NT2NR_HUMAN Loading...

Notch homolog 2 N-terminal-like protein R

AlphaFold DB , UniProt , Accession A0A096LNW5, Species HUMAN (Homo sapiens, Human), Gene NOTCH2NLR, Length 274 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
1M39.7Very low60.6Low237 Ų237133.7 Ų133.7100%1.16773%0.728SS**  0110.80-64.617317800107.3
2P49.3Very low61.7Low131 Ų131131 Ų13185%0.85171%0.712SS**PPolyproline II helixtrans-78128.1-175.530.2-30000110.2L4P2-L4 PolarHBondContact O-N 3.35Å
3A52.3Low62.2Low100 Ų100128.7 Ų128.783%0.82670%0.698SS**PPolyproline II helixtrans-63.7118178.900000110.5R5A3-R5 PolarHBondContact O-N 2.71Å
4L52.2Low62.3Low152 Ų152123.3 Ų123.380%0.79668%0.679SS**PPolyproline II helixtrans-64.5124.1173.2-130.277.5000108.9P2P2-L4 PolarHBondContact O-N 3.35Å
5R61.9Low62.4Low212 Ų212121.3 Ų121.380%0.867%0.666SS**PPolyproline II helixtrans-64.7142.2-172.4-79.4175.3167.1-173.3-4.3112.4A3 A7 L8A3-R5 PolarHBondContact O-N 2.71Å; R5-A7 PolarHBondContact O-N 3.45Å; R5-A7 VanDerWaalsContact O-N 3.11Å; R5-L8 PolarHBondContact O-N 3.39Å
6P64.9Low62.6Low89 Ų89125.8 Ų125.858%0.57867%0.671SS**THydrogen-bonded Turntrans-60.6-23.8-175.121.3-32.2000114.9L8 L9 W10P6-L8 VanDerWaalsContact C-N 3.3Å; P6-L8 PolarHBondContact O-N 3.03Å; P6-L9 WeakPolarHBondContact O-CB 3.37Å; P6-L9 PolarHBondContact O-N 3.26Å; P6-L9 VanDerWaalsContact O-N 3.13Å; P6-W10 VanDerWaalsContact O-CD1 3.23Å; P6-W10 PolarHBondContact O-N 3.04Å
7A66.8Low62.3Low76 Ų76125.8 Ų125.863%0.62867%0.67SS**Hα-helixtrans-61.8-31.7-176.700000114.4R5 L9 W10 A11R5-A7 PolarHBondContact O-N 3.45Å; R5-A7 VanDerWaalsContact O-N 3.11Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-W10 PolarHBondContact O-N 3.29Å; A7-A11 PolarHBondContact O-N 3.4Å
8L68.1Low62.1Low116 Ų116124.7 Ų124.761%0.60767%0.672SS**Hα-helixtrans-69.6-33.8177.5-126.187.2000112R5 P6 L12R5-L8 PolarHBondContact O-N 3.39Å; P6-L8 VanDerWaalsContact C-N 3.3Å; P6-L8 PolarHBondContact O-N 3.03Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.42Å; L8-L12 VanDerWaalsContact O-N 3.08Å
9L71.2Confident61.7Low107 Ų107129.6 Ų129.656%0.5668%0.68SS**Hα-helixtrans-66.1-38.1177.6-82.6144.7000111.6P6 A7 L13P6-L9 WeakPolarHBondContact O-CB 3.37Å; P6-L9 PolarHBondContact O-N 3.26Å; P6-L9 VanDerWaalsContact O-N 3.13Å; A7-L9 VanDerWaalsContact C-N 3.34Å; L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 WeakPolarHBondContact O-CD1 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.17Å; L9-L13 PolarHBondContact O-N 3.06Å
10W68.6Low61.3Low196 Ų196126.6 Ų126.674%0.74268%0.675SS**Hα-helixtrans-71.1-38.6179.1-7465000112.4P6 A7 L13 A14P6-W10 VanDerWaalsContact O-CD1 3.23Å; P6-W10 PolarHBondContact O-N 3.04Å; A7-W10 PolarHBondContact O-N 3.29Å; W10-L13 PolarHBondContact O-N 3.48Å; W10-A14 WeakPolarHBondContact O-CB 3.49Å; W10-A14 PolarHBondContact O-N 3.31Å
11A71.6Confident60.8Low55 Ų55124.1 Ų124.146%0.45567%0.672SS.*Hα-helixtrans-66.2-41.4175.100000112A7 A14 L15A7-A11 PolarHBondContact O-N 3.4Å; A11-A14 PolarHBondContact O-N 3.04Å; A11-L15 WeakPolarHBondContact O-CB 3.39Å; A11-L15 WeakPolarHBondContact O-CD1 3.23Å; A11-L15 PolarHBondContact O-N 2.88Å
12L73.7Confident61.6Low101 Ų101117 Ų11753%0.52964%0.644SS.*Hα-helixtrans-66.5-39.9175.5-72.3170.2000112.2L8 L15 W16L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.42Å; L8-L12 VanDerWaalsContact O-N 3.08Å; L12-L15 PolarHBondContact O-N 3.26Å; L12-W16 WeakPolarHBondContact O-CB 3.03Å; L12-W16 PolarHBondContact O-N 2.73Å
13L68.9Low62Low101 Ų101115.6 Ų115.653%0.52964%0.643SS.*Hα-helixtrans-63.8-41.7174-82.9162.1000112.1L9 W10 W16 L17L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 WeakPolarHBondContact O-CD1 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.17Å; L9-L13 PolarHBondContact O-N 3.06Å; W10-L13 PolarHBondContact O-N 3.48Å; L13-W16 PolarHBondContact O-N 3.14Å; L13-L17 WeakPolarHBondContact O-CB 2.98Å; L13-L17 VanDerWaalsContact O-CG 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 3.2Å
14A63.7Low62.7Low53 Ų53118.8 Ų118.844%0.43864%0.641SS.*Hα-helixtrans-66.8-40.7176.100000112.1W10 A11 L17 C18W10-A14 WeakPolarHBondContact O-CB 3.49Å; W10-A14 PolarHBondContact O-N 3.31Å; A11-A14 PolarHBondContact O-N 3.04Å; A14-L17 PolarHBondContact O-N 2.99Å; A14-C18 WeakPolarHBondContact O-CB 3.31Å; A14-C18 PolarHBondContact O-N 3.38Å; A14-C18 PolarHBondContact O-SG 3.15Å
15L63.9Low63.9Low93 Ų93114.4 Ų114.449%0.48763%0.626SS.*Hα-helixtrans-62.8-40.4172.5-87.9152.4000112.1A11 L12 C18 W19A11-L15 WeakPolarHBondContact O-CB 3.39Å; A11-L15 WeakPolarHBondContact O-CD1 3.23Å; A11-L15 PolarHBondContact O-N 2.88Å; L12-L15 PolarHBondContact O-N 3.26Å; L15-C18 PolarHBondContact O-N 3.02Å; L15-W19 PolarHBondContact O-N 3.22Å
16W65.2Low65.1Low194 Ų194105 Ų10574%0.73559%0.592SS**Hα-helixtrans-64.7-43.5173.3-106.360.2000112.7L12 L13 C18 W19 A20L12-W16 WeakPolarHBondContact O-CB 3.03Å; L12-W16 PolarHBondContact O-N 2.73Å; L13-W16 PolarHBondContact O-N 3.14Å; W16-C18 VanDerWaalsContact C-N 3.31Å; W16-C18 PolarHBondContact O-N 3.08Å; W16-W19 PolarHBondContact O-N 3.19Å; W16-A20 WeakPolarHBondContact O-CB 3.17Å; W16-A20 PolarHBondContact O-N 3.39Å
17L56.7Low66.3Low126 Ų126106.1 Ų106.166%0.6659%0.589SS**Hα-helixtrans-67-32.2176.8-73.6165.9000112L13 A14L13-L17 WeakPolarHBondContact O-CB 2.98Å; L13-L17 VanDerWaalsContact O-CG 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 3.2Å; A14-L17 PolarHBondContact O-N 2.99Å
18C58.8Low67.5Low105 Ų105103.4 Ų103.471%0.70957%0.566SS**Hα-helixtrans-74.4-26.5173.3-77.80000113.6A14 L15 W16A14-C18 WeakPolarHBondContact O-CB 3.31Å; A14-C18 PolarHBondContact O-N 3.38Å; A14-C18 PolarHBondContact O-SG 3.15Å; L15-C18 PolarHBondContact O-N 3.02Å; W16-C18 VanDerWaalsContact C-N 3.31Å; W16-C18 PolarHBondContact O-N 3.08Å
19W54Low68.6Low218 Ų218107.5 Ų107.583%0.82657%0.573SS**Hα-helixtrans-88.4-17.6177.3-757.2000113.9L15 W16L15-W19 PolarHBondContact O-N 3.22Å; W16-W19 PolarHBondContact O-N 3.19Å
20A53.7Low69.7Low69 Ų69106 Ų10657%0.5757%0.566SS**  trans-116.920.3-173.400000114.2W16 P22W16-A20 WeakPolarHBondContact O-CB 3.17Å; W16-A20 PolarHBondContact O-N 3.39Å; A20-P22 WeakPolarHBondContact O-CD 3.49Å
21A51.9Low70.8Confident76 Ų7698.5 Ų98.563%0.62855%0.549SS*.SBendtrans-76.1102.2156.900000106.3A23A21-A23 PolarHBondContact O-N 3.25Å
22P55.8Low71.9Confident88 Ų88103.3 Ų103.357%0.57156%0.557SS**  trans-55.1122.8172.223.1-31.3000106.6A20 H24A20-P22 WeakPolarHBondContact O-CD 3.49Å; P22-H24 PolarHBondContact O-N 3.09Å; P22-H24 PolarHBondContact O-ND1 2.87Å
23A58.9Low72.9Confident101 Ų101102.6 Ų102.684%0.83555%0.551SS**  trans-57.5100.5162.300000105A21 A25A21-A23 PolarHBondContact O-N 3.25Å; A23-A25 PolarHBondContact O-N 3.19Å
24H66.6Low74.1Confident167 Ų167100.1 Ų100.177%0.77354%0.54SS*.  trans-66.4106.6-179.9-70.371.6000105.3P22P22-H24 PolarHBondContact O-N 3.09Å; P22-H24 PolarHBondContact O-ND1 2.87Å
25A77.1Confident75.7Confident60 Ų6098.3 Ų98.350%0.49652%0.524SS..  trans-57.1147.4169.400000108.7A23 Q27 T48A23-A25 PolarHBondContact O-N 3.19Å; A25-Q27 PolarHBondContact O-N 3.04Å; A25-T48 HydrophobicContact CB-CG2 3.43Å; A25-T48 VanDerWaalsContact CB-CG2 3.43Å
26L86.9Confident77.2Confident15 Ų1597 Ų978%0.07952%0.52CS..  trans-54.9131.5178.9-173.6153.4000109.4P34 T48 G49 Y61L26-P34 HydrophobicContact CD1-CG 4.34Å; L26-P34 HydrophobicContact CD2-CG 4.13Å; L26-P34 HydrophobicContact CG-CG 4Å; L26-T48 CarbonylContact O-C 3.56Å; L26-G49 VanDerWaalsContact CD2-C 3.46Å; L26-G49 WeakPolarHBondContact CD2-O 3.46Å; L26-G49 PolarHBondContact O-N 2.95Å; L26-Y61 HydrophobicContact CD1-CD1 3.57Å; L26-Y61 HydrophobicContact CD1-CE1 3.23Å; L26-Y61 HydrophobicContact CD1-CE2 4.41Å; L26-Y61 HydrophobicContact CD1-CG 4.3Å; L26-Y61 HydrophobicContact CG-CD1 4.46Å; L26-Y61 HydrophobicContact CG-CE1 3.79Å
27Q90.3Very high78.6Confident111 Ų11191.2 Ų91.252%0.51950%0.504SS..  trans-123.9126.5179.3-17064.127.800109.3A25 R29 P34 G47A25-Q27 PolarHBondContact O-N 3.04Å; Q27-R29 PolarHBondContact O-N 3.25Å; Q27-P34 WeakPolarHBondContact O-CD 3.27Å; Q27-G47 PolarHBondContact NE2-O 2.98Å; Q27-G47 PolarHBondContact OE1-O 3.31Å
28C92.2Very high80.5Confident20 Ų2094.4 Ų94.414%0.13551%0.512CS..  trans-72.3127.5175.8-58.60000110.2C41 T43C28-C41 WeakPolarHBondContact CA-SG 3.45Å; C28-C41 HydrophobicContact CB-CB 3.76Å; C28-C41 WeakPolarHBondContact CB-SG 3.38Å; C28-C41 VanDerWaalsContact SG-C 3.52Å; C28-C41 WeakPolarHBondContact SG-CB 3.29Å; C28-C41 CovalentContact SG-SG 2.03Å; C28-C41 PolarHBondContact SG-SG 3.22Å; C28-T43 HydrophobicContact CB-CG2 3.7Å
29R91.9Very high82.3Confident201 Ų20189.5 Ų89.576%0.75848%0.479SS*.SBendtrans-86.6-39.3171.9178.2173.5168.8-152.24.3110.8Q27 E33Q27-R29 PolarHBondContact O-N 3.25Å; R29-E33 HydrophobicContact CB-CB 4.18Å; R29-E33 WeakPolarHBondContact CD-OE2 3.19Å; R29-E33 IonicContact CZ-OE2 2.75Å; R29-E33 PolarHBondContact N-O 2.95Å; R29-E33 IonicContact NE-OE2 4Å; R29-E33 IonicContact NH1-OE1 2.73Å; R29-E33 IonicContact NH1-OE2 3.72Å; R29-E33 PolarHBondContact NH1-OE2 3.27Å
30D92.9Very high84.3Confident77 Ų7784 Ų8441%0.41246%0.464SS..SBendtrans-143.9-162.6171.164.535000109.7Y32 E33D30-Y32 PolarHBondContact O-N 2.79Å; D30-Y32 WeakPolarHBondContact OD1-CA 3.13Å; D30-Y32 PolarHBondContact OD1-N 3.49Å; D30-E33 PolarHBondContact OD1-N 3.43Å
31G93Very high86.4Confident38 Ų3881.2 Ų81.239%0.39244%0.44SS..SBendtrans-70.3-7.4179.500000115.4M40 C41G31-M40 WeakPolarHBondContact O-CA 3.1Å; G31-M40 WeakPolarHBondContact O-CG 3.03Å; G31-C41 PolarHBondContact O-N 3.25Å
32Y95Very high88.4Confident156 Ų15679.4 Ų79.461%0.61242%0.421SS*.SBendtrans-129.4-48.7-176-59.9-80.7000112D30 C35D30-Y32 PolarHBondContact O-N 2.79Å; D30-Y32 WeakPolarHBondContact OD1-CA 3.13Å; D30-Y32 PolarHBondContact OD1-N 3.49Å; Y32-C35 VanDerWaalsContact O-CA 3.32Å; Y32-C35 WeakPolarHBondContact O-CA 3.42Å; Y32-C35 WeakPolarHBondContact O-CB 3.45Å; Y32-C35 PolarHBondContact O-N 2.03Å; Y32-C35 PolarHBondContact O-SG 2.86Å; Y32-C35 VanDerWaalsContact O-SG 3.36Å
33E94.2Very high90.2Very high86 Ų8679.5 Ų79.540%0.40242%0.42SS..THydrogen-bonded Turntrans-73134.8178.8-69.6-169.6171.300111.8R29 D30R29-E33 HydrophobicContact CB-CB 4.18Å; R29-E33 WeakPolarHBondContact CD-OE2 3.19Å; R29-E33 IonicContact CZ-OE2 2.75Å; R29-E33 PolarHBondContact N-O 2.95Å; R29-E33 IonicContact NE-OE2 4Å; R29-E33 IonicContact NH1-OE1 2.73Å; R29-E33 IonicContact NH1-OE2 3.72Å; R29-E33 PolarHBondContact NH1-OE2 3.27Å; D30-E33 PolarHBondContact OD1-N 3.43Å
34P94.2Very high91.8Very high48 Ų4880.6 Ų80.631%0.31240%0.404SS..THydrogen-bonded Turncis-94.61214.236.8-37.1000115.4L26 Q27 Y61L26-P34 HydrophobicContact CD1-CG 4.34Å; L26-P34 HydrophobicContact CD2-CG 4.13Å; L26-P34 HydrophobicContact CG-CG 4Å; Q27-P34 WeakPolarHBondContact O-CD 3.27Å; P34-Y61 HydrophobicContact CB-CD1 4.07Å; P34-Y61 HydrophobicContact CB-CE1 4.05Å; P34-Y61 HydrophobicContact CG-CD1 3.81Å; P34-Y61 HydrophobicContact CG-CE1 3.61Å
35C96.3Very high92.9Very high15 Ų1582.7 Ų82.710%0.10141%0.413CS..  trans-67143.5-179.1-43.10000111.2Y32 C41 C51Y32-C35 VanDerWaalsContact O-CA 3.32Å; Y32-C35 WeakPolarHBondContact O-CA 3.42Å; Y32-C35 WeakPolarHBondContact O-CB 3.45Å; Y32-C35 PolarHBondContact O-N 2.03Å; Y32-C35 PolarHBondContact O-SG 2.86Å; Y32-C35 VanDerWaalsContact O-SG 3.36Å; C35-C41 VanDerWaalsContact SG-CA 3.58Å; C35-C41 VanDerWaalsContact SG-CB 3.59Å; C35-C51 WeakPolarHBondContact CA-SG 3.32Å; C35-C51 HydrophobicContact CB-CB 3.69Å; C35-C51 WeakPolarHBondContact CB-SG 3.03Å; C35-C51 WeakPolarHBondContact SG-CA 3.04Å; C35-C51 WeakPolarHBondContact SG-CB 3.48Å; C35-C51 CovalentContact SG-SG 2.02Å; C35-C51 PolarHBondContact SG-SG 3.44Å
36V96.1Very high93.4Very high67 Ų6784.3 Ų84.341%0.40642%0.421SS..  trans-107.3176.9176.8-60.30000110.8K38 G39 Y61 Q63V36-K38 PolarHBondContact O-N 2.81Å; V36-K38 VanDerWaalsContact O-N 3.16Å; V36-G39 PolarHBondContact O-N 3.37Å; V36-Y61 VanDerWaalsContact CG2-O 3.29Å; V36-Y61 WeakPolarHBondContact CG2-O 3.44Å; V36-Y61 PolarHBondContact N-O 3.24Å; V36-Q63 VanDerWaalsContact CG2-CA 3.46Å; V36-Q63 HydrophobicContact CG2-CB 3.8Å
37N95.4Very high93.3Very high72 Ų7285.2 Ų85.239%0.38543%0.434SS..THydrogen-bonded Turntrans53.636.7177.1-61.8-46.1000114.5G39 P54 F57 C62N37-G39 PolarHBondContact O-N 3.02Å; N37-P54 WeakPolarHBondContact O-CG 3.45Å; N37-F57 HydrophobicContact CB-CD1 3.49Å; N37-F57 VanDerWaalsContact CB-CD1 3.49Å; N37-F57 HydrophobicContact CB-CD2 4.35Å; N37-F57 HydrophobicContact CB-CE1 3.42Å; N37-F57 VanDerWaalsContact CB-CE1 3.42Å; N37-F57 HydrophobicContact CB-CE2 4.28Å; N37-F57 HydrophobicContact CB-CG 3.96Å; N37-F57 HydrophobicContact CB-CZ 3.83Å; N37-F57 VanDerWaalsContact ND2-CD1 3.35Å; N37-F57 WeakPolarHBondContact ND2-CD1 3.24Å; N37-F57 VanDerWaalsContact ND2-CE1 3.32Å; N37-F57 WeakPolarHBondContact ND2-CE1 3.41Å; N37-C62 PolarHBondContact ND2-O 3.13Å
38K95.3Very high93.3Very high193 Ų19381.8 Ų81.884%0.83942%0.421SS*.THydrogen-bonded Turntrans6523.4-176.4-48.7173.8179.6176.70114V36V36-K38 PolarHBondContact O-N 2.81Å; V36-K38 VanDerWaalsContact O-N 3.16Å
39G96.1Very high93.3Very high1 Ų181.3 Ų81.31%0.0142%0.419CS..PPolyproline II helixtrans-61.1147.4167.200000111.7V36 N37 K52V36-G39 PolarHBondContact O-N 3.37Å; N37-G39 PolarHBondContact O-N 3.02Å; G39-K52 WeakPolarHBondContact CA-O 3Å
40M97.2Very high93.4Very high104 Ų10476.2 Ų76.251%0.51240%0.4SS..EExtended strand (participates in β ladder)trans-102.9127.5176.6179.4-177.5162.300109.1G31 V42 K52G31-M40 WeakPolarHBondContact O-CA 3.1Å; G31-M40 WeakPolarHBondContact O-CG 3.03Å; M40-V42 HydrophobicContact CE-CG2 4.22Å; M40-V42 HydrophobicContact CG-CG2 4.41Å; M40-K52 PolarHBondContact N-O 3.07Å; M40-K52 PolarHBondContact O-N 2.97Å
41C96.7Very high93.5Very high9 Ų973.1 Ų73.16%0.06139%0.385CS..EExtended strand (participates in β ladder)trans-83.4123.9176.1-1570000110C28 G31 C35C28-C41 WeakPolarHBondContact CA-SG 3.45Å; C28-C41 HydrophobicContact CB-CB 3.76Å; C28-C41 WeakPolarHBondContact CB-SG 3.38Å; C28-C41 VanDerWaalsContact SG-C 3.52Å; C28-C41 WeakPolarHBondContact SG-CB 3.29Å; C28-C41 CovalentContact SG-SG 2.03Å; C28-C41 PolarHBondContact SG-SG 3.22Å; G31-C41 PolarHBondContact O-N 3.25Å; C35-C41 VanDerWaalsContact SG-CA 3.58Å; C35-C41 VanDerWaalsContact SG-CB 3.59Å
42V95.6Very high93.7Very high39 Ų3977.5 Ų77.524%0.23639%0.393CS..EExtended strand (participates in β ladder)trans-117.3127.6-179.4-177.20000108.6M40 G49 Y50 K52M40-V42 HydrophobicContact CE-CG2 4.22Å; M40-V42 HydrophobicContact CG-CG2 4.41Å; V42-G49 CarbonylContact O-C 3.54Å; V42-G49 WeakPolarHBondContact O-CA 3.5Å; V42-Y50 HydrophobicContact CB-CD1 4.02Å; V42-Y50 HydrophobicContact CB-CE1 3.54Å; V42-Y50 HydrophobicContact CG1-CD1 4.41Å; V42-Y50 HydrophobicContact CG1-CE1 3.61Å; V42-Y50 HydrophobicContact CG2-CE1 4.41Å; V42-Y50 PolarHBondContact N-O 3.05Å; V42-Y50 PolarHBondContact O-N 3.36Å; V42-K52 HydrophobicContact CG2-CB 4.32Å
43T93.4Very high93.7Very high90 Ų9072 Ų7255%0.55238%0.377SS*.EExtended strand (participates in β ladder)trans-89.8139.117951.60000111.8C28 T48C28-T43 HydrophobicContact CB-CG2 3.7Å; T43-T48 CarbonylContact C-O 3.54Å; T43-T48 WeakPolarHBondContact CA-O 3.02Å
44Y91.8Very high93.7Very high123 Ų12370.2 Ų70.248%0.48237%0.372SS..  trans-82.5161.8166.8-67.1-74.5000110.8S46 G47 T48 Y50Y44-S46 WeakPolarHBondContact CB-OG 3.01Å; Y44-S46 PolarHBondContact O-N 3.41Å; Y44-S46 VanDerWaalsContact O-N 3.15Å; Y44-G47 PolarHBondContact O-N 3.41Å; Y44-T48 WeakPolarHBondContact CB-O 3.38Å; Y44-T48 PolarHBondContact N-O 3.39Å; Y44-Y50 HydrophobicContact CD2-CD1 4.25Å; Y44-Y50 HydrophobicContact CE1-CD1 4.06Å; Y44-Y50 HydrophobicContact CE1-CE1 4.19Å; Y44-Y50 AromaticContact CE2-CD1 3.51Å; Y44-Y50 HydrophobicContact CE2-CD1 3.51Å; Y44-Y50 HydrophobicContact CE2-CE1 4.41Å; Y44-Y50 HydrophobicContact CE2-CG 4.12Å; Y44-Y50 AromaticContact CZ-CD1 3.38Å; Y44-Y50 AromaticContact CZ-CE1 3.94Å; Y44-Y50 WeakPolarHBondContact OH-CD1 3.28Å
45H88.7Confident93.7Very high211 Ų21176.8 Ų76.898%0.97740%0.399SS*.THydrogen-bonded Turntrans-59.3-24.4173.6-68.8-62.5000113.9G47H45-G47 PolarHBondContact O-N 2.05Å
46S87.6Confident93.5Very high94 Ų9476.5 Ų76.566%0.65740%0.399SS*.THydrogen-bonded Turntrans-72.6-5.6175.846.50000114.2Y44 T48Y44-S46 WeakPolarHBondContact CB-OG 3.01Å; Y44-S46 PolarHBondContact O-N 3.41Å; Y44-S46 VanDerWaalsContact O-N 3.15Å; S46-T48 VanDerWaalsContact C-N 3.33Å; S46-T48 PolarHBondContact OG-OG1 3.44Å
47G85.6Confident93.5Very high34 Ų3475.3 Ų75.335%0.35139%0.388SS..SBendtrans93.9-27.8-175.600000113.7Q27 Y44 H45Q27-G47 PolarHBondContact NE2-O 2.98Å; Q27-G47 PolarHBondContact OE1-O 3.31Å; Y44-G47 PolarHBondContact O-N 3.41Å; H45-G47 PolarHBondContact O-N 2.05Å
48T90.3Very high93.4Very high40 Ų4073.7 Ų73.725%0.24538%0.379CS..  trans-64.7161.3174.658.50000111.5A25 L26 T43 Y44 S46A25-T48 HydrophobicContact CB-CG2 3.43Å; A25-T48 VanDerWaalsContact CB-CG2 3.43Å; L26-T48 CarbonylContact O-C 3.56Å; T43-T48 CarbonylContact C-O 3.54Å; T43-T48 WeakPolarHBondContact CA-O 3.02Å; Y44-T48 WeakPolarHBondContact CB-O 3.38Å; Y44-T48 PolarHBondContact N-O 3.39Å; S46-T48 VanDerWaalsContact C-N 3.33Å; S46-T48 PolarHBondContact OG-OG1 3.44Å
49G92.5Very high93.4Very high9 Ų965 Ų659%0.09334%0.344CS..EExtended strand (participates in β ladder)trans-127.3172.317700000113.7L26 V42L26-G49 VanDerWaalsContact CD2-C 3.46Å; L26-G49 WeakPolarHBondContact CD2-O 3.46Å; L26-G49 PolarHBondContact O-N 2.95Å; V42-G49 CarbonylContact O-C 3.54Å; V42-G49 WeakPolarHBondContact O-CA 3.5Å
50Y94Very high93.3Very high94 Ų9469.8 Ų69.837%0.36937%0.366SS..EExtended strand (participates in β ladder)trans-142.2154.816774.9-78.9000110V42 Y44 K52V42-Y50 HydrophobicContact CB-CD1 4.02Å; V42-Y50 HydrophobicContact CB-CE1 3.54Å; V42-Y50 HydrophobicContact CG1-CD1 4.41Å; V42-Y50 HydrophobicContact CG1-CE1 3.61Å; V42-Y50 HydrophobicContact CG2-CE1 4.41Å; V42-Y50 PolarHBondContact N-O 3.05Å; V42-Y50 PolarHBondContact O-N 3.36Å; Y44-Y50 HydrophobicContact CD2-CD1 4.25Å; Y44-Y50 HydrophobicContact CE1-CD1 4.06Å; Y44-Y50 HydrophobicContact CE1-CE1 4.19Å; Y44-Y50 AromaticContact CE2-CD1 3.51Å; Y44-Y50 HydrophobicContact CE2-CD1 3.51Å; Y44-Y50 HydrophobicContact CE2-CE1 4.41Å; Y44-Y50 HydrophobicContact CE2-CG 4.12Å; Y44-Y50 AromaticContact CZ-CD1 3.38Å; Y44-Y50 AromaticContact CZ-CE1 3.94Å; Y44-Y50 WeakPolarHBondContact OH-CD1 3.28Å; Y50-K52 HydrophobicContact CE2-CB 4.35Å
51C95.5Very high93.1Very high12 Ų1269 Ų698%0.08136%0.358CS..EExtended strand (participates in β ladder)trans-89.8121.9175.2-65.10000111.2C35 E60 C62C35-C51 WeakPolarHBondContact CA-SG 3.32Å; C35-C51 HydrophobicContact CB-CB 3.69Å; C35-C51 WeakPolarHBondContact CB-SG 3.03Å; C35-C51 WeakPolarHBondContact SG-CA 3.04Å; C35-C51 WeakPolarHBondContact SG-CB 3.48Å; C35-C51 CovalentContact SG-SG 2.02Å; C35-C51 PolarHBondContact SG-SG 3.44Å; C51-E60 VanDerWaalsContact CB-O 3.24Å; C51-E60 WeakPolarHBondContact CB-O 3.4Å; C51-E60 PolarHBondContact SG-O 3.48Å; C51-C62 VanDerWaalsContact CB-SG 3.59Å
52K96.1Very high93.1Very high131 Ų13168.6 Ų68.657%0.5736%0.355SS*.EExtended strand (participates in β ladder)trans-83.1113.3165.7-174.3-177.2-178.1-177.60108.7G39 M40 V42 Y50G39-K52 WeakPolarHBondContact CA-O 3Å; M40-K52 PolarHBondContact N-O 3.07Å; M40-K52 PolarHBondContact O-N 2.97Å; V42-K52 HydrophobicContact CG2-CB 4.32Å; Y50-K52 HydrophobicContact CE2-CB 4.35Å
53C95.3Very high93.1Very high40 Ų4070.3 Ų70.327%0.2736%0.361SS..PPolyproline II helixtrans-83.2142.3-177.5-53.40000112.4F57 C62C53-F57 HydrophobicContact CB-CB 4.23Å; C53-F57 WeakPolarHBondContact CB-O 3.5Å; C53-C62 WeakPolarHBondContact CA-SG 3.26Å; C53-C62 HydrophobicContact CB-CB 3.72Å; C53-C62 WeakPolarHBondContact CB-SG 3.34Å; C53-C62 PolarHBondContact N-SG 2.79Å; C53-C62 VanDerWaalsContact N-SG 3.44Å; C53-C62 WeakPolarHBondContact SG-CA 3.31Å; C53-C62 WeakPolarHBondContact SG-CB 3.3Å; C53-C62 CovalentContact SG-SG 2.04Å; C53-C62 PolarHBondContact SG-SG 2.9Å
54P95.1Very high93.2Very high48 Ų4868.4 Ų68.431%0.31235%0.346SS..PPolyproline II helixtrans-67.9164.3167.428.6-31.5000110.9N37 G56 F57N37-P54 WeakPolarHBondContact O-CG 3.45Å; P54-G56 PolarHBondContact O-N 3.29Å; P54-F57 HydrophobicContact CG-CB 4.36Å; P54-F57 HydrophobicContact CG-CD2 3.85Å; P54-F57 HydrophobicContact CG-CG 4.4Å; P54-F57 PolarHBondContact O-N 2.79Å; P54-F57 VanDerWaalsContact O-N 3.13Å
55E93.5Very high93.3Very high186 Ų18671.4 Ų71.487%0.86936%0.356SS*.THydrogen-bonded Turntrans-48.2136172.6-66.9-65.8148.800111F57E55-F57 VanDerWaalsContact C-N 3.34Å
56G92.8Very high93.5Very high9 Ų963.4 Ų63.49%0.09332%0.321CS..THydrogen-bonded Turntrans79.27.3-178.900000115.5P54 R65 D66 E69P54-G56 PolarHBondContact O-N 3.29Å; G56-R65 CarbonylContact O-C 3.57Å; G56-R65 WeakPolarHBondContact O-CA 3.38Å; G56-D66 PolarHBondContact O-N 2.76Å; G56-E69 WeakPolarHBondContact CA-OE2 3.42Å
57F95Very high93.7Very high42 Ų4260.4 Ų60.418%0.18430%0.299CS..EExtended strand (participates in β ladder)trans-129.5146175.4-67.9-88.8000112.9N37 C53 P54 E55 C62 H64 R65N37-F57 HydrophobicContact CB-CD1 3.49Å; N37-F57 VanDerWaalsContact CB-CD1 3.49Å; N37-F57 HydrophobicContact CB-CD2 4.35Å; N37-F57 HydrophobicContact CB-CE1 3.42Å; N37-F57 VanDerWaalsContact CB-CE1 3.42Å; N37-F57 HydrophobicContact CB-CE2 4.28Å; N37-F57 HydrophobicContact CB-CG 3.96Å; N37-F57 HydrophobicContact CB-CZ 3.83Å; N37-F57 VanDerWaalsContact ND2-CD1 3.35Å; N37-F57 WeakPolarHBondContact ND2-CD1 3.24Å; N37-F57 VanDerWaalsContact ND2-CE1 3.32Å; N37-F57 WeakPolarHBondContact ND2-CE1 3.41Å; C53-F57 HydrophobicContact CB-CB 4.23Å; C53-F57 WeakPolarHBondContact CB-O 3.5Å; P54-F57 HydrophobicContact CG-CB 4.36Å; P54-F57 HydrophobicContact CG-CD2 3.85Å; P54-F57 HydrophobicContact CG-CG 4.4Å; P54-F57 PolarHBondContact O-N 2.79Å; P54-F57 VanDerWaalsContact O-N 3.13Å; E55-F57 VanDerWaalsContact C-N 3.34Å; F57-C62 HydrophobicContact CB-CB 4.36Å; F57-H64 CarbonylContact C-O 3.59Å; F57-H64 VanDerWaalsContact CA-O 3.29Å; F57-H64 WeakPolarHBondContact CA-O 3.36Å; F57-R65 HydrophobicContact CD1-CG 4.24Å; F57-R65 HydrophobicContact CE1-CG 3.75Å; F57-R65 HydrophobicContact CZ-CG 4.34Å
58L94.4Very high94.1Very high38 Ų3860.2 Ų60.220%0.19929%0.292CS..EExtended strand (participates in β ladder)trans-141.7166.9-173.2-58.7172.6000111.8C62 Q63 H64 D66 A81 A83L58-C62 CarbonylContact O-C 3.53Å; L58-C62 WeakPolarHBondContact O-CA 3.06Å; L58-Q63 PolarHBondContact O-N 3.18Å; L58-H64 PolarHBondContact N-O 2.79Å; L58-H64 WeakPolarHBondContact O-CB 3.45Å; L58-H64 PolarHBondContact O-N 3.36Å; L58-D66 HydrophobicContact CD1-CB 3.96Å; L58-D66 HydrophobicContact CG-CB 4.13Å; L58-A81 HydrophobicContact CD1-CB 3.6Å; L58-A83 HydrophobicContact CB-CB 4.04Å; L58-A83 HydrophobicContact CD2-CB 4.28Å
59G93.8Very high94Very high10 Ų1064.4 Ų64.410%0.10331%0.309CS..SBendtrans100.5166.2176.600000113.1Y61 C62 A83G59-Y61 PolarHBondContact O-N 3.14Å; G59-Y61 VanDerWaalsContact O-N 3.11Å; G59-C62 PolarHBondContact O-N 3.09Å; G59-A83 WeakPolarHBondContact CA-O 3.35Å; G59-A83 PolarHBondContact N-O 2.98Å
60E93.7Very high93.6Very high102 Ų10272.3 Ų72.348%0.47734%0.341SS..THydrogen-bonded Turntrans-51.4-34.6-177.4-70.1-81.9107.900113.9C51 M84C51-E60 VanDerWaalsContact CB-O 3.24Å; C51-E60 WeakPolarHBondContact CB-O 3.4Å; C51-E60 PolarHBondContact SG-O 3.48Å; E60-M84 HydrophobicContact CG-CE 4.28Å; E60-M84 HydrophobicContact CG-SD 3.78Å; E60-M84 WeakPolarHBondContact OE1-CE 3.44Å
61Y94.7Very high93.1Very high88 Ų8875.7 Ų75.735%0.34537%0.365SS..THydrogen-bonded Turntrans-115.39.8-179.3-59.4-88.7000112.8L26 P34 V36 G59 Q63L26-Y61 HydrophobicContact CD1-CD1 3.57Å; L26-Y61 HydrophobicContact CD1-CE1 3.23Å; L26-Y61 HydrophobicContact CD1-CE2 4.41Å; L26-Y61 HydrophobicContact CD1-CG 4.3Å; L26-Y61 HydrophobicContact CG-CD1 4.46Å; L26-Y61 HydrophobicContact CG-CE1 3.79Å; P34-Y61 HydrophobicContact CB-CD1 4.07Å; P34-Y61 HydrophobicContact CB-CE1 4.05Å; P34-Y61 HydrophobicContact CG-CD1 3.81Å; P34-Y61 HydrophobicContact CG-CE1 3.61Å; V36-Y61 VanDerWaalsContact CG2-O 3.29Å; V36-Y61 WeakPolarHBondContact CG2-O 3.44Å; V36-Y61 PolarHBondContact N-O 3.24Å; G59-Y61 PolarHBondContact O-N 3.14Å; G59-Y61 VanDerWaalsContact O-N 3.11Å; Y61-Q63 PolarHBondContact O-N 3Å
62C95.7Very high92.9Very high0 Ų080.2 Ų80.20%038%0.381CS..SBendtrans62.527.7-171.8-46.40000114.3N37 C51 C53 F57 L58 G59N37-C62 PolarHBondContact ND2-O 3.13Å; C51-C62 VanDerWaalsContact CB-SG 3.59Å; C53-C62 WeakPolarHBondContact CA-SG 3.26Å; C53-C62 HydrophobicContact CB-CB 3.72Å; C53-C62 WeakPolarHBondContact CB-SG 3.34Å; C53-C62 PolarHBondContact N-SG 2.79Å; C53-C62 VanDerWaalsContact N-SG 3.44Å; C53-C62 WeakPolarHBondContact SG-CA 3.31Å; C53-C62 WeakPolarHBondContact SG-CB 3.3Å; C53-C62 CovalentContact SG-SG 2.04Å; C53-C62 PolarHBondContact SG-SG 2.9Å; F57-C62 HydrophobicContact CB-CB 4.36Å; L58-C62 CarbonylContact O-C 3.53Å; L58-C62 WeakPolarHBondContact O-CA 3.06Å; G59-C62 PolarHBondContact O-N 3.09Å
63Q95.5Very high92.9Very high76 Ų7674.9 Ų74.936%0.35536%0.359SS..  trans-77.6-21.3-174.872-82.32000114.1V36 L58 Y61V36-Q63 VanDerWaalsContact CG2-CA 3.46Å; V36-Q63 HydrophobicContact CG2-CB 3.8Å; L58-Q63 PolarHBondContact O-N 3.18Å; Y61-Q63 PolarHBondContact O-N 3Å
64H95.3Very high92.8Very high50 Ų5077.7 Ų77.723%0.23137%0.369CS..EExtended strand (participates in β ladder)trans-97.5135.7-179.4-54.2120.9000110.2F57 L58 A83 M84 G86F57-H64 CarbonylContact C-O 3.59Å; F57-H64 VanDerWaalsContact CA-O 3.29Å; F57-H64 WeakPolarHBondContact CA-O 3.36Å; L58-H64 PolarHBondContact N-O 2.79Å; L58-H64 WeakPolarHBondContact O-CB 3.45Å; L58-H64 PolarHBondContact O-N 3.36Å; H64-A83 PolarHBondContact ND1-O 2.04Å; H64-M84 PolarHBondContact CE1-O 3.36Å; H64-M84 VanDerWaalsContact CE1-O 3.28Å; H64-G86 VanDerWaalsContact CG-CA 3.44Å; H64-G86 PolarHBondContact ND1-N 3.45Å
65R93.8Very high92.7Very high185 Ų18579 Ų7970%0.69837%0.373SS*.EExtended strand (participates in β ladder)trans-69146.1161.3-75.6-179.4176-112.52.4109G56 F57 P67G56-R65 CarbonylContact O-C 3.57Å; G56-R65 WeakPolarHBondContact O-CA 3.38Å; F57-R65 HydrophobicContact CD1-CG 4.24Å; F57-R65 HydrophobicContact CE1-CG 3.75Å; F57-R65 HydrophobicContact CZ-CG 4.34Å; R65-P67 WeakPolarHBondContact O-CD 3.39Å; R65-P67 VanDerWaalsContact O-N 3.13Å
66D93.5Very high92.7Very high44 Ų4473.3 Ų73.324%0.23536%0.364CS..  trans-64.2111.4175.5-173.2-14000109.7G56 L58 C68 E69G56-D66 PolarHBondContact O-N 2.76Å; L58-D66 HydrophobicContact CD1-CB 3.96Å; L58-D66 HydrophobicContact CG-CB 4.13Å; D66-C68 PolarHBondContact O-N 3.07Å; D66-C68 VanDerWaalsContact O-N 3.14Å; D66-C68 WeakPolarHBondContact OD1-CB 3.47Å; D66-C68 PolarHBondContact OD1-N 3.45Å; D66-E69 HydrophobicContact CB-CB 4.32Å; D66-E69 PolarHBondContact O-N 2.8Å
67P92.2Very high92.8Very high30 Ų3073.6 Ų73.620%0.19537%0.368CS..THydrogen-bonded Turntrans-67.1-10.3179.827.9-33.3000113.7R65 A81 A88R65-P67 WeakPolarHBondContact O-CD 3.39Å; R65-P67 VanDerWaalsContact O-N 3.13Å; P67-A81 HydrophobicContact CG-CB 4.12Å; P67-A88 HydrophobicContact CB-CB 3.79Å; P67-A88 HydrophobicContact CG-CB 3.67Å
68C93.8Very high92.8Very high31 Ų3174.8 Ų74.821%0.20938%0.378CS..THydrogen-bonded Turntrans-96.2-6.4177.8-67.10000114.4D66 K70 C79 A81D66-C68 PolarHBondContact O-N 3.07Å; D66-C68 VanDerWaalsContact O-N 3.14Å; D66-C68 WeakPolarHBondContact OD1-CB 3.47Å; D66-C68 PolarHBondContact OD1-N 3.45Å; C68-K70 VanDerWaalsContact C-N 3.25Å; C68-K70 PolarHBondContact O-N 2.86Å; C68-C79 WeakPolarHBondContact CA-SG 3.17Å; C68-C79 HydrophobicContact CB-CB 3.66Å; C68-C79 WeakPolarHBondContact CB-SG 3.32Å; C68-C79 WeakPolarHBondContact SG-CB 3.27Å; C68-C79 CovalentContact SG-SG 2.04Å; C68-C79 PolarHBondContact SG-SG 3.23Å; C68-A81 PolarHBondContact SG-N 3.47Å
69E88.2Confident92.9Very high128 Ų12874.7 Ų74.760%0.59838%0.38SS*.SBendtrans-67.3-29.3179.4-166.5175.5-170.100112G56 D66G56-E69 WeakPolarHBondContact CA-OE2 3.42Å; D66-E69 HydrophobicContact CB-CB 4.32Å; D66-E69 PolarHBondContact O-N 2.8Å
70K84Confident92.9Very high175 Ų17578.3 Ų78.376%0.76140%0.4SS*.SBendtrans-89.4136.2168.5-166.4172-177.6178.70108.2C68 R72C68-K70 VanDerWaalsContact C-N 3.25Å; C68-K70 PolarHBondContact O-N 2.86Å; K70-R72 WeakPolarHBondContact O-CB 3.01Å; K70-R72 PolarHBondContact O-N 2.81Å
71N83.7Confident92.9Very high165 Ų16575.1 Ų75.188%0.88239%0.391SS*.  trans-54.873.8172.1-75-27.7000111.8
72R91.8Very high92.9Very high107 Ų10775.8 Ų75.840%0.40440%0.397SS..  trans-78.2-46.2-172174.2174.4173.2113.615.4110.4K70 D100K70-R72 WeakPolarHBondContact O-CB 3.01Å; K70-R72 PolarHBondContact O-N 2.81Å; R72-D100 IonicContact CZ-OD1 3.83Å; R72-D100 IonicContact NE-OD1 3.52Å; R72-D100 PolarHBondContact NE-OD1 2.97Å; R72-D100 IonicContact NH2-OD1 3.01Å; R72-D100 PolarHBondContact NH2-OD1 3.41Å; R72-D100 IonicContact NH2-OD2 3.72Å
73C94.9Very high92.5Very high18 Ų1877.6 Ų77.612%0.12241%0.412CS..SBendtrans-78.6127.3179.4-49.60000110G77 C79 C90C73-G77 WeakPolarHBondContact CB-O 3.38Å; C73-C79 WeakPolarHBondContact SG-CA 3.42Å; C73-C79 WeakPolarHBondContact SG-CB 3.33Å; C73-C90 WeakPolarHBondContact CA-SG 3.47Å; C73-C90 HydrophobicContact CB-CB 3.76Å; C73-C90 WeakPolarHBondContact CB-SG 3.35Å; C73-C90 VanDerWaalsContact SG-CA 3.51Å; C73-C90 WeakPolarHBondContact SG-CB 3.27Å; C73-C90 CovalentContact SG-SG 2.03Å; C73-C90 PolarHBondContact SG-SG 2.74Å
74Q94Very high92.2Very high100 Ų10079.2 Ų79.247%0.46742%0.421SS..  trans-86.1170.4178.5-56.8-177.41600110.9G76 G77 D100 C101 Q102Q74-G76 VanDerWaalsContact C-N 3.25Å; Q74-G76 PolarHBondContact O-N 2.04Å; Q74-G76 VanDerWaalsContact O-N 3.09Å; Q74-G77 PolarHBondContact O-N 2.04Å; Q74-D100 WeakPolarHBondContact CB-O 3.12Å; Q74-D100 PolarHBondContact N-O 3.24Å; Q74-C101 WeakPolarHBondContact O-CB 3.25Å; Q74-Q102 VanDerWaalsContact OE1-CB 3.25Å
75N93.4Very high92Very high74 Ų7481 Ų8140%0.39643%0.432SS..THydrogen-bonded Turntrans51.338.7169.7-58.9-50.9000115G77 F96 C101N75-G77 VanDerWaalsContact C-N 3.34Å; N75-G77 PolarHBondContact O-N 2.81Å; N75-F96 HydrophobicContact CB-CB 4.4Å; N75-F96 HydrophobicContact CB-CD1 3.39Å; N75-F96 HydrophobicContact CB-CD2 3.82Å; N75-F96 HydrophobicContact CB-CE1 3.42Å; N75-F96 VanDerWaalsContact CB-CE1 3.42Å; N75-F96 HydrophobicContact CB-CE2 3.85Å; N75-F96 HydrophobicContact CB-CG 3.59Å; N75-F96 HydrophobicContact CB-CZ 3.65Å; N75-F96 VanDerWaalsContact CG-CD1 3.45Å; N75-F96 WeakPolarHBondContact ND2-CD1 3.38Å; N75-F96 WeakPolarHBondContact ND2-CE1 3.36Å; N75-C101 PolarHBondContact ND2-O 2.77Å
76G92.3Very high91.9Very high67 Ų6773.3 Ų73.369%0.69141%0.41SS*.THydrogen-bonded Turntrans75.517.7178.600000114.9Q74Q74-G76 VanDerWaalsContact C-N 3.25Å; Q74-G76 PolarHBondContact O-N 2.04Å; Q74-G76 VanDerWaalsContact O-N 3.09Å
77G95Very high91.9Very high16 Ų1677.6 Ų77.617%0.16543%0.427CS..PPolyproline II helixtrans-64.3144.5173.700000113C73 Q74 N75 R91C73-G77 WeakPolarHBondContact CB-O 3.38Å; Q74-G77 PolarHBondContact O-N 2.04Å; N75-G77 VanDerWaalsContact C-N 3.34Å; N75-G77 PolarHBondContact O-N 2.81Å; G77-R91 CarbonylContact C-O 3.47Å; G77-R91 VanDerWaalsContact CA-O 3.32Å; G77-R91 WeakPolarHBondContact CA-O 3.02Å
78T95.8Very high91.9Very high67 Ų6777 Ų7741%0.41142%0.424SS..EExtended strand (participates in β ladder)trans-90.3122.2173.8-46.20000110R91T78-R91 PolarHBondContact N-O 3.22Å; T78-R91 PolarHBondContact O-N 3.4Å
79C95.6Very high92Very high35 Ų3579.9 Ų79.924%0.23644%0.441CS..EExtended strand (participates in β ladder)trans-82.5131.9176.2-168.50000111.2C68 C73C68-C79 WeakPolarHBondContact CA-SG 3.17Å; C68-C79 HydrophobicContact CB-CB 3.66Å; C68-C79 WeakPolarHBondContact CB-SG 3.32Å; C68-C79 WeakPolarHBondContact SG-CB 3.27Å; C68-C79 CovalentContact SG-SG 2.04Å; C68-C79 PolarHBondContact SG-SG 3.23Å; C73-C79 WeakPolarHBondContact SG-CA 3.42Å; C73-C79 WeakPolarHBondContact SG-CB 3.33Å
80V94.8Very high92.4Very high86 Ų8674.4 Ų74.452%0.52142%0.417SS..EExtended strand (participates in β ladder)trans-120.4112.3174.6-176.80000108.5A88 T89V80-A88 CarbonylContact O-C 3.52Å; V80-A88 VanDerWaalsContact O-CA 3.31Å; V80-A88 WeakPolarHBondContact O-CA 3.2Å; V80-T89 PolarHBondContact N-O 3.26Å; V80-T89 PolarHBondContact O-N 2.72Å
81A93.6Very high92.9Very high35 Ų3574.3 Ų74.329%0.28941%0.412SS..EExtended strand (participates in β ladder)trans-82.6135.417800000111.4L58 P67 C68L58-A81 HydrophobicContact CD1-CB 3.6Å; P67-A81 HydrophobicContact CG-CB 4.12Å; C68-A81 PolarHBondContact SG-N 3.47Å
82Q93.4Very high93.4Very high102 Ų10268.4 Ų68.448%0.47738%0.383SS..EExtended strand (participates in β ladder)trans-99.590.5172.6-161.1177.3-26.100108.8M84 L85 G86 K87Q82-M84 VanDerWaalsContact C-N 3.3Å; Q82-M84 PolarHBondContact O-N 3.14Å; Q82-M84 VanDerWaalsContact O-N 3.13Å; Q82-L85 HydrophobicContact CG-CD1 4.49Å; Q82-L85 PolarHBondContact O-N 3.17Å; Q82-G86 PolarHBondContact O-N 3.03Å; Q82-G86 VanDerWaalsContact O-N 3.11Å; Q82-K87 PolarHBondContact N-O 3.19Å
83A88.2Confident93.5Very high38 Ų3865.1 Ų65.131%0.31438%0.379SS..THydrogen-bonded Turntrans-50.8-43.2-166.300000114.6L58 G59 H64 L85 G86L58-A83 HydrophobicContact CB-CB 4.04Å; L58-A83 HydrophobicContact CD2-CB 4.28Å; G59-A83 WeakPolarHBondContact CA-O 3.35Å; G59-A83 PolarHBondContact N-O 2.98Å; H64-A83 PolarHBondContact ND1-O 2.04Å; A83-L85 VanDerWaalsContact C-N 3.34Å; A83-L85 PolarHBondContact O-N 3.16Å; A83-G86 PolarHBondContact O-N 3.32Å
84M89.2Confident93.3Very high111 Ų11170.2 Ų70.255%0.54741%0.414SS..THydrogen-bonded Turntrans-71-26.2-176.4-55.6-46-170.200114.1E60 H64 Q82E60-M84 HydrophobicContact CG-CE 4.28Å; E60-M84 HydrophobicContact CG-SD 3.78Å; E60-M84 WeakPolarHBondContact OE1-CE 3.44Å; H64-M84 PolarHBondContact CE1-O 3.36Å; H64-M84 VanDerWaalsContact CE1-O 3.28Å; Q82-M84 VanDerWaalsContact C-N 3.3Å; Q82-M84 PolarHBondContact O-N 3.14Å; Q82-M84 VanDerWaalsContact O-N 3.13Å
85L91.2Very high93.1Very high88 Ų8867.2 Ų67.246%0.46141%0.41SS..THydrogen-bonded Turntrans-97.9-14-179.8-67-174.7000113.2Q82 A83 K87Q82-L85 HydrophobicContact CG-CD1 4.49Å; Q82-L85 PolarHBondContact O-N 3.17Å; A83-L85 VanDerWaalsContact C-N 3.34Å; A83-L85 PolarHBondContact O-N 3.16Å; L85-K87 HydrophobicContact CB-CB 4.18Å; L85-K87 HydrophobicContact CB-CD 4.23Å; L85-K87 HydrophobicContact CB-CG 4.05Å; L85-K87 HydrophobicContact CD1-CD 4.3Å; L85-K87 PolarHBondContact O-N 3.47Å
86G90.5Very high93Very high23 Ų2366.5 Ų66.524%0.23740%0.404CS..THydrogen-bonded Turntrans62.824.6-169.500000113.2H64 Q82 A83H64-G86 VanDerWaalsContact CG-CA 3.44Å; H64-G86 PolarHBondContact ND1-N 3.45Å; Q82-G86 PolarHBondContact O-N 3.03Å; Q82-G86 VanDerWaalsContact O-N 3.11Å; A83-G86 PolarHBondContact O-N 3.32Å
87K93.6Very high92.9Very high133 Ų13364.2 Ų64.258%0.57838%0.377SS*.EExtended strand (participates in β ladder)trans-108157.3179.3-67.5-177.9-178-179.40110.1Q82 L85Q82-K87 PolarHBondContact N-O 3.19Å; L85-K87 HydrophobicContact CB-CB 4.18Å; L85-K87 HydrophobicContact CB-CD 4.23Å; L85-K87 HydrophobicContact CB-CG 4.05Å; L85-K87 HydrophobicContact CD1-CD 4.3Å; L85-K87 PolarHBondContact O-N 3.47Å
88A93.5Very high92.6Very high17 Ų1763.7 Ų63.714%0.1437%0.371CS..EExtended strand (participates in β ladder)trans-123.8156.8170.500000110.6P67 V80P67-A88 HydrophobicContact CB-CB 3.79Å; P67-A88 HydrophobicContact CG-CB 3.67Å; V80-A88 CarbonylContact O-C 3.52Å; V80-A88 VanDerWaalsContact O-CA 3.31Å; V80-A88 WeakPolarHBondContact O-CA 3.2Å
89T95.5Very high92.4Very high92 Ų9267.3 Ų67.356%0.56438%0.383SS*.EExtended strand (participates in β ladder)trans-128.9137.7168.4-55.10000108.9V80V80-T89 PolarHBondContact N-O 3.26Å; V80-T89 PolarHBondContact O-N 2.72Å
90C95.5Very high92.3Very high14 Ų1467.6 Ų67.610%0.09538%0.382CS..EExtended strand (participates in β ladder)trans-92131.4176.5-65.50000111.1C73 E99C73-C90 WeakPolarHBondContact CA-SG 3.47Å; C73-C90 HydrophobicContact CB-CB 3.76Å; C73-C90 WeakPolarHBondContact CB-SG 3.35Å; C73-C90 VanDerWaalsContact SG-CA 3.51Å; C73-C90 WeakPolarHBondContact SG-CB 3.27Å; C73-C90 CovalentContact SG-SG 2.03Å; C73-C90 PolarHBondContact SG-SG 2.74Å; C90-E99 VanDerWaalsContact CB-O 3.29Å; C90-E99 WeakPolarHBondContact CB-O 3.01Å
91R95.5Very high92.2Very high172 Ų17263.5 Ų63.565%0.64936%0.357SS*.EExtended strand (participates in β ladder)trans-95.5112.5164.6-174.3178.366.2172-0.3108.9G77 T78G77-R91 CarbonylContact C-O 3.47Å; G77-R91 VanDerWaalsContact CA-O 3.32Å; G77-R91 WeakPolarHBondContact CA-O 3.02Å; T78-R91 PolarHBondContact N-O 3.22Å; T78-R91 PolarHBondContact O-N 3.4Å
92C93.2Very high92.1Very high42 Ų4264.5 Ų64.528%0.28436%0.356SS..PPolyproline II helixtrans-76.8146.6-173.5-54.50000113.4F96 C101C92-F96 HydrophobicContact CB-CB 4.32Å; C92-F96 WeakPolarHBondContact CB-O 2.93Å; C92-C101 WeakPolarHBondContact CA-SG 3.37Å; C92-C101 HydrophobicContact CB-CB 3.73Å; C92-C101 WeakPolarHBondContact CB-SG 3Å; C92-C101 PolarHBondContact N-SG 2.94Å; C92-C101 WeakPolarHBondContact SG-CA 3.01Å; C92-C101 WeakPolarHBondContact SG-CB 3.33Å; C92-C101 CovalentContact SG-SG 2.04Å; C92-C101 PolarHBondContact SG-SG 3.28Å
93A94Very high91.9Very high38 Ų3864.1 Ų64.131%0.31435%0.351SS..PPolyproline II helixtrans-67.2160.6168.700000110.8G95 F96A93-G95 PolarHBondContact O-N 3.45Å; A93-F96 HydrophobicContact CB-CD2 4.36Å; A93-F96 PolarHBondContact O-N 3.03Å; A93-F96 VanDerWaalsContact O-N 3.15Å
94S91.7Very high92Very high124 Ų12466 Ų6687%0.86736%0.362SS*.THydrogen-bonded Turntrans-53.6131.3175.8-58.20000110.9
95G90Very high91.8Very high37 Ų3763.8 Ų63.838%0.38136%0.355SS..THydrogen-bonded Turntrans91.20.918000000115.1A93 S104 T105A93-G95 PolarHBondContact O-N 3.45Å; G95-S104 CarbonylContact O-C 3.45Å; G95-S104 WeakPolarHBondContact O-CA 2.99Å; G95-T105 VanDerWaalsContact C-OG1 3.24Å; G95-T105 WeakPolarHBondContact CA-OG1 3.04Å; G95-T105 PolarHBondContact O-N 2.78Å; G95-T105 PolarHBondContact O-OG1 3.16Å
96F91.9Very high91.4Very high59 Ų5963.4 Ų63.426%0.25936%0.357SS..EExtended strand (participates in β ladder)trans-127.5154.7-179.5-63.2-83.6000113.1N75 C92 A93 C101 Y103N75-F96 HydrophobicContact CB-CB 4.4Å; N75-F96 HydrophobicContact CB-CD1 3.39Å; N75-F96 HydrophobicContact CB-CD2 3.82Å; N75-F96 HydrophobicContact CB-CE1 3.42Å; N75-F96 VanDerWaalsContact CB-CE1 3.42Å; N75-F96 HydrophobicContact CB-CE2 3.85Å; N75-F96 HydrophobicContact CB-CG 3.59Å; N75-F96 HydrophobicContact CB-CZ 3.65Å; N75-F96 VanDerWaalsContact CG-CD1 3.45Å; N75-F96 WeakPolarHBondContact ND2-CD1 3.38Å; N75-F96 WeakPolarHBondContact ND2-CE1 3.36Å; C92-F96 HydrophobicContact CB-CB 4.32Å; C92-F96 WeakPolarHBondContact CB-O 2.93Å; A93-F96 HydrophobicContact CB-CD2 4.36Å; A93-F96 PolarHBondContact O-N 3.03Å; A93-F96 VanDerWaalsContact O-N 3.15Å; F96-C101 HydrophobicContact CB-CB 4.49Å; F96-Y103 CarbonylContact C-O 3.32Å; F96-Y103 WeakPolarHBondContact CA-O 3.38Å
97T90.1Very high91.2Very high20 Ų2063.4 Ų63.412%0.12335%0.351CS..EExtended strand (participates in β ladder)trans-154.2172.3-177.1-149.70000110.9C101 Q102 Y103 T105 H107 F110T97-C101 CarbonylContact O-C 3.53Å; T97-C101 VanDerWaalsContact O-C 3.3Å; T97-C101 WeakPolarHBondContact O-CA 3.4Å; T97-Q102 PolarHBondContact O-N 3.42Å; T97-Y103 PolarHBondContact N-O 2.81Å; T97-Y103 PolarHBondContact O-N 3.26Å; T97-T105 HydrophobicContact CG2-CG2 3.99Å; T97-H107 HydrophobicContact CG2-CB 3.69Å; T97-F110 HydrophobicContact CG2-CB 3.9Å; T97-F110 HydrophobicContact CG2-CD1 3.79Å; T97-F110 HydrophobicContact CG2-CG 4.05Å; T97-F110 WeakPolarHBondContact OG1-CD1 3.37Å; T97-F110 WeakPolarHBondContact OG1-CE1 3.42Å
98G88.7Confident90.8Very high4 Ų457.9 Ų57.94%0.04133%0.329CS..SBendtrans108.5159.6-168.500000112.9D100 C101 F110G98-D100 PolarHBondContact O-N 2.98Å; G98-C101 PolarHBondContact O-N 3.06Å; G98-F110 VanDerWaalsContact C-CZ 3.46Å; G98-F110 VanDerWaalsContact CA-CZ 3.45Å; G98-F110 VanDerWaalsContact N-CE1 3.3Å
99E91Very high90.7Very high144 Ų14458 Ų5867%0.67333%0.329SS*.THydrogen-bonded Turntrans-62.2-32.6176.7-68.2-171.3162.800112.7C90 F110C90-E99 VanDerWaalsContact CB-O 3.29Å; C90-E99 WeakPolarHBondContact CB-O 3.01Å; E99-F110 HydrophobicContact CG-CE2 4.44Å
100D92.9Very high90.2Very high40 Ų4057 Ų5721%0.21432%0.317CS..THydrogen-bonded Turntrans-112.218176.5-59.4-44.1000111.1R72 Q74 G98 Q102R72-D100 IonicContact CZ-OD1 3.83Å; R72-D100 IonicContact NE-OD1 3.52Å; R72-D100 PolarHBondContact NE-OD1 2.97Å; R72-D100 IonicContact NH2-OD1 3.01Å; R72-D100 PolarHBondContact NH2-OD1 3.41Å; R72-D100 IonicContact NH2-OD2 3.72Å; Q74-D100 WeakPolarHBondContact CB-O 3.12Å; Q74-D100 PolarHBondContact N-O 3.24Å; G98-D100 PolarHBondContact O-N 2.98Å; D100-Q102 PolarHBondContact O-N 3.08Å
101C93.2Very high89.7Confident0 Ų061 Ų610%034%0.34CS..SBendtrans58.728.7-179.4-51.50000115.1Q74 N75 C92 F96 T97 G98Q74-C101 WeakPolarHBondContact O-CB 3.25Å; N75-C101 PolarHBondContact ND2-O 2.77Å; C92-C101 WeakPolarHBondContact CA-SG 3.37Å; C92-C101 HydrophobicContact CB-CB 3.73Å; C92-C101 WeakPolarHBondContact CB-SG 3Å; C92-C101 PolarHBondContact N-SG 2.94Å; C92-C101 WeakPolarHBondContact SG-CA 3.01Å; C92-C101 WeakPolarHBondContact SG-CB 3.33Å; C92-C101 CovalentContact SG-SG 2.04Å; C92-C101 PolarHBondContact SG-SG 3.28Å; F96-C101 HydrophobicContact CB-CB 4.49Å; T97-C101 CarbonylContact O-C 3.53Å; T97-C101 VanDerWaalsContact O-C 3.3Å; T97-C101 WeakPolarHBondContact O-CA 3.4Å; G98-C101 PolarHBondContact O-N 3.06Å
102Q91.3Very high89.3Confident56 Ų5656.4 Ų56.426%0.26234%0.335SS..  trans-77.3-19.2-17368.9-88.632.700114.6Q74 T97 D100Q74-Q102 VanDerWaalsContact OE1-CB 3.25Å; T97-Q102 PolarHBondContact O-N 3.42Å; D100-Q102 PolarHBondContact O-N 3.08Å
103Y89.4Confident89.1Confident94 Ų9463.1 Ų63.137%0.36935%0.354SS..EExtended strand (participates in β ladder)trans-104.5136-173.6-54-58.8000111.7F96 T97 H107F96-Y103 CarbonylContact C-O 3.32Å; F96-Y103 WeakPolarHBondContact CA-O 3.38Å; T97-Y103 PolarHBondContact N-O 2.81Å; T97-Y103 PolarHBondContact O-N 3.26Å; Y103-H107 AromaticContact CD1-CE1 3.53Å; Y103-H107 AromaticContact CD1-ND1 3.99Å; Y103-H107 AromaticContact CG-CE1 3.67Å; Y103-H107 AromaticContact CG-ND1 3.83Å; Y103-H107 AromaticContact CG-NE2 3.9Å
104S89.9Confident89.2Confident78 Ų7861.8 Ų61.855%0.54534%0.342SS..EExtended strand (participates in β ladder)trans-74.6143.9167.7-57.90000111.5G95G95-S104 CarbonylContact O-C 3.45Å; G95-S104 WeakPolarHBondContact O-CA 2.99Å
105T85.4Confident89.4Confident65 Ų6556.9 Ų56.940%0.39931%0.308SS..SBendtrans-89150.6176.158.80000112.5G95 T97G95-T105 VanDerWaalsContact C-OG1 3.24Å; G95-T105 WeakPolarHBondContact CA-OG1 3.04Å; G95-T105 PolarHBondContact O-N 2.78Å; G95-T105 PolarHBondContact O-OG1 3.16Å; T97-T105 HydrophobicContact CG2-CG2 3.99Å
106P83.3Confident89.7Confident79 Ų7958.9 Ų58.951%0.51331%0.309SS..PPolyproline II helixcis-72.9136.2-3.930.3-33.5000111.3
107H84.8Confident89.8Confident23 Ų2359.7 Ų59.711%0.10632%0.316CS..  trans-121.694.2173.1-167.591.5000108.3T97 Y103 C109 F110 V111 M123T97-H107 HydrophobicContact CG2-CB 3.69Å; Y103-H107 AromaticContact CD1-CE1 3.53Å; Y103-H107 AromaticContact CD1-ND1 3.99Å; Y103-H107 AromaticContact CG-CE1 3.67Å; Y103-H107 AromaticContact CG-ND1 3.83Å; Y103-H107 AromaticContact CG-NE2 3.9Å; H107-C109 VanDerWaalsContact C-N 3.26Å; H107-C109 PolarHBondContact O-N 3.33Å; H107-C109 VanDerWaalsContact O-N 3.15Å; H107-F110 PolarHBondContact O-N 2.82Å; H107-V111 WeakPolarHBondContact O-CG2 3.33Å; H107-V111 PolarHBondContact O-N 3.32Å; H107-M123 WeakPolarHBondContact CE1-CG 3.32Å
108P86.6Confident90Very high18 Ų1861.4 Ų61.412%0.11734%0.337CS..Hα-helixtrans-45.1-46.9-177.1-30.531.4000113.7F110 S112 R113 M123 R126 Y129P108-F110 PolarHBondContact O-N 3.42Å; P108-F110 VanDerWaalsContact O-N 3.11Å; P108-S112 PolarHBondContact O-N 3.16Å; P108-S112 PolarHBondContact O-OG 2.76Å; P108-R113 PolarHBondContact O-N 3.49Å; P108-M123 HydrophobicContact CB-SD 4.33Å; P108-M123 HydrophobicContact CG-CE 4.41Å; P108-M123 HydrophobicContact CG-SD 4.17Å; P108-R126 WeakPolarHBondContact CD-O 3.37Å; P108-Y129 HydrophobicContact CB-CD1 3.94Å
109C91Very high90.4Very high20 Ų2061.9 Ų61.914%0.13534%0.343CS..Hα-helixtrans-60.5-26.6-176.8-69.90000115.3H107 R113 C121 M123H107-C109 VanDerWaalsContact C-N 3.26Å; H107-C109 PolarHBondContact O-N 3.33Å; H107-C109 VanDerWaalsContact O-N 3.15Å; C109-R113 WeakPolarHBondContact O-CA 3.48Å; C109-C121 WeakPolarHBondContact CA-SG 3.47Å; C109-C121 HydrophobicContact CB-CB 3.55Å; C109-C121 WeakPolarHBondContact CB-SG 3.4Å; C109-C121 VanDerWaalsContact SG-C 3.57Å; C109-C121 WeakPolarHBondContact SG-CB 3.3Å; C109-C121 CovalentContact SG-SG 2.03Å; C109-C121 PolarHBondContact SG-SG 3.02Å; C109-M123 HydrophobicContact CB-SD 4.43Å
110F85.3Confident90.7Very high70 Ų7058.7 Ų58.731%0.30733%0.333SS..Hα-helixtrans-105.6-36.1-177.7-168.9-85.7000112T97 G98 E99 H107 P108 R113T97-F110 HydrophobicContact CG2-CB 3.9Å; T97-F110 HydrophobicContact CG2-CD1 3.79Å; T97-F110 HydrophobicContact CG2-CG 4.05Å; T97-F110 WeakPolarHBondContact OG1-CD1 3.37Å; T97-F110 WeakPolarHBondContact OG1-CE1 3.42Å; G98-F110 VanDerWaalsContact C-CZ 3.46Å; G98-F110 VanDerWaalsContact CA-CZ 3.45Å; G98-F110 VanDerWaalsContact N-CE1 3.3Å; E99-F110 HydrophobicContact CG-CE2 4.44Å; H107-F110 PolarHBondContact O-N 2.82Å; P108-F110 PolarHBondContact O-N 3.42Å; P108-F110 VanDerWaalsContact O-N 3.11Å; F110-R113 WeakPolarHBondContact O-CG 3.31Å
111V83.9Confident90.7Very high97 Ų9758.4 Ų58.459%0.58833%0.334SS*.Hα-helixtrans-72.3-50.2-180178.20000111H107H107-V111 WeakPolarHBondContact O-CG2 3.33Å; H107-V111 PolarHBondContact O-N 3.32Å
112S87.1Confident90.8Very high76 Ų7662.2 Ų62.253%0.53135%0.352SS..THydrogen-bonded Turntrans-95.9-20.1-179.260.20000113.7P108 P114P108-S112 PolarHBondContact O-N 3.16Å; P108-S112 PolarHBondContact O-OG 2.76Å; S112-P114 WeakPolarHBondContact OG-CD 3.07Å
113R90.5Very high90.6Very high184 Ų18462.5 Ų62.569%0.69435%0.354SS*.  trans46.458.1-174.5-56.2-179.573.5139.93.6111.1P108 C109 F110 C115P108-R113 PolarHBondContact O-N 3.49Å; C109-R113 WeakPolarHBondContact O-CA 3.48Å; F110-R113 WeakPolarHBondContact O-CG 3.31Å; R113-C115 VanDerWaalsContact C-N 3.32Å; R113-C115 PolarHBondContact O-N 2.04Å
114P94.4Very high90.6Very high10 Ų1063.4 Ų63.47%0.06536%0.364CS..  trans-70.7-26.3-16328.9-34.8000113.5S112 L116 Y129 E141S112-P114 WeakPolarHBondContact OG-CD 3.07Å; P114-L116 PolarHBondContact O-N 3.31Å; P114-Y129 HydrophobicContact CB-CD1 4.46Å; P114-Y129 HydrophobicContact CB-CD2 4.23Å; P114-Y129 HydrophobicContact CB-CE1 3.86Å; P114-Y129 HydrophobicContact CB-CE2 3.64Å; P114-Y129 VanDerWaalsContact CB-CZ 3.43Å; P114-Y129 HydrophobicContact CG-CD1 3.93Å; P114-Y129 HydrophobicContact CG-CD2 3.59Å; P114-Y129 HydrophobicContact CG-CE1 3.84Å; P114-Y129 HydrophobicContact CG-CE2 3.54Å; P114-Y129 HydrophobicContact CG-CG 3.83Å; P114-E141 HydrophobicContact CB-CG 4.43Å; P114-E141 WeakPolarHBondContact O-CB 3.37Å
115C96.4Very high90.4Very high20 Ų2062.5 Ų62.514%0.13536%0.358CS..  trans-79.1119.3-177.4-47.30000111.2R113 G119 C121 C131R113-C115 VanDerWaalsContact C-N 3.32Å; R113-C115 PolarHBondContact O-N 2.04Å; C115-G119 WeakPolarHBondContact CB-O 3.43Å; C115-C121 WeakPolarHBondContact SG-CA 3.21Å; C115-C121 WeakPolarHBondContact SG-CB 3.39Å; C115-C131 WeakPolarHBondContact CA-SG 3.01Å; C115-C131 HydrophobicContact CB-CB 3.8Å; C115-C131 WeakPolarHBondContact CB-SG 3.39Å; C115-C131 VanDerWaalsContact SG-CA 3.51Å; C115-C131 WeakPolarHBondContact SG-CB 3.02Å; C115-C131 CovalentContact SG-SG 2.03Å; C115-C131 PolarHBondContact SG-SG 3.01Å
116L95.7Very high90.2Very high80 Ų8069.2 Ų69.242%0.41938%0.376SS..  trans-91.2174179.2-56.9-177.5000111.6P114 G118 G119 E141 C142 Q143P114-L116 PolarHBondContact O-N 3.31Å; L116-G118 PolarHBondContact O-N 3.09Å; L116-G118 VanDerWaalsContact O-N 3.08Å; L116-G119 PolarHBondContact O-N 3.44Å; L116-E141 WeakPolarHBondContact CB-O 3.32Å; L116-E141 PolarHBondContact N-O 2.61Å; L116-C142 WeakPolarHBondContact O-CB 3.34Å; L116-Q143 HydrophobicContact CD1-CB 3.72Å
117N95.3Very high90.2Very high76 Ų7670.9 Ų70.941%0.40638%0.381SS..THydrogen-bonded Turntrans52.335172.9-61-49.8000114.7G119 F137 C142N117-G119 VanDerWaalsContact C-N 3.29Å; N117-G119 PolarHBondContact O-N 3.12Å; N117-F137 HydrophobicContact CB-CD1 3.48Å; N117-F137 VanDerWaalsContact CB-CD1 3.48Å; N117-F137 HydrophobicContact CB-CD2 3.94Å; N117-F137 HydrophobicContact CB-CE1 3.48Å; N117-F137 VanDerWaalsContact CB-CE1 3.48Å; N117-F137 HydrophobicContact CB-CE2 3.94Å; N117-F137 HydrophobicContact CB-CG 3.7Å; N117-F137 HydrophobicContact CB-CZ 3.71Å; N117-F137 VanDerWaalsContact CG-CD1 3.47Å; N117-F137 VanDerWaalsContact ND2-CD1 3.32Å; N117-F137 WeakPolarHBondContact ND2-CD1 3.24Å; N117-F137 WeakPolarHBondContact ND2-CE1 3.37Å; N117-C142 PolarHBondContact ND2-O 3.3Å
118G94.6Very high90.4Very high55 Ų5573 Ų7357%0.56740%0.395SS*.THydrogen-bonded Turntrans74.616.4-179.600000114.5L116 Q134L116-G118 PolarHBondContact O-N 3.09Å; L116-G118 VanDerWaalsContact O-N 3.08Å; G118-Q134 VanDerWaalsContact O-CG 3.3Å; G118-Q134 WeakPolarHBondContact O-CG 3.45Å; G118-Q134 PolarHBondContact O-NE2 3.39Å
119G96.6Very high90.7Very high15 Ų1573.8 Ų73.816%0.15540%0.396CS..PPolyproline II helixtrans-62.3146.2171.900000112.3C115 L116 N117 T132C115-G119 WeakPolarHBondContact CB-O 3.43Å; L116-G119 PolarHBondContact O-N 3.44Å; N117-G119 VanDerWaalsContact C-N 3.29Å; N117-G119 PolarHBondContact O-N 3.12Å; G119-T132 CarbonylContact C-O 3.3Å; G119-T132 VanDerWaalsContact CA-O 3.26Å; G119-T132 WeakPolarHBondContact CA-O 3.33Å
120T96.1Very high90.9Very high76 Ų7677.9 Ų77.947%0.46641%0.414SS..EExtended strand (participates in β ladder)trans-95.4131.1178.3-56.80000109.8C131 T132T120-C131 CarbonylContact O-C 3.45Å; T120-C131 WeakPolarHBondContact O-CA 3.26Å; T120-T132 WeakPolarHBondContact CB-OG1 3.38Å; T120-T132 PolarHBondContact N-O 3.18Å; T120-T132 PolarHBondContact O-N 3.32Å; T120-T132 PolarHBondContact O-OG1 3.31Å
121C94.8Very high91.5Very high35 Ų3575.4 Ų75.424%0.23641%0.405CS..EExtended strand (participates in β ladder)trans-94.3126.6-178.8-165.60000111.3C109 C115C109-C121 WeakPolarHBondContact CA-SG 3.47Å; C109-C121 HydrophobicContact CB-CB 3.55Å; C109-C121 WeakPolarHBondContact CB-SG 3.4Å; C109-C121 VanDerWaalsContact SG-C 3.57Å; C109-C121 WeakPolarHBondContact SG-CB 3.3Å; C109-C121 CovalentContact SG-SG 2.03Å; C109-C121 PolarHBondContact SG-SG 3.02Å; C115-C121 WeakPolarHBondContact SG-CA 3.21Å; C115-C121 WeakPolarHBondContact SG-CB 3.39Å
122H93.7Very high92.1Very high80 Ų8073.9 Ų73.937%0.3740%0.396SS..EExtended strand (participates in β ladder)trans-112.8131.8174.5-57.9-74.5000109.7Y129 E130 T132H122-Y129 CarbonylContact O-C 3.54Å; H122-Y129 VanDerWaalsContact O-CA 3.25Å; H122-Y129 WeakPolarHBondContact O-CA 3.45Å; H122-E130 PolarHBondContact N-O 3.34Å; H122-E130 PolarHBondContact O-N 2.86Å; H122-T132 WeakPolarHBondContact NE2-CG2 3.46Å; H122-T132 PolarHBondContact NE2-OG1 2.95Å
123M88.1Confident92.6Very high62 Ų6272.5 Ų72.531%0.30539%0.386SS..EExtended strand (participates in β ladder)trans-79.8125.4172.6-73.1-71.7-73.700109.8H107 P108 C109 S125H107-M123 WeakPolarHBondContact CE1-CG 3.32Å; P108-M123 HydrophobicContact CB-SD 4.33Å; P108-M123 HydrophobicContact CG-CE 4.41Å; P108-M123 HydrophobicContact CG-SD 4.17Å; C109-M123 HydrophobicContact CB-SD 4.43Å; M123-S125 WeakPolarHBondContact CE-O 3.35Å
124L88.1Confident92.8Very high112 Ų11269.1 Ų69.159%0.58638%0.377SS*.SBendtrans-95.8-35.8171.9-65.6-177.4000111.5T128 E130L124-T128 PolarHBondContact N-O 3.17Å; L124-E130 HydrophobicContact CD1-CB 3.82Å; L124-E130 HydrophobicContact CD2-CB 4.3Å; L124-E130 HydrophobicContact CG-CB 3.94Å
125S86Confident92.8Very high60 Ų6075.1 Ų75.142%0.4241%0.414SS..SBendtrans-154-175.417478.40000110.4M123 D127 T128M123-S125 WeakPolarHBondContact CE-O 3.35Å; S125-D127 PolarHBondContact O-N 3.21Å; S125-D127 VanDerWaalsContact O-N 3.15Å; S125-T128 WeakPolarHBondContact CB-OG1 3.3Å; S125-T128 PolarHBondContact N-O 2.02Å; S125-T128 PolarHBondContact N-OG1 2.04Å; S125-T128 PolarHBondContact O-N 3.37Å; S125-T128 PolarHBondContact OG-OG1 3.37Å
126R81.4Confident92.6Very high205 Ų20575 Ų7577%0.77442%0.416SS*.SBendtrans-52.8-36.8-178.4-86-167.7-85.7-130.6-1.3114P108P108-R126 WeakPolarHBondContact CD-O 3.37Å
127D83.5Confident92.6Very high114 Ų11474.1 Ų74.161%0.6141%0.409SS*.SBendtrans-120-0.4-174.4-52.3-70.4000113.1S125S125-D127 PolarHBondContact O-N 3.21Å; S125-D127 VanDerWaalsContact O-N 3.15Å
128T89.7Confident92.5Very high68 Ų6872.8 Ų72.842%0.41740%0.403SS..  trans-119138.8-176.669.40000111.7L124 S125L124-T128 PolarHBondContact N-O 3.17Å; S125-T128 WeakPolarHBondContact CB-OG1 3.3Å; S125-T128 PolarHBondContact N-O 2.02Å; S125-T128 PolarHBondContact N-OG1 2.04Å; S125-T128 PolarHBondContact O-N 3.37Å; S125-T128 PolarHBondContact OG-OG1 3.37Å
129Y92.5Very high92.4Very high35 Ų3571.1 Ų71.114%0.13739%0.387CS..EExtended strand (participates in β ladder)trans-130.7160.8-17971.6-92.3000110.3P108 P114 H122 E141P108-Y129 HydrophobicContact CB-CD1 3.94Å; P114-Y129 HydrophobicContact CB-CD1 4.46Å; P114-Y129 HydrophobicContact CB-CD2 4.23Å; P114-Y129 HydrophobicContact CB-CE1 3.86Å; P114-Y129 HydrophobicContact CB-CE2 3.64Å; P114-Y129 VanDerWaalsContact CB-CZ 3.43Å; P114-Y129 HydrophobicContact CG-CD1 3.93Å; P114-Y129 HydrophobicContact CG-CD2 3.59Å; P114-Y129 HydrophobicContact CG-CE1 3.84Å; P114-Y129 HydrophobicContact CG-CE2 3.54Å; P114-Y129 HydrophobicContact CG-CG 3.83Å; H122-Y129 CarbonylContact O-C 3.54Å; H122-Y129 VanDerWaalsContact O-CA 3.25Å; H122-Y129 WeakPolarHBondContact O-CA 3.45Å; Y129-E141 HydrophobicContact CE2-CG 4.44Å; Y129-E141 VanDerWaalsContact OH-CG 3.3Å; Y129-E141 WeakPolarHBondContact OH-CG 3.42Å; Y129-E141 PolarHBondContact OH-OE1 2.87Å
130E95.8Very high92.3Very high106 Ų10677.6 Ų77.650%0.49541%0.41SS..EExtended strand (participates in β ladder)trans-131.1134.5171.1179.9171.7-150.900108.9H122 L124H122-E130 PolarHBondContact N-O 3.34Å; H122-E130 PolarHBondContact O-N 2.86Å; L124-E130 HydrophobicContact CD1-CB 3.82Å; L124-E130 HydrophobicContact CD2-CB 4.3Å; L124-E130 HydrophobicContact CG-CB 3.94Å
131C97.4Very high92.2Very high18 Ų1877.4 Ų77.412%0.12240%0.404CS..EExtended strand (participates in β ladder)trans-100.2127.2175.7-65.40000110.2C115 T120 K140C115-C131 WeakPolarHBondContact CA-SG 3.01Å; C115-C131 HydrophobicContact CB-CB 3.8Å; C115-C131 WeakPolarHBondContact CB-SG 3.39Å; C115-C131 VanDerWaalsContact SG-CA 3.51Å; C115-C131 WeakPolarHBondContact SG-CB 3.02Å; C115-C131 CovalentContact SG-SG 2.03Å; C115-C131 PolarHBondContact SG-SG 3.01Å; T120-C131 CarbonylContact O-C 3.45Å; T120-C131 WeakPolarHBondContact O-CA 3.26Å; C131-K140 WeakPolarHBondContact CB-O 3.21Å; C131-K140 PolarHBondContact SG-O 2.7Å
132T97.4Very high92.3Very high65 Ų6575.8 Ų75.840%0.39939%0.393SS..EExtended strand (participates in β ladder)trans-91.3118.6163.849.70000109.1G119 T120 H122G119-T132 CarbonylContact C-O 3.3Å; G119-T132 VanDerWaalsContact CA-O 3.26Å; G119-T132 WeakPolarHBondContact CA-O 3.33Å; T120-T132 WeakPolarHBondContact CB-OG1 3.38Å; T120-T132 PolarHBondContact N-O 3.18Å; T120-T132 PolarHBondContact O-N 3.32Å; T120-T132 PolarHBondContact O-OG1 3.31Å; H122-T132 WeakPolarHBondContact NE2-CG2 3.46Å; H122-T132 PolarHBondContact NE2-OG1 2.95Å
133C96.3Very high92.4Very high47 Ų4774.8 Ų74.832%0.31839%0.389SS..PPolyproline II helixtrans-84.4144.6-175.4-550000112.2F137 C142C133-F137 HydrophobicContact CB-CB 4.3Å; C133-F137 WeakPolarHBondContact CB-O 3.39Å; C133-C142 WeakPolarHBondContact CA-SG 3.06Å; C133-C142 HydrophobicContact CB-CB 3.75Å; C133-C142 WeakPolarHBondContact CB-SG 3.4Å; C133-C142 WeakPolarHBondContact SG-CA 3.41Å; C133-C142 WeakPolarHBondContact SG-CB 3.48Å; C133-C142 CovalentContact SG-SG 2.04Å; C133-C142 PolarHBondContact SG-SG 3.35Å
134Q95.8Very high92.7Very high112 Ų11275.5 Ų75.552%0.52339%0.388SS..PPolyproline II helixtrans-62157166-70.3-89.5-18.200110G118 G136 F137G118-Q134 VanDerWaalsContact O-CG 3.3Å; G118-Q134 WeakPolarHBondContact O-CG 3.45Å; G118-Q134 PolarHBondContact O-NE2 3.39Å; Q134-G136 PolarHBondContact O-N 3.36Å; Q134-F137 HydrophobicContact CB-CD2 4.16Å; Q134-F137 PolarHBondContact O-N 2.83Å; Q134-F137 VanDerWaalsContact O-N 3.13Å
135V92.6Very high92.9Very high137 Ų13774 Ų7483%0.8338%0.384SS*.THydrogen-bonded Turntrans-55.7132176177.70000109.9
136G92.8Very high93.2Very high18 Ų1873.3 Ų73.319%0.18638%0.375CS..THydrogen-bonded Turntrans88.34.9-178.800000115.4Q134 D146Q134-G136 PolarHBondContact O-N 3.36Å; G136-D146 PolarHBondContact O-N 2.79Å
137F95Very high93.6Very high61 Ų6164 Ų6427%0.26834%0.342SS..EExtended strand (participates in β ladder)trans-125153.4172.3-61.8-84.2000112N117 C133 Q134 C142 W144N117-F137 HydrophobicContact CB-CD1 3.48Å; N117-F137 VanDerWaalsContact CB-CD1 3.48Å; N117-F137 HydrophobicContact CB-CD2 3.94Å; N117-F137 HydrophobicContact CB-CE1 3.48Å; N117-F137 VanDerWaalsContact CB-CE1 3.48Å; N117-F137 HydrophobicContact CB-CE2 3.94Å; N117-F137 HydrophobicContact CB-CG 3.7Å; N117-F137 HydrophobicContact CB-CZ 3.71Å; N117-F137 VanDerWaalsContact CG-CD1 3.47Å; N117-F137 VanDerWaalsContact ND2-CD1 3.32Å; N117-F137 WeakPolarHBondContact ND2-CD1 3.24Å; N117-F137 WeakPolarHBondContact ND2-CE1 3.37Å; C133-F137 HydrophobicContact CB-CB 4.3Å; C133-F137 WeakPolarHBondContact CB-O 3.39Å; Q134-F137 HydrophobicContact CB-CD2 4.16Å; Q134-F137 PolarHBondContact O-N 2.83Å; Q134-F137 VanDerWaalsContact O-N 3.13Å; F137-C142 HydrophobicContact CB-CB 4.39Å; F137-W144 CarbonylContact C-O 3.26Å; F137-W144 WeakPolarHBondContact CA-O 3.48Å
138T93.3Very high94Very high47 Ų4759.3 Ų59.329%0.28832%0.319SS..EExtended strand (participates in β ladder)trans-152.6176-176.6-169.80000111.4C142 Q143 W144 T161T138-C142 CarbonylContact O-C 3.58Å; T138-C142 WeakPolarHBondContact O-CA 3.3Å; T138-Q143 PolarHBondContact O-N 3.47Å; T138-W144 HydrophobicContact CG2-CB 3.91Å; T138-W144 HydrophobicContact CG2-CE3 4.49Å; T138-W144 PolarHBondContact N-O 3.13Å; T138-W144 PolarHBondContact O-N 3.41Å; T138-T161 HydrophobicContact CG2-CG2 3.54Å
139G93.1Very high93.8Very high21 Ų2161.6 Ų61.622%0.21633%0.328CS..SBendtrans93.8164.4-172.100000112.8E141 C142G139-E141 PolarHBondContact O-N 3.5Å; G139-C142 PolarHBondContact O-N 3.46Å
140K94.2Very high93.5Very high150 Ų15064 Ų6465%0.65235%0.35SS*.THydrogen-bonded Turntrans-56.4-33.3-176.4-176.2-176.4174.4-171.30113.3C131C131-K140 WeakPolarHBondContact CB-O 3.21Å; C131-K140 PolarHBondContact SG-O 2.7Å
141E95.4Very high92.8Very high73 Ų7362 Ų6234%0.34134%0.34SS..THydrogen-bonded Turntrans-112.814.6-177.7-70.9177.9179.800111.2P114 L116 Y129 G139 Q143P114-E141 HydrophobicContact CB-CG 4.43Å; P114-E141 WeakPolarHBondContact O-CB 3.37Å; L116-E141 WeakPolarHBondContact CB-O 3.32Å; L116-E141 PolarHBondContact N-O 2.61Å; Y129-E141 HydrophobicContact CE2-CG 4.44Å; Y129-E141 VanDerWaalsContact OH-CG 3.3Å; Y129-E141 WeakPolarHBondContact OH-CG 3.42Å; Y129-E141 PolarHBondContact OH-OE1 2.87Å; G139-E141 PolarHBondContact O-N 3.5Å; E141-Q143 PolarHBondContact O-N 3.11Å; E141-Q143 VanDerWaalsContact O-N 3.15Å
142C96.2Very high92.3Very high0 Ų067.8 Ų67.80%037%0.369CS..SBendtrans56.127.1-174.5-49.90000113.3L116 N117 C133 F137 T138 G139 W144L116-C142 WeakPolarHBondContact O-CB 3.34Å; N117-C142 PolarHBondContact ND2-O 3.3Å; C133-C142 WeakPolarHBondContact CA-SG 3.06Å; C133-C142 HydrophobicContact CB-CB 3.75Å; C133-C142 WeakPolarHBondContact CB-SG 3.4Å; C133-C142 WeakPolarHBondContact SG-CA 3.41Å; C133-C142 WeakPolarHBondContact SG-CB 3.48Å; C133-C142 CovalentContact SG-SG 2.04Å; C133-C142 PolarHBondContact SG-SG 3.35Å; F137-C142 HydrophobicContact CB-CB 4.39Å; T138-C142 CarbonylContact O-C 3.58Å; T138-C142 WeakPolarHBondContact O-CA 3.3Å; G139-C142 PolarHBondContact O-N 3.46Å; C142-W144 VanDerWaalsContact C-N 3.33Å
143Q95.1Very high92.1Very high60 Ų6065.7 Ų65.728%0.2836%0.357SS..  trans-78.7-17.6-172.373.4-84.625.100113.3L116 T138 E141L116-Q143 HydrophobicContact CD1-CB 3.72Å; T138-Q143 PolarHBondContact O-N 3.47Å; E141-Q143 PolarHBondContact O-N 3.11Å; E141-Q143 VanDerWaalsContact O-N 3.15Å
144W94.1Very high92Very high76 Ų7665 Ų6529%0.28836%0.355SS..EExtended strand (participates in β ladder)trans-103138.1-177.1-58.8-35.2000111.8F137 T138 C142 T161 A163 N164F137-W144 CarbonylContact C-O 3.26Å; F137-W144 WeakPolarHBondContact CA-O 3.48Å; T138-W144 HydrophobicContact CG2-CB 3.91Å; T138-W144 HydrophobicContact CG2-CE3 4.49Å; T138-W144 PolarHBondContact N-O 3.13Å; T138-W144 PolarHBondContact O-N 3.41Å; C142-W144 VanDerWaalsContact C-N 3.33Å; W144-T161 HydrophobicContact CB-CG2 4.32Å; W144-A163 HydrophobicContact CZ2-CB 4.46Å; W144-N164 WeakPolarHBondContact CA-OD1 3.42Å; W144-N164 VanDerWaalsContact CB-OD1 3.31Å; W144-N164 WeakPolarHBondContact CB-OD1 3.24Å
145T93.6Very high91.8Very high82 Ų8263.3 Ų63.350%0.50335%0.349SS..EExtended strand (participates in β ladder)trans-74134165.9-56.80000108.5A147 T161 N164T145-A147 PolarHBondContact O-N 2.9Å; T145-T161 WeakPolarHBondContact O-CG2 3.04Å; T145-N164 PolarHBondContact N-OD1 2.9Å
146D91.7Very high91.7Very high44 Ų4460.1 Ų60.124%0.23534%0.344CS..  trans-69.797.4-179-170.37000111.3G136 C148 L149 T161G136-D146 PolarHBondContact O-N 2.79Å; D146-C148 PolarHBondContact O-N 2.95Å; D146-C148 WeakPolarHBondContact OD1-CB 3.01Å; D146-C148 PolarHBondContact OD1-N 3.28Å; D146-L149 HydrophobicContact CB-CD1 4.25Å; D146-L149 HydrophobicContact CB-CG 4.21Å; D146-L149 PolarHBondContact O-N 3.25Å; D146-T161 PolarHBondContact OD1-OG1 3.31Å
147A89.8Confident91.7Very high10 Ų1060 Ų608%0.08334%0.341CS..G310 helixtrans-66.6-23.5-179.800000112.4T145 L149 S150 H151 T161 F166T145-A147 PolarHBondContact O-N 2.9Å; A147-L149 PolarHBondContact O-N 3.19Å; A147-S150 PolarHBondContact O-N 3.13Å; A147-S150 PolarHBondContact O-OG 2.81Å; A147-H151 PolarHBondContact O-N 3.33Å; A147-H151 VanDerWaalsContact O-N 3.17Å; A147-H151 PolarHBondContact O-ND1 3.33Å; A147-T161 HydrophobicContact CB-CG2 4.21Å; A147-T161 PolarHBondContact N-OG1 3.15Å; A147-F166 HydrophobicContact CB-CB 3.89Å
148C91.5Very high91.6Very high16 Ų1661.3 Ų61.311%0.10835%0.353CS..G310 helixtrans-67.5-21.2179-69.70000113.6D146 S150 C159 T160 T161D146-C148 PolarHBondContact O-N 2.95Å; D146-C148 WeakPolarHBondContact OD1-CB 3.01Å; D146-C148 PolarHBondContact OD1-N 3.28Å; C148-S150 PolarHBondContact O-N 2.82Å; C148-C159 VanDerWaalsContact CA-SG 3.5Å; C148-C159 HydrophobicContact CB-CB 3.8Å; C148-C159 WeakPolarHBondContact CB-SG 3.35Å; C148-C159 WeakPolarHBondContact SG-CB 2.99Å; C148-C159 CovalentContact SG-SG 2.04Å; C148-C159 PolarHBondContact SG-SG 2.79Å; C148-T160 PolarHBondContact SG-N 3Å; C148-T161 PolarHBondContact N-OG1 3.07Å
149L87Confident91.7Very high116 Ų11660.8 Ų60.861%0.60735%0.351SS*.G310 helixtrans-66.3-27.2174.4-68.8179.4000113D146 A147D146-L149 HydrophobicContact CB-CD1 4.25Å; D146-L149 HydrophobicContact CB-CG 4.21Å; D146-L149 PolarHBondContact O-N 3.25Å; A147-L149 PolarHBondContact O-N 3.19Å
150S84.5Confident91.7Very high86 Ų8663.1 Ų63.160%0.60136%0.361SS*.THydrogen-bonded Turntrans-103.8-18.9-179.854.10000113.4A147 C148A147-S150 PolarHBondContact O-N 3.13Å; A147-S150 PolarHBondContact O-OG 2.81Å; C148-S150 PolarHBondContact O-N 2.82Å
151H81.4Confident91.5Very high63 Ų6356.8 Ų56.829%0.29234%0.335SS..  trans-126.881.2-175.6-61.685000110.5A147 C153 F166A147-H151 PolarHBondContact O-N 3.33Å; A147-H151 VanDerWaalsContact O-N 3.17Å; A147-H151 PolarHBondContact O-ND1 3.33Å; H151-C153 PolarHBondContact O-N 3.47Å; H151-F166 HydrophobicContact CB-CB 3.97Å; H151-F166 HydrophobicContact CB-CD1 3.52Å; H151-F166 HydrophobicContact CB-CD2 3.79Å; H151-F166 HydrophobicContact CB-CE1 3.88Å; H151-F166 HydrophobicContact CB-CE2 4.13Å; H151-F166 HydrophobicContact CB-CG 3.47Å; H151-F166 VanDerWaalsContact CB-CG 3.47Å; H151-F166 HydrophobicContact CB-CZ 4.17Å; H151-F166 AromaticContact CD2-CD1 3.67Å; H151-F166 AromaticContact CD2-CE1 3.33Å; H151-F166 WeakPolarHBondContact CD2-CE1 3.34Å; H151-F166 AromaticContact CD2-CZ 3.91Å; H151-F166 AromaticContact CG-CD1 3.38Å; H151-F166 AromaticContact CG-CE1 3.56Å; H151-F166 AromaticContact CG-CG 3.9Å; H151-F166 AromaticContact ND1-CD1 3.81Å; H151-F166 AromaticContact NE2-CE1 3.96Å
152L86.7Confident91Very high140 Ų14057 Ų5773%0.73334%0.341SS*.PPolyproline II helixtrans-71.3130.1174.1-63.5175.6000110.3
153C93.9Very high90.5Very high21 Ų2159.7 Ų59.714%0.14236%0.363CS..PPolyproline II helixtrans-75.1142171.4-46.40000110.1H151 S157 C159 C168H151-C153 PolarHBondContact O-N 3.47Å; C153-S157 WeakPolarHBondContact CB-OG 3.37Å; C153-C159 VanDerWaalsContact SG-CA 3.58Å; C153-C159 WeakPolarHBondContact SG-CB 3.4Å; C153-C168 HydrophobicContact CB-CB 3.7Å; C153-C168 WeakPolarHBondContact CB-SG 3.46Å; C153-C168 VanDerWaalsContact SG-CA 3.51Å; C153-C168 WeakPolarHBondContact SG-CB 2.95Å; C153-C168 CovalentContact SG-SG 2.02Å; C153-C168 PolarHBondContact SG-SG 3.44Å
154A93.6Very high90.1Very high33 Ų3361.1 Ų61.127%0.27337%0.373SS..SBendtrans-82.3170.7-177.800000112.3G156 S157 K178 E180A154-G156 PolarHBondContact O-N 2.94Å; A154-G156 VanDerWaalsContact O-N 3.09Å; A154-S157 WeakPolarHBondContact O-CB 3.5Å; A154-S157 PolarHBondContact O-N 3.08Å; A154-S157 VanDerWaalsContact O-N 3.12Å; A154-S157 PolarHBondContact O-OG 3.46Å; A154-K178 WeakPolarHBondContact CB-O 3.33Å; A154-K178 PolarHBondContact N-O 2.84Å; A154-E180 HydrophobicContact CB-CB 4.19Å
155N92.4Very high89.8Confident75 Ų7564.4 Ų64.440%0.40139%0.392SS..THydrogen-bonded Turntrans55.331.8170.9-58.9-45.9000114.6S157 L171 F174 C179N155-S157 VanDerWaalsContact C-N 3.26Å; N155-S157 PolarHBondContact O-N 2.94Å; N155-L171 WeakPolarHBondContact O-CD1 3.42Å; N155-F174 HydrophobicContact CB-CD1 3.94Å; N155-F174 HydrophobicContact CB-CD2 4.02Å; N155-F174 HydrophobicContact CB-CE1 3.87Å; N155-F174 HydrophobicContact CB-CE2 3.94Å; N155-F174 HydrophobicContact CB-CG 4.01Å; N155-F174 HydrophobicContact CB-CZ 3.86Å; N155-F174 WeakPolarHBondContact ND2-CD1 3.33Å; N155-F174 VanDerWaalsContact ND2-CE1 3.33Å; N155-F174 WeakPolarHBondContact ND2-CE1 3.04Å; N155-C179 PolarHBondContact ND2-O 2.79Å
156G89.5Confident89.8Confident70 Ų7062 Ų6272%0.72237%0.374SS*.THydrogen-bonded Turntrans71.216.2177.500000114.8A154A154-G156 PolarHBondContact O-N 2.94Å; A154-G156 VanDerWaalsContact O-N 3.09Å
157S93.5Very high89.8Confident17 Ų1762.7 Ų62.712%0.11938%0.383CS..PPolyproline II helixtrans-70.7159.5178.453.90000113.1C153 A154 N155 K169C153-S157 WeakPolarHBondContact CB-OG 3.37Å; A154-S157 WeakPolarHBondContact O-CB 3.5Å; A154-S157 PolarHBondContact O-N 3.08Å; A154-S157 VanDerWaalsContact O-N 3.12Å; A154-S157 PolarHBondContact O-OG 3.46Å; N155-S157 VanDerWaalsContact C-N 3.26Å; N155-S157 PolarHBondContact O-N 2.94Å; S157-K169 VanDerWaalsContact CB-O 3.25Å; S157-K169 WeakPolarHBondContact CB-O 3.25Å
158T93.9Very high90.1Very high87 Ų8763.2 Ų63.253%0.53439%0.385SS..EExtended strand (participates in β ladder)trans-89.6128.3-178.4-51.90000110.8K169T158-K169 PolarHBondContact N-O 2.89Å; T158-K169 PolarHBondContact O-N 2.95Å
159C94.4Very high90.2Very high36 Ų3670.1 Ų70.124%0.24341%0.414CS..EExtended strand (participates in β ladder)trans-95.3136.7172.7-166.90000111.2C148 C153C148-C159 VanDerWaalsContact CA-SG 3.5Å; C148-C159 HydrophobicContact CB-CB 3.8Å; C148-C159 WeakPolarHBondContact CB-SG 3.35Å; C148-C159 WeakPolarHBondContact SG-CB 2.99Å; C148-C159 CovalentContact SG-SG 2.04Å; C148-C159 PolarHBondContact SG-SG 2.79Å; C153-C159 VanDerWaalsContact SG-CA 3.58Å; C153-C159 WeakPolarHBondContact SG-CB 3.4Å
160T92.7Very high90.7Very high70 Ų7066.5 Ų66.543%0.42940%0.398SS..EExtended strand (participates in β ladder)trans-129.6143.3167.359.90000110.6C148 F166 S167C148-T160 PolarHBondContact SG-N 3Å; T160-F166 CarbonylContact O-C 3.39Å; T160-S167 PolarHBondContact N-O 2.94Å; T160-S167 PolarHBondContact O-N 3.26Å; T160-S167 PolarHBondContact OG1-O 2.86Å
161T91.2Very high91.1Very high17 Ų1766.7 Ų66.710%0.10439%0.392CS..EExtended strand (participates in β ladder)trans-94.9122.4172.6-68.90000109T138 W144 T145 D146 A147 C148 Q165T138-T161 HydrophobicContact CG2-CG2 3.54Å; W144-T161 HydrophobicContact CB-CG2 4.32Å; T145-T161 WeakPolarHBondContact O-CG2 3.04Å; D146-T161 PolarHBondContact OD1-OG1 3.31Å; A147-T161 HydrophobicContact CB-CG2 4.21Å; A147-T161 PolarHBondContact N-OG1 3.15Å; C148-T161 PolarHBondContact N-OG1 3.07Å; T161-Q165 CarbonylContact C-O 3.57Å; T161-Q165 WeakPolarHBondContact CA-O 2.86Å
162V85.1Confident91.7Very high78 Ų7870.2 Ų70.247%0.47342%0.417SS..EExtended strand (participates in β ladder)trans-125.8120.5175.7-175.90000108N164 Q165V162-N164 PolarHBondContact O-N 3.46Å; V162-Q165 PolarHBondContact N-O 2.89Å; V162-Q165 WeakPolarHBondContact O-CB 3.42Å; V162-Q165 PolarHBondContact O-N 3.41Å
163A85.9Confident92.1Very high56 Ų5664 Ų6446%0.46339%0.387SS..THydrogen-bonded Turntrans50.749175.700000114.4W144 Q165W144-A163 HydrophobicContact CZ2-CB 4.46Å; A163-Q165 PolarHBondContact O-N 2.04Å
164N85Confident92.3Very high91 Ų9164.7 Ų64.749%0.48739%0.388SS..THydrogen-bonded Turntrans63.39.2-175.1-62.2-32.1000115.8W144 T145 V162W144-N164 WeakPolarHBondContact CA-OD1 3.42Å; W144-N164 VanDerWaalsContact CB-OD1 3.31Å; W144-N164 WeakPolarHBondContact CB-OD1 3.24Å; T145-N164 PolarHBondContact N-OD1 2.9Å; V162-N164 PolarHBondContact O-N 3.46Å
165Q89.5Confident92.4Very high145 Ų14566.6 Ų66.668%0.67840%0.396SS*.EExtended strand (participates in β ladder)trans-111.2147.4174.7-62.5-177.72.100110.1T161 V162 A163T161-Q165 CarbonylContact C-O 3.57Å; T161-Q165 WeakPolarHBondContact CA-O 2.86Å; V162-Q165 PolarHBondContact N-O 2.89Å; V162-Q165 WeakPolarHBondContact O-CB 3.42Å; V162-Q165 PolarHBondContact O-N 3.41Å; A163-Q165 PolarHBondContact O-N 2.04Å
166F92Very high92.5Very high30 Ų3064.5 Ų64.513%0.13239%0.393CS..EExtended strand (participates in β ladder)trans-83.1144.3170.877.8-84.2000109.4A147 H151 T160 Q177 K178A147-F166 HydrophobicContact CB-CB 3.89Å; H151-F166 HydrophobicContact CB-CB 3.97Å; H151-F166 HydrophobicContact CB-CD1 3.52Å; H151-F166 HydrophobicContact CB-CD2 3.79Å; H151-F166 HydrophobicContact CB-CE1 3.88Å; H151-F166 HydrophobicContact CB-CE2 4.13Å; H151-F166 HydrophobicContact CB-CG 3.47Å; H151-F166 VanDerWaalsContact CB-CG 3.47Å; H151-F166 HydrophobicContact CB-CZ 4.17Å; H151-F166 AromaticContact CD2-CD1 3.67Å; H151-F166 AromaticContact CD2-CE1 3.33Å; H151-F166 WeakPolarHBondContact CD2-CE1 3.34Å; H151-F166 AromaticContact CD2-CZ 3.91Å; H151-F166 AromaticContact CG-CD1 3.38Å; H151-F166 AromaticContact CG-CE1 3.56Å; H151-F166 AromaticContact CG-CG 3.9Å; H151-F166 AromaticContact ND1-CD1 3.81Å; H151-F166 AromaticContact NE2-CE1 3.96Å; T160-F166 CarbonylContact O-C 3.39Å; F166-Q177 HydrophobicContact CE2-CG 3.96Å; F166-Q177 HydrophobicContact CZ-CG 3.77Å; F166-K178 HydrophobicContact CE2-CG 3.84Å; F166-K178 HydrophobicContact CZ-CG 4.12Å
167S92.8Very high92.6Very high60 Ų6067.8 Ų67.842%0.4239%0.389SS..EExtended strand (participates in β ladder)trans-133.9125.2172.1-174.90000108.6T160T160-S167 PolarHBondContact N-O 2.94Å; T160-S167 PolarHBondContact O-N 3.26Å; T160-S167 PolarHBondContact OG1-O 2.86Å
168C95.1Very high92.7Very high20 Ų2070.4 Ų70.414%0.13540%0.398CS..EExtended strand (participates in β ladder)trans-100.6125.8179.2-64.40000110.2C153 Q177 C179C153-C168 HydrophobicContact CB-CB 3.7Å; C153-C168 WeakPolarHBondContact CB-SG 3.46Å; C153-C168 VanDerWaalsContact SG-CA 3.51Å; C153-C168 WeakPolarHBondContact SG-CB 2.95Å; C153-C168 CovalentContact SG-SG 2.02Å; C153-C168 PolarHBondContact SG-SG 3.44Å; C168-Q177 WeakPolarHBondContact CB-O 3.34Å; C168-Q177 PolarHBondContact SG-O 3.43Å; C168-C179 VanDerWaalsContact CB-SG 3.57Å
169K95.1Very high92.8Very high162 Ų16266.3 Ų66.370%0.70437%0.373SS*.EExtended strand (participates in β ladder)trans-90.5102.6168.2-175.9-178177.6-177.60109.3S157 T158S157-K169 VanDerWaalsContact CB-O 3.25Å; S157-K169 WeakPolarHBondContact CB-O 3.25Å; T158-K169 PolarHBondContact N-O 2.89Å; T158-K169 PolarHBondContact O-N 2.95Å
170C95.6Very high92.8Very high40 Ų4069.5 Ų69.527%0.2739%0.385SS..PPolyproline II helixtrans-66.8143.4-179.2-52.40000112.2F174 C179C170-F174 HydrophobicContact CB-CB 4.43Å; C170-F174 WeakPolarHBondContact CB-O 3.44Å; C170-C179 WeakPolarHBondContact CA-SG 2.99Å; C170-C179 HydrophobicContact CB-CB 3.67Å; C170-C179 WeakPolarHBondContact CB-SG 3.13Å; C170-C179 PolarHBondContact N-SG 3.42Å; C170-C179 WeakPolarHBondContact SG-CA 3.32Å; C170-C179 WeakPolarHBondContact SG-CB 3.29Å; C170-C179 CovalentContact SG-SG 2.04Å; C170-C179 PolarHBondContact SG-SG 3.17Å
171L94.8Very high93Very high90 Ų9069.5 Ų69.547%0.47138%0.384SS..PPolyproline II helixtrans-69.3158.6164.8-65.9177.8000109.2N155 G173 F174N155-L171 WeakPolarHBondContact O-CD1 3.42Å; L171-G173 PolarHBondContact O-N 3.37Å; L171-F174 HydrophobicContact CB-CD2 4.19Å; L171-F174 PolarHBondContact O-N 3.43Å; L171-F174 VanDerWaalsContact O-N 3.16Å
172T93.9Very high93.2Very high136 Ų13671 Ų7183%0.83439%0.392SS*.THydrogen-bonded Turntrans-51.8136.9173.1-46.90000110.2F174T172-F174 VanDerWaalsContact C-N 3.35Å
173G95Very high93.7Very high9 Ų969.7 Ų69.79%0.09338%0.384CS..THydrogen-bonded Turntrans85.20.2-179.600000114.7L171 V183 E185L171-G173 PolarHBondContact O-N 3.37Å; G173-V183 WeakPolarHBondContact O-CB 3.2Å; G173-V183 PolarHBondContact O-N 3.05Å; G173-E185 WeakPolarHBondContact CA-OE1 3.31Å
174F97.3Very high94.2Very high36 Ų3669.6 Ų69.616%0.15838%0.375CS..EExtended strand (participates in β ladder)trans-123.2149.4174.9-61.2-78.1000112.2N155 C170 L171 T172 C179 T181N155-F174 HydrophobicContact CB-CD1 3.94Å; N155-F174 HydrophobicContact CB-CD2 4.02Å; N155-F174 HydrophobicContact CB-CE1 3.87Å; N155-F174 HydrophobicContact CB-CE2 3.94Å; N155-F174 HydrophobicContact CB-CG 4.01Å; N155-F174 HydrophobicContact CB-CZ 3.86Å; N155-F174 WeakPolarHBondContact ND2-CD1 3.33Å; N155-F174 VanDerWaalsContact ND2-CE1 3.33Å; N155-F174 WeakPolarHBondContact ND2-CE1 3.04Å; C170-F174 HydrophobicContact CB-CB 4.43Å; C170-F174 WeakPolarHBondContact CB-O 3.44Å; L171-F174 HydrophobicContact CB-CD2 4.19Å; L171-F174 PolarHBondContact O-N 3.43Å; L171-F174 VanDerWaalsContact O-N 3.16Å; T172-F174 VanDerWaalsContact C-N 3.35Å; F174-C179 HydrophobicContact CB-CB 4.38Å; F174-T181 CarbonylContact C-O 3.56Å; F174-T181 WeakPolarHBondContact CA-O 2.99Å
175T95.5Very high94.6Very high73 Ų7366.3 Ų66.345%0.44836%0.357SS..EExtended strand (participates in β ladder)trans-144.4177.2-179-167.20000111.3C179 E180 T181 V183T175-C179 CarbonylContact O-C 3.56Å; T175-C179 VanDerWaalsContact O-CA 3.27Å; T175-C179 WeakPolarHBondContact O-CA 3.35Å; T175-E180 PolarHBondContact O-N 3.08Å; T175-T181 HydrophobicContact CG2-CG2 3.88Å; T175-T181 PolarHBondContact N-O 2.79Å; T175-T181 WeakPolarHBondContact O-CB 3.24Å; T175-T181 PolarHBondContact O-N 3.31Å; T175-V183 HydrophobicContact CG2-CG2 3.84Å
176G94.6Very high94.8Very high32 Ų3261 Ų6133%0.3334%0.336SS..SBendtrans97.6166.7-173.600000112.9K178 C179G176-K178 PolarHBondContact O-N 3.37Å; G176-C179 PolarHBondContact O-N 2.87Å; G176-C179 VanDerWaalsContact O-N 3.16Å
177Q92.8Very high94.8Very high138 Ų13865.6 Ų65.665%0.64536%0.362SS*.THydrogen-bonded Turntrans-64.7-31.6-175.3-167.8-173.741.900112F166 C168F166-Q177 HydrophobicContact CE2-CG 3.96Å; F166-Q177 HydrophobicContact CZ-CG 3.77Å; C168-Q177 WeakPolarHBondContact CB-O 3.34Å; C168-Q177 PolarHBondContact SG-O 3.43Å
178K93.9Very high94.6Very high73 Ų7367.3 Ų67.332%0.31737%0.365SS..THydrogen-bonded Turntrans-108.412.9176.3-64.4-177.8176.3-1770112A154 F166 G176 E180A154-K178 WeakPolarHBondContact CB-O 3.33Å; A154-K178 PolarHBondContact N-O 2.84Å; F166-K178 HydrophobicContact CE2-CG 3.84Å; F166-K178 HydrophobicContact CZ-CG 4.12Å; G176-K178 PolarHBondContact O-N 3.37Å; K178-E180 WeakPolarHBondContact CA-OE2 3.42Å; K178-E180 WeakPolarHBondContact CB-OE2 3.35Å; K178-E180 PolarHBondContact N-OE2 3.45Å; K178-E180 PolarHBondContact O-N 2.03Å
179C96.3Very high94.1Very high0 Ų072.2 Ų72.20%040%0.397CS..SBendtrans57.531-175.9-47.60000113.3N155 C168 C170 F174 T175 G176N155-C179 PolarHBondContact ND2-O 2.79Å; C168-C179 VanDerWaalsContact CB-SG 3.57Å; C170-C179 WeakPolarHBondContact CA-SG 2.99Å; C170-C179 HydrophobicContact CB-CB 3.67Å; C170-C179 WeakPolarHBondContact CB-SG 3.13Å; C170-C179 PolarHBondContact N-SG 3.42Å; C170-C179 WeakPolarHBondContact SG-CA 3.32Å; C170-C179 WeakPolarHBondContact SG-CB 3.29Å; C170-C179 CovalentContact SG-SG 2.04Å; C170-C179 PolarHBondContact SG-SG 3.17Å; F174-C179 HydrophobicContact CB-CB 4.38Å; T175-C179 CarbonylContact O-C 3.56Å; T175-C179 VanDerWaalsContact O-CA 3.27Å; T175-C179 WeakPolarHBondContact O-CA 3.35Å; G176-C179 PolarHBondContact O-N 2.87Å; G176-C179 VanDerWaalsContact O-N 3.16Å
180E95.1Very high93.7Very high104 Ų10467.1 Ų67.149%0.48639%0.39SS..  trans-84.3-19.6-175.769.6-86.5-145.500113.3A154 T175 K178A154-E180 HydrophobicContact CB-CB 4.19Å; T175-E180 PolarHBondContact O-N 3.08Å; K178-E180 WeakPolarHBondContact CA-OE2 3.42Å; K178-E180 WeakPolarHBondContact CB-OE2 3.35Å; K178-E180 PolarHBondContact N-OE2 3.45Å; K178-E180 PolarHBondContact O-N 2.03Å
181T96.1Very high93.4Very high69 Ų6967.2 Ų67.242%0.42339%0.387SS..EExtended strand (participates in β ladder)trans-97.1127.5-174.7-540000109.4F174 T175F174-T181 CarbonylContact C-O 3.56Å; F174-T181 WeakPolarHBondContact CA-O 2.99Å; T175-T181 HydrophobicContact CG2-CG2 3.88Å; T175-T181 PolarHBondContact N-O 2.79Å; T175-T181 WeakPolarHBondContact O-CB 3.24Å; T175-T181 PolarHBondContact O-N 3.31Å
182D96Very high93.4Very high49 Ų4964 Ų6426%0.26237%0.372SS..EExtended strand (participates in β ladder)trans-70.9134.6170.8-176.456.7000110.5N200 P202 G203D182-N200 PolarHBondContact OD2-ND2 3.3Å; D182-P202 VanDerWaalsContact OD1-CA 3.27Å; D182-P202 WeakPolarHBondContact OD1-CA 3.4Å; D182-G203 PolarHBondContact OD1-N 2.81Å
183V95.9Very high93.4Very high50 Ų5061.7 Ų61.730%0.30335%0.351SS..PPolyproline II helixtrans-82.3118.6173.7174.70000107.3G173 T175 E185 N200G173-V183 WeakPolarHBondContact O-CB 3.2Å; G173-V183 PolarHBondContact O-N 3.05Å; T175-V183 HydrophobicContact CG2-CG2 3.84Å; V183-E185 PolarHBondContact O-N 3.24Å; V183-E185 VanDerWaalsContact O-OE2 3.12Å; V183-N200 PolarHBondContact O-OD1 3.5Å
184N95.3Very high93.3Very high54 Ų5465.9 Ų65.929%0.28937%0.368SS..  trans-75.694.4173.8-178.49.9000110.6C186 D187 N200N184-C186 PolarHBondContact O-N 3.43Å; N184-C186 VanDerWaalsContact O-N 3.16Å; N184-C186 VanDerWaalsContact OD1-CB 3.28Å; N184-C186 WeakPolarHBondContact OD1-CB 3.04Å; N184-C186 PolarHBondContact OD1-N 3.04Å; N184-D187 WeakPolarHBondContact CB-OD2 3.18Å; N184-D187 PolarHBondContact ND2-OD1 3.19Å; N184-D187 PolarHBondContact ND2-OD2 2.97Å; N184-D187 PolarHBondContact O-N 2.83Å; N184-D187 VanDerWaalsContact O-N 3.14Å; N184-N200 WeakPolarHBondContact CA-OD1 3.48Å; N184-N200 WeakPolarHBondContact OD1-CB 3.38Å
185E93.7Very high93Very high22 Ų2266.8 Ų66.810%0.10339%0.388CS..G310 helixtrans-65.6-18.4-179.6-63.689.1-179.700113G173 V183 D187 I188 H191 N200 Y205G173-E185 WeakPolarHBondContact CA-OE1 3.31Å; V183-E185 PolarHBondContact O-N 3.24Å; V183-E185 VanDerWaalsContact O-OE2 3.12Å; E185-D187 PolarHBondContact O-N 2.03Å; E185-I188 PolarHBondContact O-N 2.67Å; E185-H191 PolarHBondContact O-CE1 2.96Å; E185-H191 PolarHBondContact O-ND1 3.47Å; E185-N200 PolarHBondContact OE2-OD1 2.91Å; E185-Y205 HydrophobicContact CB-CD1 3.49Å; E185-Y205 VanDerWaalsContact CB-CD1 3.49Å; E185-Y205 HydrophobicContact CB-CE1 4.25Å; E185-Y205 HydrophobicContact CB-CG 3.98Å; E185-Y205 HydrophobicContact CG-CD1 3.81Å; E185-Y205 HydrophobicContact CG-CE1 4.45Å
186C94.1Very high92.8Very high35 Ų3564 Ų6424%0.23637%0.373CS..G310 helixtrans-72.1-14.3176.4-57.80000113.9N184 I188 C198 L199 N200N184-C186 PolarHBondContact O-N 3.43Å; N184-C186 VanDerWaalsContact O-N 3.16Å; N184-C186 VanDerWaalsContact OD1-CB 3.28Å; N184-C186 WeakPolarHBondContact OD1-CB 3.04Å; N184-C186 PolarHBondContact OD1-N 3.04Å; C186-I188 PolarHBondContact O-N 3.23Å; C186-C198 WeakPolarHBondContact CA-SG 3.29Å; C186-C198 HydrophobicContact CB-CB 3.63Å; C186-C198 WeakPolarHBondContact CB-SG 3.42Å; C186-C198 WeakPolarHBondContact SG-CB 2.98Å; C186-C198 CovalentContact SG-SG 2.04Å; C186-C198 PolarHBondContact SG-SG 3.47Å; C186-L199 VanDerWaalsContact SG-C 3.53Å; C186-N200 PolarHBondContact SG-N 3.46Å; C186-N200 VanDerWaalsContact SG-N 3.45Å
187D92.8Very high92.8Very high125 Ų12566.1 Ų66.167%0.66838%0.38SS*.G310 helixtrans-73.5-16.9172-69.5-26000112N184 E185 P189N184-D187 WeakPolarHBondContact CB-OD2 3.18Å; N184-D187 PolarHBondContact ND2-OD1 3.19Å; N184-D187 PolarHBondContact ND2-OD2 2.97Å; N184-D187 PolarHBondContact O-N 2.83Å; N184-D187 VanDerWaalsContact O-N 3.14Å; E185-D187 PolarHBondContact O-N 2.03Å; D187-P189 WeakPolarHBondContact O-CD 3.01Å
188I87.5Confident92.9Very high96 Ų9661.2 Ų61.249%0.49236%0.36SS..SBendtrans-87.3117.1173.9-56.3169.8000108.4E185 C186 H191E185-I188 PolarHBondContact O-N 2.67Å; C186-I188 PolarHBondContact O-N 3.23Å; I188-H191 PolarHBondContact O-ND1 3.02Å
189P85.9Confident93Very high123 Ų12361 Ų6180%0.79936%0.363SS*.THydrogen-bonded Turntrans-66.3145.2-177.925.2-32.2000111.9D187D187-P189 WeakPolarHBondContact O-CD 3.01Å
190G85.9Confident93Very high55 Ų5564 Ų6457%0.56738%0.378SS*.THydrogen-bonded Turntrans93.25.1171.700000116.3Q193G190-Q193 PolarHBondContact O-NE2 2.84Å; G190-Q193 VanDerWaalsContact O-NE2 3.08Å
191H90.1Very high93Very high43 Ų4362 Ų6220%0.19937%0.371CS..SBendtrans-62.3-41.8174.3-91.5107.6000113.3E185 I188 Y205 Y217E185-H191 PolarHBondContact O-CE1 2.96Å; E185-H191 PolarHBondContact O-ND1 3.47Å; I188-H191 PolarHBondContact O-ND1 3.02Å; H191-Y205 HydrophobicContact CB-CD2 4.43Å; H191-Y205 HydrophobicContact CB-CE2 4.04Å; H191-Y205 AromaticContact CD2-CE1 3.62Å; H191-Y205 AromaticContact CD2-CE2 3.63Å; H191-Y205 AromaticContact CD2-CZ 3.21Å; H191-Y205 PolarHBondContact CD2-OH 2.81Å; H191-Y205 VanDerWaalsContact CD2-OH 3.24Å; H191-Y205 AromaticContact NE2-CE1 3.77Å; H191-Y205 AromaticContact NE2-CZ 3.84Å; H191-Y217 WeakPolarHBondContact O-CD1 3.02Å
192C93.8Very high92.9Very high22 Ų2263.9 Ų63.915%0.14938%0.384CS..SBendtrans-107.2124.3178.5-52.60000110.6G196 C198 C207C192-G196 WeakPolarHBondContact CB-O 3.32Å; C192-C198 VanDerWaalsContact SG-CA 3.58Å; C192-C198 VanDerWaalsContact SG-CB 3.56Å; C192-C207 WeakPolarHBondContact CA-SG 3.45Å; C192-C207 HydrophobicContact CB-CB 3.8Å; C192-C207 WeakPolarHBondContact CB-SG 3.4Å; C192-C207 WeakPolarHBondContact SG-CA 3.38Å; C192-C207 WeakPolarHBondContact SG-CB 3.22Å; C192-C207 CovalentContact SG-SG 2.04Å; C192-C207 PolarHBondContact SG-SG 2.85Å
193Q93.9Very high92.7Very high88 Ų8862.6 Ų62.641%0.41138%0.383SS..  trans-84.6164.8-179.1-59.7-61.7-31.400111.7G190 G195 G196 Y217 D219G190-Q193 PolarHBondContact O-NE2 2.84Å; G190-Q193 VanDerWaalsContact O-NE2 3.08Å; Q193-G195 PolarHBondContact O-N 3.28Å; Q193-G195 VanDerWaalsContact O-N 3.09Å; Q193-G196 PolarHBondContact O-N 3.05Å; Q193-Y217 VanDerWaalsContact CB-O 3.31Å; Q193-Y217 WeakPolarHBondContact CB-O 3.36Å; Q193-Y217 PolarHBondContact N-O 3.04Å; Q193-D219 HydrophobicContact CB-CB 4.47Å; Q193-D219 HydrophobicContact CG-CB 4.21Å
194H92.8Very high92.6Very high97 Ų9762.7 Ų62.745%0.44939%0.385SS..THydrogen-bonded Turntrans52.134.9172.7-51.7115.5000114.8G196 L210 F213 C218H194-G196 VanDerWaalsContact C-N 3.34Å; H194-L210 WeakPolarHBondContact O-CD1 3.33Å; H194-F213 HydrophobicContact CB-CD1 3.63Å; H194-F213 HydrophobicContact CB-CD2 3.94Å; H194-F213 HydrophobicContact CB-CE1 3.49Å; H194-F213 VanDerWaalsContact CB-CE1 3.49Å; H194-F213 HydrophobicContact CB-CE2 3.81Å; H194-F213 HydrophobicContact CB-CG 3.85Å; H194-F213 HydrophobicContact CB-CZ 3.59Å; H194-F213 AromaticContact CD2-CE1 3.57Å; H194-F213 AromaticContact CE1-CD1 3.97Å; H194-F213 AromaticContact CE1-CE1 3.82Å; H194-F213 AromaticContact CG-CD1 3.48Å; H194-F213 VanDerWaalsContact CG-CD1 3.48Å; H194-F213 AromaticContact CG-CE1 3.2Å; H194-F213 AromaticContact CG-CZ 3.74Å; H194-F213 AromaticContact ND1-CD1 3.29Å; H194-F213 VanDerWaalsContact ND1-CD1 3.29Å; H194-F213 WeakPolarHBondContact ND1-CD1 3.41Å; H194-F213 AromaticContact ND1-CE1 3.38Å; H194-F213 WeakPolarHBondContact ND1-CE1 3.04Å; H194-F213 AromaticContact NE2-CE1 3.94Å; H194-C218 PolarHBondContact ND1-O 3.11Å
195G90.6Very high92.6Very high55 Ų5561.9 Ų61.957%0.56738%0.379SS*.THydrogen-bonded Turntrans76.716.5178.800000114.8Q193Q193-G195 PolarHBondContact O-N 3.28Å; Q193-G195 VanDerWaalsContact O-N 3.09Å
196G92.5Very high92.7Very high14 Ų1465.3 Ų65.314%0.14439%0.394CS..PPolyproline II helixtrans-59.4144.8171.100000112.4C192 Q193 H194 Q208C192-G196 WeakPolarHBondContact CB-O 3.32Å; Q193-G196 PolarHBondContact O-N 3.05Å; H194-G196 VanDerWaalsContact C-N 3.34Å; G196-Q208 CarbonylContact C-O 3.45Å; G196-Q208 VanDerWaalsContact CA-O 3.24Å; G196-Q208 WeakPolarHBondContact CA-O 3.37Å
197T94Very high92.8Very high76 Ų7664.2 Ų64.247%0.46639%0.387SS..EExtended strand (participates in β ladder)trans-88.3126.4176.7-58.60000109.6Q208T197-Q208 PolarHBondContact N-O 3.15Å; T197-Q208 PolarHBondContact O-N 3.45Å
198C95.7Very high92.8Very high35 Ų3562 Ų6224%0.23637%0.373CS..EExtended strand (participates in β ladder)trans-83133.1175.9-171.80000110.7C186 C192C186-C198 WeakPolarHBondContact CA-SG 3.29Å; C186-C198 HydrophobicContact CB-CB 3.63Å; C186-C198 WeakPolarHBondContact CB-SG 3.42Å; C186-C198 WeakPolarHBondContact SG-CB 2.98Å; C186-C198 CovalentContact SG-SG 2.04Å; C186-C198 PolarHBondContact SG-SG 3.47Å; C192-C198 VanDerWaalsContact SG-CA 3.58Å; C192-C198 VanDerWaalsContact SG-CB 3.56Å
199L95.3Very high93.1Very high70 Ų7059.3 Ų59.337%0.36636%0.362SS..EExtended strand (participates in β ladder)trans-116.3119.3174.1-59.1176.4000108.9C186 Y205 Q206C186-L199 VanDerWaalsContact SG-C 3.53Å; L199-Y205 CarbonylContact O-C 3.58Å; L199-Y205 VanDerWaalsContact O-CA 3.32Å; L199-Y205 WeakPolarHBondContact O-CA 3.31Å; L199-Y205 WeakPolarHBondContact O-CB 3.12Å; L199-Q206 WeakPolarHBondContact CB-O 2.99Å; L199-Q206 PolarHBondContact N-O 3.15Å; L199-Q206 PolarHBondContact O-N 3.31Å
200N95.5Very high93.4Very high61 Ų6157.9 Ų57.933%0.32635%0.347SS..EExtended strand (participates in β ladder)trans-74.9135.1176.6-171.847.5000111.1D182 V183 N184 E185 C186D182-N200 PolarHBondContact OD2-ND2 3.3Å; V183-N200 PolarHBondContact O-OD1 3.5Å; N184-N200 WeakPolarHBondContact CA-OD1 3.48Å; N184-N200 WeakPolarHBondContact OD1-CB 3.38Å; E185-N200 PolarHBondContact OE2-OD1 2.91Å; C186-N200 PolarHBondContact SG-N 3.46Å; C186-N200 VanDerWaalsContact SG-N 3.45Å
201L94.9Very high93.6Very high64 Ų6461.4 Ų61.434%0.33535%0.349SS..EExtended strand (participates in β ladder)trans-129.3156.2177.9-59.8175.9000109.6G203 S204 Q206L201-G203 PolarHBondContact O-N 2.94Å; L201-S204 CarbonylContact C-O 3.5Å; L201-S204 VanDerWaalsContact C-O 3.26Å; L201-S204 VanDerWaalsContact CA-O 3.26Å; L201-S204 WeakPolarHBondContact CA-O 3.42Å; L201-S204 VanDerWaalsContact CB-O 3.3Å; L201-S204 WeakPolarHBondContact CB-O 3.29Å; L201-S204 PolarHBondContact N-O 3.01Å; L201-S204 CarbonylContact O-C 3.52Å; L201-S204 PolarHBondContact O-N 2.75Å; L201-Q206 HydrophobicContact CD1-CB 3.87Å
202P94Very high93.6Very high108 Ų10859.6 Ų59.670%0.70134%0.342SS*.THydrogen-bonded Turntrans-57.1113.3175.3-27.336.4000112.6D182 S204D182-P202 VanDerWaalsContact OD1-CA 3.27Å; D182-P202 WeakPolarHBondContact OD1-CA 3.4Å; P202-S204 VanDerWaalsContact C-N 3.27Å; P202-S204 PolarHBondContact O-N 2.82Å
203G92.8Very high93.6Very high22 Ų2261.1 Ų61.123%0.22735%0.346CS..THydrogen-bonded Turntrans71.512.2-179.700000115.3D182 L201D182-G203 PolarHBondContact OD1-N 2.81Å; L201-G203 PolarHBondContact O-N 2.94Å
204S94.3Very high93.5Very high51 Ų5159.6 Ų59.636%0.35734%0.343SS..EExtended strand (participates in β ladder)trans-166-178.5-179.767.40000112.5L201 P202L201-S204 CarbonylContact C-O 3.5Å; L201-S204 VanDerWaalsContact C-O 3.26Å; L201-S204 VanDerWaalsContact CA-O 3.26Å; L201-S204 WeakPolarHBondContact CA-O 3.42Å; L201-S204 VanDerWaalsContact CB-O 3.3Å; L201-S204 WeakPolarHBondContact CB-O 3.29Å; L201-S204 PolarHBondContact N-O 3.01Å; L201-S204 CarbonylContact O-C 3.52Å; L201-S204 PolarHBondContact O-N 2.75Å; P202-S204 VanDerWaalsContact C-N 3.27Å; P202-S204 PolarHBondContact O-N 2.82Å
205Y94.5Very high93.4Very high38 Ų3855.7 Ų55.715%0.14933%0.329CS..EExtended strand (participates in β ladder)trans-139.4164.6171.965.4-78.3000110.5E185 H191 L199 Y217E185-Y205 HydrophobicContact CB-CD1 3.49Å; E185-Y205 VanDerWaalsContact CB-CD1 3.49Å; E185-Y205 HydrophobicContact CB-CE1 4.25Å; E185-Y205 HydrophobicContact CB-CG 3.98Å; E185-Y205 HydrophobicContact CG-CD1 3.81Å; E185-Y205 HydrophobicContact CG-CE1 4.45Å; H191-Y205 HydrophobicContact CB-CD2 4.43Å; H191-Y205 HydrophobicContact CB-CE2 4.04Å; H191-Y205 AromaticContact CD2-CE1 3.62Å; H191-Y205 AromaticContact CD2-CE2 3.63Å; H191-Y205 AromaticContact CD2-CZ 3.21Å; H191-Y205 PolarHBondContact CD2-OH 2.81Å; H191-Y205 VanDerWaalsContact CD2-OH 3.24Å; H191-Y205 AromaticContact NE2-CE1 3.77Å; H191-Y205 AromaticContact NE2-CZ 3.84Å; L199-Y205 CarbonylContact O-C 3.58Å; L199-Y205 VanDerWaalsContact O-CA 3.32Å; L199-Y205 WeakPolarHBondContact O-CA 3.31Å; L199-Y205 WeakPolarHBondContact O-CB 3.12Å; Y205-Y217 WeakPolarHBondContact OH-CE1 3.49Å
206Q95.2Very high93.5Very high93 Ų9359 Ų5944%0.43533%0.33SS..EExtended strand (participates in β ladder)trans-131.9132.1174.9-176.4177-4.700110.4L199 L201L199-Q206 WeakPolarHBondContact CB-O 2.99Å; L199-Q206 PolarHBondContact N-O 3.15Å; L199-Q206 PolarHBondContact O-N 3.31Å; L201-Q206 HydrophobicContact CD1-CB 3.87Å
207C96.1Very high93.6Very high13 Ų1363.1 Ų63.19%0.08834%0.341CS..EExtended strand (participates in β ladder)trans-89.4126171.6-66.30000111.1C192 Q216 C218C192-C207 WeakPolarHBondContact CA-SG 3.45Å; C192-C207 HydrophobicContact CB-CB 3.8Å; C192-C207 WeakPolarHBondContact CB-SG 3.4Å; C192-C207 WeakPolarHBondContact SG-CA 3.38Å; C192-C207 WeakPolarHBondContact SG-CB 3.22Å; C192-C207 CovalentContact SG-SG 2.04Å; C192-C207 PolarHBondContact SG-SG 2.85Å; C207-Q216 WeakPolarHBondContact CB-O 3.36Å; C207-C218 VanDerWaalsContact CB-SG 3.58Å
208Q94.6Very high93.6Very high77 Ų7759.5 Ų59.536%0.3632%0.319SS..EExtended strand (participates in β ladder)trans-90.1111.2166.2-171.6173.154.600109.6G196 T197 R274G196-Q208 CarbonylContact C-O 3.45Å; G196-Q208 VanDerWaalsContact CA-O 3.24Å; G196-Q208 WeakPolarHBondContact CA-O 3.37Å; T197-Q208 PolarHBondContact N-O 3.15Å; T197-Q208 PolarHBondContact O-N 3.45Å; Q208-R274 PolarHBondContact NE2-OXT 3.15Å
209C93.5Very high93.5Very high41 Ų4161.7 Ų61.728%0.27733%0.329SS..PPolyproline II helixtrans-79.3142-175.3-52.70000112.8F213 C218C209-F213 HydrophobicContact CB-CB 4.19Å; C209-F213 WeakPolarHBondContact CB-O 3.48Å; C209-C218 WeakPolarHBondContact CA-SG 3.48Å; C209-C218 HydrophobicContact CB-CB 3.72Å; C209-C218 WeakPolarHBondContact CB-SG 3Å; C209-C218 PolarHBondContact N-SG 3.02Å; C209-C218 VanDerWaalsContact N-SG 3.45Å; C209-C218 WeakPolarHBondContact SG-CA 3.48Å; C209-C218 WeakPolarHBondContact SG-CB 3.22Å; C209-C218 CovalentContact SG-SG 2.04Å; C209-C218 PolarHBondContact SG-SG 3.47Å
210L92.5Very high93.3Very high92 Ų9265.2 Ų65.248%0.48234%0.337SS..PPolyproline II helixtrans-63.7157.4166.5-70.8179.4000110.6H194 G212 F213H194-L210 WeakPolarHBondContact O-CD1 3.33Å; L210-G212 PolarHBondContact O-N 3.32Å; L210-F213 HydrophobicContact CB-CD2 4.26Å; L210-F213 PolarHBondContact O-N 2.74Å; L210-F213 VanDerWaalsContact O-N 3.07Å
211Q89Confident93.1Very high130 Ų13068.4 Ų68.461%0.60735%0.353SS*.THydrogen-bonded Turntrans-56130.5176.9-176.6177.977.900110.2F242 W270Q211-F242 HydrophobicContact CG-CB 4.18Å; Q211-F242 HydrophobicContact CG-CD2 3.52Å; Q211-F242 HydrophobicContact CG-CE2 4.02Å; Q211-F242 HydrophobicContact CG-CG 3.86Å; Q211-W270 HydrophobicContact CG-CH2 4.35Å
212G90.8Very high92.8Very high4 Ų467.5 Ų67.54%0.04135%0.346CS..THydrogen-bonded Turntrans95.9-3.8-176.100000115.1L210 L221 Y222 F242L210-G212 PolarHBondContact O-N 3.32Å; G212-L221 CarbonylContact O-C 3.47Å; G212-L221 WeakPolarHBondContact O-CA 3.46Å; G212-Y222 PolarHBondContact O-N 3.42Å; G212-F242 VanDerWaalsContact CA-CD1 3.46Å
213F92.6Very high92.6Very high54 Ų5466 Ų6624%0.23734%0.335CS..EExtended strand (participates in β ladder)trans-122.1153.7176.6-60-82.6000112.4H194 C209 L210 C218 R220 L221H194-F213 HydrophobicContact CB-CD1 3.63Å; H194-F213 HydrophobicContact CB-CD2 3.94Å; H194-F213 HydrophobicContact CB-CE1 3.49Å; H194-F213 VanDerWaalsContact CB-CE1 3.49Å; H194-F213 HydrophobicContact CB-CE2 3.81Å; H194-F213 HydrophobicContact CB-CG 3.85Å; H194-F213 HydrophobicContact CB-CZ 3.59Å; H194-F213 AromaticContact CD2-CE1 3.57Å; H194-F213 AromaticContact CE1-CD1 3.97Å; H194-F213 AromaticContact CE1-CE1 3.82Å; H194-F213 AromaticContact CG-CD1 3.48Å; H194-F213 VanDerWaalsContact CG-CD1 3.48Å; H194-F213 AromaticContact CG-CE1 3.2Å; H194-F213 AromaticContact CG-CZ 3.74Å; H194-F213 AromaticContact ND1-CD1 3.29Å; H194-F213 VanDerWaalsContact ND1-CD1 3.29Å; H194-F213 WeakPolarHBondContact ND1-CD1 3.41Å; H194-F213 AromaticContact ND1-CE1 3.38Å; H194-F213 WeakPolarHBondContact ND1-CE1 3.04Å; H194-F213 AromaticContact NE2-CE1 3.94Å; C209-F213 HydrophobicContact CB-CB 4.19Å; C209-F213 WeakPolarHBondContact CB-O 3.48Å; L210-F213 HydrophobicContact CB-CD2 4.26Å; L210-F213 PolarHBondContact O-N 2.74Å; L210-F213 VanDerWaalsContact O-N 3.07Å; F213-C218 HydrophobicContact CB-CB 4.36Å; F213-R220 CarbonylContact C-O 3.6Å; F213-R220 VanDerWaalsContact CA-O 3.27Å; F213-R220 WeakPolarHBondContact CA-O 3.11Å; F213-L221 HydrophobicContact CD1-CD2 4.03Å; F213-L221 HydrophobicContact CE1-CD2 3.61Å; F213-L221 HydrophobicContact CZ-CD2 4.26Å
214T91.6Very high92.2Very high56 Ų5665.1 Ų65.134%0.34433%0.325SS..EExtended strand (participates in β ladder)trans-152.6171.7-178.8-165.70000111.4C218 D219 R220T214-C218 CarbonylContact O-C 3.54Å; T214-C218 WeakPolarHBondContact O-CA 3.47Å; T214-D219 PolarHBondContact O-N 3.49Å; T214-R220 HydrophobicContact CG2-CB 3.93Å; T214-R220 PolarHBondContact N-O 3.05Å; T214-R220 WeakPolarHBondContact O-CB 3.07Å; T214-R220 PolarHBondContact O-N 2.02Å
215G91.5Very high91.9Very high15 Ų1564.6 Ų64.616%0.15532%0.32CS..SBendtrans100.5165.4-173.700000113.1Y217 C218G215-Y217 PolarHBondContact O-N 3.04Å; G215-C218 PolarHBondContact O-N 3.11Å
216Q92.2Very high91.5Very high126 Ų12666 Ų6659%0.58934%0.34SS*.THydrogen-bonded Turntrans-59.4-32.1-179.3-178.6178.43.200112C207C207-Q216 WeakPolarHBondContact CB-O 3.36Å
217Y94.2Very high90.9Very high100 Ų10069.5 Ų69.539%0.39236%0.356SS..THydrogen-bonded Turntrans-108.87.4-178.5-52.9-84.7000112.9H191 Q193 Y205 G215 D219H191-Y217 WeakPolarHBondContact O-CD1 3.02Å; Q193-Y217 VanDerWaalsContact CB-O 3.31Å; Q193-Y217 WeakPolarHBondContact CB-O 3.36Å; Q193-Y217 PolarHBondContact N-O 3.04Å; Y205-Y217 WeakPolarHBondContact OH-CE1 3.49Å; G215-Y217 PolarHBondContact O-N 3.04Å; Y217-D219 PolarHBondContact O-N 3.13Å
218C94.8Very high90.2Very high0 Ų072.3 Ų72.30%038%0.376CS..SBendtrans56.828.4-172.9-510000114.4H194 C207 C209 F213 T214 G215H194-C218 PolarHBondContact ND1-O 3.11Å; C207-C218 VanDerWaalsContact CB-SG 3.58Å; C209-C218 WeakPolarHBondContact CA-SG 3.48Å; C209-C218 HydrophobicContact CB-CB 3.72Å; C209-C218 WeakPolarHBondContact CB-SG 3Å; C209-C218 PolarHBondContact N-SG 3.02Å; C209-C218 VanDerWaalsContact N-SG 3.45Å; C209-C218 WeakPolarHBondContact SG-CA 3.48Å; C209-C218 WeakPolarHBondContact SG-CB 3.22Å; C209-C218 CovalentContact SG-SG 2.04Å; C209-C218 PolarHBondContact SG-SG 3.47Å; F213-C218 HydrophobicContact CB-CB 4.36Å; T214-C218 CarbonylContact O-C 3.54Å; T214-C218 WeakPolarHBondContact O-CA 3.47Å; G215-C218 PolarHBondContact O-N 3.11Å
219D93.7Very high89.7Confident81 Ų8170.6 Ų70.643%0.43337%0.371SS..  trans-87.6-11.4-173.861.5-46.2000113.7Q193 T214 Y217Q193-D219 HydrophobicContact CB-CB 4.47Å; Q193-D219 HydrophobicContact CG-CB 4.21Å; T214-D219 PolarHBondContact O-N 3.49Å; Y217-D219 PolarHBondContact O-N 3.13Å
220R92Very high89.3Confident143 Ų14369.3 Ų69.354%0.5436%0.362SS..EExtended strand (participates in β ladder)trans-109.6144.1-177.7-58.4-178.9-64.1-177.52.2111.2F213 T214F213-R220 CarbonylContact C-O 3.6Å; F213-R220 VanDerWaalsContact CA-O 3.27Å; F213-R220 WeakPolarHBondContact CA-O 3.11Å; T214-R220 HydrophobicContact CG2-CB 3.93Å; T214-R220 PolarHBondContact N-O 3.05Å; T214-R220 WeakPolarHBondContact O-CB 3.07Å; T214-R220 PolarHBondContact O-N 2.02Å
221L90Very high89.1Confident128 Ų12867.7 Ų67.767%0.6736%0.356SS*.EExtended strand (participates in β ladder)trans-71.5137.5170.9-66.9171.8000110.7G212 F213 V223G212-L221 CarbonylContact O-C 3.47Å; G212-L221 WeakPolarHBondContact O-CA 3.46Å; F213-L221 HydrophobicContact CD1-CD2 4.03Å; F213-L221 HydrophobicContact CE1-CD2 3.61Å; F213-L221 HydrophobicContact CZ-CD2 4.26Å; L221-V223 PolarHBondContact O-N 3.11Å
222Y89.8Confident89Confident45 Ų4568 Ų6818%0.17636%0.362CS..  trans-76.3120.4173.3177.6-104.6000110.2G212 P224 F242 F244 W270G212-Y222 PolarHBondContact O-N 3.42Å; Y222-P224 HydrophobicContact CD1-CG 4.28Å; Y222-P224 HydrophobicContact CE1-CB 4.13Å; Y222-P224 HydrophobicContact CE1-CG 3.82Å; Y222-F242 HydrophobicContact CD1-CB 4.28Å; Y222-F242 HydrophobicContact CD1-CD1 4.4Å; Y222-F242 HydrophobicContact CE1-CB 4.47Å; Y222-F242 WeakPolarHBondContact CE1-O 3.46Å; Y222-F244 WeakPolarHBondContact OH-CE1 2.94Å; Y222-W270 AromaticContact CZ-NE1 3.58Å; Y222-W270 PolarHBondContact OH-NE1 3.44Å
223V89.3Confident88.5Confident78 Ų7870.3 Ų70.347%0.47339%0.386SS..  trans-114.4113.4173.8179.50000108.5L221 C225 A226L221-V223 PolarHBondContact O-N 3.11Å; V223-C225 PolarHBondContact O-N 3Å; V223-A226 HydrophobicContact CB-CB 3.68Å; V223-A226 HydrophobicContact CG1-CB 3.82Å; V223-A226 PolarHBondContact O-N 3.23Å; V223-A226 VanDerWaalsContact O-N 3.14Å
224P85Confident88.1Confident2 Ų268.1 Ų68.11%0.01338%0.378CS..THydrogen-bonded Turntrans-55.7-25.3-167.6-28.634.2000116.7Y222 Q238 F244Y222-P224 HydrophobicContact CD1-CG 4.28Å; Y222-P224 HydrophobicContact CE1-CB 4.13Å; Y222-P224 HydrophobicContact CE1-CG 3.82Å; P224-Q238 HydrophobicContact CB-CG 4.24Å; P224-Q238 HydrophobicContact CG-CG 4.01Å; P224-F244 HydrophobicContact CB-CB 3.79Å; P224-F244 HydrophobicContact CB-CD1 4.03Å; P224-F244 HydrophobicContact CB-CG 4.32Å
225C87.4Confident88Confident40 Ų4069.4 Ų69.427%0.2739%0.386SS..THydrogen-bonded Turntrans-124.714.3-179.9-62.60000114.2V223 H227 C236 R237 Q238V223-C225 PolarHBondContact O-N 3Å; C225-H227 VanDerWaalsContact C-N 3.31Å; C225-H227 PolarHBondContact O-N 3.35Å; C225-C236 VanDerWaalsContact CA-SG 3.52Å; C225-C236 HydrophobicContact CB-CB 3.79Å; C225-C236 WeakPolarHBondContact CB-SG 3.44Å; C225-C236 VanDerWaalsContact SG-C 3.5Å; C225-C236 WeakPolarHBondContact SG-CB 3.49Å; C225-C236 CovalentContact SG-SG 2.05Å; C225-C236 PolarHBondContact SG-SG 2.73Å; C225-R237 VanDerWaalsContact SG-C 3.6Å; C225-Q238 PolarHBondContact SG-N 2.94Å; C225-Q238 VanDerWaalsContact SG-N 3.43Å
226A86.2Confident87.9Confident67 Ų6769.9 Ų69.955%0.55439%0.387SS*.THydrogen-bonded Turntrans-63.5-37.9178.700000112.4V223V223-A226 HydrophobicContact CB-CB 3.68Å; V223-A226 HydrophobicContact CG1-CB 3.82Å; V223-A226 PolarHBondContact O-N 3.23Å; V223-A226 VanDerWaalsContact O-N 3.14Å
227H82.2Confident87.8Confident168 Ų16870.3 Ų70.378%0.77838%0.383SS*.SBendtrans-112.7138.4158.4-60.599.4000106.8C225 P229C225-H227 VanDerWaalsContact C-N 3.31Å; C225-H227 PolarHBondContact O-N 3.35Å; H227-P229 WeakPolarHBondContact O-CD 3.43Å; H227-P229 VanDerWaalsContact O-N 3.1Å
228S81.6Confident87.5Confident71 Ų7170.3 Ų70.350%0.49739%0.387SS..  trans-66.4111.6177.8-173.10000109.4C230 G234S228-C230 PolarHBondContact O-N 2.04Å; S228-C230 WeakPolarHBondContact OG-CB 3.32Å; S228-C230 PolarHBondContact OG-N 3.5Å; S228-G234 PolarHBondContact OG-O 2.91Å
229P82.9Confident87.3Confident41 Ų4173.9 Ų73.927%0.26641%0.409SS..  trans-75.2-3.9171.835.6-36.2000111.5H227 V231 C236 F244H227-P229 WeakPolarHBondContact O-CD 3.43Å; H227-P229 VanDerWaalsContact O-N 3.1Å; P229-V231 PolarHBondContact O-N 2.03Å; P229-C236 VanDerWaalsContact CD-SG 3.55Å; P229-F244 HydrophobicContact CB-CE1 4.31Å; P229-F244 HydrophobicContact CB-CE2 3.81Å; P229-F244 HydrophobicContact CB-CZ 3.64Å; P229-F244 HydrophobicContact CG-CD1 4.23Å; P229-F244 HydrophobicContact CG-CD2 3.51Å; P229-F244 HydrophobicContact CG-CE1 3.93Å; P229-F244 HydrophobicContact CG-CE2 3.15Å; P229-F244 HydrophobicContact CG-CG 4.06Å; P229-F244 HydrophobicContact CG-CZ 3.39Å
230C86.8Confident86.9Confident14 Ų1471.3 Ų71.310%0.09540%0.401CS..  trans-83.3115.6-174.5-53.40000110.3S228 G234 C236 C246S228-C230 PolarHBondContact O-N 2.04Å; S228-C230 WeakPolarHBondContact OG-CB 3.32Å; S228-C230 PolarHBondContact OG-N 3.5Å; C230-G234 VanDerWaalsContact CB-O 3.31Å; C230-G234 WeakPolarHBondContact CB-O 3.47Å; C230-C236 VanDerWaalsContact SG-CA 3.58Å; C230-C246 WeakPolarHBondContact CA-SG 3.04Å; C230-C246 HydrophobicContact CB-CB 3.71Å; C230-C246 WeakPolarHBondContact CB-SG 3.38Å; C230-C246 WeakPolarHBondContact SG-CA 3.18Å; C230-C246 WeakPolarHBondContact SG-CB 3.35Å; C230-C246 CovalentContact SG-SG 2.03Å; C230-C246 PolarHBondContact SG-SG 3.14Å
231V87.4Confident86.6Confident59 Ų5970.7 Ų70.736%0.35841%0.409SS..G310 helixtrans-65.2161.4174.4-60.70000112.2P229 G233 G234P229-V231 PolarHBondContact O-N 2.03Å; V231-G233 VanDerWaalsContact C-N 3.27Å; V231-G233 PolarHBondContact O-N 3.2Å; V231-G234 PolarHBondContact O-N 3.36Å
232N86.2Confident86.3Confident137 Ų13768 Ų6873%0.73339%0.392SS*.G310 helixtrans57.831.9176.2-56.3-37.9000115G234N232-G234 VanDerWaalsContact C-N 3.27Å; N232-G234 PolarHBondContact O-N 2.77Å
233G81.7Confident86.2Confident51 Ų5169.5 Ų69.553%0.52641%0.405SS..G310 helixtrans7120178.800000114.1V231 L249V231-G233 VanDerWaalsContact C-N 3.27Å; V231-G233 PolarHBondContact O-N 3.2Å; G233-L249 WeakPolarHBondContact O-CD1 3.5Å
234G84.2Confident86.1Confident8 Ų867.5 Ų67.58%0.08239%0.391CS..PPolyproline II helixtrans-60.1146.9173.400000112.3S228 C230 V231 N232 N247S228-G234 PolarHBondContact OG-O 2.91Å; C230-G234 VanDerWaalsContact CB-O 3.31Å; C230-G234 WeakPolarHBondContact CB-O 3.47Å; V231-G234 PolarHBondContact O-N 3.36Å; N232-G234 VanDerWaalsContact C-N 3.27Å; N232-G234 PolarHBondContact O-N 2.77Å; G234-N247 CarbonylContact C-O 3.5Å; G234-N247 VanDerWaalsContact CA-O 3.23Å; G234-N247 WeakPolarHBondContact CA-O 3.03Å
235T88.5Confident86.4Confident83 Ų8369.8 Ų69.851%0.50940%0.401SS..EExtended strand (participates in β ladder)trans-83.2125.2174.8-48.40000109.9N247T235-N247 PolarHBondContact N-O 2.83Å; T235-N247 PolarHBondContact O-N 2.77Å
236C90.1Very high86.4Confident26 Ų2668.8 Ų68.818%0.17639%0.394CS..EExtended strand (participates in β ladder)trans-82.8135.7175.3-172.30000111.1C225 P229 C230C225-C236 VanDerWaalsContact CA-SG 3.52Å; C225-C236 HydrophobicContact CB-CB 3.79Å; C225-C236 WeakPolarHBondContact CB-SG 3.44Å; C225-C236 VanDerWaalsContact SG-C 3.5Å; C225-C236 WeakPolarHBondContact SG-CB 3.49Å; C225-C236 CovalentContact SG-SG 2.05Å; C225-C236 PolarHBondContact SG-SG 2.73Å; P229-C236 VanDerWaalsContact CD-SG 3.55Å; C230-C236 VanDerWaalsContact SG-CA 3.58Å
237R90.4Very high86.5Confident134 Ų13469 Ų6951%0.50639%0.386SS..EExtended strand (participates in β ladder)trans-126.8122.1169.9-177.618070.4162.42.3109.7C225 T239 F244 E245C225-R237 VanDerWaalsContact SG-C 3.6Å; R237-T239 PolarHBondContact O-N 3.29Å; R237-F244 CarbonylContact O-C 3.34Å; R237-F244 VanDerWaalsContact O-CA 3.29Å; R237-F244 WeakPolarHBondContact O-CA 3.15Å; R237-E245 IonicContact CZ-OE2 3.98Å; R237-E245 PolarHBondContact N-O 2.79Å; R237-E245 IonicContact NE-OE2 3.34Å; R237-E245 IonicContact NH2-OE2 2.91Å; R237-E245 PolarHBondContact NH2-OE2 3.25Å; R237-E245 PolarHBondContact O-N 3.16Å
238Q88.3Confident86.4Confident101 Ų10163.5 Ų63.547%0.47237%0.366SS..EExtended strand (participates in β ladder)trans-67.1131.1172.2-175.5170.26.300110.1P224 C225 G240P224-Q238 HydrophobicContact CB-CG 4.24Å; P224-Q238 HydrophobicContact CG-CG 4.01Å; C225-Q238 PolarHBondContact SG-N 2.94Å; C225-Q238 VanDerWaalsContact SG-N 3.43Å; Q238-G240 WeakPolarHBondContact CG-O 3.46Å; Q238-G240 PolarHBondContact NE2-O 3.36Å
239T88.8Confident86Confident74 Ų7464.1 Ų64.145%0.45436%0.363SS..  trans-116.1-8.3-178.854.70000113.6R237 T243 F244 E245R237-T239 PolarHBondContact O-N 3.29Å; T239-T243 PolarHBondContact N-O 2.88Å; T239-T243 PolarHBondContact OG1-O 2.82Å; T239-T243 PolarHBondContact OG1-OG1 2.74Å; T239-T243 VanDerWaalsContact OG1-OG1 3.06Å; T239-F244 PolarHBondContact OG1-N 2.74Å; T239-E245 HydrophobicContact CG2-CB 3.8Å
240G86.5Confident85.3Confident27 Ų2767.3 Ų67.328%0.27838%0.384SS..SBendtrans-170.3-175.2176.600000110.6Q238 F242 T243Q238-G240 WeakPolarHBondContact CG-O 3.46Å; Q238-G240 PolarHBondContact NE2-O 3.36Å; G240-F242 PolarHBondContact O-N 2.81Å; G240-T243 WeakPolarHBondContact CA-OG1 3Å; G240-T243 PolarHBondContact N-O 3.4Å; G240-T243 PolarHBondContact N-OG1 2.92Å; G240-T243 VanDerWaalsContact N-OG1 3.09Å
241D84.8Confident83.8Confident130 Ų13075.7 Ų75.770%0.69542%0.422SS*.SBendtrans-55.4-39.8-176-61.7-28.2000112
242F85.2Confident81.9Confident72 Ų7276.4 Ų76.432%0.31643%0.426SS..SBendtrans-127.48.2-178.6-43.4-58.3000113.8Q211 G212 Y222 G240Q211-F242 HydrophobicContact CG-CB 4.18Å; Q211-F242 HydrophobicContact CG-CD2 3.52Å; Q211-F242 HydrophobicContact CG-CE2 4.02Å; Q211-F242 HydrophobicContact CG-CG 3.86Å; G212-F242 VanDerWaalsContact CA-CD1 3.46Å; Y222-F242 HydrophobicContact CD1-CB 4.28Å; Y222-F242 HydrophobicContact CD1-CD1 4.4Å; Y222-F242 HydrophobicContact CE1-CB 4.47Å; Y222-F242 WeakPolarHBondContact CE1-O 3.46Å; G240-F242 PolarHBondContact O-N 2.81Å
243T87.2Confident80.3Confident76 Ų7672.6 Ų72.647%0.46641%0.408SS..  trans-114.4146.4-176.160.70000111.7T239 G240T239-T243 PolarHBondContact N-O 2.88Å; T239-T243 PolarHBondContact OG1-O 2.82Å; T239-T243 PolarHBondContact OG1-OG1 2.74Å; T239-T243 VanDerWaalsContact OG1-OG1 3.06Å; G240-T243 WeakPolarHBondContact CA-OG1 3Å; G240-T243 PolarHBondContact N-O 3.4Å; G240-T243 PolarHBondContact N-OG1 2.92Å; G240-T243 VanDerWaalsContact N-OG1 3.09Å
244F87.7Confident78.9Confident36 Ų3682 Ų8216%0.15843%0.428CS..EExtended strand (participates in β ladder)trans-138.5163.8176.364.4-85.4000111.7Y222 P224 P229 R237 T239 A266Y222-F244 WeakPolarHBondContact OH-CE1 2.94Å; P224-F244 HydrophobicContact CB-CB 3.79Å; P224-F244 HydrophobicContact CB-CD1 4.03Å; P224-F244 HydrophobicContact CB-CG 4.32Å; P229-F244 HydrophobicContact CB-CE1 4.31Å; P229-F244 HydrophobicContact CB-CE2 3.81Å; P229-F244 HydrophobicContact CB-CZ 3.64Å; P229-F244 HydrophobicContact CG-CD1 4.23Å; P229-F244 HydrophobicContact CG-CD2 3.51Å; P229-F244 HydrophobicContact CG-CE1 3.93Å; P229-F244 HydrophobicContact CG-CE2 3.15Å; P229-F244 HydrophobicContact CG-CG 4.06Å; P229-F244 HydrophobicContact CG-CZ 3.39Å; R237-F244 CarbonylContact O-C 3.34Å; R237-F244 VanDerWaalsContact O-CA 3.29Å; R237-F244 WeakPolarHBondContact O-CA 3.15Å; T239-F244 PolarHBondContact OG1-N 2.74Å; F244-A266 HydrophobicContact CE2-CB 3.73Å; F244-A266 HydrophobicContact CZ-CB 4Å
245E90.7Very high77.3Confident51 Ų5186 Ų8624%0.23845%0.447CS..EExtended strand (participates in β ladder)trans-127.9136.1171.5-174.6175.7-162.600110R237 T239 K263R237-E245 IonicContact CZ-OE2 3.98Å; R237-E245 PolarHBondContact N-O 2.79Å; R237-E245 IonicContact NE-OE2 3.34Å; R237-E245 IonicContact NH2-OE2 2.91Å; R237-E245 PolarHBondContact NH2-OE2 3.25Å; R237-E245 PolarHBondContact O-N 3.16Å; T239-E245 HydrophobicContact CG2-CB 3.8Å; E245-K263 WeakPolarHBondContact OE1-CE 3.48Å; E245-K263 IonicContact OE1-NZ 2.71Å; E245-K263 PolarHBondContact OE1-NZ 2.85Å
246C87.4Confident75.6Confident18 Ų1891.1 Ų91.112%0.12246%0.462CS..EExtended strand (participates in β ladder)trans-99.4129176.7-69.70000111.7C230C230-C246 WeakPolarHBondContact CA-SG 3.04Å; C230-C246 HydrophobicContact CB-CB 3.71Å; C230-C246 WeakPolarHBondContact CB-SG 3.38Å; C230-C246 WeakPolarHBondContact SG-CA 3.18Å; C230-C246 WeakPolarHBondContact SG-CB 3.35Å; C230-C246 CovalentContact SG-SG 2.03Å; C230-C246 PolarHBondContact SG-SG 3.14Å
247N87Confident73.8Confident73 Ų7399.8 Ų99.839%0.3949%0.491SS..EExtended strand (participates in β ladder)trans-108.4122.9174.9-69-26.6000110.5G234 T235G234-N247 CarbonylContact C-O 3.5Å; G234-N247 VanDerWaalsContact CA-O 3.23Å; G234-N247 WeakPolarHBondContact CA-O 3.03Å; T235-N247 PolarHBondContact N-O 2.83Å; T235-N247 PolarHBondContact O-N 2.77Å
248C80.7Confident71.7Confident52 Ų5297.7 Ų97.735%0.35149%0.49SS..  trans-72138.4176.4-550000111.4V253C248-V253 HydrophobicContact CB-CG2 4.36Å
249L73.8Confident69.9Low83 Ų83101.3 Ų101.344%0.43550%0.499SS..  trans-64.3142.2170.1-69.6166.8000110.4G233 E251 T252G233-L249 WeakPolarHBondContact O-CD1 3.5Å; L249-E251 PolarHBondContact O-N 2.6Å; L249-E251 VanDerWaalsContact O-N 3.08Å; L249-T252 PolarHBondContact O-N 2.78Å; L249-T252 PolarHBondContact O-OG1 3.41Å
250P67.7Low68.1Low108 Ų108100.6 Ų100.670%0.70150%0.501SS*.G310 helixtrans-56.9-29.1-172.919.3-30.3000113.8T252 V253P250-T252 VanDerWaalsContact C-N 3.34Å; P250-T252 PolarHBondContact O-N 3.26Å; P250-V253 PolarHBondContact O-N 2.95Å
251E54.7Low66.3Low191 Ų191104 Ų10489%0.89351%0.512SS*.G310 helixtrans-75.8-16.2-175.8-60-165.3169.500114.7L249L249-E251 PolarHBondContact O-N 2.6Å; L249-E251 VanDerWaalsContact O-N 3.08Å
252T49Very low64.5Low73 Ų7398.7 Ų98.745%0.44849%0.489SS..G310 helixtrans-89.6-2.8173.758.80000113.1L249 P250 R254L249-T252 PolarHBondContact O-N 2.78Å; L249-T252 PolarHBondContact O-OG1 3.41Å; P250-T252 VanDerWaalsContact C-N 3.34Å; P250-T252 PolarHBondContact O-N 3.26Å; T252-R254 VanDerWaalsContact C-N 3.33Å; T252-R254 PolarHBondContact O-N 2.84Å
253V51.5Low62.9Low57 Ų57101 Ų10135%0.34550%0.498SS..  trans-9455.9-177.7-161.40000110.6C248 P250 N255C248-V253 HydrophobicContact CB-CG2 4.36Å; P250-V253 PolarHBondContact O-N 2.95Å; V253-N255 PolarHBondContact O-N 2.85Å
254R51.9Low61.1Low250 Ų250106.2 Ų106.294%0.94351%0.51SS*.SBendtrans-75.6-3.2160.8-143.6-179-174.5-161.51.9112.4T252T252-R254 VanDerWaalsContact C-N 3.33Å; T252-R254 PolarHBondContact O-N 2.84Å
255N51.2Low59.1Low92 Ų92108.4 Ų108.449%0.49252%0.52SS..  trans-148.9117.3173-160.6-17.3000113V253 R257 N258V253-N255 PolarHBondContact O-N 2.85Å; N255-R257 PolarHBondContact O-N 2.8Å; N255-R257 PolarHBondContact OD1-N 2.73Å; N255-N258 PolarHBondContact O-N 2.86Å
256K53Low57Low190 Ų190106.8 Ų106.883%0.82652%0.516SS*.THydrogen-bonded Turntrans-55.4-20.6176.4-76.7179.9178.2176.50113.5N258 R259K256-N258 VanDerWaalsContact C-N 3.28Å; K256-N258 PolarHBondContact O-N 3.17Å; K256-R259 PolarHBondContact O-N 2.89Å
257R53.1Low55.2Low207 Ų207109.9 Ų109.978%0.78154%0.537SS*.THydrogen-bonded Turntrans-62.9-28.4173.6-104.5178.8176.8176.5-0.6113.7N255N255-R257 PolarHBondContact O-N 2.8Å; N255-R257 PolarHBondContact OD1-N 2.73Å
258N46.1Very low53Low91 Ų91111.8 Ų111.849%0.48755%0.547SS..Hα-helixtrans-78.4-18.4-178.3-80.54.5000114.3N255 K256 A260 L261 G262N255-N258 PolarHBondContact O-N 2.86Å; K256-N258 VanDerWaalsContact C-N 3.28Å; K256-N258 PolarHBondContact O-N 3.17Å; N258-A260 VanDerWaalsContact C-N 3.27Å; N258-A260 PolarHBondContact O-N 2.03Å; N258-L261 PolarHBondContact O-N 2.81Å; N258-L261 VanDerWaalsContact O-N 3.15Å; N258-G262 PolarHBondContact O-N 2.84Å
259R50.4Low51.3Low177 Ų177113.7 Ų113.767%0.66855%0.551SS**Hα-helixtrans-64.6-32.5178.5-146.6179.4-161.1-170.55.6112.1K256K256-R259 PolarHBondContact O-N 2.89Å
260A50.5Low50.1Low58 Ų58113.5 Ų113.548%0.47954%0.544SS..Hα-helixtrans-79.6-31174.400000112.6N258 R264N258-A260 VanDerWaalsContact C-N 3.27Å; N258-A260 PolarHBondContact O-N 2.03Å; A260-R264 WeakPolarHBondContact O-CG 3.38Å; A260-R264 PolarHBondContact O-N 3.15Å
261L49.3Very low49.1Very low98 Ų98115.3 Ų115.351%0.51354%0.541SS..Hα-helixtrans-66.1-44.5176.5-136.588.9000110.8N258 K263 R264 Q265N258-L261 PolarHBondContact O-N 2.81Å; N258-L261 VanDerWaalsContact O-N 3.15Å; L261-K263 VanDerWaalsContact C-N 3.35Å; L261-K263 PolarHBondContact O-N 3.46Å; L261-R264 PolarHBondContact O-N 3.32Å; L261-R264 VanDerWaalsContact O-N 3.14Å; L261-Q265 PolarHBondContact O-N 2.89Å
262G46.8Very low48.5Very low20 Ų20117 Ų11721%0.20654%0.539CS..Hα-helixtrans-62.2-35.8177.700000114.1N258N258-G262 PolarHBondContact O-N 2.84Å
263K50.7Low48.3Very low119 Ų119119.3 Ų119.352%0.51755%0.554SS.*Hα-helixtrans-70.5-34173.7-72.3-169172.2-154.60113E245 L261E245-K263 WeakPolarHBondContact OE1-CE 3.48Å; E245-K263 IonicContact OE1-NZ 2.71Å; E245-K263 PolarHBondContact OE1-NZ 2.85Å; L261-K263 VanDerWaalsContact C-N 3.35Å; L261-K263 PolarHBondContact O-N 3.46Å
264R48.9Very low47.9Very low187 Ų187124.2 Ų124.271%0.70657%0.566SS**Hα-helixtrans-76.8-34.3179.7-74.3-179.4-175.8-134.20.4112.8A260 L261 S267 L268A260-R264 WeakPolarHBondContact O-CG 3.38Å; A260-R264 PolarHBondContact O-N 3.15Å; L261-R264 PolarHBondContact O-N 3.32Å; L261-R264 VanDerWaalsContact O-N 3.14Å; R264-S267 PolarHBondContact O-N 3.27Å; R264-L268 WeakPolarHBondContact O-CG 3.44Å; R264-L268 PolarHBondContact O-N 2.88Å
265Q47.2Very low47.7Very low82 Ų82117.9 Ų117.938%0.38355%0.547SS..Hα-helixtrans-69.2-40-176.1-136.5148.5-53.400112.6L261 S267 L268 E269L261-Q265 PolarHBondContact O-N 2.89Å; Q265-S267 VanDerWaalsContact C-N 3.26Å; Q265-S267 PolarHBondContact O-N 2.04Å; Q265-L268 PolarHBondContact O-N 3.44Å; Q265-E269 PolarHBondContact O-N 3.02Å
266A46.9Very low47.5Very low17 Ų17119.3 Ų119.314%0.1455%0.55CS..Hα-helixtrans-58.5-34.2175.300000113.7F244F244-A266 HydrophobicContact CE2-CB 3.73Å; F244-A266 HydrophobicContact CZ-CB 4Å
267S49.1Very low47.2Very low83 Ų83115.3 Ų115.358%0.5853%0.534SS*.Hα-helixtrans-77.8-28.1177-168.10000112.7R264 Q265R264-S267 PolarHBondContact O-N 3.27Å; Q265-S267 VanDerWaalsContact C-N 3.26Å; Q265-S267 PolarHBondContact O-N 2.04Å
268L41.5Very low46.8Very low113 Ų113109.9 Ų109.959%0.59252%0.52SS*.Hα-helixtrans-82.5-35.8-179.9-71.7165.6000112.6R264 Q265 W270 K271 R272R264-L268 WeakPolarHBondContact O-CG 3.44Å; R264-L268 PolarHBondContact O-N 2.88Å; Q265-L268 PolarHBondContact O-N 3.44Å; L268-W270 VanDerWaalsContact C-N 3.29Å; L268-W270 PolarHBondContact O-N 3.13Å; L268-K271 PolarHBondContact O-N 2.04Å; L268-R272 PolarHBondContact O-N 2.97Å
269E44.6Very low46.9Very low91 Ų91111.1 Ų111.143%0.42552%0.522SS..Hα-helixtrans-63.4-34.9175.7-83.5173.2109.500112Q265 K271 R272 T273Q265-E269 PolarHBondContact O-N 3.02Å; E269-K271 PolarHBondContact O-N 3.38Å; E269-R272 PolarHBondContact O-N 3.49Å; E269-T273 PolarHBondContact O-N 3.09Å; E269-T273 PolarHBondContact O-OG1 3.32Å
270W47.6Very low46.6Very low79 Ų79106.7 Ų106.730%0.29951%0.512SS..Hα-helixtrans-68.3-13.6173.4-138.587.3000114.1Q211 Y222 L268 R274Q211-W270 HydrophobicContact CG-CH2 4.35Å; Y222-W270 AromaticContact CZ-NE1 3.58Å; Y222-W270 PolarHBondContact OH-NE1 3.44Å; L268-W270 VanDerWaalsContact C-N 3.29Å; L268-W270 PolarHBondContact O-N 3.13Å; W270-R274 VanDerWaalsContact CE3-NH2 3.34Å; W270-R274 PolarHBondContact O-NE 3.03Å; W270-R274 VanDerWaalsContact O-NE 3.13Å
271K46.8Very low46.3Very low146 Ų146110.2 Ų110.264%0.63551%0.514SS*.Hα-helixtrans-92.8-18.5169.5-79.8-172.6176.7-174.90112.9L268 E269L268-K271 PolarHBondContact O-N 2.04Å; E269-K271 PolarHBondContact O-N 3.38Å
272R43.5Very low46.1Very low227 Ų227111.2 Ų111.286%0.85752%0.515SS*.Hα-helixtrans-92.6-21.1-172-147.8176.7-169-178.92113.5L268 E269L268-R272 PolarHBondContact O-N 2.97Å; E269-R272 PolarHBondContact O-N 3.49Å
273T44.4Very low46.1Very low122 Ų122118.8 Ų118.875%0.74854%0.54SS*.  trans-95.211.6172.443.90000113.5E269E269-T273 PolarHBondContact O-N 3.09Å; E269-T273 PolarHBondContact O-OG1 3.32Å
274R41.6Very low45.6Very low159 Ų159118.7 Ų118.760%0.654%0.542SS*.  trans-96.90176.6-95.6-163.5-95-172-5.8113.2Q208 W270Q208-R274 PolarHBondContact NE2-OXT 3.15Å; W270-R274 VanDerWaalsContact CE3-NH2 3.34Å; W270-R274 PolarHBondContact O-NE 3.03Å; W270-R274 VanDerWaalsContact O-NE 3.13Å

Retrieved 274 of 274 residues in 108.1 ms (Link to these results)