A0A3Q0KHW9_SCHMA Loading...

Matrin-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KHW9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 357 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
1M47.2Very low56Low216 Ų216154.8 Ų154.8100%1.06481%0.813SS**  01130-82.254.2-177.300106.8
2D47.9Very low56.8Low130 Ų130148.8 Ų148.870%0.69582%0.817SS**  trans43105.4-177.5-138.9-24.4000119.7Q4D2-Q4 PolarHBondContact OD1-N 3.46Å
3F56.1Low57.2Low186 Ų186141.3 Ų141.382%0.81678%0.782SS**  trans-113.61.5-176.7-73.9-86000113.4
4Q65.1Low57.6Low166 Ų166136.4 Ų136.478%0.77678%0.779SS**THydrogen-bonded Turntrans-89.6-8.5-168.3-100.1103.2-1.900116.3D2D2-Q4 PolarHBondContact OD1-N 3.46Å
5H60.4Low58Low176 Ų176132 Ų13282%0.81578%0.776SS**THydrogen-bonded Turntrans-11921-177-67.4146.6000115.9
6R55.8Low58.6Low236 Ų236132.3 Ų132.389%0.89178%0.779SS**  trans-94.7105.7172-84.1-172.2-179.6-165.21.1111.3G8R6-G8 PolarHBondContact O-N 3.45Å
7V58.1Low59.1Low140 Ų140128.2 Ų128.285%0.84876%0.763SS**  trans-56.598.6165.4-81.20000111.1G9V7-G9 PolarHBondContact O-N 3.02Å
8G52.2Low60.4Low72 Ų72124 Ų12474%0.74274%0.742SS**  64.623128.300000120.2R6 K10R6-G8 PolarHBondContact O-N 3.45Å; G8-K10 PolarHBondContact O-N 3.47Å
9G59Low61.6Low61 Ų61125.8 Ų125.863%0.62974%0.741SS**  trans-76.298.9169.100000111.5V7V7-G9 PolarHBondContact O-N 3.02Å
10K59.9Low62.8Low163 Ų163122 Ų12271%0.70973%0.725SS**  trans-65.5135.817220.9173.2178-169.50109.4G8 G12 S13G8-K10 PolarHBondContact O-N 3.47Å; K10-G12 PolarHBondContact O-N 3.37Å; K10-G12 VanDerWaalsContact O-N 3.09Å; K10-S13 PolarHBondContact O-N 3.42Å; K10-S13 PolarHBondContact O-OG 3.5Å; K10-S13 VanDerWaalsContact O-OG 3.1Å
11T54.5Low63.9Low157 Ų157120.7 Ų120.796%0.96371%0.712SS**THydrogen-bonded Turntrans-54117.6174-172.50000109.2
12G65.2Low65.8Low83 Ų83112.6 Ų112.686%0.85668%0.679SS**THydrogen-bonded Turntrans98.2-7.8-172.700000116.8K10 G14K10-G12 PolarHBondContact O-N 3.37Å; K10-G12 VanDerWaalsContact O-N 3.09Å; G12-G14 PolarHBondContact O-N 3.24Å
13S62.2Low67.6Low51 Ų51110.1 Ų110.136%0.35767%0.666SS.*SBendtrans-83.3112.3165.5720000109.1K10 G15K10-S13 PolarHBondContact O-N 3.42Å; K10-S13 PolarHBondContact O-OG 3.5Å; K10-S13 VanDerWaalsContact O-OG 3.1Å; S13-G15 PolarHBondContact O-N 3.11Å
14G62.6Low69.1Low72 Ų72108.8 Ų108.874%0.74266%0.655SS**  trans-42.4134.2170.500000110.4G12G12-G14 PolarHBondContact O-N 3.24Å
15G63.2Low70.2Confident71 Ų71105.9 Ų105.973%0.73265%0.645SS**  trans-47.9143.1-170.100000112.4S13 A17S13-G15 PolarHBondContact O-N 3.11Å; G15-A17 PolarHBondContact O-N 3.12Å
16V67.8Low71.5Confident136 Ų136105.6 Ų105.682%0.82464%0.637SS**  trans-52115.2173.8-162.30000106.8S18V16-S18 PolarHBondContact O-N 3.14Å
17A67.9Low72.9Confident63 Ų63103.8 Ų103.852%0.52163%0.63SS.*  trans-50.7133.8-177.800000108.8G15 E21G15-A17 PolarHBondContact O-N 3.12Å; A17-E21 HydrophobicContact CB-CB 4.11Å
18S81.7Confident74.2Confident53 Ų53103.8 Ų103.837%0.37162%0.621SS.*  trans-58.7152.6176.282.30000109V16 A20 E21 A22V16-S18 PolarHBondContact O-N 3.14Å; S18-A20 PolarHBondContact O-N 2.71Å; S18-A20 PolarHBondContact OG-N 3.33Å; S18-E21 VanDerWaalsContact CB-OE2 3.22Å; S18-E21 WeakPolarHBondContact CB-OE2 3.09Å; S18-E21 PolarHBondContact O-N 2.72Å; S18-E21 VanDerWaalsContact OG-CD 3.3Å; S18-E21 PolarHBondContact OG-N 3.43Å; S18-E21 PolarHBondContact OG-OE2 3.31Å; S18-A22 PolarHBondContact O-N 2.95Å
19E82.7Confident76Confident158 Ų158108.7 Ų108.774%0.73862%0.617SS**Hα-helixtrans-52.8-31177.1-170.8-177.216600111.8N23E19-N23 VanDerWaalsContact O-CB 3.29Å; E19-N23 WeakPolarHBondContact O-CB 2.99Å; E19-N23 VanDerWaalsContact O-CG 3.24Å; E19-N23 PolarHBondContact O-N 3.01Å; E19-N23 PolarHBondContact O-ND2 2.87Å
20A86.6Confident77.2Confident49 Ų49111 Ų11141%0.40561%0.614SS.*Hα-helixtrans-67.9-42.9174.600000113S18 R24S18-A20 PolarHBondContact O-N 2.71Å; S18-A20 PolarHBondContact OG-N 3.33Å; A20-R24 WeakPolarHBondContact O-CG 3.44Å; A20-R24 PolarHBondContact O-N 3.26Å
21E86.4Confident78.3Confident96 Ų96107.3 Ų107.345%0.44960%0.596SS.*Hα-helixtrans-64.7-45173.8-89.879.9-121.800111.4A17 S18 N23 R24 D25A17-E21 HydrophobicContact CB-CB 4.11Å; S18-E21 VanDerWaalsContact CB-OE2 3.22Å; S18-E21 WeakPolarHBondContact CB-OE2 3.09Å; S18-E21 PolarHBondContact O-N 2.72Å; S18-E21 VanDerWaalsContact OG-CD 3.3Å; S18-E21 PolarHBondContact OG-N 3.43Å; S18-E21 PolarHBondContact OG-OE2 3.31Å; E21-N23 VanDerWaalsContact C-N 3.3Å; E21-N23 PolarHBondContact O-N 2.79Å; E21-R24 PolarHBondContact O-N 2.88Å; E21-R24 IonicContact OE1-NH1 3.83Å; E21-R24 PolarHBondContact OE1-NH1 3.06Å; E21-R24 VanDerWaalsContact OE1-NH1 3.07Å; E21-D25 PolarHBondContact O-N 3.48Å
22A85.9Confident79.8Confident46 Ų46104.6 Ų104.638%0.3857%0.572SS.*Hα-helixtrans-62-37.4178.800000112.3S18 R26S18-A22 PolarHBondContact O-N 2.95Å; A22-R26 VanDerWaalsContact O-CB 3.31Å; A22-R26 WeakPolarHBondContact O-CB 3.47Å; A22-R26 PolarHBondContact O-N 2.89Å
23N87.3Confident80.8Confident78 Ų78105 Ų10542%0.41755%0.554SS.*Hα-helixtrans-72-33.1176.1-77.8-25.9000113.1E19 E21 R27E19-N23 VanDerWaalsContact O-CB 3.29Å; E19-N23 WeakPolarHBondContact O-CB 2.99Å; E19-N23 VanDerWaalsContact O-CG 3.24Å; E19-N23 PolarHBondContact O-N 3.01Å; E19-N23 PolarHBondContact O-ND2 2.87Å; E21-N23 VanDerWaalsContact C-N 3.3Å; E21-N23 PolarHBondContact O-N 2.79Å; N23-R27 WeakPolarHBondContact O-CB 2.98Å; N23-R27 PolarHBondContact O-N 2.96Å; N23-R27 VanDerWaalsContact O-N 3.1Å
24R85.7Confident81.8Confident157 Ų157104 Ų10459%0.59255%0.549SS*.Hα-helixtrans-66.4-49.8172.9-75.8179.9-171.5123.7-1111A20 E21 R26 R27 E28A20-R24 WeakPolarHBondContact O-CG 3.44Å; A20-R24 PolarHBondContact O-N 3.26Å; E21-R24 PolarHBondContact O-N 2.88Å; E21-R24 IonicContact OE1-NH1 3.83Å; E21-R24 PolarHBondContact OE1-NH1 3.06Å; E21-R24 VanDerWaalsContact OE1-NH1 3.07Å; R24-R26 VanDerWaalsContact C-N 3.34Å; R24-R26 PolarHBondContact O-N 3.09Å; R24-R27 PolarHBondContact O-N 3.17Å; R24-R27 VanDerWaalsContact O-N 3.11Å; R24-E28 PolarHBondContact O-N 2.95Å
25D88.6Confident82.7Confident105 Ų105102 Ų10256%0.56152%0.521SS*.Hα-helixtrans-58-45.7176.8178.969.7000111.5E21 R27 E28 R29E21-D25 PolarHBondContact O-N 3.48Å; D25-R27 VanDerWaalsContact C-N 3.32Å; D25-R27 PolarHBondContact O-N 2.9Å; D25-E28 PolarHBondContact O-N 3.33Å; D25-R29 VanDerWaalsContact O-CB 3.31Å; D25-R29 WeakPolarHBondContact O-CB 3.48Å; D25-R29 PolarHBondContact O-N 2.87Å
26R87.9Confident83.6Confident171 Ų171104 Ų10465%0.64552%0.515SS*.Hα-helixtrans-57.5-43.8174.9-176-173.3-73.6-129.62.4112.1A22 R24 L30A22-R26 VanDerWaalsContact O-CB 3.31Å; A22-R26 WeakPolarHBondContact O-CB 3.47Å; A22-R26 PolarHBondContact O-N 2.89Å; R24-R26 VanDerWaalsContact C-N 3.34Å; R24-R26 PolarHBondContact O-N 3.09Å; R26-L30 HydrophobicContact CG-CD1 4.34Å; R26-L30 WeakPolarHBondContact O-CG 3.43Å; R26-L30 PolarHBondContact O-N 3.42Å
27R84.9Confident84.3Confident198 Ų198103.3 Ų103.375%0.74751%0.511SS*.Hα-helixtrans-68.5-40.9-179-171.8-178.6-65.1-179.3-0.3111.7N23 R24 D25 R31N23-R27 WeakPolarHBondContact O-CB 2.98Å; N23-R27 PolarHBondContact O-N 2.96Å; N23-R27 VanDerWaalsContact O-N 3.1Å; R24-R27 PolarHBondContact O-N 3.17Å; R24-R27 VanDerWaalsContact O-N 3.11Å; D25-R27 VanDerWaalsContact C-N 3.32Å; D25-R27 PolarHBondContact O-N 2.9Å; R27-R31 WeakPolarHBondContact O-CB 3.34Å; R27-R31 PolarHBondContact O-N 3.42Å
28E86.6Confident84.9Confident140 Ų140103.9 Ų103.965%0.65451%0.505SS*.Hα-helixtrans-66.5-42177.2-171.5162-160.100111.5R24 D25 R31 Q32R24-E28 PolarHBondContact O-N 2.95Å; D25-E28 PolarHBondContact O-N 3.33Å; E28-R31 WeakPolarHBondContact O-CB 3.27Å; E28-R31 PolarHBondContact O-N 3.28Å; E28-Q32 PolarHBondContact O-N 3.11Å
29R89.2Confident84.9Confident174 Ų174104.7 Ų104.766%0.65751%0.505SS*.Hα-helixtrans-61.1-45.7173.9-175.1178.4178.2-176.70.3113D25 R31 Q32 L33D25-R29 VanDerWaalsContact O-CB 3.31Å; D25-R29 WeakPolarHBondContact O-CB 3.48Å; D25-R29 PolarHBondContact O-N 2.87Å; R29-R31 VanDerWaalsContact C-N 3.29Å; R29-R31 PolarHBondContact O-N 2.67Å; R29-Q32 PolarHBondContact O-N 3.35Å; R29-L33 HydrophobicContact CG-CD1 4.47Å; R29-L33 WeakPolarHBondContact O-CG 3.19Å; R29-L33 PolarHBondContact O-N 2.88Å
30L84.6Confident84.9Confident109 Ų10997.7 Ų97.757%0.57147%0.473SS*.Hα-helixtrans-63.7-36.5177-74.6173.5000112R26 A34R26-L30 HydrophobicContact CG-CD1 4.34Å; R26-L30 WeakPolarHBondContact O-CG 3.43Å; R26-L30 PolarHBondContact O-N 3.42Å; L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 2.98Å
31R82.6Confident84.8Confident86 Ų86101.4 Ų101.433%0.32549%0.486SS..Hα-helixtrans-64.2-43.1174.2-179.8-168.1177.2115.5-1.2111.3R27 E28 R29 A34 L35 N65 G67R27-R31 WeakPolarHBondContact O-CB 3.34Å; R27-R31 PolarHBondContact O-N 3.42Å; E28-R31 WeakPolarHBondContact O-CB 3.27Å; E28-R31 PolarHBondContact O-N 3.28Å; R29-R31 VanDerWaalsContact C-N 3.29Å; R29-R31 PolarHBondContact O-N 2.67Å; R31-A34 PolarHBondContact O-N 3.42Å; R31-L35 HydrophobicContact CG-CD1 4.24Å; R31-L35 WeakPolarHBondContact O-CG 3.37Å; R31-L35 PolarHBondContact O-N 2.9Å; R31-N65 PolarHBondContact NH1-ND2 3.36Å; R31-N65 VanDerWaalsContact NH1-ND2 3.2Å; R31-N65 PolarHBondContact NH1-OD1 2.97Å; R31-N65 VanDerWaalsContact NH2-CB 3.33Å; R31-N65 PolarHBondContact NH2-OD1 3.44Å; R31-G67 VanDerWaalsContact CZ-N 3.26Å
32Q85.3Confident84.7Confident101 Ų101104.7 Ų104.747%0.47250%0.498SS..Hα-helixtrans-63.5-46.4177.9-169.960.238.400111.4E28 R29 A34 L35 D36E28-Q32 PolarHBondContact O-N 3.11Å; R29-Q32 PolarHBondContact O-N 3.35Å; Q32-A34 PolarHBondContact O-N 2.87Å; Q32-L35 PolarHBondContact O-N 2.92Å; Q32-L35 VanDerWaalsContact O-N 3.1Å; Q32-D36 PolarHBondContact NE2-OD1 3Å; Q32-D36 VanDerWaalsContact O-CG 3.24Å; Q32-D36 PolarHBondContact O-N 2.74Å
33L87.2Confident84.8Confident91 Ų91104.3 Ų104.348%0.47649%0.49SS..Hα-helixtrans-58.4-37.4175.5-70.3171.5000112.4R29 T37R29-L33 HydrophobicContact CG-CD1 4.47Å; R29-L33 WeakPolarHBondContact O-CG 3.19Å; R29-L33 PolarHBondContact O-N 2.88Å; L33-T37 WeakPolarHBondContact O-CB 3.23Å; L33-T37 PolarHBondContact O-N 2.91Å; L33-T37 VanDerWaalsContact O-N 3.08Å; L33-T37 PolarHBondContact O-OG1 3.11Å
34A82.6Confident84.9Confident31 Ų31105.5 Ų105.526%0.25650%0.502SS..Hα-helixtrans-68.3-39.5176.400000112.5L30 R31 Q32 T37 I38 L70L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 2.98Å; R31-A34 PolarHBondContact O-N 3.42Å; Q32-A34 PolarHBondContact O-N 2.87Å; A34-T37 PolarHBondContact O-N 2.81Å; A34-I38 WeakPolarHBondContact O-CB 3.36Å; A34-I38 PolarHBondContact O-N 2.89Å; A34-L70 HydrophobicContact CB-CD1 4.35Å
35L81.9Confident85.2Confident30 Ų3099.9 Ų99.916%0.15748%0.481CS..Hα-helixtrans-68.1-35.6175.4-71.9167.4000112.1R31 Q32 T37 I38 L40 E66 L70R31-L35 HydrophobicContact CG-CD1 4.24Å; R31-L35 WeakPolarHBondContact O-CG 3.37Å; R31-L35 PolarHBondContact O-N 2.9Å; Q32-L35 PolarHBondContact O-N 2.92Å; Q32-L35 VanDerWaalsContact O-N 3.1Å; L35-T37 VanDerWaalsContact C-N 3.32Å; L35-I38 CarbonylContact O-C 3.54Å; L35-L40 HydrophobicContact CD2-CD1 3.49Å; L35-L40 VanDerWaalsContact CD2-CD1 3.49Å; L35-L40 HydrophobicContact CD2-CG 4.09Å; L35-E66 HydrophobicContact CD2-CB 4.11Å; L35-L70 HydrophobicContact CD2-CD1 3.66Å; L35-L70 HydrophobicContact CG-CD1 4.06Å
36D83.2Confident85.4Confident113 Ų11396.1 Ų96.160%0.60446%0.46SS*.Hα-helixtrans-70.4-31.1176.5-64.2-11.9000111.6Q32Q32-D36 PolarHBondContact NE2-OD1 3Å; Q32-D36 VanDerWaalsContact O-CG 3.24Å; Q32-D36 PolarHBondContact O-N 2.74Å
37T82.4Confident85.5Confident120 Ų12091.5 Ų91.574%0.73645%0.447SS*.Hα-helixtrans-80.7-33.3177.7-52.60000112.1L33 A34 L35L33-T37 WeakPolarHBondContact O-CB 3.23Å; L33-T37 PolarHBondContact O-N 2.91Å; L33-T37 VanDerWaalsContact O-N 3.08Å; L33-T37 PolarHBondContact O-OG1 3.11Å; A34-T37 PolarHBondContact O-N 2.81Å; L35-T37 VanDerWaalsContact C-N 3.32Å
38I79.3Confident85.8Confident75 Ų7587.3 Ų87.339%0.38543%0.434SS..SBendtrans-117.6100.3-174.5-53.6171.9000108.9A34 L35 L40 L70A34-I38 WeakPolarHBondContact O-CB 3.36Å; A34-I38 PolarHBondContact O-N 2.89Å; L35-I38 CarbonylContact O-C 3.54Å; I38-L40 PolarHBondContact O-N 3Å; I38-L70 HydrophobicContact CB-CD2 4.44Å; I38-L70 HydrophobicContact CD1-CD2 4.18Å; I38-L70 HydrophobicContact CG2-CD2 4.2Å
39D82.2Confident86Confident70 Ų7082.1 Ų82.137%0.37441%0.41SS..  trans-66.7100.9168.7-178.54.1000109.6N41 K42D39-N41 PolarHBondContact O-N 2.84Å; D39-N41 VanDerWaalsContact O-N 3.09Å; D39-N41 WeakPolarHBondContact OD1-CB 3.5Å; D39-N41 PolarHBondContact OD1-N 2.81Å; D39-N41 VanDerWaalsContact OD1-N 3.13Å; D39-N41 PolarHBondContact OD1-ND2 2.96Å; D39-K42 HydrophobicContact CB-CD 3.93Å; D39-K42 HydrophobicContact CB-CG 4Å; D39-K42 WeakPolarHBondContact O-CB 3.49Å; D39-K42 PolarHBondContact O-N 3.08Å; D39-K42 WeakPolarHBondContact OD2-CE 3.24Å; D39-K42 WeakPolarHBondContact OD2-CG 3.46Å; D39-K42 IonicContact OD2-NZ 3.47Å
40L82.7Confident85.9Confident12 Ų1282.3 Ų82.36%0.06342%0.418CS..G310 helixtrans-54.7-27.1179.7-74.5174.6000113.1L35 I38 K42 D43 F46 E66 Y69 L70L35-L40 HydrophobicContact CD2-CD1 3.49Å; L35-L40 VanDerWaalsContact CD2-CD1 3.49Å; L35-L40 HydrophobicContact CD2-CG 4.09Å; I38-L40 PolarHBondContact O-N 3Å; L40-K42 PolarHBondContact O-N 2.9Å; L40-D43 PolarHBondContact O-N 2.84Å; L40-F46 HydrophobicContact CB-CD1 4.04Å; L40-F46 HydrophobicContact CB-CE1 3.85Å; L40-F46 HydrophobicContact CB-CE2 4.48Å; L40-F46 HydrophobicContact CB-CG 4.43Å; L40-F46 HydrophobicContact CB-CZ 4.06Å; L40-F46 HydrophobicContact CD1-CE2 4.23Å; L40-F46 HydrophobicContact CD1-CZ 4.01Å; L40-F46 HydrophobicContact CD2-CE2 4.49Å; L40-F46 VanDerWaalsContact O-CD1 3.31Å; L40-F46 WeakPolarHBondContact O-CD1 3.32Å; L40-E66 HydrophobicContact CD1-CB 3.75Å; L40-E66 HydrophobicContact CD1-CG 3.91Å; L40-Y69 HydrophobicContact CD2-CD1 3.72Å; L40-Y69 HydrophobicContact CD2-CE1 3.96Å; L40-L70 HydrophobicContact CD2-CD2 3.51Å; L40-L70 HydrophobicContact CD2-CG 3.95Å; L40-L70 HydrophobicContact CG-CD2 4.5Å
41N84.2Confident86.1Confident127 Ų12783.6 Ų83.668%0.67943%0.425SS*.G310 helixtrans-73.4-15.6179.9-53.2-68.5000112.8D39 D43D39-N41 PolarHBondContact O-N 2.84Å; D39-N41 VanDerWaalsContact O-N 3.09Å; D39-N41 WeakPolarHBondContact OD1-CB 3.5Å; D39-N41 PolarHBondContact OD1-N 2.81Å; D39-N41 VanDerWaalsContact OD1-N 3.13Å; D39-N41 PolarHBondContact OD1-ND2 2.96Å; N41-D43 VanDerWaalsContact C-N 3.35Å
42K85.2Confident86.3Confident164 Ų16482 Ų8271%0.71344%0.435SS*.G310 helixtrans-82.2-14174.7-64.1179.8-168.5-66.20112.8D39 L40 P44D39-K42 HydrophobicContact CB-CD 3.93Å; D39-K42 HydrophobicContact CB-CG 4Å; D39-K42 WeakPolarHBondContact O-CB 3.49Å; D39-K42 PolarHBondContact O-N 3.08Å; D39-K42 WeakPolarHBondContact OD2-CE 3.24Å; D39-K42 WeakPolarHBondContact OD2-CG 3.46Å; D39-K42 IonicContact OD2-NZ 3.47Å; L40-K42 PolarHBondContact O-N 2.9Å; K42-P44 WeakPolarHBondContact O-CD 3.38Å
43D87.3Confident86.6Confident38 Ų3879 Ų7920%0.20342%0.424CS..  trans-78.2114.2176.7-175.9-11.7000110L40 N41 Y45 F46 Y69L40-D43 PolarHBondContact O-N 2.84Å; N41-D43 VanDerWaalsContact C-N 3.35Å; D43-Y45 PolarHBondContact O-N 2.87Å; D43-Y45 PolarHBondContact OD1-N 2.84Å; D43-F46 HydrophobicContact CB-CB 4.01Å; D43-F46 PolarHBondContact O-N 2.83Å; D43-F46 VanDerWaalsContact O-N 3.16Å; D43-Y69 VanDerWaalsContact CG-OH 3.31Å; D43-Y69 PolarHBondContact OD2-OH 2.91Å
44P90Very high86.8Confident103 Ų10376.5 Ų76.567%0.66941%0.408SS*.THydrogen-bonded Turntrans-64.9-11.4-178.328.5-36.4000113.8K42K42-P44 WeakPolarHBondContact O-CD 3.38Å
45Y91.5Very high87.3Confident40 Ų4077.2 Ų77.216%0.15741%0.406CS..THydrogen-bonded Turntrans-102.3-5.3179.5-53.7-55.5000114.3D43 K57 L58 L82D43-Y45 PolarHBondContact O-N 2.87Å; D43-Y45 PolarHBondContact OD1-N 2.84Å; Y45-K57 PolarHBondContact O-N 3.39Å; Y45-L58 HydrophobicContact CD1-CB 3.95Å; Y45-L58 HydrophobicContact CD2-CB 4.23Å; Y45-L58 HydrophobicContact CD2-CD2 4.18Å; Y45-L58 HydrophobicContact CE2-CD2 4.2Å; Y45-L58 HydrophobicContact CG-CB 3.79Å; Y45-L82 HydrophobicContact CD2-CD1 4.39Å; Y45-L82 HydrophobicContact CE2-CD1 3.41Å; Y45-L82 VanDerWaalsContact CE2-CD1 3.41Å
46F92.5Very high87.9Confident26 Ų2675.8 Ų75.811%0.11440%0.399CS..EExtended strand (participates in β ladder)trans-81.8129.2176.7178.5-111.2000110.7L40 D43 K48 Y54 Y69L40-F46 HydrophobicContact CB-CD1 4.04Å; L40-F46 HydrophobicContact CB-CE1 3.85Å; L40-F46 HydrophobicContact CB-CE2 4.48Å; L40-F46 HydrophobicContact CB-CG 4.43Å; L40-F46 HydrophobicContact CB-CZ 4.06Å; L40-F46 HydrophobicContact CD1-CE2 4.23Å; L40-F46 HydrophobicContact CD1-CZ 4.01Å; L40-F46 HydrophobicContact CD2-CE2 4.49Å; L40-F46 VanDerWaalsContact O-CD1 3.31Å; L40-F46 WeakPolarHBondContact O-CD1 3.32Å; D43-F46 HydrophobicContact CB-CB 4.01Å; D43-F46 PolarHBondContact O-N 2.83Å; D43-F46 VanDerWaalsContact O-N 3.16Å; F46-K48 HydrophobicContact CE1-CG 4.34Å; F46-K48 HydrophobicContact CZ-CG 4.28Å; F46-Y54 AromaticContact CE2-CD1 3.44Å; F46-Y54 HydrophobicContact CE2-CD1 3.44Å; F46-Y54 VanDerWaalsContact CE2-CD1 3.44Å; F46-Y54 HydrophobicContact CE2-CE1 4.2Å; F46-Y54 HydrophobicContact CE2-CG 4.2Å; F46-Y54 AromaticContact CZ-CD1 3.41Å; F46-Y54 HydrophobicContact CZ-CD1 3.41Å; F46-Y54 VanDerWaalsContact CZ-CD1 3.41Å; F46-Y54 AromaticContact CZ-CE1 3.75Å; F46-Y54 HydrophobicContact CZ-CE1 3.75Å; F46-Y69 WeakPolarHBondContact CA-OH 3.31Å; F46-Y69 HydrophobicContact CB-CE1 3.91Å; F46-Y69 HydrophobicContact CB-CE2 4.43Å; F46-Y69 AromaticContact CD2-CD1 3.56Å; F46-Y69 HydrophobicContact CD2-CD1 3.56Å; F46-Y69 HydrophobicContact CD2-CD2 4.02Å; F46-Y69 AromaticContact CD2-CE1 3.47Å; F46-Y69 HydrophobicContact CD2-CE1 3.47Å; F46-Y69 VanDerWaalsContact CD2-CE1 3.47Å; F46-Y69 AromaticContact CD2-CE2 3.91Å; F46-Y69 HydrophobicContact CD2-CE2 3.91Å; F46-Y69 AromaticContact CD2-CG 3.85Å; F46-Y69 HydrophobicContact CD2-CG 3.85Å; F46-Y69 AromaticContact CD2-CZ 3.68Å; F46-Y69 AromaticContact CE2-CD1 3.99Å; F46-Y69 HydrophobicContact CE2-CD1 3.99Å; F46-Y69 HydrophobicContact CE2-CE1 4.34Å; F46-Y69 HydrophobicContact CE2-CG 4.14Å; F46-Y69 HydrophobicContact CG-CE1 4.07Å; F46-Y69 PolarHBondContact N-OH 3.21Å
47M90.5Very high88.3Confident74 Ų7475.3 Ų75.337%0.36539%0.392SS..EExtended strand (participates in β ladder)trans-141.3146173-177.5175.8-64.600110.3E55M47-E55 HydrophobicContact CB-CG 3.76Å; M47-E55 HydrophobicContact CG-CG 4.27Å; M47-E55 PolarHBondContact N-O 2.89Å; M47-E55 VanDerWaalsContact N-O 3.16Å; M47-E55 PolarHBondContact O-N 3.35Å
48K91.8Very high88.7Confident109 Ų10970.2 Ų70.247%0.47436%0.36SS..EExtended strand (participates in β ladder)trans-98.4126.2169.3-57-167.7-171.5-154.50108.3F46 Y54 E66F46-K48 HydrophobicContact CE1-CG 4.34Å; F46-K48 HydrophobicContact CZ-CG 4.28Å; K48-Y54 HydrophobicContact CD-CD1 4.34Å; K48-Y54 HydrophobicContact CD-CE1 3.79Å; K48-Y54 HydrophobicContact CG-CD1 3.89Å; K48-Y54 HydrophobicContact CG-CE1 3.88Å; K48-E66 IonicContact NZ-OE1 2.69Å; K48-E66 PolarHBondContact NZ-OE1 2.82Å
49N89.3Confident89.4Confident31 Ų3167.3 Ų67.317%0.16635%0.346CS..  trans-73.8159.9175.7-77.3-13.8000111.4L51 G52 T53 E55 L62N49-L51 PolarHBondContact O-N 3.14Å; N49-L51 VanDerWaalsContact O-N 3.08Å; N49-G52 PolarHBondContact O-N 2.87Å; N49-T53 PolarHBondContact N-O 2.85Å; N49-E55 VanDerWaalsContact CG-OE2 3.28Å; N49-E55 PolarHBondContact ND2-OE2 3.29Å; N49-E55 WeakPolarHBondContact OD1-CG 3.33Å; N49-E55 PolarHBondContact OD1-OE1 2.88Å; N49-E55 PolarHBondContact OD1-OE2 2.7Å; N49-L62 WeakPolarHBondContact ND2-CD2 3.45Å
50H88.3Confident89.8Confident179 Ų17971.3 Ų71.383%0.82937%0.366SS*.THydrogen-bonded Turntrans-59.4-18.8176.257.5-84.5000113.4G52H50-G52 VanDerWaalsContact C-N 3.34Å
51L88.3Confident90.3Very high135 Ų13572.1 Ų72.171%0.70737%0.372SS*.THydrogen-bonded Turntrans-87.50.5174.1-56.9178.1000113.5N49 T53N49-L51 PolarHBondContact O-N 3.14Å; N49-L51 VanDerWaalsContact O-N 3.08Å; L51-T53 VanDerWaalsContact C-N 3.3Å; L51-T53 PolarHBondContact O-N 3.5Å
52G87.5Confident90.8Very high52 Ų5271.9 Ų71.954%0.53637%0.37SS..SBendtrans80.33.6-176.300000115N49 H50N49-G52 PolarHBondContact O-N 2.87Å; H50-G52 VanDerWaalsContact C-N 3.34Å
53T91.2Very high91.1Very high39 Ų3964.8 Ų64.824%0.23934%0.339CS..  trans-81.2156.3171.756.80000111.2N49 L51N49-T53 PolarHBondContact N-O 2.85Å; L51-T53 VanDerWaalsContact C-N 3.3Å; L51-T53 PolarHBondContact O-N 3.5Å
54Y92.1Very high91.3Very high38 Ų3869.8 Ų69.815%0.14937%0.366CS..EExtended strand (participates in β ladder)trans-97.5138.3-179.9-57.8-84.2000109.7F46 K48 L62 H63 E66F46-Y54 AromaticContact CE2-CD1 3.44Å; F46-Y54 HydrophobicContact CE2-CD1 3.44Å; F46-Y54 VanDerWaalsContact CE2-CD1 3.44Å; F46-Y54 HydrophobicContact CE2-CE1 4.2Å; F46-Y54 HydrophobicContact CE2-CG 4.2Å; F46-Y54 AromaticContact CZ-CD1 3.41Å; F46-Y54 HydrophobicContact CZ-CD1 3.41Å; F46-Y54 VanDerWaalsContact CZ-CD1 3.41Å; F46-Y54 AromaticContact CZ-CE1 3.75Å; F46-Y54 HydrophobicContact CZ-CE1 3.75Å; K48-Y54 HydrophobicContact CD-CD1 4.34Å; K48-Y54 HydrophobicContact CD-CE1 3.79Å; K48-Y54 HydrophobicContact CG-CD1 3.89Å; K48-Y54 HydrophobicContact CG-CE1 3.88Å; Y54-L62 CarbonylContact O-C 3.6Å; Y54-L62 WeakPolarHBondContact O-CA 3.4Å; Y54-H63 PolarHBondContact N-O 3.5Å; Y54-H63 PolarHBondContact O-N 3.33Å; Y54-E66 HydrophobicContact CD1-CG 3.94Å; Y54-E66 HydrophobicContact CD2-CG 4.24Å; Y54-E66 HydrophobicContact CE1-CG 3.29Å; Y54-E66 VanDerWaalsContact CE1-OE1 3.22Å; Y54-E66 WeakPolarHBondContact CE1-OE1 3.47Å; Y54-E66 HydrophobicContact CE2-CG 3.7Å; Y54-E66 HydrophobicContact CG-CG 4.35Å; Y54-E66 VanDerWaalsContact CZ-OE1 3.24Å; Y54-E66 VanDerWaalsContact OH-CD 3.24Å; Y54-E66 VanDerWaalsContact OH-CG 3.27Å; Y54-E66 WeakPolarHBondContact OH-CG 3.43Å; Y54-E66 PolarHBondContact OH-OE1 2.87Å
55E92Very high91.2Very high46 Ų4667.8 Ų67.822%0.21535%0.35CS..EExtended strand (participates in β ladder)trans-127.3147.917868.9171-155.800112.5M47 N49 T61 L62M47-E55 HydrophobicContact CB-CG 3.76Å; M47-E55 HydrophobicContact CG-CG 4.27Å; M47-E55 PolarHBondContact N-O 2.89Å; M47-E55 VanDerWaalsContact N-O 3.16Å; M47-E55 PolarHBondContact O-N 3.35Å; N49-E55 VanDerWaalsContact CG-OE2 3.28Å; N49-E55 PolarHBondContact ND2-OE2 3.29Å; N49-E55 WeakPolarHBondContact OD1-CG 3.33Å; N49-E55 PolarHBondContact OD1-OE1 2.88Å; N49-E55 PolarHBondContact OD1-OE2 2.7Å; E55-T61 CarbonylContact C-O 3.53Å; E55-T61 VanDerWaalsContact CA-O 3.31Å; E55-T61 WeakPolarHBondContact CA-O 3.41Å; E55-L62 HydrophobicContact CB-CD2 3.94Å
56C94Very high91Very high1 Ų168 Ų681%0.00735%0.352CS..EExtended strand (participates in β ladder)trans-99.1105.9169.7-1750000109.8L58 C59 L60 T61 Y69 H78C56-L58 PolarHBondContact O-N 2.93Å; C56-L58 VanDerWaalsContact O-N 3.16Å; C56-C59 HydrophobicContact CB-CB 4.32Å; C56-C59 PolarHBondContact O-N 3.35Å; C56-C59 VanDerWaalsContact O-N 3.14Å; C56-L60 WeakPolarHBondContact O-CA 3.46Å; C56-L60 PolarHBondContact O-N 3.47Å; C56-T61 PolarHBondContact N-O 3.5Å; C56-Y69 HydrophobicContact CB-CD2 4.21Å; C56-Y69 HydrophobicContact CB-CE2 3.65Å; C56-H78 PolarHBondContact SG-CE1 3.17Å; C56-H78 PolarHBondContact SG-ND1 2.76Å
57K91.9Very high90.7Very high103 Ų10367.5 Ų67.545%0.44835%0.354SS..THydrogen-bonded Turntrans-59.8-27.3178.4177.7175.3-81.6-168.40113Y45Y45-K57 PolarHBondContact O-N 3.39Å
58L91.7Very high90.5Very high12 Ų1266.3 Ų66.36%0.06335%0.354CS..THydrogen-bonded Turntrans-73.2-39177.8179.762.1000112.5Y45 C56 N81 L82 R85Y45-L58 HydrophobicContact CD1-CB 3.95Å; Y45-L58 HydrophobicContact CD2-CB 4.23Å; Y45-L58 HydrophobicContact CD2-CD2 4.18Å; Y45-L58 HydrophobicContact CE2-CD2 4.2Å; Y45-L58 HydrophobicContact CG-CB 3.79Å; C56-L58 PolarHBondContact O-N 2.93Å; C56-L58 VanDerWaalsContact O-N 3.16Å; L58-N81 HydrophobicContact CD1-CB 4.15Å; L58-N81 HydrophobicContact CD2-CB 4.27Å; L58-N81 HydrophobicContact CG-CB 3.92Å; L58-L82 HydrophobicContact CD2-CB 3.81Å; L58-L82 HydrophobicContact CD2-CD1 3.9Å; L58-L82 HydrophobicContact CD2-CG 4.48Å; L58-R85 HydrophobicContact CD1-CB 4.25Å
59C92.9Very high90.5Very high14 Ų1461.1 Ų61.110%0.09533%0.331CS..THydrogen-bonded Turntrans-105.2-9.3-174.4-66.90000114.4C56 T61 H72 N81C56-C59 HydrophobicContact CB-CB 4.32Å; C56-C59 PolarHBondContact O-N 3.35Å; C56-C59 VanDerWaalsContact O-N 3.14Å; C59-T61 HydrophobicContact CB-CG2 3.95Å; C59-T61 PolarHBondContact O-N 3.26Å; C59-H72 WeakPolarHBondContact CB-NE2 3.37Å; C59-H72 VanDerWaalsContact SG-CE1 3.56Å; C59-H72 PolarHBondContact SG-NE2 2.92Å; C59-H72 VanDerWaalsContact SG-NE2 3.38Å; C59-N81 PolarHBondContact SG-ND2 3.4Å
60L91.9Very high90.5Very high154 Ų15460.1 Ų60.181%0.80633%0.326SS*.THydrogen-bonded Turntrans52.342.5-171-54.3176.9000111.8C56C56-L60 WeakPolarHBondContact O-CA 3.46Å; C56-L60 PolarHBondContact O-N 3.47Å
61T93.2Very high90.5Very high30 Ų3054.7 Ų54.718%0.18431%0.312CS..EExtended strand (participates in β ladder)trans-108.3138.2178.452.20000110.8E55 C56 C59 H63 H72E55-T61 CarbonylContact C-O 3.53Å; E55-T61 VanDerWaalsContact CA-O 3.31Å; E55-T61 WeakPolarHBondContact CA-O 3.41Å; C56-T61 PolarHBondContact N-O 3.5Å; C59-T61 HydrophobicContact CB-CG2 3.95Å; C59-T61 PolarHBondContact O-N 3.26Å; T61-H63 PolarHBondContact OG1-NE2 2.85Å; T61-H72 PolarHBondContact OG1-CE1 3.42Å; T61-H72 PolarHBondContact OG1-NE2 3.37Å
62L93.2Very high90.7Very high121 Ų12149.6 Ų49.663%0.63428%0.284SS*.EExtended strand (participates in β ladder)trans-94.2138.5174.4-63.2169.8000110N49 Y54 E55N49-L62 WeakPolarHBondContact ND2-CD2 3.45Å; Y54-L62 CarbonylContact O-C 3.6Å; Y54-L62 WeakPolarHBondContact O-CA 3.4Å; E55-L62 HydrophobicContact CB-CD2 3.94Å
63H92.4Very high90.9Very high15 Ų1548.2 Ų48.27%0.06927%0.265CS..EExtended strand (participates in β ladder)trans-127.6130-179.6-61.9-74.3000108.8Y54 T61 N65 S68 Y69 H72Y54-H63 PolarHBondContact N-O 3.5Å; Y54-H63 PolarHBondContact O-N 3.33Å; T61-H63 PolarHBondContact OG1-NE2 2.85Å; H63-N65 VanDerWaalsContact C-N 3.31Å; H63-S68 PolarHBondContact ND1-O 3.39Å; H63-S68 PolarHBondContact ND1-OG 3.4Å; H63-S68 VanDerWaalsContact ND1-OG 3.15Å; H63-Y69 AromaticContact CD2-CD2 3.74Å; H63-H72 WeakPolarHBondContact CE1-CB 3.23Å; H63-H72 AromaticContact CE1-CG 3.41Å; H63-H72 VanDerWaalsContact CE1-CG 3.41Å; H63-H72 AromaticContact CE1-ND1 3.91Å; H63-H72 AromaticContact NE2-CD2 3.53Å; H63-H72 AromaticContact NE2-CG 3.4Å; H63-H72 AromaticContact NE2-ND1 3.98Å
64N91.2Very high90.8Very high143 Ų14352.9 Ų52.977%0.76528%0.284SS*.SBendtrans-74.7-25.4-178.9-164.516.4000112.1
65N87.8Confident90.8Very high62 Ų6252.3 Ų52.333%0.33229%0.29SS..SBendtrans-141156.8-178.580.640.8000110.9R31 H63 G67 S68 Y69R31-N65 PolarHBondContact NH1-ND2 3.36Å; R31-N65 VanDerWaalsContact NH1-ND2 3.2Å; R31-N65 PolarHBondContact NH1-OD1 2.97Å; R31-N65 VanDerWaalsContact NH2-CB 3.33Å; R31-N65 PolarHBondContact NH2-OD1 3.44Å; H63-N65 VanDerWaalsContact C-N 3.31Å; N65-G67 VanDerWaalsContact C-N 3.29Å; N65-G67 PolarHBondContact O-N 2.85Å; N65-G67 WeakPolarHBondContact OD1-CA 3.39Å; N65-G67 PolarHBondContact OD1-N 3.29Å; N65-S68 WeakPolarHBondContact O-CB 3.26Å; N65-S68 PolarHBondContact O-N 2.89Å; N65-S68 WeakPolarHBondContact OD1-CB 3.22Å; N65-S68 PolarHBondContact OD1-N 3.44Å; N65-Y69 PolarHBondContact O-N 2.9Å
66E86.6Confident91Very high44 Ų4459.3 Ų59.321%0.20632%0.32CS..Hα-helixtrans-57.8-37.5-179.2-67.3179.3173.900113.4L35 L40 K48 Y54 S68 Y69 L70L35-E66 HydrophobicContact CD2-CB 4.11Å; L40-E66 HydrophobicContact CD1-CB 3.75Å; L40-E66 HydrophobicContact CD1-CG 3.91Å; K48-E66 IonicContact NZ-OE1 2.69Å; K48-E66 PolarHBondContact NZ-OE1 2.82Å; Y54-E66 HydrophobicContact CD1-CG 3.94Å; Y54-E66 HydrophobicContact CD2-CG 4.24Å; Y54-E66 HydrophobicContact CE1-CG 3.29Å; Y54-E66 VanDerWaalsContact CE1-OE1 3.22Å; Y54-E66 WeakPolarHBondContact CE1-OE1 3.47Å; Y54-E66 HydrophobicContact CE2-CG 3.7Å; Y54-E66 HydrophobicContact CG-CG 4.35Å; Y54-E66 VanDerWaalsContact CZ-OE1 3.24Å; Y54-E66 VanDerWaalsContact OH-CD 3.24Å; Y54-E66 VanDerWaalsContact OH-CG 3.27Å; Y54-E66 WeakPolarHBondContact OH-CG 3.43Å; Y54-E66 PolarHBondContact OH-OE1 2.87Å; E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 2.9Å; E66-Y69 WeakPolarHBondContact O-CB 3.27Å; E66-Y69 PolarHBondContact O-N 3.36Å; E66-L70 PolarHBondContact O-N 3.01Å
67G86Confident91Very high15 Ų1565.5 Ų65.516%0.15535%0.347CS..Hα-helixtrans-68.3-28.6176.200000114.1R31 N65 Y69 L70 A71R31-G67 VanDerWaalsContact CZ-N 3.26Å; N65-G67 VanDerWaalsContact C-N 3.29Å; N65-G67 PolarHBondContact O-N 2.85Å; N65-G67 WeakPolarHBondContact OD1-CA 3.39Å; N65-G67 PolarHBondContact OD1-N 3.29Å; G67-Y69 VanDerWaalsContact C-N 3.35Å; G67-L70 PolarHBondContact O-N 3Å; G67-A71 WeakPolarHBondContact O-CB 3.4Å; G67-A71 PolarHBondContact O-N 2.97Å
68S88.2Confident91Very high50 Ų5061 Ų6135%0.3533%0.327SS..Hα-helixtrans-71.2-36.7173.2177.50000109.8H63 N65 E66 H72H63-S68 PolarHBondContact ND1-O 3.39Å; H63-S68 PolarHBondContact ND1-OG 3.4Å; H63-S68 VanDerWaalsContact ND1-OG 3.15Å; N65-S68 WeakPolarHBondContact O-CB 3.26Å; N65-S68 PolarHBondContact O-N 2.89Å; N65-S68 WeakPolarHBondContact OD1-CB 3.22Å; N65-S68 PolarHBondContact OD1-N 3.44Å; E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 2.9Å; S68-H72 WeakPolarHBondContact O-CB 3.48Å; S68-H72 PolarHBondContact O-N 2.9Å
69Y91.2Very high91.1Very high0 Ų064.3 Ų64.30%034%0.342CS..Hα-helixtrans-63.4-48.1169.8178.6-94.2000111.2L40 D43 F46 C56 H63 N65 E66 G67 A71 H72 T73L40-Y69 HydrophobicContact CD2-CD1 3.72Å; L40-Y69 HydrophobicContact CD2-CE1 3.96Å; D43-Y69 VanDerWaalsContact CG-OH 3.31Å; D43-Y69 PolarHBondContact OD2-OH 2.91Å; F46-Y69 WeakPolarHBondContact CA-OH 3.31Å; F46-Y69 HydrophobicContact CB-CE1 3.91Å; F46-Y69 HydrophobicContact CB-CE2 4.43Å; F46-Y69 AromaticContact CD2-CD1 3.56Å; F46-Y69 HydrophobicContact CD2-CD1 3.56Å; F46-Y69 HydrophobicContact CD2-CD2 4.02Å; F46-Y69 AromaticContact CD2-CE1 3.47Å; F46-Y69 HydrophobicContact CD2-CE1 3.47Å; F46-Y69 VanDerWaalsContact CD2-CE1 3.47Å; F46-Y69 AromaticContact CD2-CE2 3.91Å; F46-Y69 HydrophobicContact CD2-CE2 3.91Å; F46-Y69 AromaticContact CD2-CG 3.85Å; F46-Y69 HydrophobicContact CD2-CG 3.85Å; F46-Y69 AromaticContact CD2-CZ 3.68Å; F46-Y69 AromaticContact CE2-CD1 3.99Å; F46-Y69 HydrophobicContact CE2-CD1 3.99Å; F46-Y69 HydrophobicContact CE2-CE1 4.34Å; F46-Y69 HydrophobicContact CE2-CG 4.14Å; F46-Y69 HydrophobicContact CG-CE1 4.07Å; F46-Y69 PolarHBondContact N-OH 3.21Å; C56-Y69 HydrophobicContact CB-CD2 4.21Å; C56-Y69 HydrophobicContact CB-CE2 3.65Å; H63-Y69 AromaticContact CD2-CD2 3.74Å; N65-Y69 PolarHBondContact O-N 2.9Å; E66-Y69 WeakPolarHBondContact O-CB 3.27Å; E66-Y69 PolarHBondContact O-N 3.36Å; G67-Y69 VanDerWaalsContact C-N 3.35Å; Y69-A71 PolarHBondContact O-N 3.46Å; Y69-H72 WeakPolarHBondContact O-CA 3.19Å; Y69-H72 VanDerWaalsContact O-CB 3.32Å; Y69-H72 WeakPolarHBondContact O-CB 3.42Å; Y69-H72 PolarHBondContact O-N 3.13Å; Y69-T73 HydrophobicContact CD1-CG2 4.1Å; Y69-T73 HydrophobicContact CE1-CG2 3.55Å; Y69-T73 HydrophobicContact CE2-CG2 4.32Å; Y69-T73 PolarHBondContact O-N 2.87Å
70L88.7Confident91.2Very high10 Ų1070.4 Ų70.45%0.05236%0.364CS..Hα-helixtrans-59.9-41.9176.7-73.8175.1000113.3A34 L35 I38 L40 E66 G67 H72 T73 Q74A34-L70 HydrophobicContact CB-CD1 4.35Å; L35-L70 HydrophobicContact CD2-CD1 3.66Å; L35-L70 HydrophobicContact CG-CD1 4.06Å; I38-L70 HydrophobicContact CB-CD2 4.44Å; I38-L70 HydrophobicContact CD1-CD2 4.18Å; I38-L70 HydrophobicContact CG2-CD2 4.2Å; L40-L70 HydrophobicContact CD2-CD2 3.51Å; L40-L70 HydrophobicContact CD2-CG 3.95Å; L40-L70 HydrophobicContact CG-CD2 4.5Å; E66-L70 PolarHBondContact O-N 3.01Å; G67-L70 PolarHBondContact O-N 3Å; L70-H72 PolarHBondContact O-N 2.8Å; L70-T73 PolarHBondContact O-N 3.42Å; L70-T73 PolarHBondContact O-OG1 2.86Å; L70-Q74 WeakPolarHBondContact O-CG 3.48Å; L70-Q74 PolarHBondContact O-N 2.81Å
71A89.3Confident91.3Very high65 Ų6563.8 Ų63.854%0.53733%0.33SS..Hα-helixtrans-65.4-31.6174.800000111.9G67 Y69 G75G67-A71 WeakPolarHBondContact O-CB 3.4Å; G67-A71 PolarHBondContact O-N 2.97Å; Y69-A71 PolarHBondContact O-N 3.46Å; A71-G75 PolarHBondContact O-N 3.37Å
72H92.1Very high91.3Very high28 Ų2865.2 Ų65.213%0.1334%0.336CS..Hα-helixtrans-71-40.5176.3167.278.4000113.1C59 T61 H63 S68 Y69 L70 Q74 G75 H78C59-H72 WeakPolarHBondContact CB-NE2 3.37Å; C59-H72 VanDerWaalsContact SG-CE1 3.56Å; C59-H72 PolarHBondContact SG-NE2 2.92Å; C59-H72 VanDerWaalsContact SG-NE2 3.38Å; T61-H72 PolarHBondContact OG1-CE1 3.42Å; T61-H72 PolarHBondContact OG1-NE2 3.37Å; H63-H72 WeakPolarHBondContact CE1-CB 3.23Å; H63-H72 AromaticContact CE1-CG 3.41Å; H63-H72 VanDerWaalsContact CE1-CG 3.41Å; H63-H72 AromaticContact CE1-ND1 3.91Å; H63-H72 AromaticContact NE2-CD2 3.53Å; H63-H72 AromaticContact NE2-CG 3.4Å; H63-H72 AromaticContact NE2-ND1 3.98Å; S68-H72 WeakPolarHBondContact O-CB 3.48Å; S68-H72 PolarHBondContact O-N 2.9Å; Y69-H72 WeakPolarHBondContact O-CA 3.19Å; Y69-H72 VanDerWaalsContact O-CB 3.32Å; Y69-H72 WeakPolarHBondContact O-CB 3.42Å; Y69-H72 PolarHBondContact O-N 3.13Å; L70-H72 PolarHBondContact O-N 2.8Å; H72-Q74 PolarHBondContact O-N 3.45Å; H72-G75 WeakPolarHBondContact O-CA 3.19Å; H72-G75 PolarHBondContact O-N 3.3Å; H72-H78 AromaticContact CD2-ND1 3.66Å; H72-H78 AromaticContact NE2-CG 3.92Å; H72-H78 AromaticContact NE2-ND1 3.27Å; H72-H78 PolarHBondContact NE2-ND1 2.84Å; H72-H78 VanDerWaalsContact O-CB 3.24Å; H72-H78 WeakPolarHBondContact O-CB 3.12Å
73T91.4Very high91.3Very high22 Ų2265.2 Ų65.214%0.13533%0.333CS..Hα-helixtrans-64.5-31.3178.259.80000112.3Y69 L70 G75 Q79Y69-T73 HydrophobicContact CD1-CG2 4.1Å; Y69-T73 HydrophobicContact CE1-CG2 3.55Å; Y69-T73 HydrophobicContact CE2-CG2 4.32Å; Y69-T73 PolarHBondContact O-N 2.87Å; L70-T73 PolarHBondContact O-N 3.42Å; L70-T73 PolarHBondContact O-OG1 2.86Å; T73-G75 VanDerWaalsContact C-N 3.25Å; T73-G75 PolarHBondContact O-N 2.94Å; T73-Q79 PolarHBondContact O-NE2 2.97Å
74Q88.7Confident91.3Very high138 Ų13869.8 Ų69.865%0.64535%0.349SS*.THydrogen-bonded Turntrans-76.3-11.6172.1-62.5174.223.900113L70 H72L70-Q74 WeakPolarHBondContact O-CG 3.48Å; L70-Q74 PolarHBondContact O-N 2.81Å; H72-Q74 PolarHBondContact O-N 3.45Å
75G92.9Very high91.3Very high26 Ų2666.2 Ų66.227%0.26833%0.325SS..SBendtrans-74.7145.9-17900000113.5A71 H72 T73 K77 H78 Q79A71-G75 PolarHBondContact O-N 3.37Å; H72-G75 WeakPolarHBondContact O-CA 3.19Å; H72-G75 PolarHBondContact O-N 3.3Å; T73-G75 VanDerWaalsContact C-N 3.25Å; T73-G75 PolarHBondContact O-N 2.94Å; G75-K77 VanDerWaalsContact C-N 3.25Å; G75-K77 PolarHBondContact O-N 2.94Å; G75-H78 PolarHBondContact O-N 3.14Å; G75-H78 VanDerWaalsContact O-N 3.11Å; G75-Q79 PolarHBondContact O-N 3.12Å
76K94.7Very high91.5Very high192 Ų19266 Ų6684%0.83533%0.332SS*.Hα-helixtrans-55.4-36.3180-67.1-175.9178.7-178.60113.7Q79 Y80K76-Q79 PolarHBondContact O-N 2.87Å; K76-Y80 WeakPolarHBondContact O-CB 3.31Å; K76-Y80 PolarHBondContact O-N 3.06Å
77K94Very high91.6Very high132 Ų13268 Ų6857%0.57435%0.347SS*.Hα-helixtrans-63-42.9179.4-174.8-177.9177.3-172.80111.8G75 N81G75-K77 VanDerWaalsContact C-N 3.25Å; G75-K77 PolarHBondContact O-N 2.94Å; K77-N81 PolarHBondContact O-N 3.28Å
78H93.5Very high91.8Very high8 Ų871.6 Ų71.64%0.03736%0.36CS..Hα-helixtrans-66-46.6178.1-175.896.9000110.9C56 H72 G75 Y80 N81 L82C56-H78 PolarHBondContact SG-CE1 3.17Å; C56-H78 PolarHBondContact SG-ND1 2.76Å; H72-H78 AromaticContact CD2-ND1 3.66Å; H72-H78 AromaticContact NE2-CG 3.92Å; H72-H78 AromaticContact NE2-ND1 3.27Å; H72-H78 PolarHBondContact NE2-ND1 2.84Å; H72-H78 VanDerWaalsContact O-CB 3.24Å; H72-H78 WeakPolarHBondContact O-CB 3.12Å; G75-H78 PolarHBondContact O-N 3.14Å; G75-H78 VanDerWaalsContact O-N 3.11Å; H78-Y80 PolarHBondContact O-N 3.38Å; H78-N81 PolarHBondContact O-N 2.92Å; H78-L82 WeakPolarHBondContact O-CB 3.44Å; H78-L82 PolarHBondContact O-N 3Å
79Q93.3Very high91.7Very high81 Ų8174.8 Ų74.838%0.37937%0.369SS..Hα-helixtrans-60.3-41.6176.8-64.1-60.7-35.300112.6T73 G75 K76 L82 Q83T73-Q79 PolarHBondContact O-NE2 2.97Å; G75-Q79 PolarHBondContact O-N 3.12Å; K76-Q79 PolarHBondContact O-N 2.87Å; Q79-L82 WeakPolarHBondContact O-CB 3.04Å; Q79-L82 PolarHBondContact O-N 2.99Å; Q79-Q83 WeakPolarHBondContact O-CG 3.44Å; Q79-Q83 PolarHBondContact O-N 2.87Å
80Y94.9Very high91.4Very high142 Ų14277.9 Ų77.956%0.55740%0.395SS*.Hα-helixtrans-64.6-44.7176.2178.2-100000112.6K76 H78 L82 Q83 R84K76-Y80 WeakPolarHBondContact O-CB 3.31Å; K76-Y80 PolarHBondContact O-N 3.06Å; H78-Y80 PolarHBondContact O-N 3.38Å; Y80-L82 PolarHBondContact O-N 3.1Å; Y80-Q83 PolarHBondContact O-N 3.32Å; Y80-R84 PolarHBondContact O-N 3.19Å
81N93.8Very high91.1Very high16 Ų1687.2 Ų87.29%0.08643%0.429CS..Hα-helixtrans-63.5-33.9176.2-76.6-19.6000111.8L58 C59 K77 H78 R84 R85L58-N81 HydrophobicContact CD1-CB 4.15Å; L58-N81 HydrophobicContact CD2-CB 4.27Å; L58-N81 HydrophobicContact CG-CB 3.92Å; C59-N81 PolarHBondContact SG-ND2 3.4Å; K77-N81 PolarHBondContact O-N 3.28Å; H78-N81 PolarHBondContact O-N 2.92Å; N81-R84 PolarHBondContact O-N 3.3Å; N81-R84 PolarHBondContact OD1-NH1 2.79Å; N81-R84 PolarHBondContact OD1-NH2 2.91Å; N81-R85 WeakPolarHBondContact O-CB 3.39Å; N81-R85 PolarHBondContact O-N 3.13Å
82L93.2Very high90.5Very high60 Ų6091.9 Ų91.931%0.31444%0.44SS..Hα-helixtrans-65.2-46.5176.4-171.767.4000111Y45 L58 H78 Q79 Y80 R84 R85 A86Y45-L82 HydrophobicContact CD2-CD1 4.39Å; Y45-L82 HydrophobicContact CE2-CD1 3.41Å; Y45-L82 VanDerWaalsContact CE2-CD1 3.41Å; L58-L82 HydrophobicContact CD2-CB 3.81Å; L58-L82 HydrophobicContact CD2-CD1 3.9Å; L58-L82 HydrophobicContact CD2-CG 4.48Å; H78-L82 WeakPolarHBondContact O-CB 3.44Å; H78-L82 PolarHBondContact O-N 3Å; Q79-L82 WeakPolarHBondContact O-CB 3.04Å; Q79-L82 PolarHBondContact O-N 2.99Å; Y80-L82 PolarHBondContact O-N 3.1Å; L82-R84 PolarHBondContact O-N 2.7Å; L82-R85 PolarHBondContact O-N 2.79Å; L82-A86 PolarHBondContact O-N 2.81Å
83Q92.9Very high89.4Confident121 Ų12191.6 Ų91.657%0.56544%0.442SS*.Hα-helixtrans-61-43.8175.1-69.7171.213.500111.5Q79 Y80 R85 A86 V87Q79-Q83 WeakPolarHBondContact O-CG 3.44Å; Q79-Q83 PolarHBondContact O-N 2.87Å; Y80-Q83 PolarHBondContact O-N 3.32Å; Q83-R85 PolarHBondContact O-N 2.79Å; Q83-A86 PolarHBondContact O-N 2.94Å; Q83-V87 WeakPolarHBondContact O-CG2 3.43Å; Q83-V87 PolarHBondContact O-N 2.85Å
84R93.5Very high87.8Confident111 Ų11195.2 Ų95.242%0.41947%0.467SS..Hα-helixtrans-60.3-45.2177.1-168.5177.171.1-121.7-1.9111.7Y80 N81 L82 A86 V87 E88Y80-R84 PolarHBondContact O-N 3.19Å; N81-R84 PolarHBondContact O-N 3.3Å; N81-R84 PolarHBondContact OD1-NH1 2.79Å; N81-R84 PolarHBondContact OD1-NH2 2.91Å; L82-R84 PolarHBondContact O-N 2.7Å; R84-A86 VanDerWaalsContact C-N 3.34Å; R84-A86 PolarHBondContact O-N 3.25Å; R84-V87 PolarHBondContact O-N 2.65Å; R84-E88 IonicContact NE-OE1 3.76Å; R84-E88 WeakPolarHBondContact O-CG 3.42Å; R84-E88 PolarHBondContact O-N 3.48Å
85R91.1Very high86.2Confident68 Ų6894.8 Ų94.826%0.25748%0.479SS..Hα-helixtrans-63.4-38.9176.2-177.8170.5-70.8178.5-1.2112.2L58 N81 L82 Q83 V87 E88 Q89L58-R85 HydrophobicContact CD1-CB 4.25Å; N81-R85 WeakPolarHBondContact O-CB 3.39Å; N81-R85 PolarHBondContact O-N 3.13Å; L82-R85 PolarHBondContact O-N 2.79Å; Q83-R85 PolarHBondContact O-N 2.79Å; R85-V87 VanDerWaalsContact C-N 3.3Å; R85-V87 PolarHBondContact O-N 2.81Å; R85-E88 PolarHBondContact O-N 2.9Å; R85-Q89 HydrophobicContact CG-CG 4.34Å; R85-Q89 WeakPolarHBondContact O-CB 3.28Å; R85-Q89 VanDerWaalsContact O-CG 3.31Å; R85-Q89 WeakPolarHBondContact O-CG 3.36Å; R85-Q89 PolarHBondContact O-N 2.62Å
86A90.7Very high84.3Confident57 Ų5799.2 Ų99.247%0.47150%0.5SS..Hα-helixtrans-62.4-38.7175.200000111.8L82 Q83 R84 A90L82-A86 PolarHBondContact O-N 2.81Å; Q83-A86 PolarHBondContact O-N 2.94Å; R84-A86 VanDerWaalsContact C-N 3.34Å; R84-A86 PolarHBondContact O-N 3.25Å; A86-A90 VanDerWaalsContact O-CB 3.28Å; A86-A90 WeakPolarHBondContact O-CB 3.44Å; A86-A90 PolarHBondContact O-N 2.92Å
87V90.4Very high82Confident85 Ų8596.2 Ų96.252%0.51549%0.491SS..Hα-helixtrans-68.8-42.1175.5173.80000111.8Q83 R84 R85 A90 R91Q83-V87 WeakPolarHBondContact O-CG2 3.43Å; Q83-V87 PolarHBondContact O-N 2.85Å; R84-V87 PolarHBondContact O-N 2.65Å; R85-V87 VanDerWaalsContact C-N 3.3Å; R85-V87 PolarHBondContact O-N 2.81Å; V87-A90 PolarHBondContact O-N 3.05Å; V87-R91 WeakPolarHBondContact O-CG 3.35Å; V87-R91 PolarHBondContact O-N 2.84Å; V87-R91 VanDerWaalsContact O-N 3.08Å
88E88.7Confident80.1Confident92 Ų9295.3 Ų95.343%0.4349%0.489SS..Hα-helixtrans-63.5-45.1175.4-72.3165.3-176.100111.4R84 R85 A90 R91 E92R84-E88 IonicContact NE-OE1 3.76Å; R84-E88 WeakPolarHBondContact O-CG 3.42Å; R84-E88 PolarHBondContact O-N 3.48Å; R85-E88 PolarHBondContact O-N 2.9Å; E88-A90 VanDerWaalsContact C-N 3.33Å; E88-A90 PolarHBondContact O-N 3.41Å; E88-R91 WeakPolarHBondContact O-CB 3.4Å; E88-R91 PolarHBondContact O-N 3.07Å; E88-E92 PolarHBondContact O-N 3.42Å
89Q86Confident78.1Confident116 Ų116100.6 Ų100.654%0.54252%0.524SS..Hα-helixtrans-64.3-36.8175.6-73.7178.90.500112.6R85 R91 A93R85-Q89 HydrophobicContact CG-CG 4.34Å; R85-Q89 WeakPolarHBondContact O-CB 3.28Å; R85-Q89 VanDerWaalsContact O-CG 3.31Å; R85-Q89 WeakPolarHBondContact O-CG 3.36Å; R85-Q89 PolarHBondContact O-N 2.62Å; Q89-R91 PolarHBondContact O-N 2.92Å; Q89-A93 WeakPolarHBondContact O-CB 3.3Å; Q89-A93 PolarHBondContact O-N 3.36Å
90A84.8Confident76.2Confident66 Ų66105 Ų10555%0.54554%0.544SS..Hα-helixtrans-66.3-26.4173.500000112.6A86 V87 E88A86-A90 VanDerWaalsContact O-CB 3.28Å; A86-A90 WeakPolarHBondContact O-CB 3.44Å; A86-A90 PolarHBondContact O-N 2.92Å; V87-A90 PolarHBondContact O-N 3.05Å; E88-A90 VanDerWaalsContact C-N 3.33Å; E88-A90 PolarHBondContact O-N 3.41Å
91R82.9Confident74.3Confident206 Ų206107 Ų10778%0.77755%0.551SS**Hα-helixtrans-83.3-40176.2-76.6176.5152.6-169.7-6.9113.4V87 E88 Q89 A93V87-R91 WeakPolarHBondContact O-CG 3.35Å; V87-R91 PolarHBondContact O-N 2.84Å; V87-R91 VanDerWaalsContact O-N 3.08Å; E88-R91 WeakPolarHBondContact O-CB 3.4Å; E88-R91 PolarHBondContact O-N 3.07Å; Q89-R91 PolarHBondContact O-N 2.92Å; R91-A93 VanDerWaalsContact C-N 3.31Å
92E77.6Confident72.5Confident162 Ų162112 Ų11276%0.75758%0.582SS**Hα-helixtrans-77.9-18.1179.1-72.1-174.7167.300113E88 P94E88-E92 PolarHBondContact O-N 3.42Å; E92-P94 WeakPolarHBondContact O-CD 3.43Å; E92-P94 VanDerWaalsContact O-N 3.08Å
93A67.7Low70.9Confident22 Ų22118.2 Ų118.218%0.18261%0.606CS.*SBendtrans-56.1119.3170.500000108.9Q89 R91 S95 M97Q89-A93 WeakPolarHBondContact O-CB 3.3Å; Q89-A93 PolarHBondContact O-N 3.36Å; R91-A93 VanDerWaalsContact C-N 3.31Å; A93-S95 PolarHBondContact O-N 3.08Å; A93-M97 HydrophobicContact CB-CE 3.27Å; A93-M97 HydrophobicContact CB-CG 4.06Å; A93-M97 HydrophobicContact CB-SD 4.38Å
94P59.1Low69.4Low99 Ų99117.9 Ų117.964%0.64361%0.612SS**  trans-53.4136.6-175.818.4-29.6000109.1E92 T96 M97E92-P94 WeakPolarHBondContact O-CD 3.43Å; E92-P94 VanDerWaalsContact O-N 3.08Å; P94-T96 CarbonylContact O-C 3.52Å; P94-T96 PolarHBondContact O-N 3.05Å; P94-T96 PolarHBondContact O-OG1 3.4Å; P94-M97 PolarHBondContact O-N 3.39Å
95S54.4Low68.1Low129 Ų129120.2 Ų120.290%0.90263%0.628SS**SBendtrans-59.919.2-173.6-46.20000115.6A93A93-S95 PolarHBondContact O-N 3.08Å
96T53.5Low66.9Low118 Ų118122.5 Ų122.572%0.72465%0.652SS**  trans-85.427.1154.556.90000112.3P94 Q98P94-T96 CarbonylContact O-C 3.52Å; P94-T96 PolarHBondContact O-N 3.05Å; P94-T96 PolarHBondContact O-OG1 3.4Å; T96-Q98 PolarHBondContact O-N 3.02Å
97M45.2Very low65.8Low130 Ų130125.7 Ų125.764%0.6466%0.655SS**  trans-62.673.9162.5-82.1-94.8158.800108.5A93 P94A93-M97 HydrophobicContact CB-CE 3.27Å; A93-M97 HydrophobicContact CB-CG 4.06Å; A93-M97 HydrophobicContact CB-SD 4.38Å; P94-M97 PolarHBondContact O-N 3.39Å
98Q54.7Low64.9Low113 Ų113131.6 Ų131.653%0.52867%0.674SS.*  trans-48.2137.8149.9-75.6-176-7.400106.2T96 E100 R101T96-Q98 PolarHBondContact O-N 3.02Å; Q98-E100 PolarHBondContact O-N 2.94Å; Q98-E100 VanDerWaalsContact O-N 3.13Å; Q98-R101 VanDerWaalsContact OE1-CZ 3.3Å
99P51.1Low64.1Low118 Ų118131.6 Ų131.677%0.76667%0.672SS**SBendtrans-45.1128.4177.519.8-32.3000107.8R101P99-R101 PolarHBondContact O-N 2.88Å
100E54.4Low64Low173 Ų173133.5 Ų133.581%0.80869%0.685SS**  trans-31.8103.8-177.4-178.3163.1-178.600108.3Q98 V102Q98-E100 PolarHBondContact O-N 2.94Å; Q98-E100 VanDerWaalsContact O-N 3.13Å; E100-V102 PolarHBondContact O-N 2.67Å
101R54.3Low64.1Low184 Ų184136.9 Ų136.969%0.69469%0.687SS**  trans-58.8113.8-177-71.1-166.2-174.3173.35.4103.4Q98 P99 K103Q98-R101 VanDerWaalsContact OE1-CZ 3.3Å; P99-R101 PolarHBondContact O-N 2.88Å; R101-K103 PolarHBondContact O-N 3.28Å
102V57.5Low64.4Low121 Ų121130.8 Ų130.873%0.73367%0.669SS**  trans-34117171.71760000105.1E100 V104E100-V102 PolarHBondContact O-N 2.67Å; V102-V104 HydrophobicContact CG1-CG2 4.4Å; V102-V104 WeakPolarHBondContact O-CG2 3.35Å; V102-V104 PolarHBondContact O-N 3.42Å
103K58.6Low65.1Low192 Ų192124.2 Ų124.284%0.83565%0.645SS**  trans-60.286172-98.4175.3173.3-179.70105R101 E105R101-K103 PolarHBondContact O-N 3.28Å; K103-E105 VanDerWaalsContact C-N 3.26Å; K103-E105 PolarHBondContact O-N 3.01Å
104V61.7Low66.3Low113 Ų113132.7 Ų132.769%0.68567%0.672SS**  trans-66.5103171178.60000102V102 P106V102-V104 HydrophobicContact CG1-CG2 4.4Å; V102-V104 WeakPolarHBondContact O-CG2 3.35Å; V102-V104 PolarHBondContact O-N 3.42Å; V104-P106 WeakPolarHBondContact O-CD 3.33Å; V104-P106 VanDerWaalsContact O-N 3.11Å
105E65.5Low68.1Low160 Ų160128.2 Ų128.275%0.74864%0.643SS**  trans-51.2122.6173.3-66.7-174.7164.400106.5K103 K107K103-E105 VanDerWaalsContact C-N 3.26Å; K103-E105 PolarHBondContact O-N 3.01Å; E105-K107 VanDerWaalsContact C-N 3.34Å; E105-K107 PolarHBondContact O-N 2.94Å
106P66.2Low70Confident117 Ų117124 Ų12476%0.7662%0.619SS**  trans-63.2102.5-178.524.4-32000107.2V104 K108V104-P106 WeakPolarHBondContact O-CD 3.33Å; V104-P106 VanDerWaalsContact O-N 3.11Å; P106-K108 PolarHBondContact O-N 3.02Å
107K68.4Low72Confident124 Ų124125.3 Ų125.354%0.53961%0.612SS.*  trans-63.7124.4175.1-66.7178.1-173.5177.10106.8E105 F109E105-K107 VanDerWaalsContact C-N 3.34Å; E105-K107 PolarHBondContact O-N 2.94Å; K107-F109 HydrophobicContact CB-CD2 3.93Å; K107-F109 HydrophobicContact CB-CE1 4.24Å; K107-F109 HydrophobicContact CB-CE2 3.16Å; K107-F109 HydrophobicContact CB-CZ 3.37Å; K107-F109 HydrophobicContact CD-CE2 3.93Å; K107-F109 HydrophobicContact CD-CZ 3.53Å; K107-F109 HydrophobicContact CG-CE2 4.19Å; K107-F109 HydrophobicContact CG-CZ 4.09Å; K107-F109 WeakPolarHBondContact O-CD2 3.31Å; K107-F109 PolarHBondContact O-N 3.17Å
108K69.7Low74.5Confident208 Ų208125.1 Ų125.190%0.90461%0.608SS**  trans-81.1107.6179.9-66.2178.7-178.2175.50108P106P106-K108 PolarHBondContact O-N 3.02Å
109F73.8Confident76.5Confident93 Ų93122.3 Ų122.341%0.40860%0.598SS.*  trans-113.9150.5173.3-56-73.4000110.5K107 K111 E176K107-F109 HydrophobicContact CB-CD2 3.93Å; K107-F109 HydrophobicContact CB-CE1 4.24Å; K107-F109 HydrophobicContact CB-CE2 3.16Å; K107-F109 HydrophobicContact CB-CZ 3.37Å; K107-F109 HydrophobicContact CD-CE2 3.93Å; K107-F109 HydrophobicContact CD-CZ 3.53Å; K107-F109 HydrophobicContact CG-CE2 4.19Å; K107-F109 HydrophobicContact CG-CZ 4.09Å; K107-F109 WeakPolarHBondContact O-CD2 3.31Å; K107-F109 PolarHBondContact O-N 3.17Å; F109-K111 PolarHBondContact O-N 3.27Å; F109-E176 HydrophobicContact CD2-CB 4.47Å; F109-E176 HydrophobicContact CD2-CG 4.38Å; F109-E176 VanDerWaalsContact CE2-CD 3.5Å; F109-E176 HydrophobicContact CE2-CG 4.4Å; F109-E176 WeakPolarHBondContact CE2-OE2 3.27Å
110I83.9Confident78.6Confident156 Ų156119.1 Ų119.180%0.858%0.577SS**  trans-74.5121.6167.1-58.7170.9000106.6
111K86.3Confident80.5Confident136 Ų136119.2 Ų119.259%0.59157%0.574SS**  trans-76.4130.8178.7-64.7-179.2179.6176.20109.7F109 P177 E179F109-K111 PolarHBondContact O-N 3.27Å; K111-P177 VanDerWaalsContact CA-O 3.25Å; K111-P177 WeakPolarHBondContact CA-O 3.49Å; K111-E179 HydrophobicContact CB-CG 4.4Å; K111-E179 HydrophobicContact CD-CG 4.03Å
112I88.7Confident82.3Confident79 Ų79114.1 Ų114.141%0.40556%0.559SS.*  trans-82.6-19.2-177.658.8173.9000113.2E140 P177 Y178I112-E140 HydrophobicContact CD1-CB 3.83Å; I112-P177 HydrophobicContact CD1-CG 3.74Å; I112-P177 HydrophobicContact CG1-CG 3.94Å; I112-P177 HydrophobicContact CG2-CB 4.39Å; I112-P177 HydrophobicContact CG2-CG 3.96Å; I112-P177 PolarHBondContact N-O 3.31Å; I112-Y178 HydrophobicContact CD1-CD1 3.73Å; I112-Y178 HydrophobicContact CD1-CD2 3.97Å; I112-Y178 HydrophobicContact CD1-CE1 3.37Å; I112-Y178 HydrophobicContact CD1-CE2 3.65Å; I112-Y178 HydrophobicContact CD1-CG 4.03Å; I112-Y178 HydrophobicContact CG1-CD1 3.83Å; I112-Y178 HydrophobicContact CG1-CE1 3.91Å; I112-Y178 HydrophobicContact CG1-CG 4.18Å
113G92.7Very high83.9Confident24 Ų24114.3 Ų114.325%0.24755%0.549CS..  trans131.2-160-179.800000112.9E179G113-E179 PolarHBondContact O-N 3.41Å
114R93.7Very high85.2Confident199 Ų199108.2 Ų108.275%0.75153%0.526SS*.PPolyproline II helixtrans-88.1137.1-177.9-63.1179.7-178.9-178.70.2111.1E179R114-E179 HydrophobicContact CG-CB 4.39Å; R114-E179 VanDerWaalsContact CG-OE2 3.3Å; R114-E179 WeakPolarHBondContact CG-OE2 3.44Å; R114-E179 IonicContact NE-OE2 3.07Å
115P94.8Very high86.3Confident6 Ų6108 Ų1084%0.03953%0.527CS..PPolyproline II helixtrans-72.8156.717633.6-37.3000111.9I136 D137 Y138 Y178 I181P115-I136 HydrophobicContact CB-CG2 3.82Å; P115-I136 HydrophobicContact CG-CG2 3.9Å; P115-D137 WeakPolarHBondContact CB-O 3.25Å; P115-Y138 HydrophobicContact CB-CD1 3.58Å; P115-Y138 HydrophobicContact CB-CE1 3.38Å; P115-Y138 HydrophobicContact CG-CD1 4.32Å; P115-Y138 HydrophobicContact CG-CE1 3.6Å; P115-Y178 HydrophobicContact CB-CD1 3.84Å; P115-Y178 HydrophobicContact CB-CE1 4.21Å; P115-Y178 HydrophobicContact CB-CG 4.18Å; P115-I181 HydrophobicContact CG-CD1 3.93Å; P115-I181 HydrophobicContact CG-CG1 4.29Å; P115-I181 HydrophobicContact CG-CG2 3.91Å
116G95.3Very high87.2Confident39 Ų39107.5 Ų107.540%0.40253%0.529SS..EExtended strand (participates in β ladder)trans-70.2144.7170.700000110.8I136 D137G116-I136 WeakPolarHBondContact O-CA 3.47Å; G116-I136 WeakPolarHBondContact O-CG2 3.43Å; G116-D137 PolarHBondContact O-N 2.86Å
117Y96.1Very high88Confident147 Ų147103.8 Ų103.858%0.57651%0.508SS*.EExtended strand (participates in β ladder)trans-143.8151179.663.8-94.6000112.7V119 Q135 F183Y117-V119 HydrophobicContact CD2-CG2 4.17Å; Y117-Q135 CarbonylContact C-O 3.56Å; Y117-Q135 VanDerWaalsContact CA-O 3.29Å; Y117-Q135 WeakPolarHBondContact CA-O 3.4Å; Y117-F183 HydrophobicContact CD1-CZ 4.26Å; Y117-F183 AromaticContact CD2-CE1 3.64Å; Y117-F183 HydrophobicContact CD2-CE1 3.64Å; Y117-F183 AromaticContact CD2-CZ 3.71Å; Y117-F183 HydrophobicContact CD2-CZ 3.71Å; Y117-F183 AromaticContact CE2-CE1 3.82Å; Y117-F183 HydrophobicContact CE2-CE1 3.82Å; Y117-F183 HydrophobicContact CE2-CZ 4.3Å; Y117-F183 HydrophobicContact CG-CE1 4.07Å; Y117-F183 AromaticContact CG-CZ 3.69Å; Y117-F183 HydrophobicContact CG-CZ 3.69Å
118K96.8Very high88.7Confident126 Ų126102.3 Ų102.355%0.54851%0.507SS..EExtended strand (participates in β ladder)trans-133.6129.7170.7-177.1178.6-179.2-178.80109.1Q135K118-Q135 HydrophobicContact CB-CB 4.29Å; K118-Q135 PolarHBondContact N-O 3.24Å; K118-Q135 PolarHBondContact O-N 3.3Å
119V96.1Very high89.6Confident53 Ų5392.7 Ų92.732%0.32147%0.465SS..EExtended strand (participates in β ladder)trans-117.8123.4179.8-173.60000108.8Y117 M132 L133 F134 F183Y117-V119 HydrophobicContact CD2-CG2 4.17Å; V119-M132 HydrophobicContact CG1-CE 3.75Å; V119-L133 WeakPolarHBondContact CA-O 3.45Å; V119-F134 HydrophobicContact CB-CD1 4.5Å; V119-F134 HydrophobicContact CB-CE1 4.42Å; V119-F134 HydrophobicContact CG1-CD1 4.16Å; V119-F134 HydrophobicContact CG1-CE1 3.79Å; V119-F134 HydrophobicContact CG1-CZ 4.02Å; V119-F134 HydrophobicContact CG2-CD1 3.7Å; V119-F134 HydrophobicContact CG2-CE1 3.72Å; V119-F183 HydrophobicContact CG2-CD1 4.17Å; V119-F183 HydrophobicContact CG2-CE1 3.7Å; V119-F183 HydrophobicContact CG2-CZ 4.14Å
120T96.1Very high90.5Very high51 Ų5193 Ų9331%0.31347%0.467SS..EExtended strand (participates in β ladder)trans-114.4120.4177.5-50.80000108.7Q122 L133T120-Q122 HydrophobicContact CG2-CG 3.95Å; T120-L133 PolarHBondContact N-O 2.83Å; T120-L133 PolarHBondContact O-N 3.26Å
121K94.7Very high91Very high175 Ų17586 Ų8676%0.76143%0.433SS*.EExtended strand (participates in β ladder)trans-85.5126.8170.7-58.9-174.5-177.3-166.60107.7
122Q92.3Very high91.4Very high78 Ų7880.6 Ų80.636%0.36441%0.41SS..EExtended strand (participates in β ladder)trans-123.3155.6-177.8-70.1179.2-36.100109.2T120 S131T120-Q122 HydrophobicContact CG2-CG 3.95Å; Q122-S131 VanDerWaalsContact CB-OG 3.23Å; Q122-S131 WeakPolarHBondContact CB-OG 3.5Å; Q122-S131 PolarHBondContact N-O 2.92Å; Q122-S131 PolarHBondContact O-N 3.37Å; Q122-S131 PolarHBondContact O-OG 2.8Å
123K91.5Very high91.7Very high124 Ų12478.3 Ų78.354%0.53940%0.398SS..EExtended strand (participates in β ladder)trans-135.6120.7173.1-171.5-177.2177.3-1620106.7N128 Q129K123-N128 WeakPolarHBondContact CE-O 3.36Å; K123-N128 WeakPolarHBondContact CE-OD1 3.42Å; K123-N128 PolarHBondContact NZ-OD1 3.17Å; K123-Q129 WeakPolarHBondContact CA-O 3.12Å
124D85.7Confident91.9Very high65 Ų6577.3 Ų77.335%0.34839%0.387SS..  trans-66121.9176.6-170.8-8.6000108.9D126 A127 N128 Q129D124-D126 VanDerWaalsContact C-N 3.29Å; D124-D126 PolarHBondContact O-N 2.87Å; D124-D126 PolarHBondContact OD1-N 2.69Å; D124-A127 HydrophobicContact CB-CB 4.4Å; D124-N128 WeakPolarHBondContact O-CA 3.21Å; D124-N128 PolarHBondContact O-N 3.23Å; D124-Q129 HydrophobicContact CB-CB 4.44Å; D124-Q129 PolarHBondContact N-O 2.89Å
125P84Confident92.1Very high107 Ų10769.7 Ų69.770%0.69536%0.36SS*.THydrogen-bonded Turntrans-63-33.8-177.824.4-34.8000113
126D84.4Confident92.2Very high150 Ų15069.4 Ų69.480%0.80236%0.358SS*.THydrogen-bonded Turntrans-81.3-49.3-174.2-62.1-42.9000111.2D124D124-D126 VanDerWaalsContact C-N 3.29Å; D124-D126 PolarHBondContact O-N 2.87Å; D124-D126 PolarHBondContact OD1-N 2.69Å
127A82.1Confident92.1Very high39 Ų3970 Ų7032%0.32235%0.352SS..THydrogen-bonded Turntrans-86.3-8.7-177.100000113.8D124 Q129 L216D124-A127 HydrophobicContact CB-CB 4.4Å; A127-Q129 HydrophobicContact CB-CB 3.95Å; A127-Q129 PolarHBondContact O-N 3.29Å; A127-L216 WeakPolarHBondContact O-CD2 3.42Å
128N85.1Confident92Very high94 Ų9463 Ų6350%0.50333%0.325SS..  trans5219.6-167.1-86.2-55.6000113.9K123 D124K123-N128 WeakPolarHBondContact CE-O 3.36Å; K123-N128 WeakPolarHBondContact CE-OD1 3.42Å; K123-N128 PolarHBondContact NZ-OD1 3.17Å; D124-N128 WeakPolarHBondContact O-CA 3.21Å; D124-N128 PolarHBondContact O-N 3.23Å
129Q88.4Confident91.8Very high5 Ų560.8 Ų60.82%0.02332%0.323CS..  trans-81.4130-174-162.8172.3400109.6K123 D124 A127 D191 A213 F214 L216K123-Q129 WeakPolarHBondContact CA-O 3.12Å; D124-Q129 HydrophobicContact CB-CB 4.44Å; D124-Q129 PolarHBondContact N-O 2.89Å; A127-Q129 HydrophobicContact CB-CB 3.95Å; A127-Q129 PolarHBondContact O-N 3.29Å; Q129-D191 PolarHBondContact NE2-OD2 3.36Å; Q129-A213 HydrophobicContact CG-CB 4.14Å; Q129-F214 VanDerWaalsContact CD-O 3.29Å; Q129-F214 WeakPolarHBondContact CG-O 3.39Å; Q129-F214 PolarHBondContact NE2-O 2.82Å; Q129-L216 HydrophobicContact CB-CD1 4.19Å; Q129-L216 HydrophobicContact CG-CD1 4.17Å; Q129-L216 HydrophobicContact CG-CG 4.39Å
130Q92.6Very high91.4Very high99 Ų9964.5 Ų64.546%0.46334%0.337SS..EExtended strand (participates in β ladder)trans-78.9130.2176.9-67.5-178.3-34.300110F214Q130-F214 HydrophobicContact CB-CD2 4.21Å; Q130-F214 PolarHBondContact O-N 2.97Å
131S93.5Very high91Very high11 Ų1162.4 Ų62.48%0.07732%0.324CS..EExtended strand (participates in β ladder)trans-129.1159.217756.40000111.6Q122 F212Q122-S131 VanDerWaalsContact CB-OG 3.23Å; Q122-S131 WeakPolarHBondContact CB-OG 3.5Å; Q122-S131 PolarHBondContact N-O 2.92Å; Q122-S131 PolarHBondContact O-N 3.37Å; Q122-S131 PolarHBondContact O-OG 2.8Å; S131-F212 CarbonylContact C-O 3.56Å; S131-F212 VanDerWaalsContact CA-O 3.22Å; S131-F212 WeakPolarHBondContact CA-O 3.22Å; S131-F212 VanDerWaalsContact CB-O 3.26Å; S131-F212 WeakPolarHBondContact CB-O 3.32Å
132M94.6Very high90.3Very high21 Ų2155.5 Ų55.510%0.10330%0.3CS..EExtended strand (participates in β ladder)trans-130.9131.6176.4-64-174.170.700109.1V119 F134 I185 Q211 F212 F214V119-M132 HydrophobicContact CG1-CE 3.75Å; M132-F134 HydrophobicContact CB-CD2 4.32Å; M132-F134 HydrophobicContact CB-CE2 3.63Å; M132-F134 HydrophobicContact CB-CZ 4.4Å; M132-F134 HydrophobicContact CE-CE1 4.47Å; M132-F134 HydrophobicContact CE-CE2 3.99Å; M132-F134 HydrophobicContact CE-CZ 3.56Å; M132-F134 HydrophobicContact SD-CE2 4.4Å; M132-F134 HydrophobicContact SD-CZ 4.37Å; M132-I185 HydrophobicContact CE-CG2 4.39Å; M132-I185 HydrophobicContact SD-CG2 4.15Å; M132-Q211 WeakPolarHBondContact O-CA 3.35Å; M132-F212 HydrophobicContact CB-CE1 4.16Å; M132-F212 HydrophobicContact CB-CZ 4.06Å; M132-F212 HydrophobicContact CG-CZ 4.39Å; M132-F212 PolarHBondContact N-O 3.35Å; M132-F212 PolarHBondContact O-N 3.26Å; M132-F212 VanDerWaalsContact O-N 3.08Å; M132-F212 HydrophobicContact SD-CZ 4.11Å; M132-F214 HydrophobicContact CG-CE2 4.11Å; M132-F214 HydrophobicContact SD-CE2 3.96Å; M132-F214 HydrophobicContact SD-CZ 4.09Å
133L95.7Very high89.5Confident32 Ų3255.2 Ų55.217%0.16830%0.301CS..EExtended strand (participates in β ladder)trans-110.3123.1172.8174.666.6000108.8V119 T120 W198 F209 Q211V119-L133 WeakPolarHBondContact CA-O 3.45Å; T120-L133 PolarHBondContact N-O 2.83Å; T120-L133 PolarHBondContact O-N 3.26Å; L133-W198 HydrophobicContact CD1-CH2 4.18Å; L133-W198 HydrophobicContact CD1-CZ2 4.37Å; L133-F209 HydrophobicContact CD1-CD1 4.46Å; L133-Q211 HydrophobicContact CD1-CB 3.95Å
134F97.1Very high88.1Confident2 Ų254.6 Ų54.61%0.00932%0.318CS..EExtended strand (participates in β ladder)trans-107128.7174.6-67.8-96.5000108.8V119 M132 I136 L171 F173 F183 I185 F209 L210 F212V119-F134 HydrophobicContact CB-CD1 4.5Å; V119-F134 HydrophobicContact CB-CE1 4.42Å; V119-F134 HydrophobicContact CG1-CD1 4.16Å; V119-F134 HydrophobicContact CG1-CE1 3.79Å; V119-F134 HydrophobicContact CG1-CZ 4.02Å; V119-F134 HydrophobicContact CG2-CD1 3.7Å; V119-F134 HydrophobicContact CG2-CE1 3.72Å; M132-F134 HydrophobicContact CB-CD2 4.32Å; M132-F134 HydrophobicContact CB-CE2 3.63Å; M132-F134 HydrophobicContact CB-CZ 4.4Å; M132-F134 HydrophobicContact CE-CE1 4.47Å; M132-F134 HydrophobicContact CE-CE2 3.99Å; M132-F134 HydrophobicContact CE-CZ 3.56Å; M132-F134 HydrophobicContact SD-CE2 4.4Å; M132-F134 HydrophobicContact SD-CZ 4.37Å; F134-I136 HydrophobicContact CB-CD1 3.97Å; F134-L171 HydrophobicContact CD2-CD2 3.96Å; F134-L171 HydrophobicContact CE1-CD2 4.42Å; F134-L171 HydrophobicContact CE2-CD2 3.75Å; F134-L171 HydrophobicContact CG-CD2 4.4Å; F134-L171 HydrophobicContact CZ-CD2 3.97Å; F134-F173 HydrophobicContact CB-CE2 4.26Å; F134-F173 HydrophobicContact CB-CZ 3.71Å; F134-F173 AromaticContact CD1-CE2 3.99Å; F134-F173 HydrophobicContact CD1-CE2 3.99Å; F134-F173 HydrophobicContact CD1-CZ 4.23Å; F134-F173 HydrophobicContact CG-CE2 4.13Å; F134-F173 AromaticContact CG-CZ 3.9Å; F134-F173 HydrophobicContact CG-CZ 3.9Å; F134-F183 HydrophobicContact CD1-CD1 4.47Å; F134-F183 AromaticContact CD1-CD2 3.77Å; F134-F183 HydrophobicContact CD1-CD2 3.77Å; F134-F183 AromaticContact CD1-CE2 3.8Å; F134-F183 HydrophobicContact CD1-CE2 3.8Å; F134-F183 HydrophobicContact CD1-CG 4.11Å; F134-F183 HydrophobicContact CD1-CZ 4.18Å; F134-F183 HydrophobicContact CE1-CB 3.8Å; F134-F183 AromaticContact CE1-CD1 3.85Å; F134-F183 HydrophobicContact CE1-CD1 3.85Å; F134-F183 AromaticContact CE1-CD2 3.57Å; F134-F183 HydrophobicContact CE1-CD2 3.57Å; F134-F183 HydrophobicContact CE1-CE1 4.29Å; F134-F183 HydrophobicContact CE1-CE2 4.02Å; F134-F183 AromaticContact CE1-CG 3.46Å; F134-F183 HydrophobicContact CE1-CG 3.46Å; F134-F183 VanDerWaalsContact CE1-CG 3.46Å; F134-F183 HydrophobicContact CE1-CZ 4.36Å; F134-F183 HydrophobicContact CZ-CB 4.28Å; F134-F183 HydrophobicContact CZ-CG 4.39Å; F134-I185 HydrophobicContact CZ-CG2 4.32Å; F134-F209 VanDerWaalsContact O-CA 3.31Å; F134-F209 WeakPolarHBondContact O-CA 3.29Å; F134-L210 HydrophobicContact CB-CB 4.45Å; F134-L210 PolarHBondContact N-O 3.16Å; F134-L210 PolarHBondContact O-N 2.61Å; F134-F212 HydrophobicContact CD2-CE1 4.09Å; F134-F212 HydrophobicContact CE2-CD1 4.36Å; F134-F212 AromaticContact CE2-CE1 3.49Å; F134-F212 HydrophobicContact CE2-CE1 3.49Å; F134-F212 VanDerWaalsContact CE2-CE1 3.49Å; F134-F212 HydrophobicContact CE2-CZ 4.15Å; F134-F212 HydrophobicContact CZ-CE1 4.43Å
135Q96.7Very high87.6Confident40 Ų4054.5 Ų54.519%0.18732%0.323CS..EExtended strand (participates in β ladder)trans-117.7124.4169.1175.7-174.8-15.400107.4Y117 K118 D137 Q207 F208 F209Y117-Q135 CarbonylContact C-O 3.56Å; Y117-Q135 VanDerWaalsContact CA-O 3.29Å; Y117-Q135 WeakPolarHBondContact CA-O 3.4Å; K118-Q135 HydrophobicContact CB-CB 4.29Å; K118-Q135 PolarHBondContact N-O 3.24Å; K118-Q135 PolarHBondContact O-N 3.3Å; Q135-D137 PolarHBondContact NE2-OD1 3.37Å; Q135-Q207 VanDerWaalsContact NE2-NE2 3.16Å; Q135-F208 CarbonylContact C-O 3.6Å; Q135-F208 WeakPolarHBondContact CA-O 3.35Å; Q135-F209 HydrophobicContact CB-CD1 4.07Å; Q135-F209 HydrophobicContact CB-CE1 3.9Å; Q135-F209 HydrophobicContact CG-CD1 4.19Å; Q135-F209 HydrophobicContact CG-CE1 3.62Å; Q135-F209 HydrophobicContact CG-CZ 4.04Å
136I96.5Very high87.4Confident0 Ų052.4 Ų52.40%032%0.32CS..EExtended strand (participates in β ladder)trans-122.4125.6178-54.591.2000108.3P115 G116 F134 Y138 F173 I181 Q207 F208P115-I136 HydrophobicContact CB-CG2 3.82Å; P115-I136 HydrophobicContact CG-CG2 3.9Å; G116-I136 WeakPolarHBondContact O-CA 3.47Å; G116-I136 WeakPolarHBondContact O-CG2 3.43Å; F134-I136 HydrophobicContact CB-CD1 3.97Å; I136-Y138 HydrophobicContact CB-CE2 3.97Å; I136-Y138 HydrophobicContact CG2-CD1 4.37Å; I136-Y138 HydrophobicContact CG2-CD2 4.07Å; I136-Y138 HydrophobicContact CG2-CE1 3.89Å; I136-Y138 HydrophobicContact CG2-CE2 3.49Å; I136-Y138 VanDerWaalsContact CG2-CE2 3.49Å; I136-Y138 HydrophobicContact CG2-CG 4.49Å; I136-F173 HydrophobicContact CD1-CD1 3.53Å; I136-F173 HydrophobicContact CD1-CD2 4.08Å; I136-F173 HydrophobicContact CD1-CE1 3.4Å; I136-F173 VanDerWaalsContact CD1-CE1 3.4Å; I136-F173 HydrophobicContact CD1-CE2 3.97Å; I136-F173 HydrophobicContact CD1-CG 3.85Å; I136-F173 HydrophobicContact CD1-CZ 3.63Å; I136-F173 HydrophobicContact CG1-CD1 4.35Å; I136-F173 HydrophobicContact CG1-CD2 4.44Å; I136-F173 HydrophobicContact CG1-CG 4.25Å; I136-I181 HydrophobicContact CG1-CD1 4.22Å; I136-I181 HydrophobicContact CG2-CD1 4.25Å; I136-Q207 WeakPolarHBondContact O-CA 3.43Å; I136-F208 HydrophobicContact CB-CB 4.47Å; I136-F208 HydrophobicContact CD1-CD1 4.14Å; I136-F208 PolarHBondContact N-O 3.29Å; I136-F208 PolarHBondContact O-N 2.9Å
137D95.2Very high87.3Confident51 Ų5146.7 Ų46.727%0.27329%0.291SS..EExtended strand (participates in β ladder)trans-97124.6-178.9-57.7-46.2000109.5P115 G116 Q135 P139 Q207P115-D137 WeakPolarHBondContact CB-O 3.25Å; G116-D137 PolarHBondContact O-N 2.86Å; Q135-D137 PolarHBondContact NE2-OD1 3.37Å; D137-P139 VanDerWaalsContact C-CD 3.4Å; D137-P139 WeakPolarHBondContact O-CD 3.44Å; D137-Q207 VanDerWaalsContact OD1-CG 3.23Å; D137-Q207 WeakPolarHBondContact OD1-CG 3.42Å; D137-Q207 PolarHBondContact OD1-NE2 3.44Å
138Y94Very high87.7Confident0 Ų049.9 Ų49.90%030%0.302CS..  trans-12460.9-178.6-67.9-63.8000111.8P115 I136 E140 I141 P149 A175 Y178 W201 K206 F208P115-Y138 HydrophobicContact CB-CD1 3.58Å; P115-Y138 HydrophobicContact CB-CE1 3.38Å; P115-Y138 HydrophobicContact CG-CD1 4.32Å; P115-Y138 HydrophobicContact CG-CE1 3.6Å; I136-Y138 HydrophobicContact CB-CE2 3.97Å; I136-Y138 HydrophobicContact CG2-CD1 4.37Å; I136-Y138 HydrophobicContact CG2-CD2 4.07Å; I136-Y138 HydrophobicContact CG2-CE1 3.89Å; I136-Y138 HydrophobicContact CG2-CE2 3.49Å; I136-Y138 VanDerWaalsContact CG2-CE2 3.49Å; I136-Y138 HydrophobicContact CG2-CG 4.49Å; Y138-E140 PolarHBondContact O-N 3.3Å; Y138-E140 VanDerWaalsContact O-N 3.12Å; Y138-I141 PolarHBondContact O-N 2.97Å; Y138-I141 VanDerWaalsContact O-N 3.17Å; Y138-P149 HydrophobicContact CD2-CB 4.27Å; Y138-P149 HydrophobicContact CD2-CG 3.73Å; Y138-P149 HydrophobicContact CE2-CB 3.78Å; Y138-P149 HydrophobicContact CE2-CG 3.78Å; Y138-A175 HydrophobicContact CD1-CB 4.12Å; Y138-A175 HydrophobicContact CD2-CB 4.32Å; Y138-A175 HydrophobicContact CE1-CB 3.72Å; Y138-A175 HydrophobicContact CE2-CB 3.98Å; Y138-A175 HydrophobicContact CG-CB 4.37Å; Y138-Y178 HydrophobicContact CD1-CD1 4.4Å; Y138-Y178 AromaticContact CD1-CD2 3.3Å; Y138-Y178 HydrophobicContact CD1-CD2 3.3Å; Y138-Y178 AromaticContact CD1-CE2 3.59Å; Y138-Y178 HydrophobicContact CD1-CE2 3.59Å; Y138-Y178 AromaticContact CD1-CG 3.73Å; Y138-Y178 HydrophobicContact CD1-CG 3.73Å; Y138-Y178 AromaticContact CE1-CD2 3.9Å; Y138-Y178 HydrophobicContact CE1-CD2 3.9Å; Y138-Y178 AromaticContact CE1-CG 3.95Å; Y138-Y178 HydrophobicContact CE1-CG 3.95Å; Y138-Y178 HydrophobicContact CG-CD2 4.29Å; Y138-Y178 HydrophobicContact CG-CE2 4.27Å; Y138-W201 HydrophobicContact CD2-CH2 4.36Å; Y138-W201 AromaticContact CD2-CZ3 3.98Å; Y138-W201 HydrophobicContact CD2-CZ3 3.98Å; Y138-K206 PolarHBondContact N-O 3.4Å; Y138-K206 VanDerWaalsContact O-CB 3.31Å; Y138-K206 WeakPolarHBondContact O-CB 3.47Å; Y138-F208 HydrophobicContact CD2-CB 4.29Å; Y138-F208 HydrophobicContact CE2-CB 4.11Å
139P91.9Very high88.1Confident80 Ų8045.7 Ų45.752%0.51928%0.28SS..THydrogen-bonded Turntrans-57-31-173.822.5-33.9000114.3D137 Y178 K206D137-P139 VanDerWaalsContact C-CD 3.4Å; D137-P139 WeakPolarHBondContact O-CD 3.44Å; P139-Y178 VanDerWaalsContact CD-OH 3.25Å; P139-Y178 WeakPolarHBondContact CD-OH 3.49Å; P139-Y178 WeakPolarHBondContact CG-OH 3.15Å; P139-K206 WeakPolarHBondContact O-CD 3.44Å; P139-K206 WeakPolarHBondContact O-CE 3.49Å; P139-K206 PolarHBondContact O-NZ 3.01Å
140E88.4Confident88.3Confident130 Ų13054.8 Ų54.861%0.60731%0.314SS*.THydrogen-bonded Turntrans-111.234.1-178.7-61178.8-15700112.5I112 Y138 P177 Y178I112-E140 HydrophobicContact CD1-CB 3.83Å; Y138-E140 PolarHBondContact O-N 3.3Å; Y138-E140 VanDerWaalsContact O-N 3.12Å; E140-P177 WeakPolarHBondContact O-CD 3.48Å; E140-Y178 PolarHBondContact N-OH 2.93Å
141I87.7Confident88.4Confident7 Ų753.3 Ų53.34%0.03631%0.307CS..  trans-62145.2171.4-166.2165.6000110.5Y138 D143 V147 P149 A175 W201 K206Y138-I141 PolarHBondContact O-N 2.97Å; Y138-I141 VanDerWaalsContact O-N 3.17Å; I141-D143 WeakPolarHBondContact CG2-OD1 3.48Å; I141-D143 PolarHBondContact O-N 3.45Å; I141-V147 WeakPolarHBondContact CD1-O 3.47Å; I141-P149 HydrophobicContact CD1-CG 3.83Å; I141-A175 HydrophobicContact CD1-CB 4.09Å; I141-W201 HydrophobicContact CD1-CH2 3.98Å; I141-W201 HydrophobicContact CD1-CZ2 3.93Å; I141-W201 HydrophobicContact CG2-CH2 4.28Å; I141-W201 HydrophobicContact CG2-CZ2 4.14Å; I141-K206 HydrophobicContact CG2-CD 4.21Å
142A79.9Confident88.5Confident31 Ų3159.5 Ų59.526%0.25633%0.328SS..  trans-72.368.5178.700000111.6A144 S145 E176A142-A144 PolarHBondContact O-N 3.2Å; A142-A144 VanDerWaalsContact O-N 3.14Å; A142-S145 PolarHBondContact O-N 3.47Å; A142-E176 PolarHBondContact N-O 3.42Å
143D74.2Confident88.4Confident72 Ų7261.4 Ų61.439%0.38534%0.336SS..G310 helixtrans-52.4-37.4-178.3-68.7-47.4000111.8I141 S145 G146 K206I141-D143 WeakPolarHBondContact CG2-OD1 3.48Å; I141-D143 PolarHBondContact O-N 3.45Å; D143-S145 PolarHBondContact O-N 2.93Å; D143-G146 PolarHBondContact O-N 3.49Å; D143-K206 WeakPolarHBondContact OD2-CE 3.42Å; D143-K206 IonicContact OD2-NZ 3.71Å; D143-K206 PolarHBondContact OD2-NZ 3.32Å
144A63.1Low88.3Confident110 Ų11061.4 Ų61.491%0.90934%0.336SS*.G310 helixtrans-57.4-23.4178.600000113.9A142A142-A144 PolarHBondContact O-N 3.2Å; A142-A144 VanDerWaalsContact O-N 3.14Å
145S74Confident88.1Confident64 Ų6463.3 Ų63.345%0.44835%0.349SS..G310 helixtrans-96.2-0.1178.3-690000113.7A142 D143 V147A142-S145 PolarHBondContact O-N 3.47Å; D143-S145 PolarHBondContact O-N 2.93Å; S145-V147 VanDerWaalsContact C-N 3.25Å; S145-V147 PolarHBondContact O-N 3.42Å
146G80.2Confident87.8Confident62 Ų6261.5 Ų61.564%0.63934%0.341SS*.THydrogen-bonded Turntrans64.527.7-177.100000113.6D143 I148D143-G146 PolarHBondContact O-N 3.49Å; G146-I148 PolarHBondContact O-N 2.87Å
147V82.4Confident87.6Confident31 Ų3168.8 Ų68.819%0.18837%0.37CS..PPolyproline II helixtrans-74.8122-176.3178.60000109.9I141 S145 E176I141-V147 WeakPolarHBondContact CD1-O 3.47Å; S145-V147 VanDerWaalsContact C-N 3.25Å; S145-V147 PolarHBondContact O-N 3.42Å; V147-E176 HydrophobicContact CG1-CB 4.44Å
148I90.4Very high87.3Confident106 Ų10670.3 Ų70.354%0.54438%0.375SS..PPolyproline II helixtrans-102.4131.4172.8-58.6172.9000108.3G146 W201G146-I148 PolarHBondContact O-N 2.87Å; I148-W201 HydrophobicContact CG2-CB 4.32Å; I148-W201 HydrophobicContact CG2-CG 4.26Å
149P93.6Very high87Confident6 Ų671.3 Ų71.34%0.03938%0.38CS..PPolyproline II helixtrans-55.5140.8175.7-25.634.9000112.3Y138 I141 A175 W201 F208Y138-P149 HydrophobicContact CD2-CB 4.27Å; Y138-P149 HydrophobicContact CD2-CG 3.73Å; Y138-P149 HydrophobicContact CE2-CB 3.78Å; Y138-P149 HydrophobicContact CE2-CG 3.78Å; I141-P149 HydrophobicContact CD1-CG 3.83Å; P149-A175 HydrophobicContact CB-CB 4.03Å; P149-A175 HydrophobicContact CG-CB 4.03Å; P149-W201 HydrophobicContact CG-CD2 4.02Å; P149-W201 HydrophobicContact CG-CE3 3.62Å; P149-W201 HydrophobicContact CG-CH2 3.97Å; P149-W201 HydrophobicContact CG-CZ2 4.35Å; P149-W201 HydrophobicContact CG-CZ3 3.6Å; P149-F208 HydrophobicContact CB-CB 4.18Å; P149-F208 HydrophobicContact CB-CD1 4.4Å; P149-F208 HydrophobicContact CB-CD2 3.81Å; P149-F208 HydrophobicContact CB-CE2 4.28Å; P149-F208 HydrophobicContact CB-CG 3.87Å; P149-F208 HydrophobicContact CG-CB 4.26Å; P149-F208 HydrophobicContact CG-CD2 4.21Å; P149-F208 HydrophobicContact CG-CG 4.37Å
150R93.5Very high86.8Confident195 Ų19576 Ų7674%0.73640%0.395SS*.EExtended strand (participates in β ladder)trans-118.1152.8179.8-62.6-172.9176.9-151.1-1.2110.4F173 A174R150-F173 WeakPolarHBondContact O-CA 3.2Å; R150-A174 PolarHBondContact N-O 3.43Å; R150-A174 PolarHBondContact O-N 3.35Å
151H94.5Very high86.8Confident69 Ų6976.4 Ų76.432%0.31941%0.405SS..EExtended strand (participates in β ladder)trans-127.9155.6174.571.7-76.2000111.2L172 F173 T199 F208H151-L172 CarbonylContact C-O 3.6Å; H151-L172 WeakPolarHBondContact CA-O 3.38Å; H151-L172 WeakPolarHBondContact CB-O 3.43Å; H151-F173 HydrophobicContact CB-CD1 3.95Å; H151-F173 HydrophobicContact CB-CE1 4.04Å; H151-T199 WeakPolarHBondContact CE1-CG2 3.36Å; H151-F208 HydrophobicContact CB-CE1 4.37Å
152R94.3Very high86.9Confident141 Ų14180.1 Ų80.153%0.53242%0.423SS..EExtended strand (participates in β ladder)trans-151.5136.7174.3179.4174176.7-156.4-7.5110.5E158 L172R152-E158 IonicContact CZ-OE2 3.15Å; R152-E158 IonicContact NH1-OE2 3.55Å; R152-E158 IonicContact NH2-OE1 2.74Å; R152-E158 IonicContact NH2-OE2 2.81Å; R152-E158 PolarHBondContact NH2-OE2 3.15Å; R152-L172 PolarHBondContact N-O 3.46Å; R152-L172 PolarHBondContact O-N 3.28Å
153F93.7Very high87.5Confident61 Ų6184 Ų8427%0.26845%0.445SS..EExtended strand (participates in β ladder)trans-81.7127.5163.3-67.5-90.6000109.2L171 I185 V190 F212F153-L171 HydrophobicContact CD1-CB 4.46Å; F153-L171 HydrophobicContact CD1-CD1 4.1Å; F153-L171 HydrophobicContact CD2-CD1 4.26Å; F153-L171 HydrophobicContact CE1-CB 4.42Å; F153-L171 HydrophobicContact CE1-CD1 3.93Å; F153-L171 HydrophobicContact CE2-CD1 4.09Å; F153-L171 HydrophobicContact CG-CD1 4.26Å; F153-L171 HydrophobicContact CZ-CD1 3.92Å; F153-I185 HydrophobicContact CD1-CD1 3.81Å; F153-I185 HydrophobicContact CE1-CD1 3.61Å; F153-V190 HydrophobicContact CE1-CG2 3.92Å; F153-V190 HydrophobicContact CZ-CG2 4.1Å; F153-F212 HydrophobicContact CE1-CE1 4.27Å; F153-F212 HydrophobicContact CE1-CZ 4.36Å; F153-F212 HydrophobicContact CZ-CD1 4.04Å; F153-F212 HydrophobicContact CZ-CE1 4.22Å; F153-F212 HydrophobicContact CZ-CG 4.28Å
154M93Very high88.3Confident32 Ų3284.3 Ų84.316%0.15845%0.451CS..EExtended strand (participates in β ladder)trans-123.8138.9-178.8-176.4169.266.600109.7E158 Q159 Y170 L172M154-E158 HydrophobicContact CG-CB 3.51Å; M154-E158 HydrophobicContact CG-CG 4.27Å; M154-E158 HydrophobicContact SD-CB 3.84Å; M154-Q159 HydrophobicContact CE-CB 3.85Å; M154-Y170 PolarHBondContact N-O 3.03Å; M154-Y170 PolarHBondContact O-N 2.84Å; M154-L172 HydrophobicContact CB-CD1 3.32Å; M154-L172 HydrophobicContact CE-CD1 3.51Å; M154-L172 HydrophobicContact CE-CD2 3.75Å; M154-L172 HydrophobicContact CE-CG 4.14Å; M154-L172 HydrophobicContact CG-CD1 4.26Å; M154-L172 HydrophobicContact SD-CD1 4.12Å; M154-L172 HydrophobicContact SD-CD2 4.31Å
155S92.5Very high89.6Confident41 Ų4181.1 Ų81.129%0.28742%0.419SS..EExtended strand (participates in β ladder)trans-74.8157.5177.567.90000111.6Y157 E158S155-Y157 PolarHBondContact O-N 3Å; S155-E158 PolarHBondContact N-OE1 3.19Å; S155-E158 PolarHBondContact O-N 3.22Å; S155-E158 WeakPolarHBondContact OG-CG 3.45Å; S155-E158 PolarHBondContact OG-OE1 2.82Å
156A91.7Very high90.5Very high3 Ų385.6 Ų85.63%0.02543%0.43CS..THydrogen-bonded Turntrans-63.6-17.8176.900000114.4Q159 P164 D165 W168 Y170A156-Q159 WeakPolarHBondContact O-CG 3.29Å; A156-Q159 PolarHBondContact O-NE2 3.06Å; A156-P164 WeakPolarHBondContact O-CB 3.28Å; A156-D165 WeakPolarHBondContact CB-O 3.38Å; A156-W168 WeakPolarHBondContact CB-O 3.4Å; A156-Y170 HydrophobicContact CB-CE2 4.17Å
157Y90.5Very high91.1Very high153 Ų15391 Ų9160%0.643%0.431SS*.THydrogen-bonded Turntrans-84.2-16.3178.9-60.8-78.3000113.6S155 P164S155-Y157 PolarHBondContact O-N 3Å; Y157-P164 HydrophobicContact CD1-CB 3.83Å; Y157-P164 HydrophobicContact CD1-CG 4.43Å; Y157-P164 HydrophobicContact CE1-CB 4.13Å
158E89.6Confident91.6Very high82 Ų8293.6 Ų93.638%0.38344%0.438SS..THydrogen-bonded Turntrans-85.9-24.1178.4-75.3171.1-106.600112.6R152 M154 S155 H160R152-E158 IonicContact CZ-OE2 3.15Å; R152-E158 IonicContact NH1-OE2 3.55Å; R152-E158 IonicContact NH2-OE1 2.74Å; R152-E158 IonicContact NH2-OE2 2.81Å; R152-E158 PolarHBondContact NH2-OE2 3.15Å; M154-E158 HydrophobicContact CG-CB 3.51Å; M154-E158 HydrophobicContact CG-CG 4.27Å; M154-E158 HydrophobicContact SD-CB 3.84Å; S155-E158 PolarHBondContact N-OE1 3.19Å; S155-E158 PolarHBondContact O-N 3.22Å; S155-E158 WeakPolarHBondContact OG-CG 3.45Å; S155-E158 PolarHBondContact OG-OE1 2.82Å; E158-H160 PolarHBondContact O-CE1 3.3Å; E158-H160 PolarHBondContact O-ND1 2.92Å; E158-H160 VanDerWaalsContact O-ND1 3.15Å
159Q86.8Confident91.7Very high22 Ų2291.3 Ų91.310%0.10343%0.425CS..  trans-87148.5178.468.47535.700111.1M154 A156 E162 Y170M154-Q159 HydrophobicContact CE-CB 3.85Å; A156-Q159 WeakPolarHBondContact O-CG 3.29Å; A156-Q159 PolarHBondContact O-NE2 3.06Å; Q159-E162 PolarHBondContact NE2-O 2.76Å; Q159-E162 PolarHBondContact OE1-O 3.18Å; Q159-Y170 HydrophobicContact CG-CD2 3.92Å; Q159-Y170 HydrophobicContact CG-CE2 3.7Å
160H88.7Confident91.8Very high179 Ų17992 Ų9283%0.82943%0.427SS*.  trans-121.313.5-175.3-61.977.5000112.7E158E158-H160 PolarHBondContact O-CE1 3.3Å; E158-H160 PolarHBondContact O-ND1 2.92Å; E158-H160 VanDerWaalsContact O-ND1 3.15Å
161V88.8Confident91.9Very high137 Ų13782.7 Ų82.783%0.8339%0.392SS*.SBendtrans-91.2-46.7-175.5-179.20000110.7
162E89.5Confident92Very high85 Ų8580.9 Ų80.940%0.39738%0.384SS..SBendtrans-109.4158176.5-65.4-176.617300110.1Q159 Y170 K184Q159-E162 PolarHBondContact NE2-O 2.76Å; Q159-E162 PolarHBondContact OE1-O 3.18Å; E162-Y170 PolarHBondContact OE2-OH 3.35Å; E162-K184 IonicContact OE2-NZ 3.45Å; E162-K184 PolarHBondContact OE2-NZ 3.41Å
163P91.7Very high92.1Very high113 Ų11374.1 Ų74.173%0.73436%0.359SS*.  trans-56.5138167.1-23.634.2000111.1D165P163-D165 PolarHBondContact O-N 3.37Å
164P90.7Very high92.1Very high79 Ų7973.1 Ų73.151%0.51336%0.361SS..  trans-67.5116.2-17626.1-33.7000111.3A156 Y157A156-P164 WeakPolarHBondContact O-CB 3.28Å; Y157-P164 HydrophobicContact CD1-CB 3.83Å; Y157-P164 HydrophobicContact CD1-CG 4.43Å; Y157-P164 HydrophobicContact CE1-CB 4.13Å
165D92.4Very high92.1Very high43 Ų4371.9 Ų71.923%0.2336%0.357CS..  trans-115.6118.1172.9-177.4-8.8000110.4A156 P163 R167 W168A156-D165 WeakPolarHBondContact CB-O 3.38Å; P163-D165 PolarHBondContact O-N 3.37Å; D165-R167 PolarHBondContact O-N 2.73Å; D165-R167 WeakPolarHBondContact OD1-CB 3.19Å; D165-R167 WeakPolarHBondContact OD1-CG 3.44Å; D165-R167 PolarHBondContact OD1-N 3Å; D165-R167 IonicContact OD1-NE 3.23Å; D165-R167 PolarHBondContact OD1-NE 3.42Å; D165-R167 IonicContact OD2-CZ 2.7Å; D165-R167 IonicContact OD2-NE 2.8Å; D165-R167 PolarHBondContact OD2-NE 3.1Å; D165-R167 VanDerWaalsContact OD2-NE 3.15Å; D165-R167 IonicContact OD2-NH2 3.39Å; D165-R167 PolarHBondContact OD2-NH2 3.26Å; D165-W168 PolarHBondContact O-N 3.15Å; D165-W168 PolarHBondContact OD2-NE1 3.49Å
166K91.8Very high91.9Very high157 Ų15773.6 Ų73.668%0.68336%0.36SS*.THydrogen-bonded Turntrans-62.3-22-178.2-172.9177.6176.7-174.90113.4W168 S187K166-W168 PolarHBondContact O-N 2.81Å; K166-S187 WeakPolarHBondContact O-CB 3.46Å; K166-S187 PolarHBondContact O-OG 3.14Å
167R92Very high91.9Very high175 Ų17574.6 Ų74.666%0.6637%0.366SS*.THydrogen-bonded Turntrans-69.9-14179.4-63.6179-63.2175.62.7113.2D165 S187D165-R167 PolarHBondContact O-N 2.73Å; D165-R167 WeakPolarHBondContact OD1-CB 3.19Å; D165-R167 WeakPolarHBondContact OD1-CG 3.44Å; D165-R167 PolarHBondContact OD1-N 3Å; D165-R167 IonicContact OD1-NE 3.23Å; D165-R167 PolarHBondContact OD1-NE 3.42Å; D165-R167 IonicContact OD2-CZ 2.7Å; D165-R167 IonicContact OD2-NE 2.8Å; D165-R167 PolarHBondContact OD2-NE 3.1Å; D165-R167 VanDerWaalsContact OD2-NE 3.15Å; D165-R167 IonicContact OD2-NH2 3.39Å; D165-R167 PolarHBondContact OD2-NH2 3.26Å; R167-S187 WeakPolarHBondContact O-CB 3.46Å; R167-S187 PolarHBondContact O-N 3.39Å; R167-S187 PolarHBondContact O-OG 3.16Å
168W93.4Very high92Very high86 Ų8668.4 Ų68.433%0.32634%0.342SS..EExtended strand (participates in β ladder)trans-121.6148.6-177.6-52.5101.8000112.7A156 D165 K166 K184 I185 P186 S187A156-W168 WeakPolarHBondContact CB-O 3.4Å; D165-W168 PolarHBondContact O-N 3.15Å; D165-W168 PolarHBondContact OD2-NE1 3.49Å; K166-W168 PolarHBondContact O-N 2.81Å; W168-K184 HydrophobicContact CB-CD 4.44Å; W168-K184 HydrophobicContact CB-CG 3.91Å; W168-K184 HydrophobicContact CD2-CD 4.32Å; W168-K184 HydrophobicContact CD2-CG 4.06Å; W168-K184 HydrophobicContact CE3-CG 4.01Å; W168-K184 HydrophobicContact CG-CD 4.2Å; W168-K184 HydrophobicContact CG-CG 4.02Å; W168-I185 CarbonylContact C-O 3.59Å; W168-I185 WeakPolarHBondContact CA-O 3.28Å; W168-P186 HydrophobicContact CZ3-CG 4.05Å; W168-S187 VanDerWaalsContact CA-OG 3.27Å; W168-S187 WeakPolarHBondContact CA-OG 3.45Å; W168-S187 PolarHBondContact N-OG 3.11Å; W168-S187 PolarHBondContact O-OG 2.91Å
169Q93.9Very high92.2Very high58 Ų5867.9 Ų67.927%0.27134%0.34SS..EExtended strand (participates in β ladder)trans-122.4160.9167.3-78.4170.214.600108.3I185 S187Q169-I185 HydrophobicContact CB-CD1 4.45Å; Q169-I185 HydrophobicContact CB-CG1 4.05Å; Q169-I185 PolarHBondContact N-O 3.38Å; Q169-I185 VanDerWaalsContact O-CG1 3.28Å; Q169-I185 WeakPolarHBondContact O-CG1 3.38Å; Q169-I185 PolarHBondContact O-N 3.45Å; Q169-I185 VanDerWaalsContact O-O 3.09Å; Q169-S187 WeakPolarHBondContact CG-OG 3.33Å; Q169-S187 PolarHBondContact N-OG 3.36Å
170Y95Very high92.6Very high20 Ų2070.8 Ų70.88%0.07836%0.359CS..EExtended strand (participates in β ladder)trans-117.3125.9178.9-64.3-92.6000109.4M154 A156 Q159 E162 L172 F183 K184M154-Y170 PolarHBondContact N-O 3.03Å; M154-Y170 PolarHBondContact O-N 2.84Å; A156-Y170 HydrophobicContact CB-CE2 4.17Å; Q159-Y170 HydrophobicContact CG-CD2 3.92Å; Q159-Y170 HydrophobicContact CG-CE2 3.7Å; E162-Y170 PolarHBondContact OE2-OH 3.35Å; Y170-L172 WeakPolarHBondContact O-CD1 3.37Å; Y170-F183 WeakPolarHBondContact CA-O 3.47Å; Y170-K184 HydrophobicContact CD1-CB 4.24Å; Y170-K184 HydrophobicContact CE1-CB 3.93Å; Y170-K184 HydrophobicContact CE1-CD 4.22Å; Y170-K184 HydrophobicContact CE1-CG 3.97Å
171L95.5Very high92.9Very high0 Ų063.1 Ų63.10%032%0.324CS..EExtended strand (participates in β ladder)trans-97.9118.5172.3172.762.6000109F134 F153 F173 A182 F183 I185 L210 F212F134-L171 HydrophobicContact CD2-CD2 3.96Å; F134-L171 HydrophobicContact CE1-CD2 4.42Å; F134-L171 HydrophobicContact CE2-CD2 3.75Å; F134-L171 HydrophobicContact CG-CD2 4.4Å; F134-L171 HydrophobicContact CZ-CD2 3.97Å; F153-L171 HydrophobicContact CD1-CB 4.46Å; F153-L171 HydrophobicContact CD1-CD1 4.1Å; F153-L171 HydrophobicContact CD2-CD1 4.26Å; F153-L171 HydrophobicContact CE1-CB 4.42Å; F153-L171 HydrophobicContact CE1-CD1 3.93Å; F153-L171 HydrophobicContact CE2-CD1 4.09Å; F153-L171 HydrophobicContact CG-CD1 4.26Å; F153-L171 HydrophobicContact CZ-CD1 3.92Å; L171-F173 HydrophobicContact CD2-CE2 3.76Å; L171-F173 HydrophobicContact CD2-CZ 3.78Å; L171-F173 HydrophobicContact CG-CD2 4.48Å; L171-F173 HydrophobicContact CG-CE2 3.72Å; L171-F173 HydrophobicContact CG-CZ 4.03Å; L171-A182 CarbonylContact O-C 3.57Å; L171-A182 VanDerWaalsContact O-CA 3.28Å; L171-A182 WeakPolarHBondContact O-CA 3.36Å; L171-F183 PolarHBondContact N-O 3.06Å; L171-F183 PolarHBondContact O-N 2.89Å; L171-I185 HydrophobicContact CB-CD1 4.06Å; L171-L210 HydrophobicContact CD1-CD2 3.85Å; L171-L210 HydrophobicContact CD2-CD2 3.42Å; L171-L210 VanDerWaalsContact CD2-CD2 3.42Å; L171-L210 HydrophobicContact CG-CD2 4.16Å; L171-F212 HydrophobicContact CD2-CD1 4.43Å; L171-F212 HydrophobicContact CD2-CE1 3.72Å
172L96.2Very high93.2Very high31 Ų3159.2 Ų59.216%0.16231%0.306CS..EExtended strand (participates in β ladder)trans-101.9144.8-175.8-69.585.3000111H151 R152 M154 Y170 T180 I181 A182H151-L172 CarbonylContact C-O 3.6Å; H151-L172 WeakPolarHBondContact CA-O 3.38Å; H151-L172 WeakPolarHBondContact CB-O 3.43Å; R152-L172 PolarHBondContact N-O 3.46Å; R152-L172 PolarHBondContact O-N 3.28Å; M154-L172 HydrophobicContact CB-CD1 3.32Å; M154-L172 HydrophobicContact CE-CD1 3.51Å; M154-L172 HydrophobicContact CE-CD2 3.75Å; M154-L172 HydrophobicContact CE-CG 4.14Å; M154-L172 HydrophobicContact CG-CD1 4.26Å; M154-L172 HydrophobicContact SD-CD1 4.12Å; M154-L172 HydrophobicContact SD-CD2 4.31Å; Y170-L172 WeakPolarHBondContact O-CD1 3.37Å; L172-T180 HydrophobicContact CB-CG2 4.36Å; L172-T180 HydrophobicContact CD2-CG2 3.9Å; L172-I181 CarbonylContact C-O 3.45Å; L172-I181 VanDerWaalsContact CA-O 3.29Å; L172-I181 WeakPolarHBondContact CA-O 3.42Å; L172-A182 HydrophobicContact CG-CB 4.07Å
173F96.6Very high93.4Very high0 Ų056.7 Ų56.70%029%0.294CS..EExtended strand (participates in β ladder)trans-126.4131.4167.7-61.7-91.2000109.3F134 I136 R150 H151 L171 T180 I181 F183 F208 L210F134-F173 HydrophobicContact CB-CE2 4.26Å; F134-F173 HydrophobicContact CB-CZ 3.71Å; F134-F173 AromaticContact CD1-CE2 3.99Å; F134-F173 HydrophobicContact CD1-CE2 3.99Å; F134-F173 HydrophobicContact CD1-CZ 4.23Å; F134-F173 HydrophobicContact CG-CE2 4.13Å; F134-F173 AromaticContact CG-CZ 3.9Å; F134-F173 HydrophobicContact CG-CZ 3.9Å; I136-F173 HydrophobicContact CD1-CD1 3.53Å; I136-F173 HydrophobicContact CD1-CD2 4.08Å; I136-F173 HydrophobicContact CD1-CE1 3.4Å; I136-F173 VanDerWaalsContact CD1-CE1 3.4Å; I136-F173 HydrophobicContact CD1-CE2 3.97Å; I136-F173 HydrophobicContact CD1-CG 3.85Å; I136-F173 HydrophobicContact CD1-CZ 3.63Å; I136-F173 HydrophobicContact CG1-CD1 4.35Å; I136-F173 HydrophobicContact CG1-CD2 4.44Å; I136-F173 HydrophobicContact CG1-CG 4.25Å; R150-F173 WeakPolarHBondContact O-CA 3.2Å; H151-F173 HydrophobicContact CB-CD1 3.95Å; H151-F173 HydrophobicContact CB-CE1 4.04Å; L171-F173 HydrophobicContact CD2-CE2 3.76Å; L171-F173 HydrophobicContact CD2-CZ 3.78Å; L171-F173 HydrophobicContact CG-CD2 4.48Å; L171-F173 HydrophobicContact CG-CE2 3.72Å; L171-F173 HydrophobicContact CG-CZ 4.03Å; F173-T180 WeakPolarHBondContact O-CA 3.4Å; F173-T180 WeakPolarHBondContact O-CG2 3.39Å; F173-I181 HydrophobicContact CB-CD1 4.36Å; F173-I181 HydrophobicContact CB-CG1 3.88Å; F173-I181 HydrophobicContact CD2-CD1 4.45Å; F173-I181 HydrophobicContact CD2-CG1 4.39Å; F173-I181 PolarHBondContact N-O 3.17Å; F173-I181 PolarHBondContact O-N 2.88Å; F173-F183 AromaticContact CD2-CD2 3.87Å; F173-F183 HydrophobicContact CD2-CD2 3.87Å; F173-F183 AromaticContact CD2-CE2 3.76Å; F173-F183 HydrophobicContact CD2-CE2 3.76Å; F173-F183 AromaticContact CE2-CD2 3.67Å; F173-F183 HydrophobicContact CE2-CD2 3.67Å; F173-F183 AromaticContact CE2-CE2 3.74Å; F173-F183 HydrophobicContact CE2-CE2 3.74Å; F173-F208 AromaticContact CD1-CD1 3.69Å; F173-F208 HydrophobicContact CD1-CD1 3.69Å; F173-F208 AromaticContact CD1-CE1 3.68Å; F173-F208 HydrophobicContact CD1-CE1 3.68Å; F173-F208 AromaticContact CE1-CD1 3.77Å; F173-F208 HydrophobicContact CE1-CD1 3.77Å; F173-F208 AromaticContact CE1-CE1 3.62Å; F173-F208 HydrophobicContact CE1-CE1 3.62Å; F173-L210 HydrophobicContact CE1-CB 3.82Å; F173-L210 HydrophobicContact CE1-CD2 3.85Å; F173-L210 HydrophobicContact CE1-CG 4.46Å; F173-L210 HydrophobicContact CZ-CB 4.02Å; F173-L210 HydrophobicContact CZ-CD2 3.53Å; F173-L210 HydrophobicContact CZ-CG 4.43Å
174A93.9Very high93.6Very high39 Ų3955.8 Ų55.832%0.32228%0.279SS..EExtended strand (participates in β ladder)trans-133.4127.2-178.400000110.5R150 T180R150-A174 PolarHBondContact N-O 3.43Å; R150-A174 PolarHBondContact O-N 3.35Å; A174-T180 HydrophobicContact CB-CG2 4.21Å
175A92.3Very high93.7Very high7 Ų752.1 Ų52.16%0.05826%0.255CS..  trans-148.8133.6171.500000108.4Y138 I141 P149 Y178Y138-A175 HydrophobicContact CD1-CB 4.12Å; Y138-A175 HydrophobicContact CD2-CB 4.32Å; Y138-A175 HydrophobicContact CE1-CB 3.72Å; Y138-A175 HydrophobicContact CE2-CB 3.98Å; Y138-A175 HydrophobicContact CG-CB 4.37Å; I141-A175 HydrophobicContact CD1-CB 4.09Å; P149-A175 HydrophobicContact CB-CB 4.03Å; P149-A175 HydrophobicContact CG-CB 4.03Å; A175-Y178 WeakPolarHBondContact O-CA 3.28Å; A175-Y178 WeakPolarHBondContact O-CB 3.41Å; A175-Y178 PolarHBondContact O-N 2.96Å
176E89.2Confident93.8Very high77 Ų7752.2 Ų52.236%0.3626%0.258SS..THydrogen-bonded Turntrans-80.1137.1175.8-63.4174.2161.200109.5F109 A142 V147F109-E176 HydrophobicContact CD2-CB 4.47Å; F109-E176 HydrophobicContact CD2-CG 4.38Å; F109-E176 VanDerWaalsContact CE2-CD 3.5Å; F109-E176 HydrophobicContact CE2-CG 4.4Å; F109-E176 WeakPolarHBondContact CE2-OE2 3.27Å; A142-E176 PolarHBondContact N-O 3.42Å; V147-E176 HydrophobicContact CG1-CB 4.44Å
177P91.3Very high93.7Very high24 Ų2446.7 Ų46.716%0.15624%0.239CC..THydrogen-bonded Turncis-97.917.28.837.1-32.7000114.5K111 I112 E140K111-P177 VanDerWaalsContact CA-O 3.25Å; K111-P177 WeakPolarHBondContact CA-O 3.49Å; I112-P177 HydrophobicContact CD1-CG 3.74Å; I112-P177 HydrophobicContact CG1-CG 3.94Å; I112-P177 HydrophobicContact CG2-CB 4.39Å; I112-P177 HydrophobicContact CG2-CG 3.96Å; I112-P177 PolarHBondContact N-O 3.31Å; E140-P177 WeakPolarHBondContact O-CD 3.48Å
178Y93.2Very high93.6Very high22 Ų2242.7 Ų42.79%0.08622%0.224CC..SBendtrans-73.1158.9-179-70.7-85.8000112.7I112 P115 Y138 P139 E140 A175I112-Y178 HydrophobicContact CD1-CD1 3.73Å; I112-Y178 HydrophobicContact CD1-CD2 3.97Å; I112-Y178 HydrophobicContact CD1-CE1 3.37Å; I112-Y178 HydrophobicContact CD1-CE2 3.65Å; I112-Y178 HydrophobicContact CD1-CG 4.03Å; I112-Y178 HydrophobicContact CG1-CD1 3.83Å; I112-Y178 HydrophobicContact CG1-CE1 3.91Å; I112-Y178 HydrophobicContact CG1-CG 4.18Å; P115-Y178 HydrophobicContact CB-CD1 3.84Å; P115-Y178 HydrophobicContact CB-CE1 4.21Å; P115-Y178 HydrophobicContact CB-CG 4.18Å; Y138-Y178 HydrophobicContact CD1-CD1 4.4Å; Y138-Y178 AromaticContact CD1-CD2 3.3Å; Y138-Y178 HydrophobicContact CD1-CD2 3.3Å; Y138-Y178 AromaticContact CD1-CE2 3.59Å; Y138-Y178 HydrophobicContact CD1-CE2 3.59Å; Y138-Y178 AromaticContact CD1-CG 3.73Å; Y138-Y178 HydrophobicContact CD1-CG 3.73Å; Y138-Y178 AromaticContact CE1-CD2 3.9Å; Y138-Y178 HydrophobicContact CE1-CD2 3.9Å; Y138-Y178 AromaticContact CE1-CG 3.95Å; Y138-Y178 HydrophobicContact CE1-CG 3.95Å; Y138-Y178 HydrophobicContact CG-CD2 4.29Å; Y138-Y178 HydrophobicContact CG-CE2 4.27Å; P139-Y178 VanDerWaalsContact CD-OH 3.25Å; P139-Y178 WeakPolarHBondContact CD-OH 3.49Å; P139-Y178 WeakPolarHBondContact CG-OH 3.15Å; E140-Y178 PolarHBondContact N-OH 2.93Å; A175-Y178 WeakPolarHBondContact O-CA 3.28Å; A175-Y178 WeakPolarHBondContact O-CB 3.41Å; A175-Y178 PolarHBondContact O-N 2.96Å
179E93Very high93.4Very high71 Ų7142.7 Ų42.733%0.33223%0.227SC..PPolyproline II helixtrans-67.3140.2166.8-69.4-171.7161.100110.9K111 G113 R114 I181K111-E179 HydrophobicContact CB-CG 4.4Å; K111-E179 HydrophobicContact CD-CG 4.03Å; G113-E179 PolarHBondContact O-N 3.41Å; R114-E179 HydrophobicContact CG-CB 4.39Å; R114-E179 VanDerWaalsContact CG-OE2 3.3Å; R114-E179 WeakPolarHBondContact CG-OE2 3.44Å; R114-E179 IonicContact NE-OE2 3.07Å; E179-I181 PolarHBondContact O-N 3.22Å
180T94.5Very high93.3Very high83 Ų8340.9 Ų40.951%0.50922%0.22SC..PPolyproline II helixtrans-62.9122.6169.1-55.30000109.3L172 F173 A174L172-T180 HydrophobicContact CB-CG2 4.36Å; L172-T180 HydrophobicContact CD2-CG2 3.9Å; F173-T180 WeakPolarHBondContact O-CA 3.4Å; F173-T180 WeakPolarHBondContact O-CG2 3.39Å; A174-T180 HydrophobicContact CB-CG2 4.21Å
181I95Very high93Very high18 Ų1840.5 Ų40.59%0.09222%0.219CC..EExtended strand (participates in β ladder)trans-101.6152.8174.360.5168.3000110.3P115 I136 L172 F173 E179 F183P115-I181 HydrophobicContact CG-CD1 3.93Å; P115-I181 HydrophobicContact CG-CG1 4.29Å; P115-I181 HydrophobicContact CG-CG2 3.91Å; I136-I181 HydrophobicContact CG1-CD1 4.22Å; I136-I181 HydrophobicContact CG2-CD1 4.25Å; L172-I181 CarbonylContact C-O 3.45Å; L172-I181 VanDerWaalsContact CA-O 3.29Å; L172-I181 WeakPolarHBondContact CA-O 3.42Å; F173-I181 HydrophobicContact CB-CD1 4.36Å; F173-I181 HydrophobicContact CB-CG1 3.88Å; F173-I181 HydrophobicContact CD2-CD1 4.45Å; F173-I181 HydrophobicContact CD2-CG1 4.39Å; F173-I181 PolarHBondContact N-O 3.17Å; F173-I181 PolarHBondContact O-N 2.88Å; E179-I181 PolarHBondContact O-N 3.22Å; I181-F183 HydrophobicContact CD1-CE2 3.63Å; I181-F183 HydrophobicContact CD1-CZ 3.9Å; I181-F183 HydrophobicContact CG1-CE2 4.3Å
182A95.3Very high92.7Very high56 Ų5648.9 Ų48.946%0.46326%0.256SS..EExtended strand (participates in β ladder)trans-134.814017700000110.8L171 L172L171-A182 CarbonylContact O-C 3.57Å; L171-A182 VanDerWaalsContact O-CA 3.28Å; L171-A182 WeakPolarHBondContact O-CA 3.36Å; L172-A182 HydrophobicContact CG-CB 4.07Å
183F95.4Very high92.4Very high32 Ų3251.4 Ų51.414%0.1427%0.269CS..EExtended strand (participates in β ladder)trans-112.8127.9173.9-64-85.7000110.2Y117 V119 F134 Y170 L171 F173 I181 I185Y117-F183 HydrophobicContact CD1-CZ 4.26Å; Y117-F183 AromaticContact CD2-CE1 3.64Å; Y117-F183 HydrophobicContact CD2-CE1 3.64Å; Y117-F183 AromaticContact CD2-CZ 3.71Å; Y117-F183 HydrophobicContact CD2-CZ 3.71Å; Y117-F183 AromaticContact CE2-CE1 3.82Å; Y117-F183 HydrophobicContact CE2-CE1 3.82Å; Y117-F183 HydrophobicContact CE2-CZ 4.3Å; Y117-F183 HydrophobicContact CG-CE1 4.07Å; Y117-F183 AromaticContact CG-CZ 3.69Å; Y117-F183 HydrophobicContact CG-CZ 3.69Å; V119-F183 HydrophobicContact CG2-CD1 4.17Å; V119-F183 HydrophobicContact CG2-CE1 3.7Å; V119-F183 HydrophobicContact CG2-CZ 4.14Å; F134-F183 HydrophobicContact CD1-CD1 4.47Å; F134-F183 AromaticContact CD1-CD2 3.77Å; F134-F183 HydrophobicContact CD1-CD2 3.77Å; F134-F183 AromaticContact CD1-CE2 3.8Å; F134-F183 HydrophobicContact CD1-CE2 3.8Å; F134-F183 HydrophobicContact CD1-CG 4.11Å; F134-F183 HydrophobicContact CD1-CZ 4.18Å; F134-F183 HydrophobicContact CE1-CB 3.8Å; F134-F183 AromaticContact CE1-CD1 3.85Å; F134-F183 HydrophobicContact CE1-CD1 3.85Å; F134-F183 AromaticContact CE1-CD2 3.57Å; F134-F183 HydrophobicContact CE1-CD2 3.57Å; F134-F183 HydrophobicContact CE1-CE1 4.29Å; F134-F183 HydrophobicContact CE1-CE2 4.02Å; F134-F183 AromaticContact CE1-CG 3.46Å; F134-F183 HydrophobicContact CE1-CG 3.46Å; F134-F183 VanDerWaalsContact CE1-CG 3.46Å; F134-F183 HydrophobicContact CE1-CZ 4.36Å; F134-F183 HydrophobicContact CZ-CB 4.28Å; F134-F183 HydrophobicContact CZ-CG 4.39Å; Y170-F183 WeakPolarHBondContact CA-O 3.47Å; L171-F183 PolarHBondContact N-O 3.06Å; L171-F183 PolarHBondContact O-N 2.89Å; F173-F183 AromaticContact CD2-CD2 3.87Å; F173-F183 HydrophobicContact CD2-CD2 3.87Å; F173-F183 AromaticContact CD2-CE2 3.76Å; F173-F183 HydrophobicContact CD2-CE2 3.76Å; F173-F183 AromaticContact CE2-CD2 3.67Å; F173-F183 HydrophobicContact CE2-CD2 3.67Å; F173-F183 AromaticContact CE2-CE2 3.74Å; F173-F183 HydrophobicContact CE2-CE2 3.74Å; I181-F183 HydrophobicContact CD1-CE2 3.63Å; I181-F183 HydrophobicContact CD1-CZ 3.9Å; I181-F183 HydrophobicContact CG1-CE2 4.3Å; F183-I185 PolarHBondContact O-N 3.28Å
184K94.6Very high92Very high94 Ų9456.6 Ų56.641%0.40930%0.303SS..EExtended strand (participates in β ladder)trans-75.3116.9173.7-168.7171.3-170.4161.80109.3E162 W168 Y170E162-K184 IonicContact OE2-NZ 3.45Å; E162-K184 PolarHBondContact OE2-NZ 3.41Å; W168-K184 HydrophobicContact CB-CD 4.44Å; W168-K184 HydrophobicContact CB-CG 3.91Å; W168-K184 HydrophobicContact CD2-CD 4.32Å; W168-K184 HydrophobicContact CD2-CG 4.06Å; W168-K184 HydrophobicContact CE3-CG 4.01Å; W168-K184 HydrophobicContact CG-CD 4.2Å; W168-K184 HydrophobicContact CG-CG 4.02Å; Y170-K184 HydrophobicContact CD1-CB 4.24Å; Y170-K184 HydrophobicContact CE1-CB 3.93Å; Y170-K184 HydrophobicContact CE1-CD 4.22Å; Y170-K184 HydrophobicContact CE1-CG 3.97Å
185I93.9Very high91.8Very high2 Ų263.6 Ų63.61%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-124.2151.8-178.557167.4000110M132 F134 F153 W168 Q169 L171 F183 F212M132-I185 HydrophobicContact CE-CG2 4.39Å; M132-I185 HydrophobicContact SD-CG2 4.15Å; F134-I185 HydrophobicContact CZ-CG2 4.32Å; F153-I185 HydrophobicContact CD1-CD1 3.81Å; F153-I185 HydrophobicContact CE1-CD1 3.61Å; W168-I185 CarbonylContact C-O 3.59Å; W168-I185 WeakPolarHBondContact CA-O 3.28Å; Q169-I185 HydrophobicContact CB-CD1 4.45Å; Q169-I185 HydrophobicContact CB-CG1 4.05Å; Q169-I185 PolarHBondContact N-O 3.38Å; Q169-I185 VanDerWaalsContact O-CG1 3.28Å; Q169-I185 WeakPolarHBondContact O-CG1 3.38Å; Q169-I185 PolarHBondContact O-N 3.45Å; Q169-I185 VanDerWaalsContact O-O 3.09Å; L171-I185 HydrophobicContact CB-CD1 4.06Å; F183-I185 PolarHBondContact O-N 3.28Å; I185-F212 HydrophobicContact CD1-CZ 4.02Å; I185-F212 HydrophobicContact CG2-CZ 4.48Å
186P93.3Very high91.6Very high45 Ų4566.2 Ų66.229%0.29234%0.336SS..EExtended strand (participates in β ladder)trans-57.6142174.6-23.433.4000111.7W168 R188W168-P186 HydrophobicContact CZ3-CG 4.05Å; P186-R188 HydrophobicContact CB-CG 4.41Å; P186-R188 PolarHBondContact O-N 3.38Å
187S90.9Very high91.8Very high41 Ų4164.8 Ų64.829%0.28733%0.331SS..  trans-71.845.2175.7-66.20000113.7K166 R167 W168 Q169K166-S187 WeakPolarHBondContact O-CB 3.46Å; K166-S187 PolarHBondContact O-OG 3.14Å; R167-S187 WeakPolarHBondContact O-CB 3.46Å; R167-S187 PolarHBondContact O-N 3.39Å; R167-S187 PolarHBondContact O-OG 3.16Å; W168-S187 VanDerWaalsContact CA-OG 3.27Å; W168-S187 WeakPolarHBondContact CA-OG 3.45Å; W168-S187 PolarHBondContact N-OG 3.11Å; W168-S187 PolarHBondContact O-OG 2.91Å; Q169-S187 WeakPolarHBondContact CG-OG 3.33Å; Q169-S187 PolarHBondContact N-OG 3.36Å
188R90.3Very high92Very high91 Ų9167.8 Ų67.834%0.34334%0.339SS..PPolyproline II helixtrans-90147.9174.7-75.9179.4169.7168.4-6.8109.9P186 V190 F214 E217P186-R188 HydrophobicContact CB-CG 4.41Å; P186-R188 PolarHBondContact O-N 3.38Å; R188-V190 PolarHBondContact O-N 3.27Å; R188-F214 HydrophobicContact CB-CB 4.38Å; R188-F214 HydrophobicContact CB-CD1 3.47Å; R188-F214 VanDerWaalsContact CB-CD1 3.47Å; R188-F214 HydrophobicContact CB-CE1 3.99Å; R188-F214 HydrophobicContact CB-CG 4.17Å; R188-E217 IonicContact CZ-OE2 3.3Å; R188-E217 IonicContact NE-OE2 2.82Å; R188-E217 PolarHBondContact NE-OE2 2.95Å; R188-E217 IonicContact NH2-OE2 3.43Å; R188-E217 PolarHBondContact NH2-OE2 3.4Å
189E88.9Confident92Very high85 Ų8570.1 Ų70.140%0.39736%0.356SS..PPolyproline II helixtrans-61.6129176-67.5-165.5179.800110.7F214 K215E189-F214 CarbonylContact O-C 3.58Å; E189-K215 HydrophobicContact CB-CB 4.33Å; E189-K215 HydrophobicContact CB-CD 3.86Å; E189-K215 HydrophobicContact CB-CG 4.15Å; E189-K215 PolarHBondContact O-N 3.09Å; E189-K215 WeakPolarHBondContact OE2-CD 3.43Å; E189-K215 WeakPolarHBondContact OE2-CE 3.41Å; E189-K215 IonicContact OE2-NZ 2.71Å; E189-K215 PolarHBondContact OE2-NZ 2.97Å
190V90.8Very high92.1Very high21 Ų2172.9 Ų72.913%0.12736%0.364CS..BIsolated β-bridgetrans-82.9134.2173178.90000108.9F153 R188 K192 L197 F212F153-V190 HydrophobicContact CE1-CG2 3.92Å; F153-V190 HydrophobicContact CZ-CG2 4.1Å; R188-V190 PolarHBondContact O-N 3.27Å; V190-K192 PolarHBondContact O-N 3.38Å; V190-L197 HydrophobicContact CG1-CD1 4.28Å; V190-F212 HydrophobicContact CB-CD2 4.48Å; V190-F212 HydrophobicContact CG1-CB 3.74Å; V190-F212 HydrophobicContact CG1-CD2 3.86Å; V190-F212 HydrophobicContact CG1-CG 4.09Å; V190-F212 HydrophobicContact CG2-CD2 3.85Å; V190-F212 HydrophobicContact CG2-CE2 4.09Å
191D89.5Confident92.1Very high11 Ų1171.1 Ų71.16%0.05935%0.348CS..PPolyproline II helixtrans-72.1119.8173.4-161.3-21.1000109.5Q129 D193 K196 L197 A213 K215Q129-D191 PolarHBondContact NE2-OD2 3.36Å; D191-D193 VanDerWaalsContact C-N 3.28Å; D191-D193 VanDerWaalsContact OD1-CG 3.32Å; D191-D193 PolarHBondContact OD1-N 3.43Å; D191-K196 HydrophobicContact CB-CD 4Å; D191-K196 WeakPolarHBondContact OD2-CD 3.3Å; D191-K196 WeakPolarHBondContact OD2-CE 3.45Å; D191-K196 IonicContact OD2-NZ 4Å; D191-K196 PolarHBondContact OD2-NZ 3.47Å; D191-L197 WeakPolarHBondContact O-CB 3.37Å; D191-A213 WeakPolarHBondContact CB-O 3.25Å; D191-A213 PolarHBondContact N-O 3.32Å; D191-K215 HydrophobicContact CB-CG 4.06Å
192K88.1Confident92.1Very high176 Ų17672.2 Ų72.277%0.76535%0.354SS*.  trans-906.1-173-62.2-172.7-179.2-174.60112.8V190V190-K192 PolarHBondContact O-N 3.38Å
193D90.1Very high91.9Very high84 Ų8472.9 Ų72.945%0.44936%0.356SS..  trans-60.3130.9175.5-72.3-19.8000110.3D191 K195 K196 L197D191-D193 VanDerWaalsContact C-N 3.28Å; D191-D193 VanDerWaalsContact OD1-CG 3.32Å; D191-D193 PolarHBondContact OD1-N 3.43Å; D193-K195 PolarHBondContact O-N 2.94Å; D193-K196 HydrophobicContact CB-CB 4.43Å; D193-K196 HydrophobicContact CB-CD 4.36Å; D193-K196 HydrophobicContact CB-CG 4.4Å; D193-K196 PolarHBondContact O-N 2.96Å; D193-L197 PolarHBondContact O-N 2.92Å
194P89.6Confident91.7Very high109 Ų10977 Ų7771%0.70839%0.388SS*.THydrogen-bonded Turntrans-63.2-17.4-175.225.2-35.1000113.6
195K88.7Confident91.6Very high187 Ų18774.9 Ų74.981%0.81339%0.386SS*.THydrogen-bonded Turntrans-77.2-28.7173.5-66-176.2179-178.70112.7D193D193-K195 PolarHBondContact O-N 2.94Å
196K89Confident91.5Very high61 Ų6177.3 Ų77.327%0.26540%0.396SS..THydrogen-bonded Turntrans-100.9-38.9-174.8-65.4179.2-173.6-179.70112D191 D193 Q211 F212 A213D191-K196 HydrophobicContact CB-CD 4Å; D191-K196 WeakPolarHBondContact OD2-CD 3.3Å; D191-K196 WeakPolarHBondContact OD2-CE 3.45Å; D191-K196 IonicContact OD2-NZ 4Å; D191-K196 PolarHBondContact OD2-NZ 3.47Å; D193-K196 HydrophobicContact CB-CB 4.43Å; D193-K196 HydrophobicContact CB-CD 4.36Å; D193-K196 HydrophobicContact CB-CG 4.4Å; D193-K196 PolarHBondContact O-N 2.96Å; K196-Q211 CarbonylContact O-C 3.58Å; K196-F212 VanDerWaalsContact O-CA 3.27Å; K196-F212 WeakPolarHBondContact O-CA 3.31Å; K196-A213 HydrophobicContact CB-CB 4.05Å; K196-A213 HydrophobicContact CD-CB 4.22Å; K196-A213 HydrophobicContact CG-CB 4.42Å
197L93.2Very high91.6Very high48 Ų4877.5 Ų77.525%0.25139%0.393SS..SBendtrans-103106.1173.3178.571.2000109.1V190 D191 D193 L210 Q211 F212V190-L197 HydrophobicContact CG1-CD1 4.28Å; D191-L197 WeakPolarHBondContact O-CB 3.37Å; D193-L197 PolarHBondContact O-N 2.92Å; L197-L210 HydrophobicContact CD1-CD1 4.36Å; L197-Q211 WeakPolarHBondContact CA-O 3.38Å; L197-F212 HydrophobicContact CD1-CB 3.54Å
198W93.9Very high91.9Very high87 Ų8775.9 Ų75.933%0.3338%0.381SS..EExtended strand (participates in β ladder)trans-141.3152.3176.661-98.5000111.4L133 F209 Q211L133-W198 HydrophobicContact CD1-CH2 4.18Å; L133-W198 HydrophobicContact CD1-CZ2 4.37Å; W198-F209 HydrophobicContact CH2-CB 4.13Å; W198-F209 HydrophobicContact CZ3-CB 3.75Å; W198-Q211 HydrophobicContact CD2-CB 4.08Å; W198-Q211 VanDerWaalsContact CE2-CB 3.48Å; W198-Q211 HydrophobicContact CG-CB 4.47Å; W198-Q211 HydrophobicContact CH2-CB 4.39Å; W198-Q211 HydrophobicContact CZ2-CB 3.67Å; W198-Q211 HydrophobicContact CZ2-CG 4.47Å; W198-Q211 PolarHBondContact N-O 3.05Å; W198-Q211 PolarHBondContact O-N 3.01Å
199T95.2Very high92.2Very high70 Ų7073.3 Ų73.343%0.42937%0.372SS..EExtended strand (participates in β ladder)trans-124.6143172.648.10000110.4H151 F208 F209 L210H151-T199 WeakPolarHBondContact CE1-CG2 3.36Å; T199-F208 HydrophobicContact CG2-CE1 4.41Å; T199-F208 HydrophobicContact CG2-CZ 3.8Å; T199-F209 CarbonylContact C-O 3.54Å; T199-F209 VanDerWaalsContact CA-O 3.27Å; T199-F209 WeakPolarHBondContact CA-O 3.33Å; T199-L210 HydrophobicContact CG2-CB 4.26Å; T199-L210 HydrophobicContact CG2-CD1 3.21Å; T199-L210 HydrophobicContact CG2-CG 4.31Å
200Y94.9Very high92.5Very high129 Ų12969.3 Ų69.351%0.50635%0.353SS..EExtended strand (participates in β ladder)trans-139.5129.4174.6179.8-112.9000110.2N202 F209Y200-N202 HydrophobicContact CD1-CB 4.44Å; Y200-N202 HydrophobicContact CE1-CB 3.8Å; Y200-F209 HydrophobicContact CD1-CD2 4.02Å; Y200-F209 PolarHBondContact N-O 3.19Å; Y200-F209 PolarHBondContact O-N 3.23Å
201W94.6Very high92.7Very high47 Ų4770.3 Ų70.318%0.17836%0.357CS..EExtended strand (participates in β ladder)trans-106.7115.2172.8172.8-120.5000109.1Y138 I141 I148 P149 K206 Q207 F208Y138-W201 HydrophobicContact CD2-CH2 4.36Å; Y138-W201 AromaticContact CD2-CZ3 3.98Å; Y138-W201 HydrophobicContact CD2-CZ3 3.98Å; I141-W201 HydrophobicContact CD1-CH2 3.98Å; I141-W201 HydrophobicContact CD1-CZ2 3.93Å; I141-W201 HydrophobicContact CG2-CH2 4.28Å; I141-W201 HydrophobicContact CG2-CZ2 4.14Å; I148-W201 HydrophobicContact CG2-CB 4.32Å; I148-W201 HydrophobicContact CG2-CG 4.26Å; P149-W201 HydrophobicContact CG-CD2 4.02Å; P149-W201 HydrophobicContact CG-CE3 3.62Å; P149-W201 HydrophobicContact CG-CH2 3.97Å; P149-W201 HydrophobicContact CG-CZ2 4.35Å; P149-W201 HydrophobicContact CG-CZ3 3.6Å; W201-K206 VanDerWaalsContact CH2-C 3.47Å; W201-K206 HydrophobicContact CH2-CB 4.04Å; W201-K206 VanDerWaalsContact CZ3-C 3.44Å; W201-Q207 VanDerWaalsContact CE3-C 3.46Å; W201-Q207 VanDerWaalsContact CE3-O 3.26Å; W201-Q207 VanDerWaalsContact CZ3-C 3.43Å; W201-F208 HydrophobicContact CB-CD2 4.06Å; W201-F208 HydrophobicContact CB-CE2 4.44Å; W201-F208 HydrophobicContact CE3-CB 3.77Å; W201-F208 HydrophobicContact CE3-CD2 4.02Å; W201-F208 HydrophobicContact CE3-CG 4.41Å; W201-F208 HydrophobicContact CZ3-CB 4.02Å
202N93.7Very high93Very high40 Ų4069.8 Ų69.821%0.21435%0.354CS..EExtended strand (participates in β ladder)trans-92.8102171.7-171.6-25.5000109.2Y200 S204 S205 K206 Q207Y200-N202 HydrophobicContact CD1-CB 4.44Å; Y200-N202 HydrophobicContact CE1-CB 3.8Å; N202-S204 PolarHBondContact O-N 2.97Å; N202-S204 WeakPolarHBondContact OD1-CB 3.47Å; N202-S204 PolarHBondContact OD1-N 3.32Å; N202-S205 WeakPolarHBondContact CB-OG 3.11Å; N202-S205 PolarHBondContact ND2-OG 2.75Å; N202-S205 PolarHBondContact OD1-N 3.05Å; N202-S205 VanDerWaalsContact OD1-N 3.09Å; N202-K206 WeakPolarHBondContact O-CA 3.36Å; N202-K206 PolarHBondContact O-N 3.35Å; N202-Q207 PolarHBondContact N-O 3.37Å; N202-Q207 PolarHBondContact O-N 2.91Å; N202-Q207 VanDerWaalsContact O-N 3.14Å
203S91Very high93.2Very high71 Ų7161.7 Ų61.750%0.49732%0.32SS..THydrogen-bonded Turntrans-68-22.5179.3-162.70000113.5
204S91.2Very high93.4Very high117 Ų11758.2 Ų58.282%0.81830%0.301SS*.THydrogen-bonded Turntrans-81.4-44.7-178.5-55.20000112.1N202 K206N202-S204 PolarHBondContact O-N 2.97Å; N202-S204 WeakPolarHBondContact OD1-CB 3.47Å; N202-S204 PolarHBondContact OD1-N 3.32Å; S204-K206 VanDerWaalsContact C-N 3.34Å
205S92.7Very high93.3Very high51 Ų5155.5 Ų55.536%0.35728%0.278SS..THydrogen-bonded Turntrans-86-9.7174.365.80000113.2N202 Q207N202-S205 WeakPolarHBondContact CB-OG 3.11Å; N202-S205 PolarHBondContact ND2-OG 2.75Å; N202-S205 PolarHBondContact OD1-N 3.05Å; N202-S205 VanDerWaalsContact OD1-N 3.09Å; S205-Q207 VanDerWaalsContact C-N 3.31Å; S205-Q207 WeakPolarHBondContact O-CG 3.24Å; S205-Q207 PolarHBondContact O-N 3.4Å; S205-Q207 WeakPolarHBondContact OG-CB 3.46Å; S205-Q207 WeakPolarHBondContact OG-CG 3.4Å; S205-Q207 PolarHBondContact OG-OE1 2.85Å
206K92.7Very high93.1Very high53 Ų5349.1 Ų49.123%0.2325%0.252CS..THydrogen-bonded Turntrans56.943.3-173.7-54.3-176.7177.6-159.60112.7Y138 P139 I141 D143 W201 N202 S204Y138-K206 PolarHBondContact N-O 3.4Å; Y138-K206 VanDerWaalsContact O-CB 3.31Å; Y138-K206 WeakPolarHBondContact O-CB 3.47Å; P139-K206 WeakPolarHBondContact O-CD 3.44Å; P139-K206 WeakPolarHBondContact O-CE 3.49Å; P139-K206 PolarHBondContact O-NZ 3.01Å; I141-K206 HydrophobicContact CG2-CD 4.21Å; D143-K206 WeakPolarHBondContact OD2-CE 3.42Å; D143-K206 IonicContact OD2-NZ 3.71Å; D143-K206 PolarHBondContact OD2-NZ 3.32Å; W201-K206 VanDerWaalsContact CH2-C 3.47Å; W201-K206 HydrophobicContact CH2-CB 4.04Å; W201-K206 VanDerWaalsContact CZ3-C 3.44Å; N202-K206 WeakPolarHBondContact O-CA 3.36Å; N202-K206 PolarHBondContact O-N 3.35Å; S204-K206 VanDerWaalsContact C-N 3.34Å
207Q94.8Very high92.2Very high49 Ų4951.6 Ų51.623%0.22927%0.265CS..EExtended strand (participates in β ladder)trans-117.1130.3-177.8-61.4-176-32.800111.1Q135 I136 D137 W201 N202 S205 F209Q135-Q207 VanDerWaalsContact NE2-NE2 3.16Å; I136-Q207 WeakPolarHBondContact O-CA 3.43Å; D137-Q207 VanDerWaalsContact OD1-CG 3.23Å; D137-Q207 WeakPolarHBondContact OD1-CG 3.42Å; D137-Q207 PolarHBondContact OD1-NE2 3.44Å; W201-Q207 VanDerWaalsContact CE3-C 3.46Å; W201-Q207 VanDerWaalsContact CE3-O 3.26Å; W201-Q207 VanDerWaalsContact CZ3-C 3.43Å; N202-Q207 PolarHBondContact N-O 3.37Å; N202-Q207 PolarHBondContact O-N 2.91Å; N202-Q207 VanDerWaalsContact O-N 3.14Å; S205-Q207 VanDerWaalsContact C-N 3.31Å; S205-Q207 WeakPolarHBondContact O-CG 3.24Å; S205-Q207 PolarHBondContact O-N 3.4Å; S205-Q207 WeakPolarHBondContact OG-CB 3.46Å; S205-Q207 WeakPolarHBondContact OG-CG 3.4Å; S205-Q207 PolarHBondContact OG-OE1 2.85Å; Q207-F209 HydrophobicContact CB-CD2 4.39Å; Q207-F209 HydrophobicContact CB-CE2 3.61Å; Q207-F209 HydrophobicContact CB-CZ 4.01Å
208F96.5Very high90.7Very high7 Ų753.5 Ų53.53%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-102.4125.8174.1-169.5-108.8000110.2Q135 I136 Y138 P149 H151 F173 T199 W201 L210Q135-F208 CarbonylContact C-O 3.6Å; Q135-F208 WeakPolarHBondContact CA-O 3.35Å; I136-F208 HydrophobicContact CB-CB 4.47Å; I136-F208 HydrophobicContact CD1-CD1 4.14Å; I136-F208 PolarHBondContact N-O 3.29Å; I136-F208 PolarHBondContact O-N 2.9Å; Y138-F208 HydrophobicContact CD2-CB 4.29Å; Y138-F208 HydrophobicContact CE2-CB 4.11Å; P149-F208 HydrophobicContact CB-CB 4.18Å; P149-F208 HydrophobicContact CB-CD1 4.4Å; P149-F208 HydrophobicContact CB-CD2 3.81Å; P149-F208 HydrophobicContact CB-CE2 4.28Å; P149-F208 HydrophobicContact CB-CG 3.87Å; P149-F208 HydrophobicContact CG-CB 4.26Å; P149-F208 HydrophobicContact CG-CD2 4.21Å; P149-F208 HydrophobicContact CG-CG 4.37Å; H151-F208 HydrophobicContact CB-CE1 4.37Å; F173-F208 AromaticContact CD1-CD1 3.69Å; F173-F208 HydrophobicContact CD1-CD1 3.69Å; F173-F208 AromaticContact CD1-CE1 3.68Å; F173-F208 HydrophobicContact CD1-CE1 3.68Å; F173-F208 AromaticContact CE1-CD1 3.77Å; F173-F208 HydrophobicContact CE1-CD1 3.77Å; F173-F208 AromaticContact CE1-CE1 3.62Å; F173-F208 HydrophobicContact CE1-CE1 3.62Å; T199-F208 HydrophobicContact CG2-CE1 4.41Å; T199-F208 HydrophobicContact CG2-CZ 3.8Å; W201-F208 HydrophobicContact CB-CD2 4.06Å; W201-F208 HydrophobicContact CB-CE2 4.44Å; W201-F208 HydrophobicContact CE3-CB 3.77Å; W201-F208 HydrophobicContact CE3-CD2 4.02Å; W201-F208 HydrophobicContact CE3-CG 4.41Å; W201-F208 HydrophobicContact CZ3-CB 4.02Å; F208-L210 HydrophobicContact CE1-CB 4.32Å
209F96.8Very high89Confident37 Ų3754.3 Ų54.316%0.16229%0.289CS..EExtended strand (participates in β ladder)trans-111.5132.8176.9-62.9-88.6000109.9L133 F134 Q135 W198 T199 Y200 Q207L133-F209 HydrophobicContact CD1-CD1 4.46Å; F134-F209 VanDerWaalsContact O-CA 3.31Å; F134-F209 WeakPolarHBondContact O-CA 3.29Å; Q135-F209 HydrophobicContact CB-CD1 4.07Å; Q135-F209 HydrophobicContact CB-CE1 3.9Å; Q135-F209 HydrophobicContact CG-CD1 4.19Å; Q135-F209 HydrophobicContact CG-CE1 3.62Å; Q135-F209 HydrophobicContact CG-CZ 4.04Å; W198-F209 HydrophobicContact CH2-CB 4.13Å; W198-F209 HydrophobicContact CZ3-CB 3.75Å; T199-F209 CarbonylContact C-O 3.54Å; T199-F209 VanDerWaalsContact CA-O 3.27Å; T199-F209 WeakPolarHBondContact CA-O 3.33Å; Y200-F209 HydrophobicContact CD1-CD2 4.02Å; Y200-F209 PolarHBondContact N-O 3.19Å; Y200-F209 PolarHBondContact O-N 3.23Å; Q207-F209 HydrophobicContact CB-CD2 4.39Å; Q207-F209 HydrophobicContact CB-CE2 3.61Å; Q207-F209 HydrophobicContact CB-CZ 4.01Å
210L96.2Very high87.2Confident0 Ų052.1 Ų52.10%028%0.277CS..EExtended strand (participates in β ladder)trans-132.6123.3167.4173.285.9000108F134 L171 F173 L197 T199 F208 F212F134-L210 HydrophobicContact CB-CB 4.45Å; F134-L210 PolarHBondContact N-O 3.16Å; F134-L210 PolarHBondContact O-N 2.61Å; L171-L210 HydrophobicContact CD1-CD2 3.85Å; L171-L210 HydrophobicContact CD2-CD2 3.42Å; L171-L210 VanDerWaalsContact CD2-CD2 3.42Å; L171-L210 HydrophobicContact CG-CD2 4.16Å; F173-L210 HydrophobicContact CE1-CB 3.82Å; F173-L210 HydrophobicContact CE1-CD2 3.85Å; F173-L210 HydrophobicContact CE1-CG 4.46Å; F173-L210 HydrophobicContact CZ-CB 4.02Å; F173-L210 HydrophobicContact CZ-CD2 3.53Å; F173-L210 HydrophobicContact CZ-CG 4.43Å; L197-L210 HydrophobicContact CD1-CD1 4.36Å; T199-L210 HydrophobicContact CG2-CB 4.26Å; T199-L210 HydrophobicContact CG2-CD1 3.21Å; T199-L210 HydrophobicContact CG2-CG 4.31Å; F208-L210 HydrophobicContact CE1-CB 4.32Å; L210-F212 HydrophobicContact CD2-CD1 4.22Å
211Q94.8Very high85.6Confident42 Ų4249 Ų4920%0.19627%0.274CS..EExtended strand (participates in β ladder)trans-115.6140.4168.9-171.9174.3-3800109.7M132 L133 K196 L197 W198M132-Q211 WeakPolarHBondContact O-CA 3.35Å; L133-Q211 HydrophobicContact CD1-CB 3.95Å; K196-Q211 CarbonylContact O-C 3.58Å; L197-Q211 WeakPolarHBondContact CA-O 3.38Å; W198-Q211 HydrophobicContact CD2-CB 4.08Å; W198-Q211 VanDerWaalsContact CE2-CB 3.48Å; W198-Q211 HydrophobicContact CG-CB 4.47Å; W198-Q211 HydrophobicContact CH2-CB 4.39Å; W198-Q211 HydrophobicContact CZ2-CB 3.67Å; W198-Q211 HydrophobicContact CZ2-CG 4.47Å; W198-Q211 PolarHBondContact N-O 3.05Å; W198-Q211 PolarHBondContact O-N 3.01Å
212F94.6Very high84.1Confident0 Ų049.3 Ų49.30%028%0.284CS..EExtended strand (participates in β ladder)trans-145.1154.716869.9-94000111.3S131 M132 F134 F153 L171 I185 V190 K196 L197 L210 F214S131-F212 CarbonylContact C-O 3.56Å; S131-F212 VanDerWaalsContact CA-O 3.22Å; S131-F212 WeakPolarHBondContact CA-O 3.22Å; S131-F212 VanDerWaalsContact CB-O 3.26Å; S131-F212 WeakPolarHBondContact CB-O 3.32Å; M132-F212 HydrophobicContact CB-CE1 4.16Å; M132-F212 HydrophobicContact CB-CZ 4.06Å; M132-F212 HydrophobicContact CG-CZ 4.39Å; M132-F212 PolarHBondContact N-O 3.35Å; M132-F212 PolarHBondContact O-N 3.26Å; M132-F212 VanDerWaalsContact O-N 3.08Å; M132-F212 HydrophobicContact SD-CZ 4.11Å; F134-F212 HydrophobicContact CD2-CE1 4.09Å; F134-F212 HydrophobicContact CE2-CD1 4.36Å; F134-F212 AromaticContact CE2-CE1 3.49Å; F134-F212 HydrophobicContact CE2-CE1 3.49Å; F134-F212 VanDerWaalsContact CE2-CE1 3.49Å; F134-F212 HydrophobicContact CE2-CZ 4.15Å; F134-F212 HydrophobicContact CZ-CE1 4.43Å; F153-F212 HydrophobicContact CE1-CE1 4.27Å; F153-F212 HydrophobicContact CE1-CZ 4.36Å; F153-F212 HydrophobicContact CZ-CD1 4.04Å; F153-F212 HydrophobicContact CZ-CE1 4.22Å; F153-F212 HydrophobicContact CZ-CG 4.28Å; L171-F212 HydrophobicContact CD2-CD1 4.43Å; L171-F212 HydrophobicContact CD2-CE1 3.72Å; I185-F212 HydrophobicContact CD1-CZ 4.02Å; I185-F212 HydrophobicContact CG2-CZ 4.48Å; V190-F212 HydrophobicContact CB-CD2 4.48Å; V190-F212 HydrophobicContact CG1-CB 3.74Å; V190-F212 HydrophobicContact CG1-CD2 3.86Å; V190-F212 HydrophobicContact CG1-CG 4.09Å; V190-F212 HydrophobicContact CG2-CD2 3.85Å; V190-F212 HydrophobicContact CG2-CE2 4.09Å; K196-F212 VanDerWaalsContact O-CA 3.27Å; K196-F212 WeakPolarHBondContact O-CA 3.31Å; L197-F212 HydrophobicContact CD1-CB 3.54Å; L210-F212 HydrophobicContact CD2-CD1 4.22Å; F212-F214 HydrophobicContact CE2-CD1 4.17Å; F212-F214 HydrophobicContact CE2-CD2 4.44Å; F212-F214 AromaticContact CE2-CE1 3.66Å; F212-F214 HydrophobicContact CE2-CE1 3.66Å; F212-F214 AromaticContact CE2-CE2 3.93Å; F212-F214 HydrophobicContact CE2-CE2 3.93Å; F212-F214 AromaticContact CE2-CZ 3.52Å; F212-F214 HydrophobicContact CE2-CZ 3.52Å; F212-F214 HydrophobicContact CZ-CE1 4.46Å; F212-F214 HydrophobicContact CZ-CZ 4.07Å
213A93.6Very high82.9Confident6 Ų649.7 Ų49.75%0.0529%0.288CS..EExtended strand (participates in β ladder)trans-112.4141.9172.200000110.3Q129 D191 K196Q129-A213 HydrophobicContact CG-CB 4.14Å; D191-A213 WeakPolarHBondContact CB-O 3.25Å; D191-A213 PolarHBondContact N-O 3.32Å; K196-A213 HydrophobicContact CB-CB 4.05Å; K196-A213 HydrophobicContact CD-CB 4.22Å; K196-A213 HydrophobicContact CG-CB 4.42Å
214F92.7Very high82Confident11 Ų1148.2 Ų48.25%0.04828%0.28CS..BIsolated β-bridgetrans-78.5140.2170.4-65.1-72.9000109.6Q129 Q130 M132 R188 E189 F212Q129-F214 VanDerWaalsContact CD-O 3.29Å; Q129-F214 WeakPolarHBondContact CG-O 3.39Å; Q129-F214 PolarHBondContact NE2-O 2.82Å; Q130-F214 HydrophobicContact CB-CD2 4.21Å; Q130-F214 PolarHBondContact O-N 2.97Å; M132-F214 HydrophobicContact CG-CE2 4.11Å; M132-F214 HydrophobicContact SD-CE2 3.96Å; M132-F214 HydrophobicContact SD-CZ 4.09Å; R188-F214 HydrophobicContact CB-CB 4.38Å; R188-F214 HydrophobicContact CB-CD1 3.47Å; R188-F214 VanDerWaalsContact CB-CD1 3.47Å; R188-F214 HydrophobicContact CB-CE1 3.99Å; R188-F214 HydrophobicContact CB-CG 4.17Å; E189-F214 CarbonylContact O-C 3.58Å; F212-F214 HydrophobicContact CE2-CD1 4.17Å; F212-F214 HydrophobicContact CE2-CD2 4.44Å; F212-F214 AromaticContact CE2-CE1 3.66Å; F212-F214 HydrophobicContact CE2-CE1 3.66Å; F212-F214 AromaticContact CE2-CE2 3.93Å; F212-F214 HydrophobicContact CE2-CE2 3.93Å; F212-F214 AromaticContact CE2-CZ 3.52Å; F212-F214 HydrophobicContact CE2-CZ 3.52Å; F212-F214 HydrophobicContact CZ-CE1 4.46Å; F212-F214 HydrophobicContact CZ-CZ 4.07Å
215K88.6Confident81.1Confident52 Ų5249.2 Ų49.223%0.22627%0.273CS..PPolyproline II helixtrans-59.3144.9171.2-67.3-170-174.7171.60110.7E189 D191E189-K215 HydrophobicContact CB-CB 4.33Å; E189-K215 HydrophobicContact CB-CD 3.86Å; E189-K215 HydrophobicContact CB-CG 4.15Å; E189-K215 PolarHBondContact O-N 3.09Å; E189-K215 WeakPolarHBondContact OE2-CD 3.43Å; E189-K215 WeakPolarHBondContact OE2-CE 3.41Å; E189-K215 IonicContact OE2-NZ 2.71Å; E189-K215 PolarHBondContact OE2-NZ 2.97Å; D191-K215 HydrophobicContact CB-CG 4.06Å
216L83.8Confident80.4Confident54 Ų5451.7 Ų51.728%0.28328%0.282SS..PPolyproline II helixtrans-63.4137.7173.9-81.2123.5000110.5A127 Q129 S218 Q219 S220A127-L216 WeakPolarHBondContact O-CD2 3.42Å; Q129-L216 HydrophobicContact CB-CD1 4.19Å; Q129-L216 HydrophobicContact CG-CD1 4.17Å; Q129-L216 HydrophobicContact CG-CG 4.39Å; L216-S218 PolarHBondContact O-N 2.79Å; L216-S218 VanDerWaalsContact O-N 3.11Å; L216-Q219 PolarHBondContact O-N 3.01Å; L216-S220 PolarHBondContact O-N 3.45Å
217E70.2Confident79.9Confident113 Ų11357 Ų5753%0.52830%0.3SS..Hα-helixtrans-58-26.8-176.2-155.199-141.600112.8R188 S220 S221R188-E217 IonicContact CZ-OE2 3.3Å; R188-E217 IonicContact NE-OE2 2.82Å; R188-E217 PolarHBondContact NE-OE2 2.95Å; R188-E217 IonicContact NH2-OE2 3.43Å; R188-E217 PolarHBondContact NH2-OE2 3.4Å; E217-S220 WeakPolarHBondContact CA-OG 3.45Å; E217-S220 PolarHBondContact O-OG 3.08Å; E217-S221 PolarHBondContact O-N 3.17Å; E217-S221 PolarHBondContact O-OG 3.37Å; E217-S221 VanDerWaalsContact O-OG 3.13Å
218S61.7Low79.3Confident88 Ų8859 Ų5962%0.61531%0.312SS*.Hα-helixtrans-72.5-34.6174.556.50000113L216 S222L216-S218 PolarHBondContact O-N 2.79Å; L216-S218 VanDerWaalsContact O-N 3.11Å; S218-S222 PolarHBondContact O-OG 2.86Å
219Q57.7Low78.8Confident103 Ų10363.9 Ų63.948%0.48134%0.338SS..Hα-helixtrans-81.6-32.8176.8-74.8-1713.600112.1L216 S222 T223L216-Q219 PolarHBondContact O-N 3.01Å; Q219-S222 WeakPolarHBondContact CA-OG 3.43Å; Q219-S222 PolarHBondContact O-OG 2.86Å; Q219-S222 VanDerWaalsContact O-OG 3.11Å; Q219-T223 WeakPolarHBondContact O-CB 3.49Å; Q219-T223 VanDerWaalsContact O-CG2 3.32Å; Q219-T223 WeakPolarHBondContact O-CG2 3.48Å; Q219-T223 PolarHBondContact O-N 3.34Å; Q219-T223 PolarHBondContact O-OG1 3.15Å
220S59Low78.3Confident25 Ų2568.6 Ų68.618%0.17536%0.361CS..Hα-helixtrans-63.3-44.1178.158.60000111.6L216 E217 T223 A224L216-S220 PolarHBondContact O-N 3.45Å; E217-S220 WeakPolarHBondContact CA-OG 3.45Å; E217-S220 PolarHBondContact O-OG 3.08Å; S220-T223 PolarHBondContact O-OG1 2.69Å; S220-A224 WeakPolarHBondContact O-CB 3.42Å; S220-A224 PolarHBondContact O-N 3.16Å
221S60.8Low77.8Confident63 Ų6374.6 Ų74.644%0.44139%0.39SS..Hα-helixtrans-65.7-44.2179.9-55.50000112.1E217 M225E217-S221 PolarHBondContact O-N 3.17Å; E217-S221 PolarHBondContact O-OG 3.37Å; E217-S221 VanDerWaalsContact O-OG 3.13Å; S221-M225 WeakPolarHBondContact O-CB 3.22Å; S221-M225 VanDerWaalsContact O-CG 3.31Å; S221-M225 WeakPolarHBondContact O-CG 3.18Å; S221-M225 PolarHBondContact O-N 2.84Å
222S63.9Low77.5Confident54 Ų5478.9 Ų78.938%0.37841%0.41SS..Hα-helixtrans-69.6-42.2179.549.30000112.4S218 Q219 M225 L226S218-S222 PolarHBondContact O-OG 2.86Å; Q219-S222 WeakPolarHBondContact CA-OG 3.43Å; Q219-S222 PolarHBondContact O-OG 2.86Å; Q219-S222 VanDerWaalsContact O-OG 3.11Å; S222-M225 PolarHBondContact O-N 2.92Å; S222-L226 WeakPolarHBondContact O-CB 3.49Å; S222-L226 VanDerWaalsContact O-CG 3.24Å; S222-L226 WeakPolarHBondContact O-CG 3.31Å; S222-L226 PolarHBondContact O-N 3.23Å
223T68.1Low77.3Confident48 Ų4885.4 Ų85.429%0.29444%0.439SS..Hα-helixtrans-68.9-35.2177.753.30000112.8Q219 S220 R227Q219-T223 WeakPolarHBondContact O-CB 3.49Å; Q219-T223 VanDerWaalsContact O-CG2 3.32Å; Q219-T223 WeakPolarHBondContact O-CG2 3.48Å; Q219-T223 PolarHBondContact O-N 3.34Å; Q219-T223 PolarHBondContact O-OG1 3.15Å; S220-T223 PolarHBondContact O-OG1 2.69Å; T223-R227 WeakPolarHBondContact O-CB 3.47Å; T223-R227 PolarHBondContact O-N 3.45Å
224A70.7Confident76.9Confident40 Ų4087.7 Ų87.733%0.33146%0.457SS..Hα-helixtrans-64.7-48.317200000111.5S220 L226 R227 D228S220-A224 WeakPolarHBondContact O-CB 3.42Å; S220-A224 PolarHBondContact O-N 3.16Å; A224-L226 VanDerWaalsContact C-N 3.35Å; A224-L226 PolarHBondContact O-N 3.22Å; A224-R227 PolarHBondContact O-N 3.29Å; A224-D228 PolarHBondContact O-N 3.02Å
225M74Confident76.8Confident137 Ų13795 Ų9568%0.67549%0.489SS*.Hα-helixtrans-60.7-41.4176.3-75.2-175.2-165.600112.5S221 S222 D228 L229S221-M225 WeakPolarHBondContact O-CB 3.22Å; S221-M225 VanDerWaalsContact O-CG 3.31Å; S221-M225 WeakPolarHBondContact O-CG 3.18Å; S221-M225 PolarHBondContact O-N 2.84Å; S222-M225 PolarHBondContact O-N 2.92Å; M225-D228 PolarHBondContact O-N 3.13Å; M225-L229 WeakPolarHBondContact O-CB 3.48Å; M225-L229 PolarHBondContact O-N 3.44Å
226L78.2Confident76.6Confident104 Ų10495 Ų9555%0.54550%0.499SS..Hα-helixtrans-63.4-41.8176.5-75171000111.6S222 A224 L229 E230S222-L226 WeakPolarHBondContact O-CB 3.49Å; S222-L226 VanDerWaalsContact O-CG 3.24Å; S222-L226 WeakPolarHBondContact O-CG 3.31Å; S222-L226 PolarHBondContact O-N 3.23Å; A224-L226 VanDerWaalsContact C-N 3.35Å; A224-L226 PolarHBondContact O-N 3.22Å; L226-L229 PolarHBondContact O-N 3.05Å; L226-E230 WeakPolarHBondContact O-CB 3.38Å; L226-E230 WeakPolarHBondContact O-CG 3.38Å; L226-E230 PolarHBondContact O-N 2.66Å
227R81.1Confident76.7Confident164 Ų16497.2 Ų97.262%0.61951%0.508SS*.Hα-helixtrans-62.6-43.8174.3-94.3-167.2157.91065.6112.6T223 A224 L229 E230 M231T223-R227 WeakPolarHBondContact O-CB 3.47Å; T223-R227 PolarHBondContact O-N 3.45Å; A224-R227 PolarHBondContact O-N 3.29Å; R227-L229 VanDerWaalsContact C-N 3.31Å; R227-E230 PolarHBondContact O-N 3.06Å; R227-M231 WeakPolarHBondContact O-CB 3.34Å; R227-M231 PolarHBondContact O-N 3.04Å
228D82.4Confident77.4Confident90 Ų9097.2 Ų97.248%0.48151%0.508SS..Hα-helixtrans-64.5-39.6177.7-75.8-25000111A224 M225 M231 Q232A224-D228 PolarHBondContact O-N 3.02Å; M225-D228 PolarHBondContact O-N 3.13Å; D228-M231 PolarHBondContact O-N 2.95Å; D228-Q232 WeakPolarHBondContact O-CB 3.42Å; D228-Q232 VanDerWaalsContact O-CG 3.3Å; D228-Q232 WeakPolarHBondContact O-CG 3.37Å; D228-Q232 PolarHBondContact O-N 3.01Å
229L85.3Confident78.4Confident110 Ų11095.1 Ų95.158%0.57650%0.496SS*.Hα-helixtrans-66.7-42.3176.1-162.375.2000112M225 L226 R227 Q232 K233M225-L229 WeakPolarHBondContact O-CB 3.48Å; M225-L229 PolarHBondContact O-N 3.44Å; L226-L229 PolarHBondContact O-N 3.05Å; R227-L229 VanDerWaalsContact C-N 3.31Å; L229-Q232 PolarHBondContact O-N 3.25Å; L229-K233 WeakPolarHBondContact O-CB 3.39Å; L229-K233 PolarHBondContact O-N 3.27Å
230E86.7Confident79.5Confident136 Ų13696.2 Ų96.264%0.63650%0.501SS*.Hα-helixtrans-62.4-41.6173.7-82.7179.2151.500111.8L226 R227 K233 A234L226-E230 WeakPolarHBondContact O-CB 3.38Å; L226-E230 WeakPolarHBondContact O-CG 3.38Å; L226-E230 PolarHBondContact O-N 2.66Å; R227-E230 PolarHBondContact O-N 3.06Å; E230-K233 PolarHBondContact O-N 3.24Å; E230-A234 WeakPolarHBondContact O-CB 3.42Å; E230-A234 PolarHBondContact O-N 2.89Å
231M86.8Confident80.5Confident126 Ų12699.9 Ų99.962%0.62152%0.518SS*.Hα-helixtrans-67.3-40.8178.3-161.8-176-4200111.8R227 D228 A234 K235R227-M231 WeakPolarHBondContact O-CB 3.34Å; R227-M231 PolarHBondContact O-N 3.04Å; D228-M231 PolarHBondContact O-N 2.95Å; M231-A234 PolarHBondContact O-N 3.1Å; M231-K235 WeakPolarHBondContact O-CB 3.31Å; M231-K235 PolarHBondContact O-N 2.93Å
232Q87.4Confident81.2Confident132 Ų132102.8 Ų102.862%0.61753%0.525SS*.Hα-helixtrans-63-41.4172.4-75.3179.713.600111.6D228 L229 K235 A236D228-Q232 WeakPolarHBondContact O-CB 3.42Å; D228-Q232 VanDerWaalsContact O-CG 3.3Å; D228-Q232 WeakPolarHBondContact O-CG 3.37Å; D228-Q232 PolarHBondContact O-N 3.01Å; L229-Q232 PolarHBondContact O-N 3.25Å; Q232-K235 PolarHBondContact O-N 3.02Å; Q232-A236 WeakPolarHBondContact O-CB 3.4Å; Q232-A236 PolarHBondContact O-N 2.92Å
233K89.9Confident81.7Confident138 Ų138107.3 Ų107.360%0.654%0.544SS*.Hα-helixtrans-64.7-43176.4-170.8176.8-180-1790112L229 E230 K235 A236 Q237L229-K233 WeakPolarHBondContact O-CB 3.39Å; L229-K233 PolarHBondContact O-N 3.27Å; E230-K233 PolarHBondContact O-N 3.24Å; K233-K235 VanDerWaalsContact C-N 3.35Å; K233-K235 PolarHBondContact O-N 3.28Å; K233-A236 PolarHBondContact O-N 3.06Å; K233-Q237 WeakPolarHBondContact O-CB 3.31Å; K233-Q237 VanDerWaalsContact O-CG 3.28Å; K233-Q237 WeakPolarHBondContact O-CG 3.34Å; K233-Q237 PolarHBondContact O-N 3.48Å
234A86.9Confident81.9Confident53 Ų53112.2 Ų112.244%0.43856%0.564SS.*Hα-helixtrans-62.9-41.4175.600000111.7E230 M231 Q237 H238E230-A234 WeakPolarHBondContact O-CB 3.42Å; E230-A234 PolarHBondContact O-N 2.89Å; M231-A234 PolarHBondContact O-N 3.1Å; A234-Q237 PolarHBondContact O-N 2.87Å; A234-H238 WeakPolarHBondContact O-CB 3.43Å; A234-H238 PolarHBondContact O-N 2.82Å
235K89Confident81.8Confident164 Ų164116.1 Ų116.171%0.71358%0.578SS**Hα-helixtrans-65.4-41.2175.8-168.1171.6-177.5176.60112M231 Q232 K233 H238 A239M231-K235 WeakPolarHBondContact O-CB 3.31Å; M231-K235 PolarHBondContact O-N 2.93Å; Q232-K235 PolarHBondContact O-N 3.02Å; K233-K235 VanDerWaalsContact C-N 3.35Å; K233-K235 PolarHBondContact O-N 3.28Å; K235-H238 PolarHBondContact O-N 3.2Å; K235-A239 WeakPolarHBondContact O-CB 3.42Å; K235-A239 PolarHBondContact O-N 2.65Å
236A86.3Confident81.7Confident53 Ų53114.6 Ų114.644%0.43858%0.579SS.*Hα-helixtrans-66-41.4175.600000112.1Q232 K233 A239 Q240Q232-A236 WeakPolarHBondContact O-CB 3.4Å; Q232-A236 PolarHBondContact O-N 2.92Å; K233-A236 PolarHBondContact O-N 3.06Å; A236-A239 PolarHBondContact O-N 2.79Å; A236-Q240 WeakPolarHBondContact O-CG 3.27Å; A236-Q240 PolarHBondContact O-N 3.23Å
237Q85.5Confident81.5Confident100 Ų100115 Ų11547%0.46759%0.588SS.*Hα-helixtrans-63.4-43.4174.9-76.3176.9-18.800111.8K233 A234 A239 Q240 L241K233-Q237 WeakPolarHBondContact O-CB 3.31Å; K233-Q237 VanDerWaalsContact O-CG 3.28Å; K233-Q237 WeakPolarHBondContact O-CG 3.34Å; K233-Q237 PolarHBondContact O-N 3.48Å; A234-Q237 PolarHBondContact O-N 2.87Å; Q237-A239 PolarHBondContact O-N 3.02Å; Q237-Q240 PolarHBondContact O-N 2.98Å; Q237-L241 WeakPolarHBondContact O-CG 3.22Å; Q237-L241 PolarHBondContact O-N 3.1Å
238H83.9Confident81.1Confident113 Ų113112.7 Ų112.752%0.52359%0.594SS.*Hα-helixtrans-64.6-39.8176.6-169.6-100.3000112A234 K235 L241 Q242A234-H238 WeakPolarHBondContact O-CB 3.43Å; A234-H238 PolarHBondContact O-N 2.82Å; K235-H238 PolarHBondContact O-N 3.2Å; H238-L241 PolarHBondContact O-N 3.33Å; H238-Q242 PolarHBondContact CE1-NE2 2.98Å; H238-Q242 WeakPolarHBondContact O-CG 3.29Å; H238-Q242 PolarHBondContact O-N 3.43Å
239A83.1Confident80.8Confident45 Ų45113.8 Ų113.837%0.37261%0.606SS.*Hα-helixtrans-64.9-38.5174.200000112.5K235 A236 Q237 Q242 L243K235-A239 WeakPolarHBondContact O-CB 3.42Å; K235-A239 PolarHBondContact O-N 2.65Å; A236-A239 PolarHBondContact O-N 2.79Å; Q237-A239 PolarHBondContact O-N 3.02Å; A239-Q242 PolarHBondContact O-N 3.23Å; A239-L243 WeakPolarHBondContact O-CG 3.31Å; A239-L243 PolarHBondContact O-N 2.95Å
240Q81.1Confident80.5Confident126 Ų126114 Ų11459%0.58961%0.614SS**Hα-helixtrans-66.4-40.1174.5-78.7-179.8-9.800112.5A236 Q237 Q242 L243 Q244A236-Q240 WeakPolarHBondContact O-CG 3.27Å; A236-Q240 PolarHBondContact O-N 3.23Å; Q237-Q240 PolarHBondContact O-N 2.98Å; Q240-Q242 VanDerWaalsContact C-N 3.35Å; Q240-L243 PolarHBondContact O-N 3.36Å; Q240-Q244 PolarHBondContact O-N 3.11Å
241L79.3Confident80.1Confident101 Ų101113 Ų11353%0.52962%0.619SS.*Hα-helixtrans-63.8-40.9174.5-73.6166.7000111.1Q237 H238 L243 Q244 L245Q237-L241 WeakPolarHBondContact O-CG 3.22Å; Q237-L241 PolarHBondContact O-N 3.1Å; H238-L241 PolarHBondContact O-N 3.33Å; L241-L243 VanDerWaalsContact C-N 3.26Å; L241-L243 PolarHBondContact O-N 2.93Å; L241-Q244 PolarHBondContact O-N 3.18Å; L241-Q244 VanDerWaalsContact O-N 3.1Å; L241-L245 WeakPolarHBondContact O-CD1 3.34Å; L241-L245 PolarHBondContact O-N 2.86Å
242Q75.3Confident79.6Confident124 Ų124112.4 Ų112.458%0.57962%0.624SS**Hα-helixtrans-62.3-30.3175.3-77.5-175.2-22.600113.7H238 A239 Q240 Q244H238-Q242 PolarHBondContact CE1-NE2 2.98Å; H238-Q242 WeakPolarHBondContact O-CG 3.29Å; H238-Q242 PolarHBondContact O-N 3.43Å; A239-Q242 PolarHBondContact O-N 3.23Å; Q240-Q242 VanDerWaalsContact C-N 3.35Å; Q242-Q244 VanDerWaalsContact C-N 3.34Å
243L75.7Confident79.2Confident150 Ų150111.6 Ų111.679%0.78563%0.631SS**Hα-helixtrans-76.1-18.3175.4-73.2165.7000113.7A239 Q240 L241A239-L243 WeakPolarHBondContact O-CG 3.31Å; A239-L243 PolarHBondContact O-N 2.95Å; Q240-L243 PolarHBondContact O-N 3.36Å; L241-L243 VanDerWaalsContact C-N 3.26Å; L241-L243 PolarHBondContact O-N 2.93Å
244Q71.6Confident78.5Confident151 Ų151110.4 Ų110.471%0.70664%0.637SS**Hα-helixtrans-89.7-13.4176.2-67.9179.312.700113Q240 L241 Q242Q240-Q244 PolarHBondContact O-N 3.11Å; L241-Q244 PolarHBondContact O-N 3.18Å; L241-Q244 VanDerWaalsContact O-N 3.1Å; Q242-Q244 VanDerWaalsContact C-N 3.34Å
245L69.2Low77.9Confident121 Ų121113.3 Ų113.363%0.63465%0.652SS**SBendtrans-69.8130.6171.4-85.890.1000108.9L241L241-L245 WeakPolarHBondContact O-CD1 3.34Å; L241-L245 PolarHBondContact O-N 2.86Å
246P71.6Confident76.9Confident106 Ų106110.5 Ų110.569%0.68865%0.65SS**PPolyproline II helixtrans-56.5143.7172.124.8-32.5000109
247P73.4Confident76.1Confident113 Ų113113.9 Ų113.973%0.73467%0.668SS**PPolyproline II helixtrans-53.5139.4175.823.5-32.9000109
248P72.8Confident74.8Confident114 Ų114117.4 Ų117.474%0.7468%0.684SS**PPolyproline II helixtrans-55.4139.5176.624-32.7000108.8
249P76.1Confident73Confident114 Ų114116.9 Ų116.974%0.7470%0.699SS**PPolyproline II helixtrans-56141.7178.723.1-32.5000109.5
250P79Confident71.5Confident115 Ų115122.2 Ų122.275%0.74772%0.72SS**PPolyproline II helixtrans-56142176.823.3-32.3000109.7
251P77.4Confident69.7Low114 Ų114119.5 Ų119.574%0.7473%0.726SS**PPolyproline II helixtrans-57.9144.4176.424.5-32.7000109.8
252P77.2Confident68.4Low113 Ų113122.3 Ų122.373%0.73474%0.74SS**PPolyproline II helixtrans-58.4144.1177.124.2-32.6000110.2
253P78.4Confident67.2Low115 Ų115122.3 Ų122.375%0.74775%0.751SS**PPolyproline II helixtrans-5914517724.5-32.7000110.2
254P75.4Confident65.8Low114 Ų114122.3 Ų122.374%0.7475%0.75SS**PPolyproline II helixtrans-59.5145.3175.725.2-32.9000110.3
255P73.9Confident64.7Low114 Ų114120.4 Ų120.474%0.7475%0.751SS**PPolyproline II helixtrans-60.2144.4175.724.9-32.5000110.4
256P69.2Low63.7Low105 Ų105119.1 Ų119.168%0.68275%0.752SS**PPolyproline II helixtrans-60140.417924.3-32.5000110.3H258P256-H258 PolarHBondContact O-N 2.95Å
257P68.2Low62.6Low124 Ų124123.9 Ų123.981%0.80576%0.762SS**PPolyproline II helixtrans-64.2121.3175.325.2-30.5000108.9A259P257-A259 PolarHBondContact O-N 3.29Å
258H58.2Low61.3Low173 Ų173125.8 Ų125.880%0.80177%0.765SS**  trans-62.9107.4166.7-71.1-75.8000108.2P256 I260P256-H258 PolarHBondContact O-N 2.95Å; H258-I260 PolarHBondContact O-N 3.08Å
259A46.9Very low60Low103 Ų103127.7 Ų127.785%0.85177%0.768SS**  trans-6698.6171.400000109P257P257-A259 PolarHBondContact O-N 3.29Å
260I50.8Low58.7Low157 Ų157127.9 Ų127.981%0.80576%0.763SS**  trans-103.2103.2159-60.6176.5000105.1H258H258-I260 PolarHBondContact O-N 3.08Å
261G44Very low57.8Low69 Ų69130.7 Ų130.771%0.71177%0.769SS**  trans-71.4128.8-176.600000111.9
262L51.3Low56.3Low160 Ų160130.5 Ų130.584%0.83877%0.767SS**  trans-142.5141.9152.2-81.5172.8000108.4
263P51.1Low54.9Low123 Ų123132.7 Ų132.780%0.79977%0.772SS**  trans-84.3143.3-165.630.7-25.8000112.6
264I47Very low53.3Low151 Ų151134.1 Ų134.177%0.77477%0.773SS**  trans-86.8152.9174.5-56.8162000108.8
265P47.6Very low51.9Low111 Ų111133.8 Ų133.872%0.72177%0.769SS**  trans-120.1130.5141.228.9-15.6000112.2
266S47.5Very low50.6Low93 Ų93133.2 Ų133.265%0.6577%0.768SS**  trans-67.4143.1-179.1-48.50000113.7
267F48.3Very low49.6Very low207 Ų207136 Ų13691%0.90878%0.776SS**  trans-131.7118.6145.9-62.4-75.4000109.2
268L47.1Very low48.7Very low153 Ų153136.5 Ų136.580%0.80178%0.778SS**  trans-64.5153.3176.2-63.2148.6000109.6
269L46.3Very low48.2Very low153 Ų153136.1 Ų136.180%0.80178%0.781SS**  -177.4127.268.3-100.4114.2000106.3
270N48Very low49Very low119 Ų119139.2 Ų139.264%0.63678%0.78SS**  82.595.192.7-164.778.4000115.5
271M58.9Low49.9Very low174 Ų174137.3 Ų137.386%0.85778%0.778SS**  trans-162.8127.2140.6-83.8-49.5146.300109.5
272P47.4Very low51.4Low110 Ų110139.6 Ų139.671%0.71478%0.78SS**  trans-111.9164168.237.1-26.6000113.2
273L46.8Very low52.7Low159 Ų159137.5 Ų137.583%0.83278%0.777SS**  trans83.3108.7151-146.175000117
274N44.9Very low53.9Low144 Ų144137.3 Ų137.377%0.7778%0.775SS**  -172159.291.7-1564.3000111.3
275T45.8Very low55.3Low107 Ų107135.7 Ų135.766%0.65677%0.774SS**  trans-85.3164.4-156.746.70000115.7
276S46.4Very low56.6Low103 Ų103135.9 Ų135.972%0.7278%0.776SS**  trans79.5102.7150.5-56.40000117.5
277L48.5Very low57.8Low162 Ų162137 Ų13785%0.84878%0.78SS**  171.4139.4116.6-88155.8000110.5
278T50.6Low58.6Low136 Ų136132.8 Ų132.883%0.83477%0.774SS**  trans84101.1168.171.40000118.5M280T278-M280 PolarHBondContact O-N 3.07Å
279N47.1Very low58.8Low165 Ų165132.9 Ų132.988%0.88277%0.774SS**  trans-65.5112162.3-106.3-11.7000110.4
280M63Low58.8Low167 Ų167134.2 Ų134.282%0.82378%0.778SS**  trans-141127.8154-83.9-74.3129.500107.3T278T278-M280 PolarHBondContact O-N 3.07Å
281P69.9Low58.6Low117 Ų117134.9 Ų134.976%0.7679%0.786SS**PPolyproline II helixtrans-69.7137.9176.328.5-31.8000110
282P77Confident57.7Low117 Ų117130.3 Ų130.376%0.7678%0.783SS**PPolyproline II helixtrans-69.6150.1174.228.9-33.2000111.1
283P77.1Confident57.5Low117 Ų117129 Ų12976%0.7678%0.782SS**PPolyproline II helixtrans-66.1150.2173.827.9-33.8000111.6
284P76.2Confident57.2Low119 Ų119130.1 Ų130.177%0.77378%0.78SS**PPolyproline II helixtrans-66.8147.3179.127.3-33.8000112
285P77.5Confident57.1Low116 Ų116130.1 Ų130.175%0.75378%0.78SS**PPolyproline II helixtrans-68.4151.5178.128.2-33.9000112.1
286P74.7Confident57.3Low116 Ų116132 Ų13275%0.75379%0.792SS**PPolyproline II helixtrans-65.9150.2175.727.7-33.6000111.7
287P72.9Confident57.2Low115 Ų115136.6 Ų136.675%0.74780%0.799SS**PPolyproline II helixtrans-65.2148179.526.8-33.7000111.8
288P64.3Low57.1Low120 Ų120134.7 Ų134.778%0.77980%0.796SS**PPolyproline II helixtrans-69134.6-175.927.8-32.6000111.3M290P288-M290 PolarHBondContact O-N 3.05Å
289I52.3Low57.2Low155 Ų155136.2 Ų136.280%0.79580%0.798SS**  trans-70.6110.1171.2-60172.2000107.6V291I289-V291 HydrophobicContact CG2-CG2 4.23Å; I289-V291 PolarHBondContact O-N 2.5Å
290M45.7Very low57.7Low181 Ų181136 Ų13689%0.89280%0.796SS**  trans-72105.1169.7-72.7-178.568.800109.7P288P288-M290 PolarHBondContact O-N 3.05Å
291V43.5Very low58Low133 Ų133133.2 Ų133.281%0.80679%0.791SS**  trans-9096.7162.8179.10000107.3I289I289-V291 HydrophobicContact CG2-CG2 4.23Å; I289-V291 PolarHBondContact O-N 2.5Å
292G39.6Very low58.2Low77 Ų77133.2 Ų133.279%0.79479%0.79SS**  trans-86.5111.4171.600000110.5
293A44.9Very low58.1Low82 Ų82133.1 Ų133.168%0.67879%0.79SS**  trans-81.4134.1175.300000111.8
294K40.4Very low58Low184 Ų184133 Ų13380%0.879%0.79SS**  trans70136.2136.3-65.7-179.4-180-176.90121.6
295D42.9Very low58Low143 Ų143132.9 Ų132.977%0.76579%0.789SS**  trans77.885.2152.2-57.7-38.8000118.9
296T48.4Very low57.8Low148 Ų148132.8 Ų132.891%0.90879%0.788SS**  trans-155.3132.1140.418.80000109.9
297K44.7Very low57.6Low198 Ų198132.7 Ų132.786%0.86179%0.787SS**  trans-49.7139.1-179.1-84.9166.3169.1175.30112.5L299K297-L299 PolarHBondContact O-N 3.27Å
298P47.3Very low57.3Low123 Ų123131.7 Ų131.780%0.79978%0.781SS**  trans-81114174.831.2-28.6000110
299L52.4Low56.8Low168 Ų168131.9 Ų131.988%0.8879%0.785SS**PPolyproline II helixtrans-78116.7153.2-92.697.9000107.6K297K297-L299 PolarHBondContact O-N 3.27Å
300L56.2Low56.8Low160 Ų160133.2 Ų133.284%0.83879%0.785SS**PPolyproline II helixtrans-61.3130.2171.5-80147.6000109.9
301P70.8Confident57Low109 Ų109130 Ų13071%0.70878%0.78SS**PPolyproline II helixtrans-69.3145.9167.528.6-32.1000110.2
302P74.1Confident57Low116 Ų116132.4 Ų132.475%0.75379%0.788SS**PPolyproline II helixtrans-64.8150.9176.227.3-33.9000111.5
303P74.6Confident57.4Low115 Ų115131.9 Ų131.975%0.74778%0.783SS**PPolyproline II helixtrans-64.3149.4177.427.2-34.1000111.7
304P75.1Confident58Low116 Ų116132.4 Ų132.475%0.75379%0.787SS**PPolyproline II helixtrans-66.3150.6176.728.1-34000111.6
305P75.9Confident59.4Low116 Ų116129.3 Ų129.375%0.75379%0.786SS**PPolyproline II helixtrans-64.7151.2176.427.4-33.9000111.6
306P72.9Confident60.8Low114 Ų114128.2 Ų128.274%0.7479%0.786SS**PPolyproline II helixtrans-63.9148.4177.427-33.7000111.4
307P71.7Confident62.2Low113 Ų113126.8 Ų126.873%0.73478%0.78SS**PPolyproline II helixtrans-63.5149.2175.727.6-33.8000110.9S309P307-S309 PolarHBondContact O-N 3.43Å
308P66.3Low63.8Low94 Ų94122.9 Ų122.961%0.6178%0.775SS**PPolyproline II helixtrans-61133.7179.823.9-31.3000110.8F310P308-F310 HydrophobicContact CG-CE2 3.84Å; P308-F310 HydrophobicContact CG-CZ 4.07Å; P308-F310 WeakPolarHBondContact O-CD2 3.22Å; P308-F310 PolarHBondContact O-N 3.31Å
309S53.7Low65.3Low124 Ų124122.8 Ų122.887%0.86777%0.774SS**  trans-64.999172.6-53.50000109.4P307 S311P307-S309 PolarHBondContact O-N 3.43Å; S309-S311 PolarHBondContact O-N 2.98Å; S309-S311 VanDerWaalsContact O-N 3.1Å
310F51.2Low66.4Low183 Ų183120.4 Ų120.480%0.80377%0.769SS**  trans-74.799.7166.5-69.7-76.8000108.1P308 L312P308-F310 HydrophobicContact CG-CE2 3.84Å; P308-F310 HydrophobicContact CG-CZ 4.07Å; P308-F310 WeakPolarHBondContact O-CD2 3.22Å; P308-F310 PolarHBondContact O-N 3.31Å; F310-L312 PolarHBondContact O-N 2.91Å
311S50.5Low67.3Low113 Ų113118.2 Ų118.279%0.7976%0.764SS**  trans-57.8131.9162.3-1700000108.6S309 G313S309-S311 PolarHBondContact O-N 2.98Å; S309-S311 VanDerWaalsContact O-N 3.1Å; S311-G313 VanDerWaalsContact C-N 3.29Å; S311-G313 PolarHBondContact O-N 3.03Å
312L44.3Very low67.1Low184 Ų184118.6 Ų118.696%0.96377%0.766SS**  trans-59.289173-82.1140.2000109.5F310F310-L312 PolarHBondContact O-N 2.91Å
313G47.3Very low66.4Low67 Ų67119.9 Ų119.969%0.69177%0.772SS**  trans-103.4134.3168.400000109.7S311S311-G313 VanDerWaalsContact C-N 3.29Å; S311-G313 PolarHBondContact O-N 3.03Å
314A57.9Low65.1Low92 Ų92123.9 Ų123.976%0.7678%0.778SS**  trans-44.7150.9-173.200000115.8
315P69.1Low63.8Low120 Ų120121.8 Ų121.878%0.77978%0.778SS**PPolyproline II helixtrans-61.8141.7173.927-34.2000111.1
316P72.7Confident62.4Low119 Ų119122.6 Ų122.677%0.77378%0.781SS**PPolyproline II helixtrans-66.1148175.527.7-33.7000111.2
317P77.2Confident61Low119 Ų119124.9 Ų124.977%0.77379%0.786SS**PPolyproline II helixtrans-68.6152177.228.5-34.1000112.1
318P79.4Confident59.8Low116 Ų116123.5 Ų123.575%0.75378%0.78SS**PPolyproline II helixtrans-68.3151.917828.3-34.3000112.5
319P77.4Confident58.6Low120 Ų120126.9 Ų126.978%0.77979%0.793SS**PPolyproline II helixtrans-68.8149.8178.528.4-34.3000112.5
320P76.5Confident58Low119 Ų119124.6 Ų124.677%0.77379%0.789SS**PPolyproline II helixtrans-71.6153.9177.529.4-34.2000112.6
321P74.6Confident57.6Low114 Ų114124.8 Ų124.874%0.7480%0.797SS**PPolyproline II helixtrans-68.5153.5178.628.4-34.4000112.6T323P321-T323 PolarHBondContact O-N 2.98Å
322P67.7Low57.1Low117 Ų117123 Ų12376%0.7680%0.796SS**PPolyproline II helixtrans-67128.9-177.326.4-32.5000111.7
323T59.5Low57Low142 Ų142120.4 Ų120.487%0.87179%0.789SS**PPolyproline II helixtrans-79.5120.6174.8-3.30000109.5P321 G325P321-T323 PolarHBondContact O-N 2.98Å; T323-G325 PolarHBondContact O-N 3.35Å; T323-G325 VanDerWaalsContact O-N 3.12Å
324F46.5Very low56.8Low199 Ų199124.7 Ų124.787%0.87380%0.796SS**  trans-72.998.8168.5-77.1-90000109.1V326F324-V326 PolarHBondContact O-N 3.43Å
325G48.1Very low56.3Low73 Ų73124.7 Ų124.775%0.75380%0.795SS**  trans-82.7104167.800000110.3T323 N327T323-G325 PolarHBondContact O-N 3.35Å; T323-G325 VanDerWaalsContact O-N 3.12Å; G325-N327 PolarHBondContact O-N 2.93Å
326V45.1Very low55.1Low133 Ų133124.8 Ų124.881%0.80680%0.799SS**  trans-67.1119.3160.5177.30000106.9F324F324-V326 PolarHBondContact O-N 3.43Å
327N44.7Very low54.1Low161 Ų161124.8 Ų124.886%0.86180%0.802SS**  trans-127.6121.1168.1-1394.1000110.3G325G325-N327 PolarHBondContact O-N 2.93Å
328S46Very low53Low85 Ų85123.5 Ų123.559%0.59480%0.801SS**  trans-81.8149.3-178-30.50000110.3
329N41.8Very low52.2Low165 Ų165123.8 Ų123.888%0.88280%0.803SS**  trans70.5105.6156.9-60.9-13.4000118.2
330G39.9Very low51.6Low76 Ų76125.8 Ų125.878%0.78481%0.805SS**  trans-157.498.2157.100000109.6
331L43Very low51.6Low186 Ų186125.1 Ų125.197%0.97480%0.801SS**  trans-53.9134.7169.3-93.375.9000110.5
332G40.9Very low51.8Low76 Ų76125.3 Ų125.378%0.78480%0.802SS**  trans-173.995.6171.500000111.3
333T42.5Very low52.4Low130 Ų130125.3 Ų125.380%0.79880%0.802SS**  trans-60132.8176.9500000112.6
334N43.4Very low53.4Low157 Ų157124.1 Ų124.184%0.8480%0.797SS**  trans-173.2130.8133.3-101.5-28.9000114.1
335A46Very low54.9Low91 Ų91120.2 Ų120.275%0.75279%0.792SS**  trans5799.9145.600000120
336S44.1Very low56.4Low123 Ų123122.7 Ų122.786%0.8680%0.795SS**  trans-24.1126.9152-540000116.6
337S51.8Low57.8Low119 Ų119122.5 Ų122.583%0.83279%0.794SS**  trans-155.582156.3-65.80000108
338A54.5Low59.2Low91 Ų91120.2 Ų120.275%0.75279%0.788SS**PPolyproline II helixtrans-72.1139.4172.400000109.9I340A338-I340 PolarHBondContact O-N 3.05Å
339P62Low60.4Low123 Ų123121.9 Ų121.980%0.79980%0.797SS**PPolyproline II helixtrans-71.6126.9175.328.6-31000110.1
340I65.9Low61.2Low161 Ų161118.6 Ų118.683%0.82679%0.792SS**PPolyproline II helixtrans-70128.9176.9-58.2169.3000108.7A338A338-I340 PolarHBondContact O-N 3.05Å
341P76.2Confident62Low106 Ų106120.6 Ų120.669%0.68879%0.794SS**PPolyproline II helixtrans-69.6149174.828.4-33.6000111.6
342P78.3Confident62.4Low117 Ų117117.8 Ų117.876%0.7679%0.785SS**PPolyproline II helixtrans-67.6152.6178.428.6-34.4000112.1
343P80.2Confident62.6Low117 Ų117122.4 Ų122.476%0.7679%0.786SS**PPolyproline II helixtrans-68.2152.4178.428.7-34.6000112.2
344P80.1Confident62.9Low118 Ų118124 Ų12477%0.76679%0.789SS**PPolyproline II helixtrans-67.515317828.5-34.6000112.2
345P79.4Confident62.8Low116 Ų116123.8 Ų123.875%0.75379%0.788SS**PPolyproline II helixtrans-67.5148.8178.128-34.1000112.1
346P77.9Confident63.2Low126 Ų126123.1 Ų123.182%0.81879%0.79SS**PPolyproline II helixtrans-67.5138.5177.526.6-32.6000111.7
347T75.4Confident62.9Low128 Ų128129.1 Ų129.179%0.78581%0.812SS**PPolyproline II helixtrans-62.9136.5174.841.60000111.4
348P73.5Confident63.5Low114 Ų114129.6 Ų129.674%0.7481%0.811SS**PPolyproline II helixtrans-65.1145.4175.227.5-33.4000110.9A350P348-A350 PolarHBondContact O-N 3.21Å
349P71.3Confident63.9Low120 Ų120131.6 Ų131.678%0.77981%0.814SS**PPolyproline II helixtrans-65.5135.5175.926.5-32.5000110.6S351P349-S351 PolarHBondContact O-N 3.1Å
350A59.8Low64.1Low96 Ų96132.1 Ų132.179%0.79382%0.815SS**PPolyproline II helixtrans-57.5120.4176.200000110.4P348 V352P348-A350 PolarHBondContact O-N 3.21Å; A350-V352 PolarHBondContact O-N 3.45Å; A350-V352 VanDerWaalsContact O-N 3.11Å
351S54.9Low64Low118 Ų118130.4 Ų130.483%0.82581%0.814SS**  trans-65.2108.9168.5-58.80000108.8P349 Q353P349-S351 PolarHBondContact O-N 3.1Å; S351-Q353 PolarHBondContact O-N 2.86Å; S351-Q353 VanDerWaalsContact O-N 3.14Å
352V51.9Low63.2Low127 Ų127131.9 Ų131.977%0.7782%0.822SS**  trans-65.9108166.2176.50000107.3A350 L354A350-V352 PolarHBondContact O-N 3.45Å; A350-V352 VanDerWaalsContact O-N 3.11Å; V352-L354 PolarHBondContact O-N 3.09Å
353Q45.2Very low62.2Low173 Ų173132.9 Ų132.981%0.80883%0.826SS**  trans-63.5115162.6-82.7177.6-2100108.4S351S351-Q353 PolarHBondContact O-N 2.86Å; S351-Q353 VanDerWaalsContact O-N 3.14Å
354L49.8Very low60.9Low164 Ų164134.1 Ų134.186%0.85983%0.831SS**  trans-94.895.2158.6-95.1157.1000107.5V352V352-L354 PolarHBondContact O-N 3.09Å
355N41.4Very low59.4Low152 Ų152135.3 Ų135.381%0.81384%0.836SS**  trans-82.8132.3152.9-87.5-4000107.5
356G52.9Low57.7Low77 Ų77136.9 Ų136.979%0.79484%0.843SS**  trans16388.7167.700000114.5
357N39.1Very low55.9Low248 Ų248137.9 Ų137.9100%1.32685%0.845SS**  trans65.90169.8-85.31.7000120.3

Retrieved 357 of 357 residues in 295.3 ms (Link to these results)