.8
180R29.8Very low30.2Very low224 Ų224127.8 Ų127.885%0.84579%0.791SS**  trans-151.4-170.5-172-52.1175.167.7-150.14.5108.3
181P41.6Very low30.3Very low104 Ų104128.5 Ų128.568%0.67578%0.784SS**  cis-127.6179.6-834.9-11.5000112.6
182C27.2Very low30.5Very low120 Ų120136.3 Ų136.381%0.81179%0.791SS**  -163.2163.477.8-97.10000115.5
183A27.9Very low30.2Very low90 Ų90141.9 Ų141.974%0.74479%0.792SS**  trans-9.9138.2172.900000120.1
184A28.4Very low30.3Very low95 Ų95137.4 Ų137.479%0.78579%0.789SS**  cis74.4137.644.800000114.2
185S28.2Very low30.2Very low82 Ų82135 Ų13557%0.57378%0.783SS**  cis-171.4166.3-11.558.50000112.3
186R29.5Very low30.1Very low240 Ų240135.8 Ų135.891%0.90679%0.789SS**  trans71.9153163.9-53149-159.6-111.61.7115
187G26.2Very low30.3Very low65 Ų65130.3 Ų130.367%0.6779%0.785SS**  cis-153.4146.1-8.500000109.4
188S27.3Very low30.5Very low117 Ų117138.8 Ų138.882%0.81880%0.795SS**  7676.168-60.20000114.7
189S27.7Very low30.2Very low125 Ų125138.2 Ų138.287%0.87479%0.792SS**  trans165.5161.7145.2-800000110.8
190A27.1Very low30Very low83 Ų83136.9 Ų136.969%0.68679%0.794SS**  cis-171.1141.5-34.900000108.3
191T27.3Very low30Very low123 Ų123131.7 Ų131.776%0.75579%0.792SS**  trans30.9105.3147.3-47.20000120.3
192R29Very low29.5Very low236 Ų236136 Ų13689%0.89180%0.795SS**  -156.5140.6127.1-155.4144.7-67.3-117.83.4113.2
193W25.3Very low29.8Very low247 Ų247136.1 Ų136.194%0.93679%0.794SS**PPolyproline II helixtrans-82.1136.8164.6-76.966.7000109.7
194A28.5Very low29.9Very low102 Ų102137 Ų13784%0.84379%0.787SS**PPolyproline II helixtrans-98.5122.6168.700000110
195A31.6Very low31Very low91 Ų91138.6 Ų138.675%0.75279%0.789SS**PPolyproline II helixtrans-94.9152.7171.900000110.3
196P34.5Very low31.1Very low116 Ų116139.8 Ų139.875%0.75380%0.803SS**PPolyproline II helixtrans-70.6150.9177.529.9-35.5000112
197P34.9Very low31.1Very low129 Ų129131.8 Ų131.884%0.83880%0.796SS**PPolyproline II helixtrans-67.3156.8176.828.6-34.8000112.7
198R33.3Very low31.9Very low245 Ų245134.4 Ų134.493%0.92580%0.801SS**  trans-111.2164.7178.4-96.9-170.2176-1391.2111.8
199P39.6Very low31.9Very low115 Ų115136.2 Ų136.275%0.74780%0.801SS**  trans-94.2165.1-158.836.8-38000115.8
200C25.7Very low32Very low126 Ų126139.5 Ų139.585%0.85180%0.802SS**  trans-140.1153.8163.1-71.30000106.9
201S29.2Very low32.1Very low115 Ų115141.6 Ų141.680%0.80481%0.807SS**  cis-162.9170.6-6.437.70000109.6
202R31.2Very low32.8Very low193 Ų193141.7 Ų141.773%0.72881%0.81SS**  trans-73.7172.2174.4-68.4-169.3-176.7177.4-2.6113.2D204R202-D204 WeakPolarHBondContact CD-OD2 3.5Å; R202-D204 IonicContact CZ-OD1 2.68Å; R202-D204 IonicContact CZ-OD2 3.8Å; R202-D204 IonicContact NE-OD2 3.07Å; R202-D204 VanDerWaalsContact NH1-CG 3.3Å; R202-D204 IonicContact NH1-OD1 2.78Å; R202-D204 PolarHBondContact NH1-OD1 2.88Å; R202-D204 VanDerWaalsContact NH1-OD1 3.07Å; R202-D204 IonicContact NH1-OD2 3.81Å; R202-D204 PolarHBondContact NH1-OD2 2.87Å
203P33.9Very low32.8Very low124 Ų124135.1 Ų135.181%0.80581%0.806SS**  -126.1163.6110.437.4-33.6000114.9
204D29.8Very low33Very low109 Ų109131.4 Ų131.458%0.58380%0.799SS**  trans-117.3-156.7173.9-61.3-76.8000110.1R202R202-D204 WeakPolarHBondContact CD-OD2 3.5Å; R202-D204 IonicContact CZ-OD1 2.68Å; R202-D204 IonicContact CZ-OD2 3.8Å; R202-D204 IonicContact NE-OD2 3.07Å; R202-D204 VanDerWaalsContact NH1-CG 3.3Å; R202-D204 IonicContact NH1-OD1 2.78Å; R202-D204 PolarHBondContact NH1-OD1 2.88Å; R202-D204 VanDerWaalsContact NH1-OD1 3.07Å; R202-D204 IonicContact NH1-OD2 3.81Å; R202-D204 PolarHBondContact NH1-OD2 2.87Å
205P51.6Low33.1Very low128 Ų128132.4 Ų132.483%0.83180%0.795SS**  -135164.6-98.641.9-24.7000119.3
206A30Very low33.4Very low106 Ų106134 Ų13488%0.87680%0.797SS**  trans-163.8165.6152.800000108.8
207G30.2Very low33.4Very low73 Ų73134.2 Ų134.275%0.75380%0.802SS**  cis129.3141.8-4.900000112.6
208P42Very low33.1Very low120 Ų120131.8 Ų131.878%0.77980%0.8SS**  cis-131.1175.4-0.543.3-27.3000116.7
209L27.8Very low33.3Very low155 Ų155126 Ų12681%0.81280%0.797SS**  trans33.9131.5153.9-9273.2000123.2
210Q29.4Very low32.9Very low193 Ų193129.7 Ų129.790%0.90280%0.804SS**  -159.6155.3103.7-106.5-175.425.600112.9
211T29.8Very low33.1Very low127 Ų127129.3 Ų129.378%0.77980%0.803SS**  trans-146.4147.3175.6-9.70000108.1
212P41.8Very low33.2Very low126 Ų126128 Ų12882%0.81880%0.799SS**  -141.5-169.483.941.3-24.5000111.4
213A29.7Very low33.4Very low97 Ų97123.9 Ų123.980%0.80280%0.797SS**  cis-141-178.25.400000111
214Q29.5Very low33.2Very low169 Ų169122.2 Ų122.279%0.7979%0.786SS**  trans-113.3157.2-172.5-64.7-170.7-2.200115.1
215T30Very low33.2Very low124 Ų124123.1 Ų123.176%0.76180%0.8SS**  trans68.9160.4147.6390000118.7
216P38.4Very low32.2Very low124 Ų124126.2 Ų126.281%0.80580%0.796SS**  cis-114.2173.810.941.3-31.2000116.9
217S32.8Very low32.1Very low121 Ų121126.7 Ų126.785%0.84679%0.79SS**  trans-72.9139.1176.251.10000113.5
218G28.6Very low32.1Very low78 Ų78134.8 Ų134.880%0.80480%0.798SS**  trans-144.288.4170.900000111.9Q220G218-Q220 PolarHBondContact O-N 2.93Å
219S37.4Very low31.3Very low122 Ų122140.5 Ų140.585%0.85380%0.804SS**  trans-85.3101.5179.954.90000111.8
220Q31.9Very low31.4Very low194 Ų194143.5 Ų143.591%0.90781%0.805SS**  trans-132.7116.9163.6-66.4-166.535.900110.4G218 A222G218-Q220 PolarHBondContact O-N 2.93Å; Q220-A222 PolarHBondContact O-N 3.23Å
221S29.8Very low31.1Very low118 Ų118142.9 Ų142.983%0.82579%0.794SS**  trans-78.7109.8174.752.50000110
222A31.6Very low30.8Very low87 Ų87142.9 Ų142.972%0.71980%0.797SS**  trans-59.3136.8165.700000109.6Q220Q220-A222 PolarHBondContact O-N 3.23Å
223P34.7Very low30.1Very low107 Ų107145.7 Ų145.770%0.69580%0.801SS**  trans-64.1143.1176.827.7-34.4000109.9C225P223-C225 PolarHBondContact O-N 3.01Å; P223-C225 VanDerWaalsContact O-N 3.09Å
224P31.5Very low30.1Very low88 Ų88145.4 Ų145.457%0.57180%0.799SS**  trans-63.9116177.626-33.3000109.9Y226P224-Y226 VanDerWaalsContact C-N 3.3Å; P224-Y226 HydrophobicContact CG-CE2 4.12Å; P224-Y226 VanDerWaalsContact O-CD2 3.26Å; P224-Y226 WeakPolarHBondContact O-CD2 3.3Å; P224-Y226 PolarHBondContact O-N 2.81Å
225C28.5Very low30.1Very low129 Ų129141.4 Ų141.487%0.87280%0.803SS**  trans-66.590170.3-66.10000109.6P223P223-C225 PolarHBondContact O-N 3.01Å; P223-C225 VanDerWaalsContact O-N 3.09Å
226Y30.2Very low30.1Very low192 Ų192142.9 Ų142.975%0.75380%0.801SS**PPolyproline II helixtrans-56128.4174.2-62.9-81.8000110P224 R228P224-Y226 VanDerWaalsContact C-N 3.3Å; P224-Y226 HydrophobicContact CG-CE2 4.12Å; P224-Y226 VanDerWaalsContact O-CD2 3.26Å; P224-Y226 WeakPolarHBondContact O-CD2 3.3Å; P224-Y226 PolarHBondContact O-N 2.81Å; Y226-R228 PolarHBondContact O-N 2.91Å
227P29.6Very low29.7Very low116 Ų116140.8 Ų140.875%0.75380%0.802SS**PPolyproline II helixtrans-63.8121.917426.3-32.8000109W229P227-W229 PolarHBondContact O-N 2.82Å; P227-W229 VanDerWaalsContact O-N 3.16Å
228R28.5Very low29.6Very low243 Ų243145.7 Ų145.792%0.91780%0.802SS**PPolyproline II helixtrans-62.5118169-82.6-174.2169.4-166.5-2.3108.6Y226Y226-R228 PolarHBondContact O-N 2.91Å
229W25.4Very low29.6Very low240 Ų240145.5 Ų145.591%0.90980%0.8SS**PPolyproline II helixtrans-49.1137.6161.7-58.288.4000109.6P227P227-W229 PolarHBondContact O-N 2.82Å; P227-W229 VanDerWaalsContact O-N 3.16Å
230W30.9Very low29.3Very low218 Ų218144.7 Ų144.783%0.82680%0.801SS**  trans-153.2179.8166-133.2-148000115.2
231R22.6Very low29.1Very low180 Ų180147.4 Ų147.468%0.67980%0.803SS**  trans-86157.8-137.1-69.1169.7172.2-141.3-5.6115.4
232P22.6Very low29.1Very low128 Ų128151.5 Ų151.583%0.83181%0.806SS**  trans-57.5137.5156.6-16.930.5000110.5
233M28.1Very low29.2Very low184 Ų184153.4 Ų153.491%0.90681%0.811SS**  trans-94.3106.1170.7-76.2-70.8-72.900109.4
234A29.4Very low28.8Very low92 Ų92152 Ų15276%0.7682%0.815SS**  trans-85.1120.6167.800000109.4E236A234-E236 PolarHBondContact O-N 3.06Å; A234-E236 VanDerWaalsContact O-N 3.15Å
235G29.3Very low28.5Very low85 Ų85158.2 Ų158.288%0.87683%0.828SS**  trans-83.180.1-178.300000113.4G237G235-G237 PolarHBondContact O-N 3.21Å; G235-G237 VanDerWaalsContact O-N 3.14Å
236E30.9Very low28.6Very low154 Ų154159.7 Ų159.772%0.7282%0.822SS**  trans-72.498.8169-79.4-162.1109.700111.7A234 R238A234-E236 PolarHBondContact O-N 3.06Å; A234-E236 VanDerWaalsContact O-N 3.15Å; E236-R238 PolarHBondContact O-N 2.98Å; E236-R238 IonicContact OE2-NH2 3.62Å
237G28.6Very low28.3Very low80 Ų80159.9 Ų159.983%0.82583%0.829SS**  trans-75.898.3170.200000112.3G235 G239G235-G237 PolarHBondContact O-N 3.21Å; G235-G237 VanDerWaalsContact O-N 3.14Å; G237-G239 PolarHBondContact O-N 3.11Å; G237-G239 VanDerWaalsContact O-N 3.07Å
238R31.5Very low28.2Very low225 Ų225159.9 Ų159.985%0.84983%0.832SS**  trans-73.395.1173.2-61.3-175.3-156.7-87.1-12.1111.2E236E236-R238 PolarHBondContact O-N 2.98Å; E236-R238 IonicContact OE2-NH2 3.62Å
239G28.9Very low28.2Very low74 Ų74154.3 Ų154.376%0.76383%0.828SS**  trans-108.6114.7170.200000111.7G237G237-G239 PolarHBondContact O-N 3.11Å; G237-G239 VanDerWaalsContact O-N 3.07Å
240A30.2Very low28.4Very low105 Ų105148.2 Ų148.287%0.86882%0.821SS**  trans-88.2117.6-177.500000112.8
241R28.7Very low28.2Very low250 Ų250147.2 Ų147.294%0.94383%0.826SS**  trans-140.2147.3158-77.5-164.4171-149.1-3.1110.6
242K29.5Very low28.5Very low204 Ų204143.3 Ų143.389%0.88783%0.833SS**  trans-88.5164.1174-103.3-169.1175.1-175.20110.9
243P34.3Very low29.4Very low128 Ų128141.6 Ų141.683%0.83182%0.823SS**  trans-84.3150-145.631.8-37.7000115.3
244G25.1Very low29.9Very low76 Ų76135 Ų13578%0.78480%0.802SS**  trans-139.7118.1162.700000109
245R26.7Very low30.8Very low220 Ų220134.1 Ų134.183%0.8378%0.782SS**  trans2.1127.7170.4-160.2173.7-173.1-162.82.7120.3
246E28.8Very low32Very low160 Ų160133 Ų13375%0.74876%0.761SS**  trans18.4109.4152.7-58.616498.700119.5
247E25Very low33.3Very low195 Ų195127.7 Ų127.791%0.91174%0.737SS**  -140143.8124.1-109.9-170.5116.500109
248S27.3Very low35.2Very low116 Ų116126.6 Ų126.681%0.81171%0.714SS**PPolyproline II helixtrans-78.3122.6-174.9-63.70000110.9S250S248-S250 PolarHBondContact O-N 3.02Å; S248-S250 VanDerWaalsContact O-N 3.11Å
249P28.6Very low36.4Very low127 Ų127117.5 Ų117.583%0.82569%0.687SS**PPolyproline II helixtrans-65.7116.4174.426.9-32.7000109.6
250S28.6Very low37.2Very low111 Ų111120.6 Ų120.678%0.77668%0.675SS**PPolyproline II helixtrans-61.4158.3170.752.60000110.8S248 A252S248-S250 PolarHBondContact O-N 3.02Å; S248-S250 VanDerWaalsContact O-N 3.11Å; S250-A252 PolarHBondContact O-N 3.28Å
251Q28.6Very low37.9Very low197 Ų197121.2 Ų121.292%0.92166%0.655SS**  trans-54.2109.1-167-63.2173.48.800112.2S253Q251-S253 PolarHBondContact O-N 3.25Å
252A29Very low38.2Very low99 Ų99119.3 Ų119.382%0.81865%0.648SS**  trans-65.6109.1176.500000109.9S250 G254S250-A252 PolarHBondContact O-N 3.28Å; A252-G254 PolarHBondContact O-N 2.88Å
253S39.6Very low38.2Very low91 Ų91120.1 Ų120.164%0.63665%0.646SS**  trans-63.6117.8175.444.90000109.9Q251 F255Q251-S253 PolarHBondContact O-N 3.25Å; S253-F255 VanDerWaalsContact C-N 3.29Å; S253-F255 PolarHBondContact O-N 3.14Å
254G39.1Very low38.1Very low45 Ų45122.2 Ų122.246%0.46464%0.644SS.*  trans-70.180.3-178.200000112.3A118 A252A118-G254 VanDerWaalsContact CB-O 3.3Å; A118-G254 WeakPolarHBondContact CB-O 3.26Å; A118-G254 PolarHBondContact N-O 3.22Å; A252-G254 PolarHBondContact O-N 2.88Å
255F48.7Very low38.3Very low75 Ų75129.5 Ų129.533%0.32965%0.648SS.*EExtended strand (participates in β ladder)trans-101134.2179.4171.7-91.5000111D74 F81 C115 S253 L257D74-F255 HydrophobicContact CB-CD2 4.33Å; D74-F255 HydrophobicContact CB-CE2 3.99Å; F81-F255 HydrophobicContact CD2-CZ 4.09Å; F81-F255 HydrophobicContact CE1-CE1 4.47Å; F81-F255 HydrophobicContact CE1-CZ 4.29Å; F81-F255 HydrophobicContact CE2-CE1 4.15Å; F81-F255 AromaticContact CE2-CE2 3.9Å; F81-F255 HydrophobicContact CE2-CE2 3.9Å; F81-F255 AromaticContact CE2-CZ 3.34Å; F81-F255 HydrophobicContact CE2-CZ 3.34Å; F81-F255 AromaticContact CZ-CE1 3.79Å; F81-F255 HydrophobicContact CZ-CE1 3.79Å; F81-F255 HydrophobicContact CZ-CE2 4.35Å; F81-F255 AromaticContact CZ-CZ 3.46Å; F81-F255 HydrophobicContact CZ-CZ 3.46Å; F81-F255 VanDerWaalsContact CZ-CZ 3.46Å; C115-F255 HydrophobicContact CB-CE2 4.21Å; C115-F255 VanDerWaalsContact SG-CE2 3.51Å; S253-F255 VanDerWaalsContact C-N 3.29Å; S253-F255 PolarHBondContact O-N 3.14Å; F255-L257 HydrophobicContact CE1-CB 3.72Å; F255-L257 HydrophobicContact CZ-CB 3.75Å; F255-L257 HydrophobicContact CZ-CD1 4.32Å
256S54.8Low38.5Very low62 Ų62127 Ų12743%0.43465%0.646SS.*EExtended strand (participates in β ladder)trans-136.2119167.2-167.80000111S116S116-S256 PolarHBondContact N-O 3.07Å; S116-S256 PolarHBondContact O-N 2.82Å; S116-S256 WeakPolarHBondContact OG-CB 3.27Å; S116-S256 PolarHBondContact OG-O 3.03Å
257L58.8Low38.6Very low41 Ų41125.3 Ų125.322%0.21565%0.65CS.*EExtended strand (participates in β ladder)trans-88.2119.9173.5-175.569.7000109.3F81 I89 L113 F255F81-L257 HydrophobicContact CB-CD1 4.34Å; F81-L257 HydrophobicContact CB-CD2 4.35Å; F81-L257 HydrophobicContact CD1-CD2 3.62Å; F81-L257 HydrophobicContact CE1-CD2 4.08Å; F81-L257 HydrophobicContact CG-CD1 4.25Å; F81-L257 HydrophobicContact CG-CD2 4.04Å; I89-L257 HydrophobicContact CG2-CD2 4.18Å; L113-L257 HydrophobicContact CB-CD1 4.38Å; L113-L257 HydrophobicContact CD2-CD1 4.4Å; L113-L257 HydrophobicContact CD2-CD2 4.45Å; L113-L257 HydrophobicContact CD2-CG 4.47Å; F255-L257 HydrophobicContact CE1-CB 3.72Å; F255-L257 HydrophobicContact CZ-CB 3.75Å; F255-L257 HydrophobicContact CZ-CD1 4.32Å
258V67.1Low39.1Very low57 Ų57120 Ų12035%0.34564%0.635SS.*EExtended strand (participates in β ladder)trans-106.8119.6174.6-178.70000109.2E114 R260E114-V258 HydrophobicContact CB-CB 4.39Å; E114-V258 PolarHBondContact N-O 3.15Å; E114-V258 PolarHBondContact O-N 2.99Å; V258-R260 HydrophobicContact CG1-CG 4.08Å
259A57.3Low39.7Very low34 Ų34120.4 Ų120.428%0.28164%0.635SS.*EExtended strand (participates in β ladder)trans-103.8121.3172.900000109.6I89 L113I89-A259 HydrophobicContact CD1-CB 3.59Å; L113-A259 HydrophobicContact CD2-CB 3.66Å
260R45.1Very low39.9Very low139 Ų139125.5 Ų125.553%0.52564%0.638SS.*EExtended strand (participates in β ladder)trans-105.7144.1-178.5-50.2-173.7-171.8-145.110110.9C112 E114 V258C112-R260 PolarHBondContact O-N 3.15Å; E114-R260 VanDerWaalsContact CD-NH2 3.31Å; E114-R260 IonicContact OE1-NH2 3.95Å; E114-R260 PolarHBondContact OE1-NH2 3.37Å; E114-R260 VanDerWaalsContact OE1-NH2 3.12Å; E114-R260 IonicContact OE2-CZ 2.93Å; E114-R260 IonicContact OE2-NE 3.13Å; E114-R260 PolarHBondContact OE2-NE 3.23Å; E114-R260 IonicContact OE2-NH2 3.12Å; E114-R260 PolarHBondContact OE2-NH2 3.11Å; V258-R260 HydrophobicContact CG1-CG 4.08Å
261R45Very low40.5Very low119 Ų119123.2 Ų123.245%0.44963%0.632SS.*  trans-98.3157.2167.9-68.1-163.3-176.1-67.2-6111.2H106 G108 S109H106-R261 PolarHBondContact ND1-NH2 3.16Å; G108-R261 VanDerWaalsContact C-NH1 3.34Å; G108-R261 PolarHBondContact O-NH1 3.22Å; S109-R261 PolarHBondContact O-NH1 3.02Å
262R35.2Very low41Very low209 Ų209120 Ų12079%0.78963%0.628SS**  trans-77.9135149.2-172.1175.2-167.2159.74.9108.1I111 E264I111-R262 HydrophobicContact CD1-CB 3.74Å; R262-E264 PolarHBondContact O-N 2.86Å
263W29.8Very low41.3Very low222 Ų222120.3 Ų120.384%0.84162%0.622SS**  trans-69.4115.4175.7-168.6-75.7000110
264E32.7Very low41.5Very low172 Ų172121.9 Ų121.980%0.80463%0.63SS**  trans-85142162.9-72.6-176.5156.800108.9R262 E266R262-E264 PolarHBondContact O-N 2.86Å; E264-E266 PolarHBondContact O-N 3.19Å
265R29.2Very low41.3Very low228 Ų228129.1 Ų129.186%0.8665%0.649SS**  trans-78.791.9-179-78.3-169.5-80.5-167.4-3.8109.8C267R265-C267 PolarHBondContact O-N 3.38Å
266E30Very low41.2Very low167 Ų167131.1 Ų131.178%0.7867%0.669SS**  trans-60.999.7156.5-72.6-177.4136.300108.5E264 S268E264-E266 PolarHBondContact O-N 3.19Å; E266-S268 PolarHBondContact O-N 3.39Å; E266-S268 VanDerWaalsContact O-N 3.15Å
267C31Very low40.7Very low125 Ų125141.8 Ų141.885%0.84571%0.708SS**  trans-70.699.3159.6-74.40000107R265R265-C267 PolarHBondContact O-N 3.38Å
268S35.8Very low39.8Very low83 Ų83146.8 Ų146.858%0.5873%0.733SS**  trans-56.8144.5-168.3-60.80000114.1E266 W270E266-S268 PolarHBondContact O-N 3.39Å; E266-S268 VanDerWaalsContact O-N 3.15Å; S268-W270 PolarHBondContact O-N 3.09Å
269P39.7Very low38.4Very low126 Ų126151.5 Ų151.582%0.81875%0.753SS**  trans-79.688.5-175.632.9-36000111.8
270W33.3Very low37.3Very low234 Ų234158.1 Ų158.189%0.88678%0.78SS**  trans-129.2112.5169.7-65.694.4000110.1S268S268-W270 PolarHBondContact O-N 3.09Å
271G41.5Very low36.9Very low63 Ų63159.2 Ų159.265%0.64980%0.795SS**PPolyproline II helixtrans-69.4170.4167.300000111.7
272P37.8Very low36.3Very low128 Ų128161.7 Ų161.783%0.83182%0.816SS**PPolyproline II helixtrans-61.3140.4179.426.5-34.4000111.2
273P36.7Very low36.4Very low107 Ų107158.5 Ų158.570%0.69582%0.818SS**PPolyproline II helixtrans-70.6152.9178.830.5-35.5000111.6
274P42.3Very low36.9Very low124 Ų124154 Ų15481%0.80582%0.816SS**PPolyproline II helixtrans-71.4140.8174.130.5-34.4000111.4
275F35Very low37.2Very low196 Ų196152.6 Ų152.686%0.8682%0.817SS**PPolyproline II helixtrans-80.1133.3170.5-63.4-90.7000110.6
276P48Very low37.9Very low118 Ų118146.3 Ų146.377%0.76681%0.814SS**PPolyproline II helixtrans-77.8153.4153.133.8-31.3000110.4
277F43.6Very low38.6Very low285 Ų285144.5 Ų144.5100%1.2582%0.817SS**  trans-85.10160.2-82.1-94.6000110

Retrieved 277 of 277 residues in 35.3 ms (Link to these results)