A0A077YYW4_TRITR Loading...

UTP--glucose-1-phosphate uridylyltransferase

UTP--glucose-1-phosphate uridylyltransferase catalyzing the conversion of glucose-1-phosphate into UDP-glucose, a crucial precursor for the production of glycogen.

AlphaFold DB , UniProt , Accession A0A077YYW4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 466 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
1M31.6Very low49.3Very low229 Ų229143.7 Ų143.7100%1.12871%0.71SS**  097.20-74.9174.8-175.200109.6
2R28.6Very low51.4Low249 Ų249138.4 Ų138.494%0.9468%0.676SS**  trans-129104.7163.4-86.8-174.2177178.60106.3L4R2-L4 PolarHBondContact O-N 2.94Å; R2-L4 VanDerWaalsContact O-N 3.14Å
3F30.8Very low53.6Low185 Ų185131.5 Ų131.581%0.81166%0.655SS**  trans-57.9110.8176.4-75.1-97.5000108.9I5F3-I5 VanDerWaalsContact C-N 3.33Å; F3-I5 PolarHBondContact O-N 2.7Å; F3-I5 VanDerWaalsContact O-N 3.12Å
4L35.2Very low55.4Low146 Ų146128.6 Ų128.676%0.76464%0.636SS**  trans-66.4101.3153.8-80.7160.7000105.1R2 A6R2-L4 PolarHBondContact O-N 2.94Å; R2-L4 VanDerWaalsContact O-N 3.14Å; L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 2.88Å
5I36.6Very low57.2Low156 Ų156121.4 Ų121.480%0.860%0.599SS**  trans-61101.2173.9-61.1171.8000106F3F3-I5 VanDerWaalsContact C-N 3.33Å; F3-I5 PolarHBondContact O-N 2.7Å; F3-I5 VanDerWaalsContact O-N 3.12Å
6A42.4Very low58.8Low73 Ų73121.1 Ų121.160%0.60359%0.594SS**PPolyproline II helixtrans-55.6132.1171.400000107.6L4L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 2.88Å
7P53.1Low60.2Low32 Ų32120.5 Ų120.521%0.20859%0.589CS.*PPolyproline II helixtrans-46.9144170.5-25.125000110.6L9 R11 W12P7-L9 PolarHBondContact O-N 3.32Å; P7-R11 HydrophobicContact CB-CB 4.02Å; P7-R11 HydrophobicContact CB-CG 4.03Å; P7-W12 HydrophobicContact CB-CG 4.47Å; P7-W12 HydrophobicContact CG-CD2 4.41Å; P7-W12 HydrophobicContact CG-CZ2 3.7Å; P7-W12 VanDerWaalsContact CG-NE1 3.33Å
8P66Low61.4Low88 Ų88114.3 Ų114.357%0.57156%0.561SS**PPolyproline II helixtrans-49.6136.3175.8-20.929.4000109.1Q10 R11P8-Q10 PolarHBondContact O-N 2.65Å; P8-R11 WeakPolarHBondContact O-CB 3.45Å; P8-R11 PolarHBondContact O-N 3.11Å
9L72.8Confident62.5Low160 Ų160109.4 Ų109.484%0.83854%0.537SS*.Hα-helixtrans-41.1-39.3-176-86.7147.1000113.7P7 R11 W12 A13P7-L9 PolarHBondContact O-N 3.32Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 3.31Å; L9-W12 PolarHBondContact O-N 3.44Å; L9-A13 PolarHBondContact O-N 3.1Å
10Q72.8Confident63.6Low167 Ų167108.6 Ų108.678%0.7853%0.532SS*.Hα-helixtrans-57-39.1176-67.8174.6-14.800113.9P8 A13 K14P8-Q10 PolarHBondContact O-N 2.65Å; Q10-A13 PolarHBondContact O-N 3.16Å; Q10-K14 PolarHBondContact O-N 3.42Å
11R71.9Confident64.5Low96 Ų96107.8 Ų107.836%0.36252%0.523SS..Hα-helixtrans-68.6-37.5178.6-179.4163.9170.1-158.62.6111.7P7 P8 L9 Y15 N150P7-R11 HydrophobicContact CB-CB 4.02Å; P7-R11 HydrophobicContact CB-CG 4.03Å; P8-R11 WeakPolarHBondContact O-CB 3.45Å; P8-R11 PolarHBondContact O-N 3.11Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 3.31Å; R11-Y15 HydrophobicContact CG-CD2 4.23Å; R11-Y15 HydrophobicContact CG-CE1 4.33Å; R11-Y15 HydrophobicContact CG-CE2 3.67Å; R11-Y15 VanDerWaalsContact CZ-OH 3.24Å; R11-Y15 VanDerWaalsContact NE-CZ 3.33Å; R11-Y15 PolarHBondContact NE-OH 3.15Å; R11-Y15 PolarHBondContact NH2-OH 2.82Å; R11-Y15 WeakPolarHBondContact O-CD2 3.32Å; R11-Y15 VanDerWaalsContact O-CG 3.28Å; R11-Y15 PolarHBondContact O-N 3.17Å; R11-Y15 VanDerWaalsContact O-N 3.12Å; R11-N150 PolarHBondContact NH2-ND2 3.47Å
12W75.1Confident67Low80 Ų8098.1 Ų98.130%0.30348%0.476SS..Hα-helixtrans-70-38.9175.3-76.9113.9000112.8P7 L9 K14 Y15 F16 W180P7-W12 HydrophobicContact CB-CG 4.47Å; P7-W12 HydrophobicContact CG-CD2 4.41Å; P7-W12 HydrophobicContact CG-CZ2 3.7Å; P7-W12 VanDerWaalsContact CG-NE1 3.33Å; L9-W12 PolarHBondContact O-N 3.44Å; W12-K14 VanDerWaalsContact C-N 3.28Å; W12-K14 PolarHBondContact O-N 2.91Å; W12-Y15 HydrophobicContact CE3-CD2 4.06Å; W12-Y15 HydrophobicContact CZ3-CD2 4.33Å; W12-Y15 PolarHBondContact O-N 3.31Å; W12-F16 WeakPolarHBondContact O-CB 3.27Å; W12-F16 PolarHBondContact O-N 3.03Å; W12-W180 HydrophobicContact CE3-CH2 4.33Å; W12-W180 HydrophobicContact CH2-CD2 4.34Å; W12-W180 HydrophobicContact CH2-CE3 4.44Å; W12-W180 HydrophobicContact CH2-CH2 4.02Å; W12-W180 AromaticContact CH2-CZ2 3.86Å; W12-W180 HydrophobicContact CH2-CZ2 3.86Å; W12-W180 HydrophobicContact CH2-CZ3 4.3Å; W12-W180 HydrophobicContact CZ3-CD2 4.41Å; W12-W180 HydrophobicContact CZ3-CE3 4.06Å; W12-W180 AromaticContact CZ3-CH2 3.54Å; W12-W180 HydrophobicContact CZ3-CH2 3.54Å; W12-W180 AromaticContact CZ3-CZ2 3.88Å; W12-W180 HydrophobicContact CZ3-CZ2 3.88Å; W12-W180 AromaticContact CZ3-CZ3 3.62Å; W12-W180 HydrophobicContact CZ3-CZ3 3.62Å
13A80.2Confident69.6Low49 Ų4988.7 Ų88.741%0.40544%0.441SS..Hα-helixtrans-56-47174.500000110.8L9 Q10 Y15 F16 E17L9-A13 PolarHBondContact O-N 3.1Å; Q10-A13 PolarHBondContact O-N 3.16Å; A13-Y15 PolarHBondContact O-N 3.29Å; A13-F16 WeakPolarHBondContact O-CB 3.49Å; A13-F16 PolarHBondContact O-N 2.91Å; A13-F16 VanDerWaalsContact O-N 3.15Å; A13-E17 WeakPolarHBondContact O-CG 3.12Å; A13-E17 PolarHBondContact O-N 3Å
14K78.7Confident72.1Confident91 Ų9183 Ų8340%0.39642%0.422SS..Hα-helixtrans-62.3-41.9176.9-171.4167-170.1162.90113.9Q10 W12 F16 E17 G18 S194Q10-K14 PolarHBondContact O-N 3.42Å; W12-K14 VanDerWaalsContact C-N 3.28Å; W12-K14 PolarHBondContact O-N 2.91Å; K14-F16 VanDerWaalsContact C-N 3.28Å; K14-F16 PolarHBondContact O-N 3.48Å; K14-E17 PolarHBondContact O-N 3.25Å; K14-G18 PolarHBondContact O-N 2.91Å; K14-S194 WeakPolarHBondContact CE-OG 2.8Å; K14-S194 PolarHBondContact NZ-OG 3.06Å
15Y81.9Confident74.4Confident20 Ų2078.8 Ų78.88%0.07840%0.4CS..Hα-helixtrans-63.7-37.1174.8-67.8-18.5000112.2R11 W12 A13 F19 Q151 S152 C153R11-Y15 HydrophobicContact CG-CD2 4.23Å; R11-Y15 HydrophobicContact CG-CE1 4.33Å; R11-Y15 HydrophobicContact CG-CE2 3.67Å; R11-Y15 VanDerWaalsContact CZ-OH 3.24Å; R11-Y15 VanDerWaalsContact NE-CZ 3.33Å; R11-Y15 PolarHBondContact NE-OH 3.15Å; R11-Y15 PolarHBondContact NH2-OH 2.82Å; R11-Y15 WeakPolarHBondContact O-CD2 3.32Å; R11-Y15 VanDerWaalsContact O-CG 3.28Å; R11-Y15 PolarHBondContact O-N 3.17Å; R11-Y15 VanDerWaalsContact O-N 3.12Å; W12-Y15 HydrophobicContact CE3-CD2 4.06Å; W12-Y15 HydrophobicContact CZ3-CD2 4.33Å; W12-Y15 PolarHBondContact O-N 3.31Å; A13-Y15 PolarHBondContact O-N 3.29Å; Y15-F19 VanDerWaalsContact O-CB 3.27Å; Y15-F19 WeakPolarHBondContact O-CB 3.46Å; Y15-F19 PolarHBondContact O-N 2.99Å; Y15-Q151 PolarHBondContact OH-O 3.47Å; Y15-S152 VanDerWaalsContact CE1-CA 3.47Å; Y15-C153 HydrophobicContact CD2-CB 3.91Å; Y15-C153 HydrophobicContact CE2-CB 3.91Å
16F82.4Confident76.6Confident117 Ų11774 Ų7451%0.51337%0.374SS..Hα-helixtrans-68.4-40.9176.2-170.8-110.3000112.1W12 A13 K14 F19 Q20W12-F16 WeakPolarHBondContact O-CB 3.27Å; W12-F16 PolarHBondContact O-N 3.03Å; A13-F16 WeakPolarHBondContact O-CB 3.49Å; A13-F16 PolarHBondContact O-N 2.91Å; A13-F16 VanDerWaalsContact O-N 3.15Å; K14-F16 VanDerWaalsContact C-N 3.28Å; K14-F16 PolarHBondContact O-N 3.48Å; F16-F19 HydrophobicContact CD2-CD1 4.39Å; F16-F19 HydrophobicContact CE2-CD1 4.43Å; F16-F19 WeakPolarHBondContact O-CB 3.48Å; F16-F19 PolarHBondContact O-N 3.05Å; F16-Q20 HydrophobicContact CD1-CG 4.16Å; F16-Q20 HydrophobicContact CE1-CG 3.89Å; F16-Q20 HydrophobicContact CZ-CG 4.07Å; F16-Q20 WeakPolarHBondContact O-CB 3.49Å; F16-Q20 WeakPolarHBondContact O-CG 2.93Å; F16-Q20 PolarHBondContact O-N 2.68Å
17E83.5Confident78.5Confident111 Ų11176 Ų7652%0.51937%0.374SS..Hα-helixtrans-60.5-47173.8-72.9170.1-174.300112.2A13 K14 F19 Q20 R21A13-E17 WeakPolarHBondContact O-CG 3.12Å; A13-E17 PolarHBondContact O-N 3Å; K14-E17 PolarHBondContact O-N 3.25Å; E17-F19 VanDerWaalsContact C-N 3.32Å; E17-F19 PolarHBondContact O-N 3.27Å; E17-Q20 PolarHBondContact O-N 3.32Å; E17-R21 WeakPolarHBondContact O-CG 3.49Å; E17-R21 PolarHBondContact O-N 3.36Å
18G81.1Confident79.8Confident8 Ų881.4 Ų81.48%0.08240%0.396CS..Hα-helixtrans-59.4-43.6175.100000112.1K14 R21 L22K14-G18 PolarHBondContact O-N 2.91Å; G18-R21 PolarHBondContact O-N 2.74Å; G18-L22 PolarHBondContact O-N 3.26Å
19F82.6Confident80.2Confident21 Ų2181.3 Ų81.39%0.09239%0.394CS..Hα-helixtrans-63.5-42.9175.5175-99.5000113Y15 F16 E17 R21 L22 F23 C154 C155 F157Y15-F19 VanDerWaalsContact O-CB 3.27Å; Y15-F19 WeakPolarHBondContact O-CB 3.46Å; Y15-F19 PolarHBondContact O-N 2.99Å; F16-F19 HydrophobicContact CD2-CD1 4.39Å; F16-F19 HydrophobicContact CE2-CD1 4.43Å; F16-F19 WeakPolarHBondContact O-CB 3.48Å; F16-F19 PolarHBondContact O-N 3.05Å; E17-F19 VanDerWaalsContact C-N 3.32Å; E17-F19 PolarHBondContact O-N 3.27Å; F19-R21 VanDerWaalsContact C-N 3.31Å; F19-R21 PolarHBondContact O-N 2.99Å; F19-L22 PolarHBondContact O-N 2.92Å; F19-F23 WeakPolarHBondContact O-CB 3.4Å; F19-F23 PolarHBondContact O-N 3.2Å; F19-C154 HydrophobicContact CD2-CB 3.96Å; F19-C155 WeakPolarHBondContact CE2-O 3.49Å; F19-C155 WeakPolarHBondContact CZ-SG 3.33Å; F19-F157 HydrophobicContact CD2-CZ 4.37Å; F19-F157 HydrophobicContact CE1-CE1 4.13Å; F19-F157 AromaticContact CE1-CZ 3.85Å; F19-F157 HydrophobicContact CE1-CZ 3.85Å; F19-F157 HydrophobicContact CE2-CD2 4.47Å; F19-F157 HydrophobicContact CE2-CE1 4.13Å; F19-F157 AromaticContact CE2-CE2 3.45Å; F19-F157 HydrophobicContact CE2-CE2 3.45Å; F19-F157 VanDerWaalsContact CE2-CE2 3.45Å; F19-F157 AromaticContact CE2-CZ 3.25Å; F19-F157 HydrophobicContact CE2-CZ 3.25Å; F19-F157 HydrophobicContact CZ-CD1 4.36Å; F19-F157 AromaticContact CZ-CE1 3.39Å; F19-F157 HydrophobicContact CZ-CE1 3.39Å; F19-F157 AromaticContact CZ-CE2 3.62Å; F19-F157 HydrophobicContact CZ-CE2 3.62Å; F19-F157 AromaticContact CZ-CZ 2.94Å; F19-F157 HydrophobicContact CZ-CZ 2.94Å
20Q84.3Confident80Confident94 Ų9483.9 Ų83.944%0.43939%0.392SS..Hα-helixtrans-60.8-40.2176.3-78.1-178.9-4500111.7F16 E17 F23 T24F16-Q20 HydrophobicContact CD1-CG 4.16Å; F16-Q20 HydrophobicContact CE1-CG 3.89Å; F16-Q20 HydrophobicContact CZ-CG 4.07Å; F16-Q20 WeakPolarHBondContact O-CB 3.49Å; F16-Q20 WeakPolarHBondContact O-CG 2.93Å; F16-Q20 PolarHBondContact O-N 2.68Å; E17-Q20 PolarHBondContact O-N 3.32Å; Q20-F23 PolarHBondContact O-N 2.64Å; Q20-T24 WeakPolarHBondContact O-CB 3.25Å; Q20-T24 PolarHBondContact O-N 2.88Å; Q20-T24 PolarHBondContact O-OG1 2.9Å
21R82.9Confident79.9Confident91 Ų9180.7 Ų80.734%0.34339%0.386SS..Hα-helixtrans-63.8-49.5175.1-72.5-175.1-68168.91111.8E17 G18 F19 F23 T24 N25 E190 N304E17-R21 WeakPolarHBondContact O-CG 3.49Å; E17-R21 PolarHBondContact O-N 3.36Å; G18-R21 PolarHBondContact O-N 2.74Å; F19-R21 VanDerWaalsContact C-N 3.31Å; F19-R21 PolarHBondContact O-N 2.99Å; R21-F23 VanDerWaalsContact C-N 3.28Å; R21-F23 PolarHBondContact O-N 2.86Å; R21-T24 PolarHBondContact O-N 3.3Å; R21-N25 WeakPolarHBondContact O-CB 3.45Å; R21-N25 PolarHBondContact O-N 3.02Å; R21-E190 IonicContact CZ-OE1 3.58Å; R21-E190 IonicContact CZ-OE2 3.25Å; R21-E190 IonicContact NH1-OE1 2.98Å; R21-E190 PolarHBondContact NH1-OE1 2.55Å; R21-E190 IonicContact NH2-OE1 2.76Å; R21-E190 PolarHBondContact NH2-OE1 2.68Å; R21-E190 IonicContact NH2-OE2 3.81Å; R21-E190 PolarHBondContact NH2-OE2 3.33Å; R21-N304 PolarHBondContact NH1-OD1 3.31Å; R21-N304 VanDerWaalsContact NH1-OD1 3.14Å
22L83.4Confident80.1Confident27 Ų2779 Ų7914%0.14139%0.386CS..Hα-helixtrans-56.6-44.2175.6-74.3174.4000111.7G18 F19 N25 F26 P183 I310 T328G18-L22 PolarHBondContact O-N 3.26Å; F19-L22 PolarHBondContact O-N 2.92Å; L22-N25 PolarHBondContact O-N 2.81Å; L22-F26 WeakPolarHBondContact O-CB 3.4Å; L22-F26 PolarHBondContact O-N 3Å; L22-P183 HydrophobicContact CD1-CB 4.02Å; L22-I310 WeakPolarHBondContact O-CD1 3.47Å; L22-T328 HydrophobicContact CD2-CG2 3.69Å
23F83.3Confident80.6Confident50 Ų5076.4 Ų76.422%0.21938%0.38CS..Hα-helixtrans-68.4-40.1179.9-169.1-109.3000112.7F19 Q20 R21 F26 L27 F157 M166 L326F19-F23 WeakPolarHBondContact O-CB 3.4Å; F19-F23 PolarHBondContact O-N 3.2Å; Q20-F23 PolarHBondContact O-N 2.64Å; R21-F23 VanDerWaalsContact C-N 3.28Å; R21-F23 PolarHBondContact O-N 2.86Å; F23-F26 HydrophobicContact CD2-CD1 4.33Å; F23-F26 HydrophobicContact CE2-CD1 4.32Å; F23-F26 WeakPolarHBondContact O-CB 3.42Å; F23-F26 PolarHBondContact O-N 2.88Å; F23-L27 HydrophobicContact CD1-CD1 4.02Å; F23-L27 HydrophobicContact CD1-CG 4.48Å; F23-L27 HydrophobicContact CE1-CD1 3.68Å; F23-L27 HydrophobicContact CE1-CG 4.25Å; F23-L27 HydrophobicContact CZ-CD1 4.31Å; F23-L27 HydrophobicContact CZ-CD2 4.44Å; F23-L27 WeakPolarHBondContact O-CG 3.41Å; F23-L27 PolarHBondContact O-N 3.22Å; F23-L27 VanDerWaalsContact O-N 3.09Å; F23-F157 HydrophobicContact CB-CZ 4.31Å; F23-F157 HydrophobicContact CD2-CD1 4.41Å; F23-F157 AromaticContact CD2-CE1 3.4Å; F23-F157 HydrophobicContact CD2-CE1 3.4Å; F23-F157 VanDerWaalsContact CD2-CE1 3.4Å; F23-F157 AromaticContact CD2-CE2 3.92Å; F23-F157 HydrophobicContact CD2-CE2 3.92Å; F23-F157 AromaticContact CD2-CZ 3.07Å; F23-F157 HydrophobicContact CD2-CZ 3.07Å; F23-F157 AromaticContact CE2-CD1 3.94Å; F23-F157 HydrophobicContact CE2-CD1 3.94Å; F23-F157 AromaticContact CE2-CE1 3.25Å; F23-F157 HydrophobicContact CE2-CE1 3.25Å; F23-F157 HydrophobicContact CE2-CE2 4.29Å; F23-F157 AromaticContact CE2-CZ 3.45Å; F23-F157 HydrophobicContact CE2-CZ 3.45Å; F23-F157 VanDerWaalsContact CE2-CZ 3.45Å; F23-F157 HydrophobicContact CG-CE1 4.22Å; F23-F157 AromaticContact CG-CZ 3.9Å; F23-F157 HydrophobicContact CG-CZ 3.9Å; F23-F157 HydrophobicContact CZ-CE1 4.01Å; F23-M166 HydrophobicContact CE2-CE 3.54Å; F23-M166 HydrophobicContact CE2-SD 4.13Å; F23-M166 HydrophobicContact CZ-CE 3.71Å; F23-M166 HydrophobicContact CZ-SD 4.46Å; F23-L326 HydrophobicContact CD2-CD1 4.12Å
24T84.5Confident81Confident65 Ų6577.9 Ų77.940%0.39938%0.38SS..Hα-helixtrans-61.7-46.4176.1-58.80000110.8Q20 R21 F26 L27 Q28Q20-T24 WeakPolarHBondContact O-CB 3.25Å; Q20-T24 PolarHBondContact O-N 2.88Å; Q20-T24 PolarHBondContact O-OG1 2.9Å; R21-T24 PolarHBondContact O-N 3.3Å; T24-F26 VanDerWaalsContact C-N 3.3Å; T24-F26 PolarHBondContact O-N 3.21Å; T24-L27 PolarHBondContact O-N 3.23Å; T24-Q28 WeakPolarHBondContact O-CG 3.45Å; T24-Q28 PolarHBondContact O-N 2.93Å
25N82.8Confident81.4Confident59 Ų5975.2 Ų75.232%0.31637%0.368SS..Hα-helixtrans-61.9-39.5176.3-73.31.7000111.5R21 L22 L27 Q28 V29 I310R21-N25 WeakPolarHBondContact O-CB 3.45Å; R21-N25 PolarHBondContact O-N 3.02Å; L22-N25 PolarHBondContact O-N 2.81Å; N25-L27 VanDerWaalsContact C-N 3.28Å; N25-L27 PolarHBondContact O-N 2.86Å; N25-Q28 PolarHBondContact O-N 2.81Å; N25-V29 WeakPolarHBondContact O-CB 3.34Å; N25-V29 VanDerWaalsContact O-CG2 3.32Å; N25-V29 WeakPolarHBondContact O-CG2 3.4Å; N25-V29 PolarHBondContact O-N 2.77Å; N25-I310 HydrophobicContact CB-CD1 3.46Å; N25-I310 VanDerWaalsContact CB-CD1 3.46Å
26F82.7Confident81.8Confident55 Ų5579 Ų7924%0.24140%0.397CS..Hα-helixtrans-60.6-37.3176.1167.2-103.3000112.3L22 F23 T24 M166 I310 V312 L326L22-F26 WeakPolarHBondContact O-CB 3.4Å; L22-F26 PolarHBondContact O-N 3Å; F23-F26 HydrophobicContact CD2-CD1 4.33Å; F23-F26 HydrophobicContact CE2-CD1 4.32Å; F23-F26 WeakPolarHBondContact O-CB 3.42Å; F23-F26 PolarHBondContact O-N 2.88Å; T24-F26 VanDerWaalsContact C-N 3.3Å; T24-F26 PolarHBondContact O-N 3.21Å; F26-M166 HydrophobicContact CE1-CE 3.84Å; F26-I310 HydrophobicContact CB-CD1 3.84Å; F26-I310 HydrophobicContact CD2-CG2 4.49Å; F26-V312 HydrophobicContact CD2-CG2 3.79Å; F26-V312 HydrophobicContact CE2-CG1 4.48Å; F26-V312 HydrophobicContact CE2-CG2 3.6Å; F26-L326 HydrophobicContact CB-CD1 3.93Å; F26-L326 HydrophobicContact CD1-CD1 4.37Å; F26-L326 HydrophobicContact CD2-CD2 3.88Å; F26-L326 HydrophobicContact CE2-CD2 4.26Å; F26-L326 HydrophobicContact CG-CD1 4.05Å; F26-L326 HydrophobicContact CG-CD2 4.12Å
27L83Confident82.2Confident114 Ų11479.1 Ų79.160%0.59740%0.395SS*.Hα-helixtrans-75.2-25.2178.4-66.2177.8000113.5F23 T24 N25F23-L27 HydrophobicContact CD1-CD1 4.02Å; F23-L27 HydrophobicContact CD1-CG 4.48Å; F23-L27 HydrophobicContact CE1-CD1 3.68Å; F23-L27 HydrophobicContact CE1-CG 4.25Å; F23-L27 HydrophobicContact CZ-CD1 4.31Å; F23-L27 HydrophobicContact CZ-CD2 4.44Å; F23-L27 WeakPolarHBondContact O-CG 3.41Å; F23-L27 PolarHBondContact O-N 3.22Å; F23-L27 VanDerWaalsContact O-N 3.09Å; T24-L27 PolarHBondContact O-N 3.23Å; N25-L27 VanDerWaalsContact C-N 3.28Å; N25-L27 PolarHBondContact O-N 2.86Å
28Q80.5Confident82.5Confident146 Ų14675.6 Ų75.668%0.68238%0.379SS*.Hα-helixtrans-93.7-34.7-175.4-70.2178.9-1.800113.6T24 N25T24-Q28 WeakPolarHBondContact O-CG 3.45Å; T24-Q28 PolarHBondContact O-N 2.93Å; N25-Q28 PolarHBondContact O-N 2.81Å
29V73.3Confident82.8Confident86 Ų8678.1 Ų78.152%0.52140%0.395SS..SBendtrans-93135.4-167.6-178.40000111N25N25-V29 WeakPolarHBondContact O-CB 3.34Å; N25-V29 VanDerWaalsContact O-CG2 3.32Å; N25-V29 WeakPolarHBondContact O-CG2 3.4Å; N25-V29 PolarHBondContact O-N 2.77Å
30R69Low82.7Confident215 Ų21585.9 Ų85.981%0.81143%0.432SS*.  trans-63.8134.6170.4-70.3-173.2-179-174.11.3109.2T32R30-T32 PolarHBondContact O-N 3.11Å
31P69.8Low82.8Confident100 Ų10084.1 Ų84.165%0.64943%0.425SS*.SBendtrans-67.4-21-175.626-34.4000113.3
32T77.9Confident82.9Confident60 Ų6082.6 Ų82.637%0.36843%0.427SS..SBendtrans-121.9147-174.857.80000112.1R30 Q267R30-T32 PolarHBondContact O-N 3.11Å; T32-Q267 WeakPolarHBondContact CA-O 3.26Å; T32-Q267 WeakPolarHBondContact CB-O 3.29Å
33V84.3Confident82.8Confident26 Ų2691.9 Ų91.916%0.15847%0.466CS..  trans-72.4154.1172.4-62.80000111.1W35 I38 Y256 L263 Q267 P269V33-W35 PolarHBondContact O-N 2.86Å; V33-I38 HydrophobicContact CG2-CD1 4.01Å; V33-Y256 HydrophobicContact CB-CE2 4.03Å; V33-Y256 HydrophobicContact CG1-CE2 4.48Å; V33-L263 HydrophobicContact CG1-CD1 4.17Å; V33-L263 HydrophobicContact CG2-CD1 3.73Å; V33-Q267 HydrophobicContact CG1-CB 4.49Å; V33-Q267 PolarHBondContact N-O 3.35Å; V33-P269 WeakPolarHBondContact O-CG 3.38Å
34D88.2Confident82.9Confident79 Ų7992.4 Ų92.442%0.42249%0.486SS..  trans-76.5108.1165.6-175.9-13.8000108.8S36 R37D34-S36 VanDerWaalsContact CG-OG 3.29Å; D34-S36 PolarHBondContact O-N 3.43Å; D34-S36 VanDerWaalsContact O-N 3.16Å; D34-S36 WeakPolarHBondContact OD1-CB 3.41Å; D34-S36 PolarHBondContact OD1-N 3.14Å; D34-S36 VanDerWaalsContact OD1-N 3.11Å; D34-S36 PolarHBondContact OD1-OG 3.41Å; D34-S36 PolarHBondContact OD2-OG 3.15Å; D34-R37 HydrophobicContact CB-CG 4.11Å; D34-R37 PolarHBondContact O-N 2.94Å; D34-R37 VanDerWaalsContact O-N 3.1Å
35W89Confident83.1Confident35 Ų3589.6 Ų89.613%0.13347%0.469CS..G310 helixtrans-58.3-30.4-175.2-162.6-102.7000112.6V33 R37 I38 L263 V268 H272 E275 F276 F282V33-W35 PolarHBondContact O-N 2.86Å; W35-R37 PolarHBondContact O-N 3.32Å; W35-I38 HydrophobicContact CD2-CD1 3.88Å; W35-I38 HydrophobicContact CE3-CD1 3.53Å; W35-I38 HydrophobicContact CG-CD1 4.43Å; W35-I38 HydrophobicContact CZ3-CD1 3.88Å; W35-I38 WeakPolarHBondContact O-CB 3.34Å; W35-I38 PolarHBondContact O-N 3.22Å; W35-L263 HydrophobicContact CH2-CD2 4.42Å; W35-L263 HydrophobicContact CZ3-CD2 4.01Å; W35-V268 HydrophobicContact CE3-CG1 4.27Å; W35-V268 HydrophobicContact CH2-CG1 4.12Å; W35-V268 HydrophobicContact CZ3-CB 4.24Å; W35-V268 HydrophobicContact CZ3-CG1 3.58Å; W35-V268 HydrophobicContact CZ3-CG2 3.96Å; W35-H272 AromaticContact CD1-CD2 3.7Å; W35-H272 AromaticContact CD1-CE1 3.61Å; W35-H272 AromaticContact CD1-CG 3.52Å; W35-H272 AromaticContact CD1-ND1 3.45Å; W35-H272 AromaticContact CD1-NE2 3.75Å; W35-H272 HydrophobicContact CD2-CB 3.52Å; W35-H272 AromaticContact CD2-CD2 3.95Å; W35-H272 AromaticContact CD2-CG 3.68Å; W35-H272 AromaticContact CE2-CG 3.81Å; W35-H272 HydrophobicContact CE3-CB 3.84Å; W35-H272 HydrophobicContact CG-CB 3.96Å; W35-H272 AromaticContact CG-CD2 3.44Å; W35-H272 VanDerWaalsContact CG-CD2 3.44Å; W35-H272 AromaticContact CG-CG 3.53Å; W35-H272 AromaticContact CG-ND1 3.95Å; W35-H272 AromaticContact CG-NE2 3.83Å; W35-H272 HydrophobicContact CH2-CB 4.19Å; W35-H272 HydrophobicContact CZ2-CB 3.88Å; W35-H272 HydrophobicContact CZ3-CB 4.17Å; W35-H272 AromaticContact NE1-CG 3.65Å; W35-H272 AromaticContact NE1-ND1 3.54Å; W35-E275 HydrophobicContact CZ2-CB 3.75Å; W35-E275 PolarHBondContact NE1-OE2 3.41Å; W35-F276 HydrophobicContact CH2-CB 4.02Å; W35-F276 HydrophobicContact CH2-CD2 4.47Å; W35-F282 AromaticContact CH2-CE2 3.96Å; W35-F282 HydrophobicContact CH2-CE2 3.96Å; W35-F282 HydrophobicContact CH2-CZ 4.03Å; W35-F282 HydrophobicContact CZ2-CE2 4.07Å; W35-F282 HydrophobicContact CZ2-CZ 4.18Å
36S88.9Confident83.4Confident100 Ų10088.5 Ų88.570%0.69947%0.465SS*.G310 helixtrans-68.9-21.3-178.870.90000113.7D34D34-S36 VanDerWaalsContact CG-OG 3.29Å; D34-S36 PolarHBondContact O-N 3.43Å; D34-S36 VanDerWaalsContact O-N 3.16Å; D34-S36 WeakPolarHBondContact OD1-CB 3.41Å; D34-S36 PolarHBondContact OD1-N 3.14Å; D34-S36 VanDerWaalsContact OD1-N 3.11Å; D34-S36 PolarHBondContact OD1-OG 3.41Å; D34-S36 PolarHBondContact OD2-OG 3.15Å
37R91.1Very high83.8Confident120 Ų12087.5 Ų87.545%0.45346%0.464SS..G310 helixtrans-90.1-6.3-179.5-61.4179.773.5168.47.3113.1D34 W35 S39 Y256 D257D34-R37 HydrophobicContact CB-CG 4.11Å; D34-R37 PolarHBondContact O-N 2.94Å; D34-R37 VanDerWaalsContact O-N 3.1Å; W35-R37 PolarHBondContact O-N 3.32Å; R37-S39 PolarHBondContact O-N 2.98Å; R37-Y256 HydrophobicContact CB-CD2 4.23Å; R37-Y256 HydrophobicContact CB-CE2 3.69Å; R37-D257 IonicContact CZ-OD1 2.79Å; R37-D257 IonicContact CZ-OD2 3.14Å; R37-D257 VanDerWaalsContact CZ-OD2 3.25Å; R37-D257 IonicContact NE-OD1 3.25Å; R37-D257 PolarHBondContact NE-OD1 3.11Å; R37-D257 IonicContact NE-OD2 2.94Å; R37-D257 IonicContact NH1-OD2 2.7Å; R37-D257 IonicContact NH2-OD1 3.65Å; R37-D257 PolarHBondContact NH2-OD1 3.42Å; R37-D257 IonicContact NH2-OD2 2.7Å; R37-D257 PolarHBondContact NH2-OD2 3.07Å
38I89.4Confident84.1Confident36 Ų3687.1 Ų87.119%0.18546%0.458CS..EExtended strand (participates in β ladder)trans-72.6123.9175.9-58.5178.2000108.6V33 W35 I254 Y256 L263V33-I38 HydrophobicContact CG2-CD1 4.01Å; W35-I38 HydrophobicContact CD2-CD1 3.88Å; W35-I38 HydrophobicContact CE3-CD1 3.53Å; W35-I38 HydrophobicContact CG-CD1 4.43Å; W35-I38 HydrophobicContact CZ3-CD1 3.88Å; W35-I38 WeakPolarHBondContact O-CB 3.34Å; W35-I38 PolarHBondContact O-N 3.22Å; I38-I254 HydrophobicContact CD1-CD1 4.15Å; I38-I254 HydrophobicContact CG1-CD1 3.99Å; I38-I254 HydrophobicContact CG2-CB 4.08Å; I38-I254 HydrophobicContact CG2-CD1 4.23Å; I38-I254 HydrophobicContact CG2-CG2 4.15Å; I38-Y256 HydrophobicContact CG1-CD2 4.16Å; I38-L263 HydrophobicContact CD1-CD2 4.16Å
39S87.2Confident84.3Confident62 Ų6281.8 Ų81.843%0.43443%0.432SS..EExtended strand (participates in β ladder)trans-119.9166.9178.4600000111.4R37 S255R37-S39 PolarHBondContact O-N 2.98Å; S39-S255 PolarHBondContact N-O 3.18Å; S39-S255 PolarHBondContact O-N 3.21Å; S39-S255 VanDerWaalsContact OG-CB 3.27Å; S39-S255 WeakPolarHBondContact OG-CB 3.42Å; S39-S255 PolarHBondContact OG-O 2.83Å; S39-S255 PolarHBondContact OG-OG 2.85Å
40Q81.4Confident84.5Confident184 Ų18481.4 Ų81.486%0.8643%0.433SS*.PPolyproline II helixtrans-61.8145.6172.3-68.2-176-8.600110.3S255Q40-S255 WeakPolarHBondContact O-CB 3.25Å
41L87.4Confident84.7Confident56 Ų5674.4 Ų74.429%0.29342%0.417SS..PPolyproline II helixtrans-57.8135.7177-72.7167.4000110.4A45 V46 L253 I254 I260L41-A45 HydrophobicContact CB-CB 4.08Å; L41-A45 HydrophobicContact CD2-CB 4.38Å; L41-V46 HydrophobicContact CD1-CG2 3.66Å; L41-L253 HydrophobicContact CD1-CB 4.16Å; L41-L253 HydrophobicContact CD2-CB 4.23Å; L41-I254 VanDerWaalsContact CD2-C 3.43Å; L41-I260 HydrophobicContact CD2-CG1 4.31Å; L41-I260 HydrophobicContact CD2-CG2 4.32Å
42P84.5Confident84.2Confident60 Ų6070.7 Ų70.739%0.3939%0.394SS..PPolyproline II helixtrans-62.3153.918019.4-24.9000111.1G44 A45P42-G44 PolarHBondContact O-N 3.17Å; P42-A45 HydrophobicContact CG-CB 3.93Å; P42-A45 WeakPolarHBondContact O-CB 3.46Å; P42-A45 PolarHBondContact O-N 3.09Å
43K81.6Confident83Confident221 Ų22170.5 Ų70.596%0.96140%0.395SS*.THydrogen-bonded Turntrans-57.9128175.5-68.7-174.8179.8-179.50109.2
44G84.9Confident81.4Confident62 Ų6275.5 Ų75.564%0.63942%0.421SS*.THydrogen-bonded Turntrans90.1-9.1-176.500000115.3P42 V46P42-G44 PolarHBondContact O-N 3.17Å; G44-V46 PolarHBondContact O-N 3.37Å
45A87.9Confident79.9Confident5 Ų577.3 Ų77.34%0.04143%0.426CS..SBendtrans-63.6-25.317400000113.4L41 P42 I260 I341 G342L41-A45 HydrophobicContact CB-CB 4.08Å; L41-A45 HydrophobicContact CD2-CB 4.38Å; P42-A45 HydrophobicContact CG-CB 3.93Å; P42-A45 WeakPolarHBondContact O-CB 3.46Å; P42-A45 PolarHBondContact O-N 3.09Å; A45-I260 HydrophobicContact CB-CD1 3.48Å; A45-I260 VanDerWaalsContact CB-CD1 3.48Å; A45-I260 HydrophobicContact CB-CG1 4.07Å; A45-I341 WeakPolarHBondContact O-CA 3.44Å; A45-G342 PolarHBondContact O-N 3.42Å
46V90.3Very high78.6Confident36 Ų3680.1 Ų80.122%0.21846%0.457CS..EExtended strand (participates in β ladder)trans-131.4129.8-179.8177.60000109L41 G44 L240 G342 I344L41-V46 HydrophobicContact CD1-CG2 3.66Å; G44-V46 PolarHBondContact O-N 3.37Å; V46-L240 HydrophobicContact CG2-CD1 4.49Å; V46-G342 CarbonylContact C-O 3.57Å; V46-G342 VanDerWaalsContact CA-O 3.25Å; V46-G342 WeakPolarHBondContact CA-O 3.06Å; V46-I344 HydrophobicContact CG1-CD1 3.43Å; V46-I344 VanDerWaalsContact CG1-CD1 3.43Å; V46-I344 HydrophobicContact CG1-CG1 3.44Å; V46-I344 VanDerWaalsContact CG1-CG1 3.44Å
47S90.8Very high77.9Confident34 Ų3476.9 Ų76.924%0.23843%0.433CS..EExtended strand (participates in β ladder)trans-112.4158.5171.1650000110.9G342 V343 I344S47-G342 PolarHBondContact N-O 2.88Å; S47-V343 WeakPolarHBondContact O-CA 3.29Å; S47-V343 WeakPolarHBondContact OG-CG2 3.14Å; S47-I344 PolarHBondContact O-N 2.99Å
48F88.9Confident77.4Confident107 Ų10774.4 Ų74.447%0.46943%0.431SS..EExtended strand (participates in β ladder)trans-97.5138.4176.3-69.8-85.3000109.7S50 S51 I344F48-S50 PolarHBondContact O-N 3.1Å; F48-S50 VanDerWaalsContact O-N 3.13Å; F48-S51 PolarHBondContact O-N 3.43Å; F48-S51 PolarHBondContact O-OG 3.03Å; F48-I344 HydrophobicContact CD1-CB 4.01Å; F48-I344 HydrophobicContact CD1-CG1 4.16Å; F48-I344 HydrophobicContact CD1-CG2 4.41Å; F48-I344 HydrophobicContact CE1-CB 4.36Å; F48-I344 HydrophobicContact CE1-CG1 4.12Å
49Y85.7Confident77.1Confident34 Ų3475.7 Ų75.713%0.13345%0.447CS..Hα-helixtrans-56.6-31.6176.2-176.6-103.3000113.5S51 S52 S53 D222 R224 I225 I344 V345 P346Y49-S51 VanDerWaalsContact C-N 3.3Å; Y49-S51 PolarHBondContact O-N 3.49Å; Y49-S52 WeakPolarHBondContact O-CB 3.48Å; Y49-S52 PolarHBondContact O-N 3.02Å; Y49-S53 PolarHBondContact O-N 3.43Å; Y49-D222 WeakPolarHBondContact CE2-OD2 3.19Å; Y49-D222 VanDerWaalsContact CZ-OD2 3.25Å; Y49-D222 PolarHBondContact OH-OD2 3.19Å; Y49-R224 PolarHBondContact OH-NE 3.07Å; Y49-R224 PolarHBondContact OH-NH2 2.89Å; Y49-I225 HydrophobicContact CD2-CD1 4.22Å; Y49-I225 HydrophobicContact CD2-CG1 4.06Å; Y49-I225 HydrophobicContact CE2-CD1 4.03Å; Y49-I225 HydrophobicContact CE2-CG1 3.89Å; Y49-I344 WeakPolarHBondContact CB-O 3.46Å; Y49-I344 PolarHBondContact N-O 3.31Å; Y49-V345 HydrophobicContact CD2-CG1 4.2Å; Y49-P346 HydrophobicContact CD1-CG 4.42Å; Y49-P346 HydrophobicContact CE1-CG 4.43Å
50S77.2Confident77Confident78 Ų7878.9 Ų78.955%0.54546%0.459SS..Hα-helixtrans-67.8-23.4175.353.30000114.1F48 S52 S53F48-S50 PolarHBondContact O-N 3.1Å; F48-S50 VanDerWaalsContact O-N 3.13Å; S50-S52 VanDerWaalsContact C-N 3.35Å; S50-S53 PolarHBondContact O-OG 2.96Å
51S71.8Confident77.2Confident68 Ų6872.6 Ų72.648%0.47643%0.431SS..Hα-helixtrans-73.5-31.5171.850.40000111.7F48 Y49 S53F48-S51 PolarHBondContact O-N 3.43Å; F48-S51 PolarHBondContact O-OG 3.03Å; Y49-S51 VanDerWaalsContact C-N 3.3Å; Y49-S51 PolarHBondContact O-N 3.49Å; S51-S53 VanDerWaalsContact C-N 3.27Å; S51-S53 PolarHBondContact O-N 3.37Å
52S59.1Low77.2Confident22 Ų2271.2 Ų71.215%0.15442%0.424CS..Hα-helixtrans-74.3-14.7176.7-52.60000113.4Y49 S50 N54Y49-S52 WeakPolarHBondContact O-CB 3.48Å; Y49-S52 PolarHBondContact O-N 3.02Å; S50-S52 VanDerWaalsContact C-N 3.35Å; S52-N54 VanDerWaalsContact C-N 3.3Å; S52-N54 PolarHBondContact O-N 3.16Å
53S53.5Low77.4Confident56 Ų5669.7 Ų69.739%0.39241%0.414SS..THydrogen-bonded Turntrans-78.6-817953.30000114.7Y49 S50 S51Y49-S53 PolarHBondContact O-N 3.43Å; S50-S53 PolarHBondContact O-OG 2.96Å; S51-S53 VanDerWaalsContact C-N 3.27Å; S51-S53 PolarHBondContact O-N 3.37Å
54N50.1Low77.8Confident131 Ų13164.7 Ų64.770%0.70139%0.393SS*.THydrogen-bonded Turntrans-87-5.9-175.5-75.2-5.8000114.5S52S52-N54 VanDerWaalsContact C-N 3.3Å; S52-N54 PolarHBondContact O-N 3.16Å
55H56.9Low78Confident116 Ų11661.8 Ų61.854%0.53736%0.363SS..SBendtrans-99.7121.1171.2-62.2-25000108.7V57H55-V57 VanDerWaalsContact C-N 3.32Å; H55-V57 PolarHBondContact O-N 3.11Å
56A61.6Low78.2Confident94 Ų9461.7 Ų61.778%0.77736%0.361SS*.  trans-66.293.1177.600000108.8T58A56-T58 PolarHBondContact O-N 3.2Å
57V73.8Confident78.3Confident32 Ų3264.9 Ų64.919%0.19437%0.374CS..  trans-66.5104.9176.3-165.70000107.7H55 I61 I62 R224H55-V57 VanDerWaalsContact C-N 3.32Å; H55-V57 PolarHBondContact O-N 3.11Å; V57-I61 HydrophobicContact CG1-CB 4.07Å; V57-I61 HydrophobicContact CG1-CG2 3.73Å; V57-I62 HydrophobicContact CB-CG1 4.39Å; V57-I62 HydrophobicContact CG1-CD1 4.21Å; V57-I62 HydrophobicContact CG1-CG1 3.5Å; V57-I62 VanDerWaalsContact CG1-CG1 3.5Å; V57-R224 HydrophobicContact CG2-CG 4.01Å
58T81.6Confident78.5Confident69 Ų6964.1 Ų64.142%0.42337%0.367SS..  trans-70.4158.1178.964.10000110.4A56 D60 I61 I62A56-T58 PolarHBondContact O-N 3.2Å; T58-D60 PolarHBondContact O-N 3.15Å; T58-I61 PolarHBondContact O-N 2.99Å; T58-I61 VanDerWaalsContact O-N 3.15Å; T58-I61 WeakPolarHBondContact OG1-CD1 3.41Å; T58-I61 WeakPolarHBondContact OG1-CG1 3.49Å; T58-I61 PolarHBondContact OG1-N 3.19Å; T58-I62 WeakPolarHBondContact O-CG1 3.34Å; T58-I62 PolarHBondContact O-N 3.14Å; T58-I62 VanDerWaalsContact O-N 3.1Å
59A83.3Confident78.8Confident62 Ų6259 Ų5951%0.51235%0.345SS..Hα-helixtrans-55.5-35.1177.400000112.3I62 C63A59-I62 PolarHBondContact O-N 3.27Å; A59-C63 WeakPolarHBondContact O-CB 3.36Å; A59-C63 PolarHBondContact O-N 3.14Å; A59-C63 PolarHBondContact O-SG 3.49Å
60D85Confident79.3Confident130 Ų13057.4 Ų57.470%0.69534%0.338SS*.Hα-helixtrans-67.4-42.3179.1-60.1-34.1000112.2T58 I62 C63 F64T58-D60 PolarHBondContact O-N 3.15Å; D60-I62 VanDerWaalsContact C-N 3.31Å; D60-I62 PolarHBondContact O-N 3.39Å; D60-C63 PolarHBondContact O-N 3.42Å; D60-F64 WeakPolarHBondContact O-CB 3.32Å; D60-F64 PolarHBondContact O-N 3.41Å
61I85.9Confident80.3Confident52 Ų5253.8 Ų53.827%0.26731%0.313SS..Hα-helixtrans-62.5-41.4175-67168.6000110.3V57 T58 F64 A65 H227V57-I61 HydrophobicContact CG1-CB 4.07Å; V57-I61 HydrophobicContact CG1-CG2 3.73Å; T58-I61 PolarHBondContact O-N 2.99Å; T58-I61 VanDerWaalsContact O-N 3.15Å; T58-I61 WeakPolarHBondContact OG1-CD1 3.41Å; T58-I61 WeakPolarHBondContact OG1-CG1 3.49Å; T58-I61 PolarHBondContact OG1-N 3.19Å; I61-F64 PolarHBondContact O-N 3.01Å; I61-A65 VanDerWaalsContact O-CB 3.24Å; I61-A65 WeakPolarHBondContact O-CB 3.2Å; I61-A65 PolarHBondContact O-N 3.4Å; I61-H227 HydrophobicContact CG2-CB 4.33Å; I61-H227 WeakPolarHBondContact CG2-ND1 3.28Å
62I86.7Confident81.5Confident27 Ų2750.6 Ų50.614%0.13829%0.29CS..Hα-helixtrans-62.3-48.5177.2-61.9174.6000110.7V57 T58 A59 D60 A65 F66 P223V57-I62 HydrophobicContact CB-CG1 4.39Å; V57-I62 HydrophobicContact CG1-CD1 4.21Å; V57-I62 HydrophobicContact CG1-CG1 3.5Å; V57-I62 VanDerWaalsContact CG1-CG1 3.5Å; T58-I62 WeakPolarHBondContact O-CG1 3.34Å; T58-I62 PolarHBondContact O-N 3.14Å; T58-I62 VanDerWaalsContact O-N 3.1Å; A59-I62 PolarHBondContact O-N 3.27Å; D60-I62 VanDerWaalsContact C-N 3.31Å; D60-I62 PolarHBondContact O-N 3.39Å; I62-A65 PolarHBondContact O-N 2.78Å; I62-F66 HydrophobicContact CG2-CD2 3.68Å; I62-F66 HydrophobicContact CG2-CE1 4.3Å; I62-F66 HydrophobicContact CG2-CE2 3.26Å; I62-F66 HydrophobicContact CG2-CG 4.36Å; I62-F66 HydrophobicContact CG2-CZ 3.62Å; I62-F66 WeakPolarHBondContact O-CB 3.41Å; I62-F66 WeakPolarHBondContact O-CG 3.32Å; I62-F66 PolarHBondContact O-N 3.05Å; I62-P223 HydrophobicContact CB-CB 4.39Å; I62-P223 HydrophobicContact CD1-CB 4.31Å; I62-P223 HydrophobicContact CD1-CG 4.26Å; I62-P223 HydrophobicContact CG1-CB 3.79Å; I62-P223 HydrophobicContact CG1-CG 4.29Å; I62-P223 HydrophobicContact CG2-CB 4.06Å
63C88.8Confident83.4Confident28 Ų2849.7 Ų49.719%0.18928%0.284CS..Hα-helixtrans-60.7-46.6179.4-720000111.3A59 D60 F66 Q67 H114A59-C63 WeakPolarHBondContact O-CB 3.36Å; A59-C63 PolarHBondContact O-N 3.14Å; A59-C63 PolarHBondContact O-SG 3.49Å; D60-C63 PolarHBondContact O-N 3.42Å; C63-F66 PolarHBondContact O-N 3.19Å; C63-Q67 WeakPolarHBondContact O-CG 3.47Å; C63-Q67 PolarHBondContact O-N 2.91Å; C63-H114 PolarHBondContact SG-O 2.96Å
64F89.3Confident85.5Confident116 Ų11647.9 Ų47.951%0.50927%0.27SS..Hα-helixtrans-59.8-48.2176.8178.7-103.7000111.5D60 I61 F66 Q67 L68D60-F64 WeakPolarHBondContact O-CB 3.32Å; D60-F64 PolarHBondContact O-N 3.41Å; I61-F64 PolarHBondContact O-N 3.01Å; F64-F66 PolarHBondContact O-N 3.45Å; F64-Q67 PolarHBondContact O-N 2.84Å; F64-L68 HydrophobicContact CD1-CD1 4.29Å; F64-L68 HydrophobicContact CE1-CD1 3.67Å; F64-L68 HydrophobicContact CZ-CD1 3.81Å; F64-L68 PolarHBondContact O-N 3.22Å
65A89.7Confident87.7Confident1 Ų141.7 Ų41.71%0.00824%0.237CC..Hα-helixtrans-57-51.5176.900000110.9I61 I62 Q67 L68 M226 I230I61-A65 VanDerWaalsContact O-CB 3.24Å; I61-A65 WeakPolarHBondContact O-CB 3.2Å; I61-A65 PolarHBondContact O-N 3.4Å; I62-A65 PolarHBondContact O-N 2.78Å; A65-Q67 VanDerWaalsContact C-N 3.27Å; A65-Q67 PolarHBondContact O-N 3.46Å; A65-L68 PolarHBondContact O-N 3.42Å; A65-M226 VanDerWaalsContact C-CE 3.45Å; A65-M226 VanDerWaalsContact C-SD 3.57Å; A65-M226 HydrophobicContact CB-CE 4.05Å; A65-M226 HydrophobicContact CB-CG 3.92Å; A65-M226 HydrophobicContact CB-SD 3.67Å; A65-M226 WeakPolarHBondContact O-CE 3.03Å; A65-M226 VanDerWaalsContact O-SD 3.39Å; A65-I230 HydrophobicContact CB-CD1 4.19Å
66F91.9Very high89.3Confident2 Ų237 Ų371%0.00922%0.219CC..Hα-helixtrans-62.5-29.8-179.5-69.6-14000114.4I62 C63 F64 L68 L69 L110 H114 V116 I118 M221 P223 M226I62-F66 HydrophobicContact CG2-CD2 3.68Å; I62-F66 HydrophobicContact CG2-CE1 4.3Å; I62-F66 HydrophobicContact CG2-CE2 3.26Å; I62-F66 HydrophobicContact CG2-CG 4.36Å; I62-F66 HydrophobicContact CG2-CZ 3.62Å; I62-F66 WeakPolarHBondContact O-CB 3.41Å; I62-F66 WeakPolarHBondContact O-CG 3.32Å; I62-F66 PolarHBondContact O-N 3.05Å; C63-F66 PolarHBondContact O-N 3.19Å; F64-F66 PolarHBondContact O-N 3.45Å; F66-L68 VanDerWaalsContact C-N 3.28Å; F66-L68 PolarHBondContact O-N 3.33Å; F66-L69 PolarHBondContact O-N 3.28Å; F66-L110 HydrophobicContact CE2-CD2 4.1Å; F66-L110 HydrophobicContact CZ-CD2 4.43Å; F66-H114 HydrophobicContact CD2-CB 4.33Å; F66-H114 AromaticContact CE2-CD2 3.72Å; F66-H114 AromaticContact CE2-NE2 3.98Å; F66-V116 HydrophobicContact CB-CB 4.46Å; F66-V116 HydrophobicContact CB-CG1 4.27Å; F66-V116 HydrophobicContact CB-CG2 4.05Å; F66-V116 HydrophobicContact CD2-CG2 4.44Å; F66-I118 HydrophobicContact CB-CD1 3.88Å; F66-I118 HydrophobicContact CB-CG1 4.09Å; F66-I118 HydrophobicContact CD1-CD1 4.43Å; F66-I118 HydrophobicContact CD2-CD1 4.12Å; F66-I118 HydrophobicContact CG-CD1 3.9Å; F66-M221 HydrophobicContact CD1-CE 4.14Å; F66-M221 HydrophobicContact CE1-CB 4.38Å; F66-M221 HydrophobicContact CE1-CE 3.8Å; F66-M221 HydrophobicContact CZ-CB 4.45Å; F66-P223 HydrophobicContact CE1-CB 4.28Å; F66-P223 HydrophobicContact CZ-CB 4.23Å; F66-M226 HydrophobicContact CD1-SD 4.42Å
67Q93.1Very high90.6Very high103 Ų10334.5 Ų34.548%0.48120%0.203SC..Hα-helixtrans-63.8-33.7174.3-75.4174.9-2.300112.5C63 F64 A65 L69 V116 K206C63-Q67 WeakPolarHBondContact O-CG 3.47Å; C63-Q67 PolarHBondContact O-N 2.91Å; F64-Q67 PolarHBondContact O-N 2.84Å; A65-Q67 VanDerWaalsContact C-N 3.27Å; A65-Q67 PolarHBondContact O-N 3.46Å; Q67-L69 VanDerWaalsContact C-N 3.31Å; Q67-L69 PolarHBondContact O-N 2.92Å; Q67-V116 HydrophobicContact CG-CB 4.48Å; Q67-V116 HydrophobicContact CG-CG1 3.84Å; Q67-K206 WeakPolarHBondContact O-CD 3.27Å; Q67-K206 WeakPolarHBondContact O-CE 3.46Å; Q67-K206 PolarHBondContact O-NZ 3.34Å
68L94.2Very high91.3Very high18 Ų1835.5 Ų35.59%0.09421%0.207CC..Hα-helixtrans-80.9-8-179.7-59.8178.8000113.8F64 A65 F66 K206 E207 Y208 M226 I230F64-L68 HydrophobicContact CD1-CD1 4.29Å; F64-L68 HydrophobicContact CE1-CD1 3.67Å; F64-L68 HydrophobicContact CZ-CD1 3.81Å; F64-L68 PolarHBondContact O-N 3.22Å; A65-L68 PolarHBondContact O-N 3.42Å; F66-L68 VanDerWaalsContact C-N 3.28Å; F66-L68 PolarHBondContact O-N 3.33Å; L68-K206 CarbonylContact O-C 3.15Å; L68-K206 WeakPolarHBondContact O-CA 3.48Å; L68-E207 HydrophobicContact CB-CB 4.38Å; L68-E207 HydrophobicContact CD2-CG 4.26Å; L68-E207 PolarHBondContact O-N 3.06Å; L68-Y208 HydrophobicContact CB-CD2 4.34Å; L68-Y208 PolarHBondContact O-N 3.26Å; L68-Y208 VanDerWaalsContact O-N 3.1Å; L68-M226 HydrophobicContact CB-CE 4.22Å; L68-I230 HydrophobicContact CD1-CD1 4.37Å
69L95.1Very high91.5Very high0 Ų032.2 Ų32.20%019%0.187CC..EExtended strand (participates in β ladder)trans-99.7149.6-170.1-161.874.2000113.9F66 Q67 V71 K206 Y208 F210 M221 M226 W291F66-L69 PolarHBondContact O-N 3.28Å; Q67-L69 VanDerWaalsContact C-N 3.31Å; Q67-L69 PolarHBondContact O-N 2.92Å; L69-V71 HydrophobicContact CD2-CG2 4.17Å; L69-K206 PolarHBondContact O-NZ 3.16Å; L69-Y208 CarbonylContact C-O 3.52Å; L69-Y208 WeakPolarHBondContact CA-O 3.44Å; L69-F210 HydrophobicContact CD1-CB 4.37Å; L69-F210 HydrophobicContact CD2-CB 4.26Å; L69-M221 HydrophobicContact CD2-CE 2.97Å; L69-M221 HydrophobicContact CD2-SD 3.49Å; L69-M221 WeakPolarHBondContact CD2-SD 3.32Å; L69-M221 HydrophobicContact CG-CE 4.45Å; L69-M226 HydrophobicContact CB-CE 3.84Å; L69-M226 HydrophobicContact CB-SD 4.03Å; L69-M226 HydrophobicContact CD1-CE 3.86Å; L69-M226 HydrophobicContact CD1-SD 3.95Å; L69-M226 HydrophobicContact CD2-SD 4.06Å; L69-M226 HydrophobicContact CG-CE 4.34Å; L69-M226 HydrophobicContact CG-SD 4.24Å; L69-W291 HydrophobicContact CD1-CE3 4.32Å; L69-W291 HydrophobicContact CD1-CZ3 4.26Å; L69-W291 HydrophobicContact CD2-CZ3 4.19Å
70V97Very high91.6Very high0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-119.4142.6157.4-52.80000111.4V72 P119 I121 F201 K206 Y208 C209 F210 L294V70-V72 HydrophobicContact CG2-CG2 4.49Å; V70-P119 HydrophobicContact CB-CG 3.94Å; V70-P119 HydrophobicContact CG1-CG 3.57Å; V70-I121 HydrophobicContact CB-CD1 3.83Å; V70-I121 HydrophobicContact CG2-CD1 3.77Å; V70-F201 HydrophobicContact CG1-CB 4.11Å; V70-F201 HydrophobicContact CG1-CD1 3.7Å; V70-F201 HydrophobicContact CG1-CD2 4.28Å; V70-F201 HydrophobicContact CG1-CE1 4.17Å; V70-F201 HydrophobicContact CG1-CG 3.77Å; V70-K206 HydrophobicContact CG1-CB 3.84Å; V70-K206 HydrophobicContact CG1-CD 4.1Å; V70-K206 HydrophobicContact CG1-CG 3.63Å; V70-Y208 PolarHBondContact N-O 3Å; V70-C209 HydrophobicContact CG2-CB 3.45Å; V70-C209 VanDerWaalsContact CG2-CB 3.45Å; V70-C209 CarbonylContact O-C 3.43Å; V70-C209 VanDerWaalsContact O-CA 3.24Å; V70-C209 WeakPolarHBondContact O-CA 3.34Å; V70-F210 PolarHBondContact O-N 3.01Å; V70-L294 HydrophobicContact CG2-CD1 4.36Å; V70-L294 HydrophobicContact CG2-CD2 4.37Å
71V97.7Very high91.5Very high3 Ų331 Ų312%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-102125.8177.7174.70000109.6L69 L107 I118 P119 L120 I121 F210 M221L69-V71 HydrophobicContact CD2-CG2 4.17Å; V71-L107 HydrophobicContact CB-CD1 4.42Å; V71-L107 HydrophobicContact CB-CD2 4.43Å; V71-L107 HydrophobicContact CG1-CD1 4.48Å; V71-L107 HydrophobicContact CG2-CD2 3.99Å; V71-I118 HydrophobicContact CB-CG2 4.45Å; V71-I118 HydrophobicContact CG2-CG2 3.68Å; V71-P119 PolarHBondContact N-O 2.97Å; V71-L120 HydrophobicContact CG1-CD1 4.1Å; V71-L120 CarbonylContact O-C 3.51Å; V71-L120 WeakPolarHBondContact O-CA 3.35Å; V71-I121 PolarHBondContact O-N 2.91Å; V71-F210 HydrophobicContact CG1-CD1 4.36Å; V71-M221 HydrophobicContact CG2-CG 4.37Å; V71-M221 HydrophobicContact CG2-SD 3.52Å; V71-M221 VanDerWaalsContact CG2-SD 3.52Å
72V98.1Very high91.6Very high0 Ų028.6 Ų28.60%017%0.169CC..EExtended strand (participates in β ladder)trans-114.2127.2178.8-176.60000109.4V70 I121 F188 C209 F210 V211 S212V70-V72 HydrophobicContact CG2-CG2 4.49Å; V72-I121 CarbonylContact C-O 3.6Å; V72-I121 VanDerWaalsContact CA-O 3.3Å; V72-I121 WeakPolarHBondContact CA-O 3.49Å; V72-I121 HydrophobicContact CG2-CB 4.18Å; V72-I121 HydrophobicContact CG2-CD1 3.98Å; V72-F188 HydrophobicContact CB-CE2 4.4Å; V72-F188 HydrophobicContact CG1-CD2 4.22Å; V72-F188 HydrophobicContact CG1-CE2 3.67Å; V72-F188 HydrophobicContact CG1-CZ 4.4Å; V72-F188 HydrophobicContact CG2-CE2 4.12Å; V72-F188 HydrophobicContact CG2-CZ 4.2Å; V72-C209 HydrophobicContact CG2-CB 4.21Å; V72-F210 PolarHBondContact N-O 2.84Å; V72-V211 HydrophobicContact CB-CB 4.46Å; V72-V211 HydrophobicContact CB-CG2 3.93Å; V72-V211 HydrophobicContact CG1-CG1 4.47Å; V72-V211 HydrophobicContact CG1-CG2 4.34Å; V72-V211 HydrophobicContact CG2-CG2 4.28Å; V72-V211 WeakPolarHBondContact O-CA 3.47Å; V72-S212 PolarHBondContact O-N 2.85Å
73K98Very high91.6Very high4 Ų429.4 Ų29.42%0.01718%0.183CC..EExtended strand (participates in β ladder)trans-111.8126.5172.2-63.3-67.2-173.1176.50110.9N75 T103 L120 I121 L122 M123 S212 I214 A219K73-N75 PolarHBondContact O-N 2.96Å; K73-T103 HydrophobicContact CD-CG2 4.44Å; K73-T103 HydrophobicContact CG-CG2 4.05Å; K73-L120 HydrophobicContact CB-CD1 4.49Å; K73-L120 HydrophobicContact CG-CD1 3.81Å; K73-I121 PolarHBondContact N-O 3.46Å; K73-L122 HydrophobicContact CB-CD2 3.9Å; K73-M123 PolarHBondContact O-N 3.23Å; K73-S212 WeakPolarHBondContact CA-O 3.39Å; K73-S212 WeakPolarHBondContact CD-OG 3.17Å; K73-S212 WeakPolarHBondContact CE-OG 2.87Å; K73-S212 PolarHBondContact NZ-OG 3.38Å; K73-I214 HydrophobicContact CB-CB 4.26Å; K73-I214 HydrophobicContact CB-CD1 3.9Å; K73-I214 HydrophobicContact CD-CD1 4.24Å; K73-I214 HydrophobicContact CG-CD1 3.87Å; K73-A219 PolarHBondContact NZ-O 3.19Å
74L97.4Very high91.4Very high18 Ų1829.7 Ų29.79%0.09419%0.185CC..EExtended strand (participates in β ladder)trans-72.3108.2174.1-57.2176.1000108.8M123 H185 V211 S212 N213 I214L74-M123 HydrophobicContact CD2-CB 4.35Å; L74-M123 HydrophobicContact CD2-SD 3.5Å; L74-M123 WeakPolarHBondContact CD2-SD 3.29Å; L74-H185 HydrophobicContact CD1-CB 3.82Å; L74-H185 HydrophobicContact CD2-CB 4.34Å; L74-V211 HydrophobicContact CD1-CG1 4.06Å; L74-V211 HydrophobicContact CD2-CG1 3.83Å; L74-V211 HydrophobicContact CG-CG1 3.84Å; L74-S212 PolarHBondContact N-O 3.35Å; L74-N213 WeakPolarHBondContact CD1-OD1 3.42Å; L74-I214 WeakPolarHBondContact O-CG2 3Å; L74-I214 PolarHBondContact O-N 3.01Å
75N96.5Very high91.2Very high1 Ų133.8 Ų33.81%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-121.922.5-173.4-169.843.2000112.4K73 G77 S89 L122 M123 N124 T128 T132K73-N75 PolarHBondContact O-N 2.96Å; N75-G77 VanDerWaalsContact C-N 3.32Å; N75-S89 WeakPolarHBondContact OD1-CB 3.22Å; N75-S89 PolarHBondContact OD1-OG 3.47Å; N75-L122 HydrophobicContact CB-CB 4.41Å; N75-M123 CarbonylContact C-O 3.59Å; N75-M123 VanDerWaalsContact CA-O 3.26Å; N75-M123 WeakPolarHBondContact CA-O 3.41Å; N75-M123 WeakPolarHBondContact CB-O 3.2Å; N75-M123 PolarHBondContact N-O 2.9Å; N75-N124 PolarHBondContact ND2-OD1 3.14Å; N75-T128 WeakPolarHBondContact O-CB 3.45Å; N75-T128 PolarHBondContact O-OG1 3.07Å; N75-T132 WeakPolarHBondContact ND2-CG2 3.39Å; N75-T132 PolarHBondContact ND2-OG1 3Å
76G91.4Very high91.1Very high16 Ų1634.7 Ų34.717%0.16521%0.213CC..  trans-75.3-19.217900000114.5M123 S125G76-M123 PolarHBondContact N-O 3.29Å; G76-M123 VanDerWaalsContact N-O 3.15Å; G76-S125 PolarHBondContact O-OG 3.02Å; G76-S125 VanDerWaalsContact O-OG 3.05Å
77G88.4Confident91.1Very high43 Ų4334.7 Ų34.744%0.44321%0.213SC..  trans-82.7140.7-171.800000114.7N75 K88N75-G77 VanDerWaalsContact C-N 3.32Å; G77-K88 PolarHBondContact O-N 2.96Å
78L88.6Confident91.1Very high52 Ų5230.6 Ų30.627%0.27219%0.193SC..BIsolated β-bridgetrans-88.2155.5170.3-66.4172.9000111.5T80 N127 T128L78-T80 HydrophobicContact CB-CG2 3.89Å; L78-T80 HydrophobicContact CD1-CG2 4.24Å; L78-T80 PolarHBondContact O-N 2.69Å; L78-N127 HydrophobicContact CD1-CB 3.99Å; L78-N127 HydrophobicContact CD2-CB 4Å; L78-N127 HydrophobicContact CG-CB 4.06Å; L78-T128 HydrophobicContact CD2-CG2 3.88Å
79G85.9Confident91.1Very high0 Ų029.8 Ų29.80%019%0.189CC..SBendtrans-78.72217400000115.1S81 M82 G83 C84 G86G79-S81 VanDerWaalsContact C-N 3.31Å; G79-S81 PolarHBondContact O-N 3.19Å; G79-M82 CarbonylContact O-C 3.54Å; G79-M82 WeakPolarHBondContact O-CA 3.47Å; G79-M82 PolarHBondContact O-N 3.44Å; G79-G83 PolarHBondContact O-N 3.42Å; G79-C84 CarbonylContact C-O 3.49Å; G79-C84 PolarHBondContact O-N 3.41Å; G79-G86 PolarHBondContact N-O 3.49Å
80T85.4Confident91Very high97 Ų9732.4 Ų32.460%0.59520%0.203SC*.G310 helixtrans-62.6-35.2-170.3490000113.1L78 M82 G83 C84L78-T80 HydrophobicContact CB-CG2 3.89Å; L78-T80 HydrophobicContact CD1-CG2 4.24Å; L78-T80 PolarHBondContact O-N 2.69Å; T80-M82 PolarHBondContact O-N 3.03Å; T80-M82 VanDerWaalsContact O-N 3.11Å; T80-G83 PolarHBondContact O-N 3.29Å; T80-C84 PolarHBondContact N-O 3.26Å
81S83.1Confident90.8Very high71 Ų7132.9 Ų32.950%0.49721%0.205SC..G310 helixtrans-60.5-20174.563.40000113.5G79 K354G79-S81 VanDerWaalsContact C-N 3.31Å; G79-S81 PolarHBondContact O-N 3.19Å; S81-K354 PolarHBondContact OG-O 2.8Å
82M87.2Confident90.6Very high1 Ų134.5 Ų34.51%0.00522%0.219CC..G310 helixtrans-11212.4179.5-75.6-170.1-69.400112.2G79 T80 C84 K88 I91 T356 L359 D395 R396 V397G79-M82 CarbonylContact O-C 3.54Å; G79-M82 WeakPolarHBondContact O-CA 3.47Å; G79-M82 PolarHBondContact O-N 3.44Å; T80-M82 PolarHBondContact O-N 3.03Å; T80-M82 VanDerWaalsContact O-N 3.11Å; M82-C84 VanDerWaalsContact C-N 3.27Å; M82-C84 PolarHBondContact O-N 2.95Å; M82-K88 HydrophobicContact CE-CD 4.34Å; M82-K88 HydrophobicContact CE-CG 4.2Å; M82-I91 HydrophobicContact CE-CD1 3.41Å; M82-I91 VanDerWaalsContact CE-CD1 3.41Å; M82-T356 HydrophobicContact CG-CG2 4.43Å; M82-L359 HydrophobicContact CE-CD1 4.32Å; M82-L359 HydrophobicContact SD-CD1 3.24Å; M82-L359 WeakPolarHBondContact SD-CD1 3.28Å; M82-D395 WeakPolarHBondContact CA-O 3.11Å; M82-R396 WeakPolarHBondContact O-CA 3.49Å; M82-V397 HydrophobicContact CB-CG2 3.76Å; M82-V397 HydrophobicContact CG-CG2 4.39Å; M82-V397 PolarHBondContact O-N 3.06Å; M82-V397 HydrophobicContact SD-CG2 4.29Å
83G86.5Confident90.2Very high43 Ų4334.5 Ų34.544%0.44322%0.219SC..THydrogen-bonded Turntrans749.7179.600000115.3G79 T80G79-G83 PolarHBondContact O-N 3.42Å; T80-G83 PolarHBondContact O-N 3.29Å
84C85.9Confident89.7Confident34 Ų3435.5 Ų35.523%0.2322%0.223CC..  trans-91.8135.2177.7-630000110.6G79 T80 M82 I91G79-C84 CarbonylContact C-O 3.49Å; G79-C84 PolarHBondContact O-N 3.41Å; T80-C84 PolarHBondContact N-O 3.26Å; M82-C84 VanDerWaalsContact C-N 3.27Å; M82-C84 PolarHBondContact O-N 2.95Å; C84-I91 HydrophobicContact CB-CD1 4.01Å; C84-I91 HydrophobicContact CB-CG1 4.17Å
85K84.1Confident89.2Confident202 Ų20241.5 Ų41.588%0.87825%0.25SS*.SBendtrans-81.2-20.9-180-68.7-175.8178-179.10114.1
86G88.4Confident88.8Confident21 Ų2148.5 Ų48.522%0.21629%0.287CS..SBendtrans-93.7-174.9-175.400000114.6G79 K88G79-G86 PolarHBondContact N-O 3.49Å; G86-K88 PolarHBondContact O-N 3.44Å
87P91.9Very high88.9Confident2 Ų249.4 Ų49.41%0.01329%0.288CS..BIsolated β-bridgetrans-53.5137.8172-19.327.6000110.9S89 L90 T128 D131P87-S89 WeakPolarHBondContact CB-OG 3.27Å; P87-S89 PolarHBondContact O-N 3.47Å; P87-L90 HydrophobicContact CB-CD1 4.48Å; P87-L90 HydrophobicContact CB-CG 4.28Å; P87-L90 HydrophobicContact CG-CD1 4.02Å; P87-L90 HydrophobicContact CG-CG 4.35Å; P87-L90 PolarHBondContact O-N 3.35Å; P87-L90 VanDerWaalsContact O-N 3.13Å; P87-T128 HydrophobicContact CB-CG2 3.81Å; P87-T128 HydrophobicContact CG-CG2 3.96Å; P87-D131 VanDerWaalsContact CD-CB 3.49Å; P87-D131 HydrophobicContact CG-CB 3.55Å
88K92.4Very high89.3Confident16 Ų1648.1 Ų48.17%0.0727%0.272CS..G310 helixtrans-59.7-30.1178-171.1171-179.3174.10112.5G77 M82 G86 L90 I91 F99 D215 V353G77-K88 PolarHBondContact O-N 2.96Å; M82-K88 HydrophobicContact CE-CD 4.34Å; M82-K88 HydrophobicContact CE-CG 4.2Å; G86-K88 PolarHBondContact O-N 3.44Å; K88-L90 PolarHBondContact O-N 2.95Å; K88-I91 HydrophobicContact CG-CD1 4.12Å; K88-I91 WeakPolarHBondContact O-CB 3.47Å; K88-I91 WeakPolarHBondContact O-CG1 3.25Å; K88-I91 PolarHBondContact O-N 3.05Å; K88-F99 VanDerWaalsContact O-CD2 3.24Å; K88-F99 WeakPolarHBondContact O-CD2 3.39Å; K88-D215 HydrophobicContact CD-CB 3.9Å; K88-D215 VanDerWaalsContact CE-CB 3.5Å; K88-D215 VanDerWaalsContact CE-OD2 3.23Å; K88-D215 WeakPolarHBondContact CE-OD2 3.42Å; K88-D215 HydrophobicContact CG-CB 4.43Å; K88-D215 IonicContact NZ-OD2 2.64Å; K88-D215 PolarHBondContact NZ-OD2 2.76Å; K88-V353 WeakPolarHBondContact CE-O 3.38Å; K88-V353 PolarHBondContact NZ-O 3.29Å
89S93.1Very high89.6Confident1 Ų145.7 Ų45.71%0.00726%0.259CS..G310 helixtrans-61.3-23.117852.50000115N75 P87 T98 F99 L100N75-S89 WeakPolarHBondContact OD1-CB 3.22Å; N75-S89 PolarHBondContact OD1-OG 3.47Å; P87-S89 WeakPolarHBondContact CB-OG 3.27Å; P87-S89 PolarHBondContact O-N 3.47Å; S89-T98 WeakPolarHBondContact O-CB 3.25Å; S89-F99 PolarHBondContact O-N 2.87Å; S89-L100 PolarHBondContact O-N 3.42Å; S89-L100 VanDerWaalsContact O-N 3.14Å
90L94.1Very high90.1Very high56 Ų5645.7 Ų45.729%0.29326%0.259SS..G310 helixtrans-93.74.3-178.4-58.4-176.3000113.2P87 K88 T98 L100 D131 A135P87-L90 HydrophobicContact CB-CD1 4.48Å; P87-L90 HydrophobicContact CB-CG 4.28Å; P87-L90 HydrophobicContact CG-CD1 4.02Å; P87-L90 HydrophobicContact CG-CG 4.35Å; P87-L90 PolarHBondContact O-N 3.35Å; P87-L90 VanDerWaalsContact O-N 3.13Å; K88-L90 PolarHBondContact O-N 2.95Å; L90-T98 VanDerWaalsContact O-CG2 3.29Å; L90-T98 WeakPolarHBondContact O-CG2 3.41Å; L90-L100 HydrophobicContact CD2-CD2 4.17Å; L90-D131 HydrophobicContact CD1-CB 4.36Å; L90-A135 HydrophobicContact CD1-CB 4.01Å; L90-A135 HydrophobicContact CD2-CB 3.54Å; L90-A135 HydrophobicContact CG-CB 4.45Å
91I92.5Very high90.6Very high10 Ų1041.5 Ų41.55%0.05123%0.233CC..SBendtrans-75129.8173.9-62.7175.8000108.3M82 C84 K88 V93 T98 F99 L359 V397M82-I91 HydrophobicContact CE-CD1 3.41Å; M82-I91 VanDerWaalsContact CE-CD1 3.41Å; C84-I91 HydrophobicContact CB-CD1 4.01Å; C84-I91 HydrophobicContact CB-CG1 4.17Å; K88-I91 HydrophobicContact CG-CD1 4.12Å; K88-I91 WeakPolarHBondContact O-CB 3.47Å; K88-I91 WeakPolarHBondContact O-CG1 3.25Å; K88-I91 PolarHBondContact O-N 3.05Å; I91-V93 PolarHBondContact O-N 3.14Å; I91-T98 VanDerWaalsContact O-CA 3.29Å; I91-T98 WeakPolarHBondContact O-CA 3.28Å; I91-F99 HydrophobicContact CB-CD2 4.35Å; I91-F99 HydrophobicContact CB-CE2 4.02Å; I91-F99 HydrophobicContact CG2-CE2 4.39Å; I91-L359 HydrophobicContact CG2-CD2 4.29Å; I91-V397 HydrophobicContact CG2-CG2 4.48Å
92A92.6Very high91.2Very high37 Ų3738.1 Ų38.131%0.30621%0.21SC..EExtended strand (participates in β ladder)trans-65.7127.7174.300000110.3
93V90.8Very high91.6Very high0 Ų038.4 Ų38.40%021%0.211CC..EExtended strand (participates in β ladder)trans-106.6-46.2-177.1179.80000110.5I91 L97 F99 L102 L217 V362 M363I91-V93 PolarHBondContact O-N 3.14Å; V93-L97 PolarHBondContact N-O 3.3Å; V93-F99 HydrophobicContact CG2-CD1 3.7Å; V93-F99 HydrophobicContact CG2-CD2 3.5Å; V93-F99 VanDerWaalsContact CG2-CD2 3.5Å; V93-F99 HydrophobicContact CG2-CE1 3.58Å; V93-F99 HydrophobicContact CG2-CE2 3.39Å; V93-F99 HydrophobicContact CG2-CG 3.64Å; V93-F99 HydrophobicContact CG2-CZ 3.42Å; V93-F99 VanDerWaalsContact CG2-CZ 3.42Å; V93-L102 HydrophobicContact CB-CD1 4.09Å; V93-L102 HydrophobicContact CG1-CD1 4.14Å; V93-L217 HydrophobicContact CG1-CD1 3.62Å; V93-V362 HydrophobicContact CG1-CB 4.38Å; V93-V362 HydrophobicContact CG1-CG2 3.82Å; V93-M363 WeakPolarHBondContact O-CE 3.27Å; V93-M363 WeakPolarHBondContact O-CG 2.96Å
94R87.9Confident92Very high25 Ų2536.6 Ų36.69%0.09419%0.191CC..EExtended strand (participates in β ladder)trans-154.8130.2-174.5-172.2163.5-177.8153.5-3.7111.4D96 L97 V362 Y367 L369R94-D96 PolarHBondContact O-N 2.84Å; R94-L97 PolarHBondContact N-O 3.44Å; R94-L97 WeakPolarHBondContact O-CA 3.21Å; R94-L97 WeakPolarHBondContact O-CB 3.39Å; R94-L97 WeakPolarHBondContact O-CG 3.48Å; R94-L97 PolarHBondContact O-N 2.85Å; R94-V362 PolarHBondContact NH1-O 3.21Å; R94-Y367 PolarHBondContact NH1-O 3.31Å; R94-Y367 PolarHBondContact NH2-O 3.05Å; R94-L369 HydrophobicContact CG-CD2 4.33Å
95H86.7Confident92.5Very high144 Ų14437.9 Ų37.967%0.66719%0.194SC*.THydrogen-bonded Turntrans47.846.1-178.9-49.8145.7000112.8L97H95-L97 PolarHBondContact O-N 3.5Å
96D88.6Confident93Very high147 Ų14729 Ų2979%0.78616%0.156SC*.THydrogen-bonded Turntrans62.11.3-174.7-54.9-44.1000116.3R94R94-D96 PolarHBondContact O-N 2.84Å
97L93.7Very high93.3Very high35 Ų3528.2 Ų28.218%0.18315%0.147CC..EExtended strand (participates in β ladder)trans-76.2129.9173-56.3174.3000110.2V93 R94 H95 D101 L102 L369V93-L97 PolarHBondContact N-O 3.3Å; R94-L97 PolarHBondContact N-O 3.44Å; R94-L97 WeakPolarHBondContact O-CA 3.21Å; R94-L97 WeakPolarHBondContact O-CB 3.39Å; R94-L97 WeakPolarHBondContact O-CG 3.48Å; R94-L97 PolarHBondContact O-N 2.85Å; H95-L97 PolarHBondContact O-N 3.5Å; L97-D101 HydrophobicContact CB-CB 4.04Å; L97-D101 HydrophobicContact CD2-CB 4.06Å; L97-L102 HydrophobicContact CB-CD2 4.15Å; L97-L102 HydrophobicContact CB-CG 4.34Å; L97-L102 HydrophobicContact CD1-CD2 4Å; L97-L369 HydrophobicContact CD1-CD2 3.83Å
98T95.3Very high93.4Very high17 Ų1731 Ų3110%0.10416%0.159CC..EExtended strand (participates in β ladder)trans-82.3168.5175.567.60000111.8S89 L90 I91 L100 D101 L102S89-T98 WeakPolarHBondContact O-CB 3.25Å; L90-T98 VanDerWaalsContact O-CG2 3.29Å; L90-T98 WeakPolarHBondContact O-CG2 3.41Å; I91-T98 VanDerWaalsContact O-CA 3.29Å; I91-T98 WeakPolarHBondContact O-CA 3.28Å; T98-L100 PolarHBondContact O-N 3Å; T98-L100 PolarHBondContact OG1-N 2.67Å; T98-D101 WeakPolarHBondContact CB-OD2 3.27Å; T98-D101 WeakPolarHBondContact CG2-OD2 3.26Å; T98-D101 PolarHBondContact N-OD2 3.25Å; T98-D101 WeakPolarHBondContact O-CB 3.41Å; T98-D101 PolarHBondContact O-N 2.81Å; T98-D101 VanDerWaalsContact O-N 3.13Å; T98-D101 VanDerWaalsContact OG1-CG 3.3Å; T98-D101 PolarHBondContact OG1-N 3.17Å; T98-D101 VanDerWaalsContact OG1-N 3.15Å; T98-D101 PolarHBondContact OG1-OD2 3.47Å; T98-L102 WeakPolarHBondContact O-CG 3.28Å; T98-L102 PolarHBondContact O-N 2.86Å
99F95.8Very high93.6Very high0 Ų034.1 Ų34.10%017%0.171CC..Hα-helixtrans-55.7-37.1172.2-65.1-87.1000112.4K88 S89 I91 V93 T103 I214 D215 L217 V353K88-F99 VanDerWaalsContact O-CD2 3.24Å; K88-F99 WeakPolarHBondContact O-CD2 3.39Å; S89-F99 PolarHBondContact O-N 2.87Å; I91-F99 HydrophobicContact CB-CD2 4.35Å; I91-F99 HydrophobicContact CB-CE2 4.02Å; I91-F99 HydrophobicContact CG2-CE2 4.39Å; V93-F99 HydrophobicContact CG2-CD1 3.7Å; V93-F99 HydrophobicContact CG2-CD2 3.5Å; V93-F99 VanDerWaalsContact CG2-CD2 3.5Å; V93-F99 HydrophobicContact CG2-CE1 3.58Å; V93-F99 HydrophobicContact CG2-CE2 3.39Å; V93-F99 HydrophobicContact CG2-CG 3.64Å; V93-F99 HydrophobicContact CG2-CZ 3.42Å; V93-F99 VanDerWaalsContact CG2-CZ 3.42Å; F99-T103 PolarHBondContact O-N 2.8Å; F99-T103 PolarHBondContact O-OG1 2.75Å; F99-I214 HydrophobicContact CB-CG1 4.05Å; F99-I214 WeakPolarHBondContact CB-O 3.2Å; F99-I214 WeakPolarHBondContact CD1-O 3.34Å; F99-D215 HydrophobicContact CE1-CB 4.28Å; F99-L217 HydrophobicContact CD1-CD1 4.29Å; F99-L217 HydrophobicContact CD1-CD2 3.56Å; F99-L217 HydrophobicContact CD1-CG 3.92Å; F99-L217 HydrophobicContact CE1-CD1 3.87Å; F99-L217 HydrophobicContact CE1-CD2 4.01Å; F99-L217 HydrophobicContact CE1-CG 3.87Å; F99-V353 HydrophobicContact CE1-CB 3.8Å; F99-V353 HydrophobicContact CE1-CG1 4.4Å; F99-V353 HydrophobicContact CE1-CG2 3.92Å; F99-V353 HydrophobicContact CZ-CB 3.64Å; F99-V353 HydrophobicContact CZ-CG1 3.78Å; F99-V353 HydrophobicContact CZ-CG2 4.13Å
100L96Very high93.6Very high0 Ų035.4 Ų35.40%018%0.178CC..Hα-helixtrans-67.4-43.7176.5-177.358.3000111.6S89 L90 T98 L102 T103 I104 L120 L122 L136 Y139S89-L100 PolarHBondContact O-N 3.42Å; S89-L100 VanDerWaalsContact O-N 3.14Å; L90-L100 HydrophobicContact CD2-CD2 4.17Å; T98-L100 PolarHBondContact O-N 3Å; T98-L100 PolarHBondContact OG1-N 2.67Å; L100-L102 VanDerWaalsContact C-N 3.32Å; L100-L102 PolarHBondContact O-N 2.94Å; L100-T103 PolarHBondContact O-N 3.13Å; L100-I104 HydrophobicContact CD1-CD1 3.91Å; L100-I104 HydrophobicContact CD1-CG1 4.25Å; L100-I104 HydrophobicContact CG-CD1 3.93Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 3.08Å; L100-L120 HydrophobicContact CD1-CD2 4.34Å; L100-L122 HydrophobicContact CD1-CD1 3.86Å; L100-L122 HydrophobicContact CD1-CD2 4.18Å; L100-L136 HydrophobicContact CD2-CD2 4.16Å; L100-Y139 HydrophobicContact CD2-CE2 3.81Å; L100-Y139 HydrophobicContact CG-CE2 4.04Å
101D95.6Very high93.6Very high10 Ų1032.7 Ų32.75%0.05316%0.164CC..Hα-helixtrans-58.1-45.9175.4-66.6-62.1000111.2L97 T98 T103 I104 Q105 K138 Y139L97-D101 HydrophobicContact CB-CB 4.04Å; L97-D101 HydrophobicContact CD2-CB 4.06Å; T98-D101 WeakPolarHBondContact CB-OD2 3.27Å; T98-D101 WeakPolarHBondContact CG2-OD2 3.26Å; T98-D101 PolarHBondContact N-OD2 3.25Å; T98-D101 WeakPolarHBondContact O-CB 3.41Å; T98-D101 PolarHBondContact O-N 2.81Å; T98-D101 VanDerWaalsContact O-N 3.13Å; T98-D101 VanDerWaalsContact OG1-CG 3.3Å; T98-D101 PolarHBondContact OG1-N 3.17Å; T98-D101 VanDerWaalsContact OG1-N 3.15Å; T98-D101 PolarHBondContact OG1-OD2 3.47Å; D101-T103 PolarHBondContact O-N 3.4Å; D101-I104 PolarHBondContact O-N 3Å; D101-Q105 WeakPolarHBondContact O-CG 3.3Å; D101-Q105 PolarHBondContact O-N 2.85Å; D101-K138 IonicContact OD1-NZ 3.53Å; D101-K138 PolarHBondContact OD1-NZ 3.45Å; D101-K138 IonicContact OD2-NZ 3.24Å; D101-Y139 WeakPolarHBondContact OD1-CE1 3.33Å; D101-Y139 VanDerWaalsContact OD1-CZ 3.28Å; D101-Y139 PolarHBondContact OD1-OH 3.23Å
102L95.6Very high93.6Very high0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-62.1-44.2179.2-67176.2000111.8V93 L97 T98 L100 I104 Q105 Q106 L217 L369V93-L102 HydrophobicContact CB-CD1 4.09Å; V93-L102 HydrophobicContact CG1-CD1 4.14Å; L97-L102 HydrophobicContact CB-CD2 4.15Å; L97-L102 HydrophobicContact CB-CG 4.34Å; L97-L102 HydrophobicContact CD1-CD2 4Å; T98-L102 WeakPolarHBondContact O-CG 3.28Å; T98-L102 PolarHBondContact O-N 2.86Å; L100-L102 VanDerWaalsContact C-N 3.32Å; L100-L102 PolarHBondContact O-N 2.94Å; L102-I104 VanDerWaalsContact C-N 3.33Å; L102-I104 PolarHBondContact O-N 3.27Å; L102-Q105 PolarHBondContact O-N 2.93Å; L102-Q106 VanDerWaalsContact O-CG 3.27Å; L102-Q106 WeakPolarHBondContact O-CG 3.34Å; L102-Q106 PolarHBondContact O-N 3.36Å; L102-L217 HydrophobicContact CD1-CD2 3.61Å; L102-L369 HydrophobicContact CD2-CD1 3.56Å; L102-L369 HydrophobicContact CD2-CD2 4.12Å
103T96.1Very high93.6Very high7 Ų742 Ų424%0.04320%0.196CC..Hα-helixtrans-62.6-41.6177.3-590000111.7K73 F99 L100 D101 Q106 L107 L120 I214K73-T103 HydrophobicContact CD-CG2 4.44Å; K73-T103 HydrophobicContact CG-CG2 4.05Å; F99-T103 PolarHBondContact O-N 2.8Å; F99-T103 PolarHBondContact O-OG1 2.75Å; L100-T103 PolarHBondContact O-N 3.13Å; D101-T103 PolarHBondContact O-N 3.4Å; T103-Q106 PolarHBondContact O-N 3.4Å; T103-L107 HydrophobicContact CG2-CD1 4.46Å; T103-L107 PolarHBondContact O-N 3.19Å; T103-L107 VanDerWaalsContact O-N 3.14Å; T103-L120 HydrophobicContact CG2-CD1 3.97Å; T103-L120 HydrophobicContact CG2-CD2 4.13Å; T103-I214 HydrophobicContact CG2-CD1 4.44Å; T103-I214 VanDerWaalsContact OG1-CD1 3.26Å; T103-I214 WeakPolarHBondContact OG1-CD1 3.4Å
104I95.6Very high93.5Very high4 Ų443.5 Ų43.52%0.02120%0.203CC..Hα-helixtrans-67-43.1179-72172.7000110.7L100 D101 L102 Q106 L107 E108 L120 Y139 V142L100-I104 HydrophobicContact CD1-CD1 3.91Å; L100-I104 HydrophobicContact CD1-CG1 4.25Å; L100-I104 HydrophobicContact CG-CD1 3.93Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 3.08Å; D101-I104 PolarHBondContact O-N 3Å; L102-I104 VanDerWaalsContact C-N 3.33Å; L102-I104 PolarHBondContact O-N 3.27Å; I104-Q106 VanDerWaalsContact C-N 3.32Å; I104-Q106 PolarHBondContact O-N 3.49Å; I104-L107 PolarHBondContact O-N 3.46Å; I104-E108 VanDerWaalsContact O-CB 3.3Å; I104-E108 WeakPolarHBondContact O-CB 3.29Å; I104-E108 PolarHBondContact O-N 2.88Å; I104-L120 HydrophobicContact CG1-CD2 3.91Å; I104-Y139 HydrophobicContact CD1-CD1 3.53Å; I104-Y139 HydrophobicContact CD1-CD2 3.36Å; I104-Y139 HydrophobicContact CD1-CE1 3.64Å; I104-Y139 HydrophobicContact CD1-CE2 3.49Å; I104-Y139 VanDerWaalsContact CD1-CE2 3.49Å; I104-Y139 HydrophobicContact CD1-CG 3.39Å; I104-Y139 HydrophobicContact CG2-CD1 4.05Å; I104-Y139 HydrophobicContact CG2-CE1 4.5Å; I104-V142 HydrophobicContact CG2-CB 4.43Å; I104-V142 HydrophobicContact CG2-CG1 3.63Å
105Q95Very high93.6Very high62 Ų6251 Ų5129%0.2924%0.237SC..Hα-helixtrans-60.3-40.3175.2-75.1179.113.800112.3D101 L102 Y109D101-Q105 WeakPolarHBondContact O-CG 3.3Å; D101-Q105 PolarHBondContact O-N 2.85Å; L102-Q105 PolarHBondContact O-N 2.93Å; Q105-Y109 VanDerWaalsContact O-CB 3.32Å; Q105-Y109 WeakPolarHBondContact O-CB 3.34Å; Q105-Y109 PolarHBondContact O-N 2.73Å
106Q94.8Very high93.9Very high16 Ų1644.6 Ų44.68%0.07521%0.208CC..Hα-helixtrans-59.4-48.6175.6-72.1172.612.500111.4L102 T103 I104 Y109 L110 N371 G372L102-Q106 VanDerWaalsContact O-CG 3.27Å; L102-Q106 WeakPolarHBondContact O-CG 3.34Å; L102-Q106 PolarHBondContact O-N 3.36Å; T103-Q106 PolarHBondContact O-N 3.4Å; I104-Q106 VanDerWaalsContact C-N 3.32Å; I104-Q106 PolarHBondContact O-N 3.49Å; Q106-Y109 PolarHBondContact O-N 2.86Å; Q106-L110 VanDerWaalsContact O-CG 3.27Å; Q106-L110 WeakPolarHBondContact O-CG 3.35Å; Q106-L110 PolarHBondContact O-N 3.35Å; Q106-L110 VanDerWaalsContact O-N 3.11Å; Q106-N371 WeakPolarHBondContact CA-O 3.45Å; Q106-G372 PolarHBondContact NE2-O 3.13Å
107L95.2Very high94.1Very high4 Ų441.7 Ų41.72%0.02119%0.192CC..Hα-helixtrans-71-39.1-178.8-67.9177.2000112.5V71 T103 I104 Y109 L110 N111 I118 L120 V144 M221V71-L107 HydrophobicContact CB-CD1 4.42Å; V71-L107 HydrophobicContact CB-CD2 4.43Å; V71-L107 HydrophobicContact CG1-CD1 4.48Å; V71-L107 HydrophobicContact CG2-CD2 3.99Å; T103-L107 HydrophobicContact CG2-CD1 4.46Å; T103-L107 PolarHBondContact O-N 3.19Å; T103-L107 VanDerWaalsContact O-N 3.14Å; I104-L107 PolarHBondContact O-N 3.46Å; L107-Y109 VanDerWaalsContact C-N 3.31Å; L107-Y109 PolarHBondContact O-N 3.25Å; L107-L110 HydrophobicContact CD2-CD1 4.49Å; L107-L110 PolarHBondContact O-N 2.88Å; L107-N111 VanDerWaalsContact O-CB 3.31Å; L107-N111 WeakPolarHBondContact O-CB 3.46Å; L107-N111 VanDerWaalsContact O-CG 3.25Å; L107-N111 PolarHBondContact O-N 3.43Å; L107-I118 HydrophobicContact CD2-CB 4.47Å; L107-I118 HydrophobicContact CD2-CG2 4.03Å; L107-L120 HydrophobicContact CD1-CB 3.63Å; L107-L120 HydrophobicContact CD1-CD1 3.92Å; L107-L120 HydrophobicContact CD1-CD2 4.24Å; L107-L120 HydrophobicContact CD1-CG 4.13Å; L107-V144 HydrophobicContact CB-CG1 4.09Å; L107-V144 HydrophobicContact CB-CG2 3.87Å; L107-V144 HydrophobicContact CD1-CG1 4.14Å; L107-M221 HydrophobicContact CD2-CG 4.45Å
108E95.1Very high94.2Very high61 Ų6140 Ų4029%0.28518%0.183SC..Hα-helixtrans-59.7-45175.1178.3172-142.500110.9I104 L110 N111 N112 V142 V144I104-E108 VanDerWaalsContact O-CB 3.3Å; I104-E108 WeakPolarHBondContact O-CB 3.29Å; I104-E108 PolarHBondContact O-N 2.88Å; E108-L110 PolarHBondContact O-N 3.34Å; E108-N111 PolarHBondContact O-N 3.35Å; E108-N112 WeakPolarHBondContact O-CB 3.21Å; E108-N112 VanDerWaalsContact O-CG 3.3Å; E108-N112 PolarHBondContact O-N 3Å; E108-N112 PolarHBondContact O-ND2 3.25Å; E108-N112 VanDerWaalsContact O-ND2 3.17Å; E108-V142 HydrophobicContact CB-CG1 4.16Å; E108-V142 HydrophobicContact CG-CG1 4.21Å; E108-V144 HydrophobicContact CB-CG2 3.86Å
109Y94.7Very high94.2Very high80 Ų8039.4 Ų39.431%0.31418%0.18SC..Hα-helixtrans-59-46.5175.3177-99.6000111.9Q105 Q106 L107 N112 R113 N371Q105-Y109 VanDerWaalsContact O-CB 3.32Å; Q105-Y109 WeakPolarHBondContact O-CB 3.34Å; Q105-Y109 PolarHBondContact O-N 2.73Å; Q106-Y109 PolarHBondContact O-N 2.86Å; L107-Y109 VanDerWaalsContact C-N 3.31Å; L107-Y109 PolarHBondContact O-N 3.25Å; Y109-N112 PolarHBondContact O-N 3.44Å; Y109-R113 VanDerWaalsContact O-CB 3.22Å; Y109-R113 WeakPolarHBondContact O-CB 3.37Å; Y109-R113 PolarHBondContact O-N 2.75Å; Y109-R113 PolarHBondContact OH-NH1 2.96Å; Y109-N371 HydrophobicContact CD1-CB 4.13Å; Y109-N371 HydrophobicContact CD2-CB 3.7Å; Y109-N371 HydrophobicContact CE2-CB 4.21Å; Y109-N371 VanDerWaalsContact CE2-CG 3.48Å; Y109-N371 WeakPolarHBondContact CE2-ND2 3.46Å; Y109-N371 HydrophobicContact CG-CB 3.65Å
110L93.4Very high94.3Very high28 Ų2839.4 Ų39.415%0.14718%0.18CC..Hα-helixtrans-65.9-45.6179.5-68.4169.4000112.4F66 Q106 L107 E108 N112 R113 H114 I118 M221F66-L110 HydrophobicContact CE2-CD2 4.1Å; F66-L110 HydrophobicContact CZ-CD2 4.43Å; Q106-L110 VanDerWaalsContact O-CG 3.27Å; Q106-L110 WeakPolarHBondContact O-CG 3.35Å; Q106-L110 PolarHBondContact O-N 3.35Å; Q106-L110 VanDerWaalsContact O-N 3.11Å; L107-L110 HydrophobicContact CD2-CD1 4.49Å; L107-L110 PolarHBondContact O-N 2.88Å; E108-L110 PolarHBondContact O-N 3.34Å; L110-N112 VanDerWaalsContact C-N 3.27Å; L110-N112 PolarHBondContact O-N 3.05Å; L110-R113 PolarHBondContact O-N 2.89Å; L110-H114 WeakPolarHBondContact O-CB 3.13Å; L110-H114 PolarHBondContact O-N 3Å; L110-I118 HydrophobicContact CB-CD1 4.19Å; L110-M221 HydrophobicContact CD1-CB 3.6Å; L110-M221 HydrophobicContact CD1-CG 3.65Å
111N93.8Very high94.4Very high0 Ų039.4 Ų39.40%018%0.18CC..Hα-helixtrans-60.3-37.1177.1-75.4-7.6000111.8L107 E108 K115 V116 I118 K143L107-N111 VanDerWaalsContact O-CB 3.31Å; L107-N111 WeakPolarHBondContact O-CB 3.46Å; L107-N111 VanDerWaalsContact O-CG 3.25Å; L107-N111 PolarHBondContact O-N 3.43Å; E108-N111 PolarHBondContact O-N 3.35Å; N111-K115 VanDerWaalsContact O-CA 3.23Å; N111-K115 WeakPolarHBondContact O-CA 3.27Å; N111-K115 PolarHBondContact O-N 3.08Å; N111-K115 VanDerWaalsContact O-N 3.09Å; N111-V116 VanDerWaalsContact CA-O 3.31Å; N111-V116 WeakPolarHBondContact CA-O 3.41Å; N111-V116 VanDerWaalsContact CB-O 3.23Å; N111-V116 WeakPolarHBondContact CB-O 3.47Å; N111-V116 VanDerWaalsContact CG-O 3.31Å; N111-V116 PolarHBondContact O-N 3.04Å; N111-V116 PolarHBondContact OD1-O 3.44Å; N111-I118 WeakPolarHBondContact OD1-CB 3.46Å; N111-I118 WeakPolarHBondContact OD1-CG1 3.1Å; N111-I118 PolarHBondContact OD1-N 2.78Å; N111-K143 PolarHBondContact ND2-O 3.28Å
112N93.2Very high94.5Very high80 Ų8039 Ų3943%0.42818%0.177SC..Hα-helixtrans-74.7-46.9176.2-74.9-31.1000112.4E108 Y109 L110 H114 K143E108-N112 WeakPolarHBondContact O-CB 3.21Å; E108-N112 VanDerWaalsContact O-CG 3.3Å; E108-N112 PolarHBondContact O-N 3Å; E108-N112 PolarHBondContact O-ND2 3.25Å; E108-N112 VanDerWaalsContact O-ND2 3.17Å; Y109-N112 PolarHBondContact O-N 3.44Å; L110-N112 VanDerWaalsContact C-N 3.27Å; L110-N112 PolarHBondContact O-N 3.05Å; N112-H114 PolarHBondContact O-N 3.37Å; N112-K143 WeakPolarHBondContact OD1-CD 3.44Å; N112-K143 PolarHBondContact OD1-NZ 2.75Å
113R92.2Very high94.6Very high162 Ų16239 Ų3961%0.61118%0.177SC*.Hα-helixtrans-63.3-42.6-178.1-177.6177.8179.5102.47.3112.6Y109 L110Y109-R113 VanDerWaalsContact O-CB 3.22Å; Y109-R113 WeakPolarHBondContact O-CB 3.37Å; Y109-R113 PolarHBondContact O-N 2.75Å; Y109-R113 PolarHBondContact OH-NH1 2.96Å; L110-R113 PolarHBondContact O-N 2.89Å
114H89.6Confident94.6Very high32 Ų3238.7 Ų38.715%0.14818%0.175CC..Hα-helixtrans-101.6-0.6-174.7-66.3-78.3000113.6C63 F66 L110 N112 V116C63-H114 PolarHBondContact SG-O 2.96Å; F66-H114 HydrophobicContact CD2-CB 4.33Å; F66-H114 AromaticContact CE2-CD2 3.72Å; F66-H114 AromaticContact CE2-NE2 3.98Å; L110-H114 WeakPolarHBondContact O-CB 3.13Å; L110-H114 PolarHBondContact O-N 3Å; N112-H114 PolarHBondContact O-N 3.37Å; H114-V116 HydrophobicContact CB-CG1 4.17Å; H114-V116 HydrophobicContact CB-CG2 3.99Å; H114-V116 PolarHBondContact O-N 3.2Å
115K90.8Very high94.5Very high183 Ų18338.5 Ų38.580%0.79617%0.174SC*.THydrogen-bonded Turntrans52.742.1-176.4-57.8-179-179.7178.10112.7N111N111-K115 VanDerWaalsContact O-CA 3.23Å; N111-K115 WeakPolarHBondContact O-CA 3.27Å; N111-K115 PolarHBondContact O-N 3.08Å; N111-K115 VanDerWaalsContact O-N 3.09Å
116V92.2Very high94.2Very high9 Ų938.3 Ų38.36%0.05517%0.173CC..  trans-112.8166177.8-63.90000110.6F66 Q67 N111 H114 I118F66-V116 HydrophobicContact CB-CB 4.46Å; F66-V116 HydrophobicContact CB-CG1 4.27Å; F66-V116 HydrophobicContact CB-CG2 4.05Å; F66-V116 HydrophobicContact CD2-CG2 4.44Å; Q67-V116 HydrophobicContact CG-CB 4.48Å; Q67-V116 HydrophobicContact CG-CG1 3.84Å; N111-V116 VanDerWaalsContact CA-O 3.31Å; N111-V116 WeakPolarHBondContact CA-O 3.41Å; N111-V116 VanDerWaalsContact CB-O 3.23Å; N111-V116 WeakPolarHBondContact CB-O 3.47Å; N111-V116 VanDerWaalsContact CG-O 3.31Å; N111-V116 PolarHBondContact O-N 3.04Å; N111-V116 PolarHBondContact OD1-O 3.44Å; H114-V116 HydrophobicContact CB-CG1 4.17Å; H114-V116 HydrophobicContact CB-CG2 3.99Å; H114-V116 PolarHBondContact O-N 3.2Å; V116-I118 HydrophobicContact CG2-CD1 3.93Å; V116-I118 HydrophobicContact CG2-CG1 3.84Å
117D92.7Very high93.9Very high86 Ų8639.8 Ų39.846%0.4618%0.181SC..  trans-119.890.4169.9-174.825000109.4P119 K206D117-P119 WeakPolarHBondContact O-CD 3.42Å; D117-K206 PolarHBondContact O-NZ 3.44Å
118I95.1Very high93.9Very high0 Ų039.6 Ų39.60%018%0.18CC..  trans-87.2113.5173.3-55.8163.9000107.6F66 V71 L107 L110 N111 V116F66-I118 HydrophobicContact CB-CD1 3.88Å; F66-I118 HydrophobicContact CB-CG1 4.09Å; F66-I118 HydrophobicContact CD1-CD1 4.43Å; F66-I118 HydrophobicContact CD2-CD1 4.12Å; F66-I118 HydrophobicContact CG-CD1 3.9Å; V71-I118 HydrophobicContact CB-CG2 4.45Å; V71-I118 HydrophobicContact CG2-CG2 3.68Å; L107-I118 HydrophobicContact CD2-CB 4.47Å; L107-I118 HydrophobicContact CD2-CG2 4.03Å; L110-I118 HydrophobicContact CB-CD1 4.19Å; N111-I118 WeakPolarHBondContact OD1-CB 3.46Å; N111-I118 WeakPolarHBondContact OD1-CG1 3.1Å; N111-I118 PolarHBondContact OD1-N 2.78Å; V116-I118 HydrophobicContact CG2-CD1 3.93Å; V116-I118 HydrophobicContact CG2-CG1 3.84Å
119P96.2Very high93.8Very high4 Ų437.5 Ų37.53%0.02617%0.17CC..  trans-77.3143.8177.631.9-34.9000111.1V70 V71 D117 T145 F201V70-P119 HydrophobicContact CB-CG 3.94Å; V70-P119 HydrophobicContact CG1-CG 3.57Å; V71-P119 PolarHBondContact N-O 2.97Å; D117-P119 WeakPolarHBondContact O-CD 3.42Å; P119-T145 WeakPolarHBondContact CA-O 3.49Å; P119-F201 HydrophobicContact CB-CE1 3.81Å; P119-F201 HydrophobicContact CB-CZ 4.15Å; P119-F201 HydrophobicContact CG-CD1 4.17Å; P119-F201 HydrophobicContact CG-CE1 3.6Å; P119-F201 HydrophobicContact CG-CZ 4.22Å
120L97.5Very high93.7Very high0 Ų039.1 Ų39.10%018%0.181CC..EExtended strand (participates in β ladder)trans-99130.5170.5178.359.2000109.8V71 K73 L100 T103 I104 L107 L122 V144 T145 V146 H147V71-L120 HydrophobicContact CG1-CD1 4.1Å; V71-L120 CarbonylContact O-C 3.51Å; V71-L120 WeakPolarHBondContact O-CA 3.35Å; K73-L120 HydrophobicContact CB-CD1 4.49Å; K73-L120 HydrophobicContact CG-CD1 3.81Å; L100-L120 HydrophobicContact CD1-CD2 4.34Å; T103-L120 HydrophobicContact CG2-CD1 3.97Å; T103-L120 HydrophobicContact CG2-CD2 4.13Å; I104-L120 HydrophobicContact CG1-CD2 3.91Å; L107-L120 HydrophobicContact CD1-CB 3.63Å; L107-L120 HydrophobicContact CD1-CD1 3.92Å; L107-L120 HydrophobicContact CD1-CD2 4.24Å; L107-L120 HydrophobicContact CD1-CG 4.13Å; L120-L122 HydrophobicContact CD1-CD2 4.1Å; L120-L122 HydrophobicContact CD2-CD2 4.13Å; L120-L122 HydrophobicContact CG-CD2 4.03Å; L120-V144 HydrophobicContact CB-CG1 4.05Å; L120-T145 PolarHBondContact N-O 2.88Å; L120-V146 HydrophobicContact CB-CG1 4.45Å; L120-V146 HydrophobicContact CB-CG2 4.33Å; L120-V146 HydrophobicContact CD2-CG1 4.29Å; L120-V146 HydrophobicContact CD2-CG2 4.31Å; L120-V146 HydrophobicContact CG-CG1 4.35Å; L120-V146 CarbonylContact O-C 3.57Å; L120-V146 WeakPolarHBondContact O-CA 3.27Å; L120-H147 PolarHBondContact O-N 2.62Å
121I97.8Very high93.7Very high0 Ų040.4 Ų40.40%019%0.188CC..EExtended strand (participates in β ladder)trans-119.6122.6177.7-52163.5000108.2V70 V71 V72 K73 H147 F149 F192 L197 F201V70-I121 HydrophobicContact CB-CD1 3.83Å; V70-I121 HydrophobicContact CG2-CD1 3.77Å; V71-I121 PolarHBondContact O-N 2.91Å; V72-I121 CarbonylContact C-O 3.6Å; V72-I121 VanDerWaalsContact CA-O 3.3Å; V72-I121 WeakPolarHBondContact CA-O 3.49Å; V72-I121 HydrophobicContact CG2-CB 4.18Å; V72-I121 HydrophobicContact CG2-CD1 3.98Å; K73-I121 PolarHBondContact N-O 3.46Å; I121-H147 CarbonylContact C-O 3.45Å; I121-H147 WeakPolarHBondContact CA-O 3.48Å; I121-H147 HydrophobicContact CG1-CB 4.41Å; I121-F149 HydrophobicContact CG2-CD1 3.57Å; I121-F149 HydrophobicContact CG2-CE1 3.51Å; I121-F192 HydrophobicContact CD1-CE2 3.98Å; I121-F192 HydrophobicContact CD1-CZ 4Å; I121-L197 HydrophobicContact CG2-CD1 4.23Å; I121-F201 HydrophobicContact CD1-CD2 3.81Å; I121-F201 HydrophobicContact CD1-CE2 3.23Å; I121-F201 HydrophobicContact CD1-CZ 3.78Å; I121-F201 HydrophobicContact CG1-CE2 3.73Å; I121-F201 HydrophobicContact CG1-CZ 3.88Å
122L97.9Very high93.7Very high0 Ų040.4 Ų40.40%019%0.188CC..EExtended strand (participates in β ladder)trans-101.5116.2175.1-53.6178.9000109.8K73 N75 L100 L120 N124 T132 L136 V146 H147 T148 F149K73-L122 HydrophobicContact CB-CD2 3.9Å; N75-L122 HydrophobicContact CB-CB 4.41Å; L100-L122 HydrophobicContact CD1-CD1 3.86Å; L100-L122 HydrophobicContact CD1-CD2 4.18Å; L120-L122 HydrophobicContact CD1-CD2 4.1Å; L120-L122 HydrophobicContact CD2-CD2 4.13Å; L120-L122 HydrophobicContact CG-CD2 4.03Å; L122-N124 PolarHBondContact O-N 2.95Å; L122-T132 HydrophobicContact CD1-CG2 3.64Å; L122-L136 HydrophobicContact CD1-CD1 4.41Å; L122-L136 HydrophobicContact CD1-CD2 4.14Å; L122-V146 HydrophobicContact CD1-CG1 4.26Å; L122-V146 HydrophobicContact CG-CG1 4.34Å; L122-H147 PolarHBondContact N-O 3.24Å; L122-T148 HydrophobicContact CB-CG2 4.27Å; L122-T148 HydrophobicContact CD1-CG2 4.47Å; L122-T148 WeakPolarHBondContact O-CA 3.37Å; L122-F149 PolarHBondContact O-N 3.23Å; L122-F149 VanDerWaalsContact O-N 3.12Å
123M97.7Very high93.8Very high2 Ų241.1 Ų41.11%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-83.298.9170.5178.7-178172.600108.6K73 L74 N75 G76 F149 Q151 F188K73-M123 PolarHBondContact O-N 3.23Å; L74-M123 HydrophobicContact CD2-CB 4.35Å; L74-M123 HydrophobicContact CD2-SD 3.5Å; L74-M123 WeakPolarHBondContact CD2-SD 3.29Å; N75-M123 CarbonylContact C-O 3.59Å; N75-M123 VanDerWaalsContact CA-O 3.26Å; N75-M123 WeakPolarHBondContact CA-O 3.41Å; N75-M123 WeakPolarHBondContact CB-O 3.2Å; N75-M123 PolarHBondContact N-O 2.9Å; G76-M123 PolarHBondContact N-O 3.29Å; G76-M123 VanDerWaalsContact N-O 3.15Å; M123-F149 HydrophobicContact CB-CE1 3.96Å; M123-F149 HydrophobicContact CB-CE2 4.08Å; M123-F149 HydrophobicContact CB-CZ 3.55Å; M123-F149 HydrophobicContact CG-CE1 4.45Å; M123-F149 HydrophobicContact CG-CE2 3.66Å; M123-F149 HydrophobicContact CG-CZ 3.6Å; M123-F149 HydrophobicContact SD-CE2 4.37Å; M123-F149 HydrophobicContact SD-CZ 4.19Å; M123-Q151 HydrophobicContact CE-CB 3.44Å; M123-Q151 VanDerWaalsContact CE-CB 3.44Å; M123-Q151 HydrophobicContact CE-CG 4.3Å; M123-Q151 VanDerWaalsContact CE-OE1 3.25Å; M123-Q151 HydrophobicContact CG-CB 4.33Å; M123-F188 HydrophobicContact CE-CB 4.08Å; M123-F188 HydrophobicContact SD-CB 3.71Å; M123-F188 HydrophobicContact SD-CD2 3.88Å; M123-F188 HydrophobicContact SD-CG 4.28Å
124N96.5Very high93.9Very high0 Ų039.6 Ų39.60%018%0.181CC..EExtended strand (participates in β ladder)trans-89.3171.9-178.6-63.3-25.7000111.4N75 L122 E129 F149 N150 Q151N75-N124 PolarHBondContact ND2-OD1 3.14Å; L122-N124 PolarHBondContact O-N 2.95Å; N124-E129 HydrophobicContact CB-CB 4.26Å; N124-E129 WeakPolarHBondContact CB-OE2 3.46Å; N124-E129 PolarHBondContact ND2-OE2 3.17Å; N124-F149 PolarHBondContact N-O 2.47Å; N124-N150 PolarHBondContact O-OD1 3.01Å; N124-Q151 WeakPolarHBondContact O-CG 3.21Å; N124-Q151 PolarHBondContact O-N 3.37Å
125S92.8Very high94.1Very high0 Ų039.3 Ų39.30%018%0.184CC..  trans-114.7169.6165.174.20000110.4G76 N127 T128 E129 N150G76-S125 PolarHBondContact O-OG 3.02Å; G76-S125 VanDerWaalsContact O-OG 3.05Å; S125-N127 PolarHBondContact O-N 3.06Å; S125-N127 VanDerWaalsContact O-N 3.08Å; S125-N127 WeakPolarHBondContact OG-CB 3.43Å; S125-N127 PolarHBondContact OG-N 2.94Å; S125-T128 PolarHBondContact N-OG1 3.39Å; S125-T128 PolarHBondContact O-N 3.47Å; S125-T128 PolarHBondContact OG-N 2.7Å; S125-T128 PolarHBondContact OG-OG1 3.21Å; S125-E129 VanDerWaalsContact O-CB 3.31Å; S125-E129 WeakPolarHBondContact O-CB 3.34Å; S125-E129 PolarHBondContact O-N 3.27Å; S125-N150 WeakPolarHBondContact CA-OD1 3.32Å
126F89.5Confident94.2Very high58 Ų5831.9 Ų31.925%0.25415%0.154SC..THydrogen-bonded Turntrans-57.2-21.8168.368.3-91.1000112.9N150 C153 W180F126-N150 PolarHBondContact N-OD1 3.29Å; F126-C153 HydrophobicContact CD1-CB 4.31Å; F126-W180 HydrophobicContact CE1-CB 4.27Å; F126-W180 HydrophobicContact CE2-CB 4.38Å; F126-W180 HydrophobicContact CZ-CB 3.86Å
127N89.1Confident94.2Very high47 Ų4739.4 Ų39.425%0.25118%0.181SC..THydrogen-bonded Turntrans-81.5-22174.9-62.9-50.5000113.6L78 S125L78-N127 HydrophobicContact CD1-CB 3.99Å; L78-N127 HydrophobicContact CD2-CB 4Å; L78-N127 HydrophobicContact CG-CB 4.06Å; S125-N127 PolarHBondContact O-N 3.06Å; S125-N127 VanDerWaalsContact O-N 3.08Å; S125-N127 WeakPolarHBondContact OG-CB 3.43Å; S125-N127 PolarHBondContact OG-N 2.94Å
128T93.6Very high94.1Very high0 Ų042 Ų420%019%0.188CC..THydrogen-bonded Turntrans-117.7-17.4-171.459.20000114.6N75 L78 P87 S125 E130 T132N75-T128 WeakPolarHBondContact O-CB 3.45Å; N75-T128 PolarHBondContact O-OG1 3.07Å; L78-T128 HydrophobicContact CD2-CG2 3.88Å; P87-T128 HydrophobicContact CB-CG2 3.81Å; P87-T128 HydrophobicContact CG-CG2 3.96Å; S125-T128 PolarHBondContact N-OG1 3.39Å; S125-T128 PolarHBondContact O-N 3.47Å; S125-T128 PolarHBondContact OG-N 2.7Å; S125-T128 PolarHBondContact OG-OG1 3.21Å; T128-E130 PolarHBondContact O-N 2.84Å; T128-T132 VanDerWaalsContact O-CB 3.24Å; T128-T132 WeakPolarHBondContact O-CB 3.44Å; T128-T132 PolarHBondContact O-N 2.78Å; T128-T132 PolarHBondContact O-OG1 2.75Å
129E93.2Very high93.9Very high17 Ų1743.1 Ų43.18%0.07919%0.193CC..Hα-helixtrans-55.7-54.2-173.7177.371174.500113.6N124 S125 T132 K133N124-E129 HydrophobicContact CB-CB 4.26Å; N124-E129 WeakPolarHBondContact CB-OE2 3.46Å; N124-E129 PolarHBondContact ND2-OE2 3.17Å; S125-E129 VanDerWaalsContact O-CB 3.31Å; S125-E129 WeakPolarHBondContact O-CB 3.34Å; S125-E129 PolarHBondContact O-N 3.27Å; E129-T132 PolarHBondContact O-N 2.98Å; E129-K133 HydrophobicContact CG-CD 4.26Å; E129-K133 WeakPolarHBondContact O-CB 3.43Å; E129-K133 WeakPolarHBondContact O-CG 3.36Å; E129-K133 PolarHBondContact O-N 2.82Å; E129-K133 WeakPolarHBondContact OE1-CE 3.18Å; E129-K133 IonicContact OE1-NZ 3.54Å; E129-K133 PolarHBondContact OE1-NZ 3.39Å
130E93.1Very high93.4Very high114 Ų11452.1 Ų52.153%0.53323%0.226SC..Hα-helixtrans-66.6-43.2-174.6-72.9-59.4136.500112.4T128 R134T128-E130 PolarHBondContact O-N 2.84Å; E130-R134 WeakPolarHBondContact O-CG 3.46Å; E130-R134 PolarHBondContact O-N 2.67Å; E130-R134 VanDerWaalsContact O-N 3.08Å
131D93.9Very high92.9Very high55 Ų5560 Ų6029%0.29427%0.268SS..Hα-helixtrans-64.4-43.1176-77.4-37.7000111.4P87 L90 R134 A135P87-D131 VanDerWaalsContact CD-CB 3.49Å; P87-D131 HydrophobicContact CG-CB 3.55Å; L90-D131 HydrophobicContact CD1-CB 4.36Å; D131-R134 PolarHBondContact O-N 2.85Å; D131-R134 IonicContact OD1-CZ 3.49Å; D131-R134 IonicContact OD1-NE 3.75Å; D131-R134 IonicContact OD1-NH2 2.79Å; D131-R134 PolarHBondContact OD1-NH2 2.89Å; D131-A135 PolarHBondContact O-N 2.77Å
132T94.4Very high92.5Very high0 Ų061.8 Ų61.80%028%0.279CS..Hα-helixtrans-63.7-47.5178.6-56.10000110.6N75 L122 T128 E129 R134 A135 L136N75-T132 WeakPolarHBondContact ND2-CG2 3.39Å; N75-T132 PolarHBondContact ND2-OG1 3Å; L122-T132 HydrophobicContact CD1-CG2 3.64Å; T128-T132 VanDerWaalsContact O-CB 3.24Å; T128-T132 WeakPolarHBondContact O-CB 3.44Å; T128-T132 PolarHBondContact O-N 2.78Å; T128-T132 PolarHBondContact O-OG1 2.75Å; E129-T132 PolarHBondContact O-N 2.98Å; T132-R134 VanDerWaalsContact C-N 3.3Å; T132-R134 PolarHBondContact O-N 2.82Å; T132-A135 PolarHBondContact O-N 3.42Å; T132-A135 VanDerWaalsContact O-N 3.12Å; T132-L136 HydrophobicContact CG2-CD1 4.33Å; T132-L136 HydrophobicContact CG2-CG 4.38Å; T132-L136 WeakPolarHBondContact O-CG 3.35Å; T132-L136 PolarHBondContact O-N 2.78Å
133K93.8Very high92.1Very high95 Ų9566.8 Ų66.841%0.41330%0.301SS..Hα-helixtrans-60-36.9176.9-81.9177.5162.5165.40113.3E129E129-K133 HydrophobicContact CG-CD 4.26Å; E129-K133 WeakPolarHBondContact O-CB 3.43Å; E129-K133 WeakPolarHBondContact O-CG 3.36Å; E129-K133 PolarHBondContact O-N 2.82Å; E129-K133 WeakPolarHBondContact OE1-CE 3.18Å; E129-K133 IonicContact OE1-NZ 3.54Å; E129-K133 PolarHBondContact OE1-NZ 3.39Å
134R94.6Very high91.8Very high129 Ų12967.2 Ų67.249%0.48730%0.303SS..Hα-helixtrans-64.2-46.5173.2-77-169.3-69.6-94.711.5111.5E130 D131 T132 L136 R137E130-R134 WeakPolarHBondContact O-CG 3.46Å; E130-R134 PolarHBondContact O-N 2.67Å; E130-R134 VanDerWaalsContact O-N 3.08Å; D131-R134 PolarHBondContact O-N 2.85Å; D131-R134 IonicContact OD1-CZ 3.49Å; D131-R134 IonicContact OD1-NE 3.75Å; D131-R134 IonicContact OD1-NH2 2.79Å; D131-R134 PolarHBondContact OD1-NH2 2.89Å; T132-R134 VanDerWaalsContact C-N 3.3Å; T132-R134 PolarHBondContact O-N 2.82Å; R134-L136 VanDerWaalsContact C-N 3.31Å; R134-L136 PolarHBondContact O-N 2.93Å; R134-R137 WeakPolarHBondContact O-CB 3.5Å; R134-R137 WeakPolarHBondContact O-CG 3.45Å; R134-R137 PolarHBondContact O-N 2.94Å
135A93Very high91.7Very high26 Ų2670 Ų7022%0.21532%0.32CS..Hα-helixtrans-63.5-35.7178.800000112.6L90 D131 T132 R137 K138L90-A135 HydrophobicContact CD1-CB 4.01Å; L90-A135 HydrophobicContact CD2-CB 3.54Å; L90-A135 HydrophobicContact CG-CB 4.45Å; D131-A135 PolarHBondContact O-N 2.77Å; T132-A135 PolarHBondContact O-N 3.42Å; T132-A135 VanDerWaalsContact O-N 3.12Å; A135-R137 PolarHBondContact O-N 2.82Å; A135-K138 WeakPolarHBondContact O-CB 3.44Å; A135-K138 PolarHBondContact O-N 3.06Å; A135-K138 VanDerWaalsContact O-N 3.11Å
136L93.8Very high91.9Very high28 Ų2872 Ų7215%0.14733%0.332CS..Hα-helixtrans-61.3-19.3-179.4-74.3177.3000114.6L100 L122 T132 R134 K138 Y139 V146 T148L100-L136 HydrophobicContact CD2-CD2 4.16Å; L122-L136 HydrophobicContact CD1-CD1 4.41Å; L122-L136 HydrophobicContact CD1-CD2 4.14Å; T132-L136 HydrophobicContact CG2-CD1 4.33Å; T132-L136 HydrophobicContact CG2-CG 4.38Å; T132-L136 WeakPolarHBondContact O-CG 3.35Å; T132-L136 PolarHBondContact O-N 2.78Å; R134-L136 VanDerWaalsContact C-N 3.31Å; R134-L136 PolarHBondContact O-N 2.93Å; L136-K138 PolarHBondContact O-N 3.34Å; L136-K138 VanDerWaalsContact O-N 3.16Å; L136-Y139 HydrophobicContact CD2-CD2 4Å; L136-Y139 HydrophobicContact CD2-CE2 4.4Å; L136-Y139 PolarHBondContact O-N 2.78Å; L136-Y139 VanDerWaalsContact O-N 3.09Å; L136-V146 HydrophobicContact CD1-CG1 4.18Å; L136-V146 HydrophobicContact CD2-CB 4.36Å; L136-V146 HydrophobicContact CD2-CG1 3.71Å; L136-T148 HydrophobicContact CD1-CG2 3.34Å
137R92.1Very high92.2Very high167 Ų16771.9 Ų71.963%0.6333%0.332SS*.G310 helixtrans-58.9-26.3175.1-63.9178-177.9-178.6-0.9112.8R134 A135 Y139R134-R137 WeakPolarHBondContact O-CB 3.5Å; R134-R137 WeakPolarHBondContact O-CG 3.45Å; R134-R137 PolarHBondContact O-N 2.94Å; A135-R137 PolarHBondContact O-N 2.82Å; R137-Y139 VanDerWaalsContact C-N 3.27Å; R137-Y139 PolarHBondContact O-N 3.1Å
138K91.6Very high92.5Very high141 Ų14171.4 Ų71.461%0.61333%0.331SS*.G310 helixtrans-63.9-28.8176.9-174.4-175.9174.5-167.30112.9D101 A135 L136D101-K138 IonicContact OD1-NZ 3.53Å; D101-K138 PolarHBondContact OD1-NZ 3.45Å; D101-K138 IonicContact OD2-NZ 3.24Å; A135-K138 WeakPolarHBondContact O-CB 3.44Å; A135-K138 PolarHBondContact O-N 3.06Å; A135-K138 VanDerWaalsContact O-N 3.11Å; L136-K138 PolarHBondContact O-N 3.34Å; L136-K138 VanDerWaalsContact O-N 3.16Å
139Y90.9Very high92.6Very high23 Ų2371.9 Ų71.99%0.0933%0.333CS..G310 helixtrans-102.714-169.7-47.4-72.6000114.3L100 D101 I104 L136 R137 N141 V142L100-Y139 HydrophobicContact CD2-CE2 3.81Å; L100-Y139 HydrophobicContact CG-CE2 4.04Å; D101-Y139 WeakPolarHBondContact OD1-CE1 3.33Å; D101-Y139 VanDerWaalsContact OD1-CZ 3.28Å; D101-Y139 PolarHBondContact OD1-OH 3.23Å; I104-Y139 HydrophobicContact CD1-CD1 3.53Å; I104-Y139 HydrophobicContact CD1-CD2 3.36Å; I104-Y139 HydrophobicContact CD1-CE1 3.64Å; I104-Y139 HydrophobicContact CD1-CE2 3.49Å; I104-Y139 VanDerWaalsContact CD1-CE2 3.49Å; I104-Y139 HydrophobicContact CD1-CG 3.39Å; I104-Y139 HydrophobicContact CG2-CD1 4.05Å; I104-Y139 HydrophobicContact CG2-CE1 4.5Å; L136-Y139 HydrophobicContact CD2-CD2 4Å; L136-Y139 HydrophobicContact CD2-CE2 4.4Å; L136-Y139 PolarHBondContact O-N 2.78Å; L136-Y139 VanDerWaalsContact O-N 3.09Å; R137-Y139 VanDerWaalsContact C-N 3.27Å; R137-Y139 PolarHBondContact O-N 3.1Å; Y139-N141 PolarHBondContact O-N 2.92Å; Y139-N141 VanDerWaalsContact O-N 3.12Å; Y139-V142 HydrophobicContact CD1-CG2 4.28Å; Y139-V142 WeakPolarHBondContact O-CB 3.47Å; Y139-V142 PolarHBondContact O-N 3.49Å
140R85.5Confident92.6Very high193 Ų19372.4 Ų72.473%0.72834%0.337SS*.THydrogen-bonded Turntrans-58.3-28-177.4-74.6179.9174.5-170.3-2.7114.4
141N87.1Confident92.6Very high166 Ų16667.5 Ų67.589%0.88831%0.314SS*.THydrogen-bonded Turntrans-101.57-178-60.7-16.8000112.8Y139Y139-N141 PolarHBondContact O-N 2.92Å; Y139-N141 VanDerWaalsContact O-N 3.12Å
142V89.7Confident92.5Very high36 Ų3665.6 Ų65.622%0.21831%0.305CS..SBendtrans-88.6142.5179.3177.80000109.1I104 E108 Y139 V144I104-V142 HydrophobicContact CG2-CB 4.43Å; I104-V142 HydrophobicContact CG2-CG1 3.63Å; E108-V142 HydrophobicContact CB-CG1 4.16Å; E108-V142 HydrophobicContact CG-CG1 4.21Å; Y139-V142 HydrophobicContact CD1-CG2 4.28Å; Y139-V142 WeakPolarHBondContact O-CB 3.47Å; Y139-V142 PolarHBondContact O-N 3.49Å; V142-V144 HydrophobicContact CG1-CB 4.34Å; V142-V144 HydrophobicContact CG1-CG2 4.09Å; V142-V144 PolarHBondContact O-N 2.81Å
143K87.9Confident92Very high106 Ų10666.1 Ų66.146%0.46131%0.308SS..SBendtrans-78.151.1-179.2-161.1-163.4-179-1720112.8N111 N112N111-K143 PolarHBondContact ND2-O 3.28Å; N112-K143 WeakPolarHBondContact OD1-CD 3.44Å; N112-K143 PolarHBondContact OD1-NZ 2.75Å
144V92.4Very high91.5Very high10 Ų1061.7 Ų61.76%0.06129%0.289CS..SBendtrans-140.4119.5175.7-179.60000108.3L107 E108 L120 V142 V146L107-V144 HydrophobicContact CB-CG1 4.09Å; L107-V144 HydrophobicContact CB-CG2 3.87Å; L107-V144 HydrophobicContact CD1-CG1 4.14Å; E108-V144 HydrophobicContact CB-CG2 3.86Å; L120-V144 HydrophobicContact CB-CG1 4.05Å; V142-V144 HydrophobicContact CG1-CB 4.34Å; V142-V144 HydrophobicContact CG1-CG2 4.09Å; V142-V144 PolarHBondContact O-N 2.81Å; V144-V146 HydrophobicContact CG1-CG2 4.2Å; V144-V146 PolarHBondContact O-N 3.44Å
145T93.9Very high90.8Very high59 Ų5956 Ų5636%0.36227%0.269SS..  trans-74.9114.9174.6-54.30000109.4P119 L120 H147P119-T145 WeakPolarHBondContact CA-O 3.49Å; L120-T145 PolarHBondContact N-O 2.88Å; T145-H147 VanDerWaalsContact CG2-NE2 3.3Å; T145-H147 WeakPolarHBondContact CG2-NE2 3.22Å
146V96.1Very high90Very high41 Ų4156.1 Ų56.125%0.24826%0.264CS..EExtended strand (participates in β ladder)trans-107.6121.9-178.7-170.10000111.1L120 L122 L136 V144L120-V146 HydrophobicContact CB-CG1 4.45Å; L120-V146 HydrophobicContact CB-CG2 4.33Å; L120-V146 HydrophobicContact CD2-CG1 4.29Å; L120-V146 HydrophobicContact CD2-CG2 4.31Å; L120-V146 HydrophobicContact CG-CG1 4.35Å; L120-V146 CarbonylContact O-C 3.57Å; L120-V146 WeakPolarHBondContact O-CA 3.27Å; L122-V146 HydrophobicContact CD1-CG1 4.26Å; L122-V146 HydrophobicContact CG-CG1 4.34Å; L136-V146 HydrophobicContact CD1-CG1 4.18Å; L136-V146 HydrophobicContact CD2-CB 4.36Å; L136-V146 HydrophobicContact CD2-CG1 3.71Å; V144-V146 HydrophobicContact CG1-CG2 4.2Å; V144-V146 PolarHBondContact O-N 3.44Å
147H96.1Very high89.1Confident56 Ų5655.1 Ų55.126%0.25926%0.259SS..EExtended strand (participates in β ladder)trans-109.2152.8172.6-63.2-96.8000110.8L120 I121 L122 T145 L197 F201L120-H147 PolarHBondContact O-N 2.62Å; I121-H147 CarbonylContact C-O 3.45Å; I121-H147 WeakPolarHBondContact CA-O 3.48Å; I121-H147 HydrophobicContact CG1-CB 4.41Å; L122-H147 PolarHBondContact N-O 3.24Å; T145-H147 VanDerWaalsContact CG2-NE2 3.3Å; T145-H147 WeakPolarHBondContact CG2-NE2 3.22Å; H147-L197 HydrophobicContact CB-CD1 4.19Å; H147-L197 HydrophobicContact CB-CD2 4.31Å; H147-F201 AromaticContact CD2-CZ 3.64Å; H147-F201 AromaticContact NE2-CZ 3.9Å
148T96.3Very high87.8Confident37 Ų3747.4 Ų47.423%0.22723%0.231CC..EExtended strand (participates in β ladder)trans-132.7139.4175.659.10000109.5L122 L136L122-T148 HydrophobicContact CB-CG2 4.27Å; L122-T148 HydrophobicContact CD1-CG2 4.47Å; L122-T148 WeakPolarHBondContact O-CA 3.37Å; L136-T148 HydrophobicContact CD1-CG2 3.34Å
149F95.4Very high86.5Confident10 Ų1044 Ų444%0.04422%0.219CC..EExtended strand (participates in β ladder)trans-137158.116471.6-85.7000109.6I121 L122 M123 N124 F188 S191 F192 L197I121-F149 HydrophobicContact CG2-CD1 3.57Å; I121-F149 HydrophobicContact CG2-CE1 3.51Å; L122-F149 PolarHBondContact O-N 3.23Å; L122-F149 VanDerWaalsContact O-N 3.12Å; M123-F149 HydrophobicContact CB-CE1 3.96Å; M123-F149 HydrophobicContact CB-CE2 4.08Å; M123-F149 HydrophobicContact CB-CZ 3.55Å; M123-F149 HydrophobicContact CG-CE1 4.45Å; M123-F149 HydrophobicContact CG-CE2 3.66Å; M123-F149 HydrophobicContact CG-CZ 3.6Å; M123-F149 HydrophobicContact SD-CE2 4.37Å; M123-F149 HydrophobicContact SD-CZ 4.19Å; N124-F149 PolarHBondContact N-O 2.47Å; F149-F188 AromaticContact CZ-CD2 3.94Å; F149-F188 HydrophobicContact CZ-CD2 3.94Å; F149-F188 HydrophobicContact CZ-CE2 4.13Å; F149-S191 WeakPolarHBondContact CE2-OG 3.44Å; F149-F192 HydrophobicContact CD1-CD2 4.24Å; F149-F192 HydrophobicContact CE1-CB 4.48Å; F149-F192 AromaticContact CE1-CD2 3.87Å; F149-F192 HydrophobicContact CE1-CD2 3.87Å; F149-F192 HydrophobicContact CE2-CB 4.31Å; F149-F192 HydrophobicContact CZ-CB 4.01Å; F149-F192 HydrophobicContact CZ-CD2 4.25Å; F149-F192 HydrophobicContact CZ-CG 4.47Å; F149-L197 HydrophobicContact CB-CD1 4.01Å; F149-L197 HydrophobicContact CD1-CD1 3.88Å; F149-L197 HydrophobicContact CG-CD1 4.33Å
150N93.6Very high84.7Confident29 Ų2944.9 Ų44.916%0.15523%0.231CC..EExtended strand (participates in β ladder)trans-105.7130.1-176.8-158.4-18.7000109.1R11 N124 S125 F126R11-N150 PolarHBondContact NH2-ND2 3.47Å; N124-N150 PolarHBondContact O-OD1 3.01Å; S125-N150 WeakPolarHBondContact CA-OD1 3.32Å; F126-N150 PolarHBondContact N-OD1 3.29Å
151Q93Very high83Confident10 Ų1042 Ų425%0.04723%0.234CC..  trans-66.2171.1173.478.2-172.6-40.900111.3Y15 M123 N124 P182 G184 D187Y15-Q151 PolarHBondContact OH-O 3.47Å; M123-Q151 HydrophobicContact CE-CB 3.44Å; M123-Q151 VanDerWaalsContact CE-CB 3.44Å; M123-Q151 HydrophobicContact CE-CG 4.3Å; M123-Q151 VanDerWaalsContact CE-OE1 3.25Å; M123-Q151 HydrophobicContact CG-CB 4.33Å; N124-Q151 WeakPolarHBondContact O-CG 3.21Å; N124-Q151 PolarHBondContact O-N 3.37Å; Q151-P182 VanDerWaalsContact CD-CB 3.45Å; Q151-P182 HydrophobicContact CG-CB 4.07Å; Q151-G184 PolarHBondContact OE1-O 3.1Å; Q151-D187 WeakPolarHBondContact CA-OD2 3.36Å; Q151-D187 WeakPolarHBondContact CB-OD2 3.34Å
152S90.4Very high80.8Confident15 Ų1545.5 Ų45.511%0.10524%0.235CC..  trans-66163.2178.9-58.10000112.8Y15 P183 D187Y15-S152 VanDerWaalsContact CE1-CA 3.47Å; S152-P183 WeakPolarHBondContact O-CD 3.49Å; S152-D187 WeakPolarHBondContact CB-OD1 3.38Å; S152-D187 WeakPolarHBondContact CB-OD2 3.49Å; S152-D187 PolarHBondContact N-OD2 3.26Å; S152-D187 PolarHBondContact OG-OD1 2.92Å; S152-D187 PolarHBondContact OG-OD2 3.44Å
153C85.6Confident78.5Confident11 Ų1148.2 Ų48.27%0.07425%0.248CC..  trans-125.1119.6-179.8-173.80000108.7Y15 F126 W180Y15-C153 HydrophobicContact CD2-CB 3.91Å; Y15-C153 HydrophobicContact CE2-CB 3.91Å; F126-C153 HydrophobicContact CD1-CB 4.31Å; C153-W180 WeakPolarHBondContact SG-CB 3.42Å
154C82.7Confident76.4Confident3 Ų353.7 Ų53.72%0.0227%0.272CS..EExtended strand (participates in β ladder)trans-114.8151.6-179.3-73.70000110.8F19 W180 Y181 P183F19-C154 HydrophobicContact CD2-CB 3.96Å; C154-W180 CarbonylContact O-C 3.56Å; C154-W180 VanDerWaalsContact O-CA 3.24Å; C154-W180 WeakPolarHBondContact O-CA 3.41Å; C154-Y181 HydrophobicContact CB-CD1 4.48Å; C154-Y181 HydrophobicContact CB-CD2 4.09Å; C154-Y181 HydrophobicContact CB-CE1 4.02Å; C154-Y181 HydrophobicContact CB-CE2 3.56Å; C154-Y181 PolarHBondContact N-O 3.22Å; C154-Y181 WeakPolarHBondContact O-CD1 3.45Å; C154-Y181 PolarHBondContact O-N 3.03Å; C154-P183 HydrophobicContact CB-CB 4.48Å
155C79.4Confident74.1Confident9 Ų958.1 Ų58.16%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-92.3143.6177.669.10000111.4F19 A168 R179 W180 Y181F19-C155 WeakPolarHBondContact CE2-O 3.49Å; F19-C155 WeakPolarHBondContact CZ-SG 3.33Å; C155-A168 VanDerWaalsContact SG-CB 3.55Å; C155-R179 WeakPolarHBondContact CA-O 3.26Å; C155-W180 HydrophobicContact CB-CE3 3.79Å; C155-W180 HydrophobicContact CB-CH2 4.2Å; C155-W180 HydrophobicContact CB-CZ3 3.59Å; C155-Y181 WeakPolarHBondContact O-CE1 3.23Å
156Y77.6Confident72.1Confident28 Ų2859 Ų5911%0.1130%0.297CS..PPolyproline II helixtrans-65147.5171.7-71.6-73.5000111.5L169 C178 R179 W180 Y181 K315 L317 V323 Q325Y156-L169 VanDerWaalsContact CB-CD1 3.42Å; Y156-L169 HydrophobicContact CG-CD1 4.4Å; Y156-L169 PolarHBondContact O-N 3.35Å; Y156-C178 WeakPolarHBondContact CD2-O 3.35Å; Y156-R179 WeakPolarHBondContact CD2-O 3.42Å; Y156-R179 PolarHBondContact N-O 3.37Å; Y156-R179 VanDerWaalsContact N-O 3.14Å; Y156-W180 WeakPolarHBondContact CE2-O 3.37Å; Y156-Y181 AromaticContact CD1-CD1 3.55Å; Y156-Y181 HydrophobicContact CD1-CD1 3.55Å; Y156-Y181 HydrophobicContact CD1-CE1 4.02Å; Y156-Y181 HydrophobicContact CD1-CG 4.43Å; Y156-Y181 HydrophobicContact CD2-CD1 4.12Å; Y156-Y181 AromaticContact CE1-CD1 3.7Å; Y156-Y181 HydrophobicContact CE1-CD1 3.7Å; Y156-Y181 HydrophobicContact CE1-CE1 4.49Å; Y156-Y181 HydrophobicContact CE1-CG 4.15Å; Y156-Y181 HydrophobicContact CE2-CD1 4.23Å; Y156-Y181 AromaticContact CG-CD1 3.77Å; Y156-Y181 HydrophobicContact CG-CD1 3.77Å; Y156-Y181 HydrophobicContact CG-CE1 4.3Å; Y156-K315 HydrophobicContact CE1-CD 4.49Å; Y156-L317 HydrophobicContact CD2-CD2 4.35Å; Y156-L317 HydrophobicContact CE2-CD2 4.2Å; Y156-V323 HydrophobicContact CD1-CB 4.16Å; Y156-V323 HydrophobicContact CD1-CG2 3.63Å; Y156-V323 HydrophobicContact CE1-CG2 4.11Å; Y156-V323 HydrophobicContact CG-CB 4.38Å; Y156-V323 HydrophobicContact CG-CG2 4.13Å; Y156-Q325 HydrophobicContact CD1-CB 4.18Å; Y156-Q325 HydrophobicContact CE1-CB 3.95Å; Y156-Q325 HydrophobicContact CE1-CG 4.09Å
157F73.2Confident70.2Confident8 Ų859.9 Ų59.94%0.03530%0.299CS..EExtended strand (participates in β ladder)trans-96.6125.7169.4-62.4-86.5000109.7F19 F23 M166 V323 L324 L326F19-F157 HydrophobicContact CD2-CZ 4.37Å; F19-F157 HydrophobicContact CE1-CE1 4.13Å; F19-F157 AromaticContact CE1-CZ 3.85Å; F19-F157 HydrophobicContact CE1-CZ 3.85Å; F19-F157 HydrophobicContact CE2-CD2 4.47Å; F19-F157 HydrophobicContact CE2-CE1 4.13Å; F19-F157 AromaticContact CE2-CE2 3.45Å; F19-F157 HydrophobicContact CE2-CE2 3.45Å; F19-F157 VanDerWaalsContact CE2-CE2 3.45Å; F19-F157 AromaticContact CE2-CZ 3.25Å; F19-F157 HydrophobicContact CE2-CZ 3.25Å; F19-F157 HydrophobicContact CZ-CD1 4.36Å; F19-F157 AromaticContact CZ-CE1 3.39Å; F19-F157 HydrophobicContact CZ-CE1 3.39Å; F19-F157 AromaticContact CZ-CE2 3.62Å; F19-F157 HydrophobicContact CZ-CE2 3.62Å; F19-F157 AromaticContact CZ-CZ 2.94Å; F19-F157 HydrophobicContact CZ-CZ 2.94Å; F23-F157 HydrophobicContact CB-CZ 4.31Å; F23-F157 HydrophobicContact CD2-CD1 4.41Å; F23-F157 AromaticContact CD2-CE1 3.4Å; F23-F157 HydrophobicContact CD2-CE1 3.4Å; F23-F157 VanDerWaalsContact CD2-CE1 3.4Å; F23-F157 AromaticContact CD2-CE2 3.92Å; F23-F157 HydrophobicContact CD2-CE2 3.92Å; F23-F157 AromaticContact CD2-CZ 3.07Å; F23-F157 HydrophobicContact CD2-CZ 3.07Å; F23-F157 AromaticContact CE2-CD1 3.94Å; F23-F157 HydrophobicContact CE2-CD1 3.94Å; F23-F157 AromaticContact CE2-CE1 3.25Å; F23-F157 HydrophobicContact CE2-CE1 3.25Å; F23-F157 HydrophobicContact CE2-CE2 4.29Å; F23-F157 AromaticContact CE2-CZ 3.45Å; F23-F157 HydrophobicContact CE2-CZ 3.45Å; F23-F157 VanDerWaalsContact CE2-CZ 3.45Å; F23-F157 HydrophobicContact CG-CE1 4.22Å; F23-F157 AromaticContact CG-CZ 3.9Å; F23-F157 HydrophobicContact CG-CZ 3.9Å; F23-F157 HydrophobicContact CZ-CE1 4.01Å; F157-M166 HydrophobicContact CB-SD 3.97Å; F157-M166 HydrophobicContact CD1-CB 4.16Å; F157-M166 HydrophobicContact CD1-SD 3.94Å; F157-M166 HydrophobicContact CG-SD 4.09Å; F157-V323 CarbonylContact O-C 3.57Å; F157-V323 WeakPolarHBondContact O-CA 3.49Å; F157-V323 VanDerWaalsContact O-CB 3.31Å; F157-V323 WeakPolarHBondContact O-CB 3.4Å; F157-L324 HydrophobicContact CB-CB 4.29Å; F157-L324 PolarHBondContact N-O 3.39Å; F157-L324 PolarHBondContact O-N 3.47Å; F157-L326 HydrophobicContact CD2-CD1 4.43Å; F157-L326 HydrophobicContact CD2-CG 4.41Å; F157-L326 HydrophobicContact CE2-CD1 3.65Å; F157-L326 HydrophobicContact CE2-CG 3.98Å; F157-L326 HydrophobicContact CZ-CD1 4.25Å
158A65.7Low68.4Low5 Ų558.7 Ų58.74%0.04130%0.299CS..EExtended strand (participates in β ladder)trans-77.6128.1171.100000110.6A160 L167 L169 I321A158-A160 PolarHBondContact O-N 2.9Å; A158-L167 PolarHBondContact N-O 3.33Å; A158-L169 HydrophobicContact CB-CD2 4.48Å; A158-L169 HydrophobicContact CB-CG 4.2Å; A158-I321 HydrophobicContact CB-CG2 4.06Å
159L63.2Low66.6Low70 Ų7057 Ų5737%0.36629%0.289SS..  trans-80.372.6165.6-68.4172000108T161 E322 L324L159-T161 PolarHBondContact O-N 3.43Å; L159-E322 HydrophobicContact CB-CB 4.2Å; L159-E322 HydrophobicContact CD1-CB 4.37Å; L159-E322 PolarHBondContact N-O 2.98Å; L159-L324 HydrophobicContact CD1-CD2 3.86Å; L159-L324 HydrophobicContact CD1-CG 3.95Å; L159-L324 HydrophobicContact CD2-CD1 3.86Å; L159-L324 HydrophobicContact CD2-CG 3.92Å; L159-L324 HydrophobicContact CG-CD1 4.44Å; L159-L324 HydrophobicContact CG-CD2 4.42Å; L159-L324 HydrophobicContact CG-CG 3.94Å
160A54.4Low64.8Low40 Ų4058.3 Ų58.333%0.33130%0.301SS..  trans-71.4101.9175.900000109.1A158 R162 L163A158-A160 PolarHBondContact O-N 2.9Å; A160-R162 PolarHBondContact O-N 3.42Å; A160-L163 HydrophobicContact CB-CB 4.14Å; A160-L163 PolarHBondContact O-N 3.24Å; A160-L163 VanDerWaalsContact O-N 3.12Å
161T48.3Very low62.8Low132 Ų13263 Ų6381%0.8133%0.326SS*.THydrogen-bonded Turntrans-57.7-5.9177.9470000114.9L159L159-T161 PolarHBondContact O-N 3.43Å
162R42.8Very low60.9Low240 Ų24066.4 Ų66.491%0.90634%0.34SS*.THydrogen-bonded Turntrans-118.7-9.2177.9-72.9-173175.5173.7-0.7115.8A160A160-R162 PolarHBondContact O-N 3.42Å
163L41.1Very low59Low94 Ų9473.9 Ų73.949%0.49238%0.379SS..  trans-120.3116.6175-75.4160.2000106A160 N165 L167A160-L163 HydrophobicContact CB-CB 4.14Å; A160-L163 PolarHBondContact O-N 3.24Å; A160-L163 VanDerWaalsContact O-N 3.12Å; L163-N165 HydrophobicContact CB-CB 4.41Å; L163-N165 PolarHBondContact O-N 3.48Å; L163-L167 HydrophobicContact CD1-CD1 4.04Å
164K42.4Very low57.3Low221 Ų22175.1 Ų75.196%0.96139%0.388SS*.SBendtrans-61.920.2168.3-71.1-177.9173.7-179.30113.1
165N45.2Very low56Low102 Ų10279 Ų7955%0.54542%0.415SS..SBendtrans-118116.7-177-62-8.8000108L163 L167L163-N165 HydrophobicContact CB-CB 4.41Å; L163-N165 PolarHBondContact O-N 3.48Å; N165-L167 PolarHBondContact O-N 2.91Å
166M52.5Low54.8Low79 Ų7981 Ų8139%0.38943%0.429SS..  trans-68.6100.9165.8-73.2-141.3-112.200108.6F23 F26 F157F23-M166 HydrophobicContact CE2-CE 3.54Å; F23-M166 HydrophobicContact CE2-SD 4.13Å; F23-M166 HydrophobicContact CZ-CE 3.71Å; F23-M166 HydrophobicContact CZ-SD 4.46Å; F26-M166 HydrophobicContact CE1-CE 3.84Å; F157-M166 HydrophobicContact CB-SD 3.97Å; F157-M166 HydrophobicContact CD1-CB 4.16Å; F157-M166 HydrophobicContact CD1-SD 3.94Å; F157-M166 HydrophobicContact CG-SD 4.09Å
167L55.6Low53.9Low59 Ų5984.9 Ų84.931%0.30945%0.451SS..EExtended strand (participates in β ladder)trans-89.6125.4173.9-81.2148.1000109.1A158 L163 N165 L169 L171 F172A158-L167 PolarHBondContact N-O 3.33Å; L163-L167 HydrophobicContact CD1-CD1 4.04Å; N165-L167 PolarHBondContact O-N 2.91Å; L167-L169 PolarHBondContact O-N 2.95Å; L167-L171 HydrophobicContact CD2-CD1 3.43Å; L167-L171 VanDerWaalsContact CD2-CD1 3.43Å; L167-F172 HydrophobicContact CB-CE2 4.31Å
168A58.7Low53.3Low30 Ų3086.6 Ų86.625%0.24846%0.464CS..EExtended strand (participates in β ladder)trans-57.5126168.300000109.2C155 A170 L171C155-A168 VanDerWaalsContact SG-CB 3.55Å; A168-A170 PolarHBondContact O-N 3.46Å; A168-L171 PolarHBondContact O-N 3.42Å; A168-L171 VanDerWaalsContact O-N 3.09Å
169L58.5Low53.6Low3 Ų388.9 Ų88.92%0.01647%0.472CS..G310 helixtrans-61.3-13.3-178.8-92.1161.5000114Y156 A158 L167 L171 F172 L317 I321 V323Y156-L169 VanDerWaalsContact CB-CD1 3.42Å; Y156-L169 HydrophobicContact CG-CD1 4.4Å; Y156-L169 PolarHBondContact O-N 3.35Å; A158-L169 HydrophobicContact CB-CD2 4.48Å; A158-L169 HydrophobicContact CB-CG 4.2Å; L167-L169 PolarHBondContact O-N 2.95Å; L169-L171 PolarHBondContact O-N 3.18Å; L169-F172 HydrophobicContact CD2-CB 4.18Å; L169-F172 HydrophobicContact CD2-CD2 3.66Å; L169-F172 HydrophobicContact CD2-CE2 4.24Å; L169-F172 HydrophobicContact CD2-CG 4.04Å; L169-F172 HydrophobicContact CG-CD2 4.42Å; L169-F172 PolarHBondContact O-N 3.1Å; L169-L317 HydrophobicContact CD1-CD1 3.63Å; L169-I321 HydrophobicContact CD2-CD1 4.38Å; L169-V323 HydrophobicContact CD1-CB 4.28Å; L169-V323 HydrophobicContact CD1-CG1 3.25Å
170A55.9Low54.5Low36 Ų3688.7 Ų88.730%0.29847%0.466SS..G310 helixtrans-50.6-27.4170.400000112.9A168 R179 W180A168-A170 PolarHBondContact O-N 3.46Å; A170-R179 PolarHBondContact O-NH1 3.15Å; A170-W180 HydrophobicContact CB-CH2 4.26Å; A170-W180 HydrophobicContact CB-CZ2 4.22Å
171L52Low56.1Low129 Ų12986.8 Ų86.868%0.67545%0.45SS*.G310 helixtrans-79.6-11.1179.4-62.9171.2000114.6L167 A168 L169L167-L171 HydrophobicContact CD2-CD1 3.43Å; L167-L171 VanDerWaalsContact CD2-CD1 3.43Å; A168-L171 PolarHBondContact O-N 3.42Å; A168-L171 VanDerWaalsContact O-N 3.09Å; L169-L171 PolarHBondContact O-N 3.18Å
172F52.8Low58.1Low81 Ų8181.8 Ų81.836%0.35542%0.42SS..SBendtrans-97142.3-179.1-69.4-95.2000112.1L167 L169 C174 R179L167-F172 HydrophobicContact CB-CE2 4.31Å; L169-F172 HydrophobicContact CD2-CB 4.18Å; L169-F172 HydrophobicContact CD2-CD2 3.66Å; L169-F172 HydrophobicContact CD2-CE2 4.24Å; L169-F172 HydrophobicContact CD2-CG 4.04Å; L169-F172 HydrophobicContact CG-CD2 4.42Å; L169-F172 PolarHBondContact O-N 3.1Å; F172-C174 PolarHBondContact O-N 2.92Å; F172-R179 PolarHBondContact O-NE 2.72Å; F172-R179 PolarHBondContact O-NH1 2.86Å; F172-R179 PolarHBondContact O-NH2 3.04Å; F172-R179 VanDerWaalsContact O-NH2 3.08Å
173N52Low60.4Low171 Ų17170.4 Ų70.491%0.91438%0.377SS*.  trans-73.362.2175.4-92.2-15.9000112.8
174C49.9Very low62.8Low38 Ų3866.4 Ų66.426%0.25736%0.358SS..  trans-104.2159.9172.2-64.40000111.3F172 S176 R179F172-C174 PolarHBondContact O-N 2.92Å; C174-S176 PolarHBondContact O-N 2.81Å; C174-R179 HydrophobicContact CB-CG 4.44Å; C174-R179 PolarHBondContact O-NE 2.92Å; C174-R179 PolarHBondContact O-NH2 3.15Å
175S55Low65.2Low84 Ų8458.7 Ų58.759%0.58733%0.326SS*.  trans-53.9143173.855.80000110.9N177 C178S175-N177 PolarHBondContact O-N 3.3Å; S175-C178 PolarHBondContact O-N 2.98Å; S175-C178 VanDerWaalsContact O-N 3.13Å; S175-C178 PolarHBondContact OG-SG 3.04Å
176S53.8Low67.5Low52 Ų5253.9 Ų53.936%0.36430%0.3SS..G310 helixtrans-53.5-35.6-167.756.20000114C174 C178 W180C174-S176 PolarHBondContact O-N 2.81Å; S176-C178 VanDerWaalsContact C-N 3.34Å; S176-C178 PolarHBondContact O-N 3.38Å; S176-W180 VanDerWaalsContact O-CD1 3.3Å
177N57.8Low69.5Low108 Ų10850.7 Ų50.758%0.57828%0.284SS*.G310 helixtrans-78.5-18.1-172.5-65.22.8000113.2S175 R179S175-N177 PolarHBondContact O-N 3.3Å; N177-R179 VanDerWaalsContact C-N 3.33Å
178C61Low71.4Confident44 Ų4447.9 Ų47.930%0.29727%0.269SS..G310 helixtrans-85.2-5.9179.4-62.10000113.1Y156 S175 S176Y156-C178 WeakPolarHBondContact CD2-O 3.35Å; S175-C178 PolarHBondContact O-N 2.98Å; S175-C178 VanDerWaalsContact O-N 3.13Å; S175-C178 PolarHBondContact OG-SG 3.04Å; S176-C178 VanDerWaalsContact C-N 3.34Å; S176-C178 PolarHBondContact O-N 3.38Å
179R72.2Confident73.2Confident54 Ų5446.4 Ų46.420%0.20426%0.258CS..SBendtrans-94-21.8-174.4-56.3-173.6-164.6-1721.7113.8C155 Y156 A170 F172 C174 N177C155-R179 WeakPolarHBondContact CA-O 3.26Å; Y156-R179 WeakPolarHBondContact CD2-O 3.42Å; Y156-R179 PolarHBondContact N-O 3.37Å; Y156-R179 VanDerWaalsContact N-O 3.14Å; A170-R179 PolarHBondContact O-NH1 3.15Å; F172-R179 PolarHBondContact O-NE 2.72Å; F172-R179 PolarHBondContact O-NH1 2.86Å; F172-R179 PolarHBondContact O-NH2 3.04Å; F172-R179 VanDerWaalsContact O-NH2 3.08Å; C174-R179 HydrophobicContact CB-CG 4.44Å; C174-R179 PolarHBondContact O-NE 2.92Å; C174-R179 PolarHBondContact O-NH2 3.15Å; N177-R179 VanDerWaalsContact C-N 3.33Å
180W82.4Confident74.8Confident65 Ų6548.3 Ų48.325%0.24627%0.267CS..EExtended strand (participates in β ladder)trans-123.2154.8-168.5-55.299.7000111.8W12 F126 C153 C154 C155 Y156 A170 S176W12-W180 HydrophobicContact CE3-CH2 4.33Å; W12-W180 HydrophobicContact CH2-CD2 4.34Å; W12-W180 HydrophobicContact CH2-CE3 4.44Å; W12-W180 HydrophobicContact CH2-CH2 4.02Å; W12-W180 AromaticContact CH2-CZ2 3.86Å; W12-W180 HydrophobicContact CH2-CZ2 3.86Å; W12-W180 HydrophobicContact CH2-CZ3 4.3Å; W12-W180 HydrophobicContact CZ3-CD2 4.41Å; W12-W180 HydrophobicContact CZ3-CE3 4.06Å; W12-W180 AromaticContact CZ3-CH2 3.54Å; W12-W180 HydrophobicContact CZ3-CH2 3.54Å; W12-W180 AromaticContact CZ3-CZ2 3.88Å; W12-W180 HydrophobicContact CZ3-CZ2 3.88Å; W12-W180 AromaticContact CZ3-CZ3 3.62Å; W12-W180 HydrophobicContact CZ3-CZ3 3.62Å; F126-W180 HydrophobicContact CE1-CB 4.27Å; F126-W180 HydrophobicContact CE2-CB 4.38Å; F126-W180 HydrophobicContact CZ-CB 3.86Å; C153-W180 WeakPolarHBondContact SG-CB 3.42Å; C154-W180 CarbonylContact O-C 3.56Å; C154-W180 VanDerWaalsContact O-CA 3.24Å; C154-W180 WeakPolarHBondContact O-CA 3.41Å; C155-W180 HydrophobicContact CB-CE3 3.79Å; C155-W180 HydrophobicContact CB-CH2 4.2Å; C155-W180 HydrophobicContact CB-CZ3 3.59Å; Y156-W180 WeakPolarHBondContact CE2-O 3.37Å; A170-W180 HydrophobicContact CB-CH2 4.26Å; A170-W180 HydrophobicContact CB-CZ2 4.22Å; S176-W180 VanDerWaalsContact O-CD1 3.3Å
181Y87.2Confident76.6Confident1 Ų146.9 Ų46.90%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-143.5152.917566.4-98.2000111.3C154 C155 Y156 P183 Q325 L326C154-Y181 HydrophobicContact CB-CD1 4.48Å; C154-Y181 HydrophobicContact CB-CD2 4.09Å; C154-Y181 HydrophobicContact CB-CE1 4.02Å; C154-Y181 HydrophobicContact CB-CE2 3.56Å; C154-Y181 PolarHBondContact N-O 3.22Å; C154-Y181 WeakPolarHBondContact O-CD1 3.45Å; C154-Y181 PolarHBondContact O-N 3.03Å; C155-Y181 WeakPolarHBondContact O-CE1 3.23Å; Y156-Y181 AromaticContact CD1-CD1 3.55Å; Y156-Y181 HydrophobicContact CD1-CD1 3.55Å; Y156-Y181 HydrophobicContact CD1-CE1 4.02Å; Y156-Y181 HydrophobicContact CD1-CG 4.43Å; Y156-Y181 HydrophobicContact CD2-CD1 4.12Å; Y156-Y181 AromaticContact CE1-CD1 3.7Å; Y156-Y181 HydrophobicContact CE1-CD1 3.7Å; Y156-Y181 HydrophobicContact CE1-CE1 4.49Å; Y156-Y181 HydrophobicContact CE1-CG 4.15Å; Y156-Y181 HydrophobicContact CE2-CD1 4.23Å; Y156-Y181 AromaticContact CG-CD1 3.77Å; Y156-Y181 HydrophobicContact CG-CD1 3.77Å; Y156-Y181 HydrophobicContact CG-CE1 4.3Å; Y181-P183 HydrophobicContact CE2-CB 4.34Å; Y181-Q325 HydrophobicContact CD1-CB 4.49Å; Y181-Q325 HydrophobicContact CD1-CG 3.74Å; Y181-Q325 HydrophobicContact CD2-CG 3.27Å; Y181-Q325 VanDerWaalsContact CD2-NE2 3.31Å; Y181-Q325 HydrophobicContact CE1-CB 4.37Å; Y181-Q325 HydrophobicContact CE1-CG 3.81Å; Y181-Q325 HydrophobicContact CE2-CG 3.4Å; Y181-Q325 VanDerWaalsContact CE2-CG 3.4Å; Y181-Q325 HydrophobicContact CG-CG 3.45Å; Y181-Q325 VanDerWaalsContact CG-CG 3.45Å; Y181-L326 WeakPolarHBondContact CE2-O 3.45Å; Y181-L326 PolarHBondContact OH-N 2.92Å; Y181-L326 PolarHBondContact OH-O 3.45Å
182P91.1Very high78.7Confident27 Ų2740.7 Ų40.718%0.17522%0.222CC..  trans-75.4131.116728.9-30.7000110.5Q151 G184 Q325Q151-P182 VanDerWaalsContact CD-CB 3.45Å; Q151-P182 HydrophobicContact CG-CB 4.07Å; P182-G184 PolarHBondContact O-N 2.88Å; P182-Q325 PolarHBondContact O-NE2 2.78Å
183P91.2Very high80.7Confident1 Ų140.5 Ų40.51%0.00622%0.219CC..  trans-74.334.8-173.230.2-34.7000115L22 S152 C154 Y181 D187 E327 T328L22-P183 HydrophobicContact CD1-CB 4.02Å; S152-P183 WeakPolarHBondContact O-CD 3.49Å; C154-P183 HydrophobicContact CB-CB 4.48Å; Y181-P183 HydrophobicContact CE2-CB 4.34Å; P183-D187 HydrophobicContact CG-CB 3.73Å; P183-E327 WeakPolarHBondContact O-CA 3.36Å; P183-T328 PolarHBondContact O-N 2.84Å; P183-T328 VanDerWaalsContact O-N 3.1Å
184G92Very high82.5Confident9 Ų934.7 Ų34.79%0.09319%0.192CC..  trans76.8176.5-17700000112.9Q151 P182 G186Q151-G184 PolarHBondContact OE1-O 3.1Å; P182-G184 PolarHBondContact O-N 2.88Å; G184-G186 VanDerWaalsContact C-N 3.26Å; G184-G186 PolarHBondContact O-N 2.88Å
185H93.1Very high84.6Confident60 Ų6035 Ų3528%0.27820%0.195SC..G310 helixtrans-76.7-11-176.553.395.6000113.5L74 D187 F188 T328 A329 A330L74-H185 HydrophobicContact CD1-CB 3.82Å; L74-H185 HydrophobicContact CD2-CB 4.34Å; H185-D187 PolarHBondContact O-N 3.4Å; H185-F188 WeakPolarHBondContact O-CB 3.5Å; H185-F188 PolarHBondContact O-N 3.38Å; H185-T328 PolarHBondContact N-O 3.2Å; H185-A329 VanDerWaalsContact CE1-CA 3.44Å; H185-A329 WeakPolarHBondContact CE1-CA 3.39Å; H185-A330 PolarHBondContact CE1-N 3.17Å; H185-A330 VanDerWaalsContact CE1-N 3.29Å; H185-A330 WeakPolarHBondContact ND1-CB 3.5Å; H185-A330 PolarHBondContact ND1-N 3.04Å
186G93.3Very high86.5Confident0 Ų032.4 Ų32.40%018%0.181CC..G310 helixtrans-67.4-21.3173.900000114G184 F188 Y189 M308 T328G184-G186 VanDerWaalsContact C-N 3.26Å; G184-G186 PolarHBondContact O-N 2.88Å; G186-F188 PolarHBondContact O-N 3.44Å; G186-F188 VanDerWaalsContact O-N 3.08Å; G186-Y189 VanDerWaalsContact O-CD2 3.27Å; G186-Y189 WeakPolarHBondContact O-CD2 3.26Å; G186-M308 WeakPolarHBondContact O-CE 3.48Å; G186-T328 WeakPolarHBondContact CA-O 3.41Å; G186-T328 WeakPolarHBondContact CA-OG1 3.37Å; G186-T328 PolarHBondContact N-O 3.5Å
187D94Very high88.5Confident12 Ų1231 Ų316%0.06417%0.169CC..G310 helixtrans-66.4-7.4172.1178.879.4000113.5Q151 S152 P183 H185 Y189 E190 S191Q151-D187 WeakPolarHBondContact CA-OD2 3.36Å; Q151-D187 WeakPolarHBondContact CB-OD2 3.34Å; S152-D187 WeakPolarHBondContact CB-OD1 3.38Å; S152-D187 WeakPolarHBondContact CB-OD2 3.49Å; S152-D187 PolarHBondContact N-OD2 3.26Å; S152-D187 PolarHBondContact OG-OD1 2.92Å; S152-D187 PolarHBondContact OG-OD2 3.44Å; P183-D187 HydrophobicContact CG-CB 3.73Å; H185-D187 PolarHBondContact O-N 3.4Å; D187-Y189 PolarHBondContact O-N 3.39Å; D187-E190 PolarHBondContact O-N 3.31Å; D187-S191 WeakPolarHBondContact O-CB 3.49Å; D187-S191 PolarHBondContact O-N 2.65Å; D187-S191 PolarHBondContact O-OG 2.95Å; D187-S191 WeakPolarHBondContact OD2-CB 3.49Å; D187-S191 PolarHBondContact OD2-OG 2.87Å
188F96.1Very high90.3Very high0 Ų025.8 Ų25.80%014%0.142CC..Hα-helixtrans-45.3-48.3174167.9-111.1000112.6V72 M123 F149 H185 G186 S191 F192 V211 M292 I297V72-F188 HydrophobicContact CB-CE2 4.4Å; V72-F188 HydrophobicContact CG1-CD2 4.22Å; V72-F188 HydrophobicContact CG1-CE2 3.67Å; V72-F188 HydrophobicContact CG1-CZ 4.4Å; V72-F188 HydrophobicContact CG2-CE2 4.12Å; V72-F188 HydrophobicContact CG2-CZ 4.2Å; M123-F188 HydrophobicContact CE-CB 4.08Å; M123-F188 HydrophobicContact SD-CB 3.71Å; M123-F188 HydrophobicContact SD-CD2 3.88Å; M123-F188 HydrophobicContact SD-CG 4.28Å; F149-F188 AromaticContact CZ-CD2 3.94Å; F149-F188 HydrophobicContact CZ-CD2 3.94Å; F149-F188 HydrophobicContact CZ-CE2 4.13Å; H185-F188 WeakPolarHBondContact O-CB 3.5Å; H185-F188 PolarHBondContact O-N 3.38Å; G186-F188 PolarHBondContact O-N 3.44Å; G186-F188 VanDerWaalsContact O-N 3.08Å; F188-S191 PolarHBondContact O-OG 2.65Å; F188-F192 HydrophobicContact CD2-CB 4.28Å; F188-F192 HydrophobicContact CE2-CB 3.95Å; F188-F192 HydrophobicContact CE2-CD1 4.02Å; F188-F192 AromaticContact CE2-CG 3.99Å; F188-F192 HydrophobicContact CE2-CG 3.99Å; F188-F192 HydrophobicContact CZ-CB 4.38Å; F188-F192 AromaticContact CZ-CD1 3.77Å; F188-F192 HydrophobicContact CZ-CD1 3.77Å; F188-F192 HydrophobicContact CZ-CE1 4.3Å; F188-F192 HydrophobicContact CZ-CG 4.22Å; F188-F192 WeakPolarHBondContact O-CB 3.29Å; F188-F192 PolarHBondContact O-N 3.22Å; F188-V211 HydrophobicContact CD1-CG2 4.38Å; F188-V211 HydrophobicContact CE1-CG2 3.8Å; F188-V211 HydrophobicContact CE2-CG2 4.35Å; F188-V211 HydrophobicContact CZ-CG2 3.78Å; F188-M292 HydrophobicContact CD1-CE 4.17Å; F188-M292 HydrophobicContact CE1-CE 3.66Å; F188-I297 HydrophobicContact CE1-CD1 4.19Å
189Y95.6Very high92Very high0 Ų025.8 Ų25.80%014%0.139CC..Hα-helixtrans-62.5-51.6-174.4-56.7-71.4000112.4G186 D187 Y193 M292 I297 M306 M308 A330 A333 F337G186-Y189 VanDerWaalsContact O-CD2 3.27Å; G186-Y189 WeakPolarHBondContact O-CD2 3.26Å; D187-Y189 PolarHBondContact O-N 3.39Å; Y189-Y193 PolarHBondContact O-N 3.19Å; Y189-Y193 VanDerWaalsContact O-N 3.14Å; Y189-M292 HydrophobicContact CE1-CE 4.23Å; Y189-M292 HydrophobicContact CE1-SD 3.49Å; Y189-M292 WeakPolarHBondContact CE1-SD 3.24Å; Y189-M292 PolarHBondContact OH-SD 2.95Å; Y189-I297 HydrophobicContact CD1-CD1 4.39Å; Y189-I297 HydrophobicContact CD1-CG1 4.06Å; Y189-I297 HydrophobicContact CD1-CG2 3.96Å; Y189-I297 HydrophobicContact CE1-CD1 4.4Å; Y189-I297 HydrophobicContact CE1-CG1 4.21Å; Y189-M306 HydrophobicContact CD1-CE 3.71Å; Y189-M306 HydrophobicContact CD2-CE 4.15Å; Y189-M306 HydrophobicContact CD2-CG 4.25Å; Y189-M306 HydrophobicContact CD2-SD 4.04Å; Y189-M306 HydrophobicContact CE1-CE 4.29Å; Y189-M306 HydrophobicContact CE2-SD 4.35Å; Y189-M306 HydrophobicContact CG-CE 3.64Å; Y189-M306 HydrophobicContact CG-CG 4.46Å; Y189-M306 HydrophobicContact CG-SD 4.15Å; Y189-M308 HydrophobicContact CD2-CE 4.27Å; Y189-M308 HydrophobicContact CD2-SD 4.06Å; Y189-M308 HydrophobicContact CE2-SD 3.95Å; Y189-A330 HydrophobicContact CE2-CB 4.44Å; Y189-A330 PolarHBondContact OH-O 2.96Å; Y189-A333 HydrophobicContact CD2-CB 4.3Å; Y189-A333 HydrophobicContact CE1-CB 4.49Å; Y189-A333 HydrophobicContact CE2-CB 3.41Å; Y189-A333 VanDerWaalsContact CE2-CB 3.41Å; Y189-A333 WeakPolarHBondContact OH-CB 3.46Å; Y189-F337 HydrophobicContact CE1-CE2 4.4Å; Y189-F337 HydrophobicContact CE1-CZ 4.06Å
190E92.8Very high93.2Very high43 Ų4326.8 Ų26.820%0.20115%0.151CC..Hα-helixtrans-68.9-48.2-177.8-60.8-162.1152.400110.8R21 D187 F192 Y193 S194R21-E190 IonicContact CZ-OE1 3.58Å; R21-E190 IonicContact CZ-OE2 3.25Å; R21-E190 IonicContact NH1-OE1 2.98Å; R21-E190 PolarHBondContact NH1-OE1 2.55Å; R21-E190 IonicContact NH2-OE1 2.76Å; R21-E190 PolarHBondContact NH2-OE1 2.68Å; R21-E190 IonicContact NH2-OE2 3.81Å; R21-E190 PolarHBondContact NH2-OE2 3.33Å; D187-E190 PolarHBondContact O-N 3.31Å; E190-F192 VanDerWaalsContact C-N 3.33Å; E190-F192 PolarHBondContact O-N 3.33Å; E190-Y193 PolarHBondContact O-N 3.4Å; E190-S194 WeakPolarHBondContact O-CB 3.41Å; E190-S194 PolarHBondContact O-N 3.42Å; E190-S194 PolarHBondContact O-OG 2.85Å
191S93.2Very high93.9Very high5 Ų524.2 Ų24.24%0.03514%0.141CC..Hα-helixtrans-65.9-34.2-178.856.50000112.7F149 D187 F188 S194 S195F149-S191 WeakPolarHBondContact CE2-OG 3.44Å; D187-S191 WeakPolarHBondContact O-CB 3.49Å; D187-S191 PolarHBondContact O-N 2.65Å; D187-S191 PolarHBondContact O-OG 2.95Å; D187-S191 WeakPolarHBondContact OD2-CB 3.49Å; D187-S191 PolarHBondContact OD2-OG 2.87Å; F188-S191 PolarHBondContact O-OG 2.65Å; S191-S194 PolarHBondContact O-N 3.07Å; S191-S195 WeakPolarHBondContact O-CB 3.43Å; S191-S195 PolarHBondContact O-N 2.92Å
192F95.8Very high94.3Very high0 Ų026.1 Ų26.10%015%0.151CC..Hα-helixtrans-69.2-44.9175.9-174.6-138.8000112.1I121 F149 F188 E190 S194 S195 L197 L198 F201 L294I121-F192 HydrophobicContact CD1-CE2 3.98Å; I121-F192 HydrophobicContact CD1-CZ 4Å; F149-F192 HydrophobicContact CD1-CD2 4.24Å; F149-F192 HydrophobicContact CE1-CB 4.48Å; F149-F192 AromaticContact CE1-CD2 3.87Å; F149-F192 HydrophobicContact CE1-CD2 3.87Å; F149-F192 HydrophobicContact CE2-CB 4.31Å; F149-F192 HydrophobicContact CZ-CB 4.01Å; F149-F192 HydrophobicContact CZ-CD2 4.25Å; F149-F192 HydrophobicContact CZ-CG 4.47Å; F188-F192 HydrophobicContact CD2-CB 4.28Å; F188-F192 HydrophobicContact CE2-CB 3.95Å; F188-F192 HydrophobicContact CE2-CD1 4.02Å; F188-F192 AromaticContact CE2-CG 3.99Å; F188-F192 HydrophobicContact CE2-CG 3.99Å; F188-F192 HydrophobicContact CZ-CB 4.38Å; F188-F192 AromaticContact CZ-CD1 3.77Å; F188-F192 HydrophobicContact CZ-CD1 3.77Å; F188-F192 HydrophobicContact CZ-CE1 4.3Å; F188-F192 HydrophobicContact CZ-CG 4.22Å; F188-F192 WeakPolarHBondContact O-CB 3.29Å; F188-F192 PolarHBondContact O-N 3.22Å; E190-F192 VanDerWaalsContact C-N 3.33Å; E190-F192 PolarHBondContact O-N 3.33Å; F192-S194 VanDerWaalsContact C-N 3.34Å; F192-S194 PolarHBondContact O-N 3.33Å; F192-S195 PolarHBondContact O-N 3.5Å; F192-S195 PolarHBondContact O-OG 2.97Å; F192-L197 HydrophobicContact CD2-CB 3.99Å; F192-L197 HydrophobicContact CE2-CB 3.52Å; F192-L197 HydrophobicContact CE2-CD1 4.46Å; F192-L197 HydrophobicContact CZ-CB 4.5Å; F192-L198 HydrophobicContact CD1-CB 4.11Å; F192-L198 HydrophobicContact CD1-CD1 4.15Å; F192-L198 HydrophobicContact CE1-CB 4.07Å; F192-L198 HydrophobicContact CE1-CD1 3.72Å; F192-L198 HydrophobicContact CE1-CG 4.44Å; F192-L198 HydrophobicContact CG-CB 4.45Å; F192-L198 HydrophobicContact CZ-CB 4.36Å; F192-L198 HydrophobicContact CZ-CD1 4.45Å; F192-F201 HydrophobicContact CE2-CD2 4.22Å; F192-F201 HydrophobicContact CE2-CE2 4.38Å; F192-F201 AromaticContact CZ-CD2 4Å; F192-F201 HydrophobicContact CZ-CD2 4Å; F192-L294 HydrophobicContact CE1-CD2 3.74Å; F192-L294 HydrophobicContact CZ-CD2 4.37Å
193Y94.4Very high94.6Very high77 Ų7731.6 Ų31.630%0.30218%0.179SC..Hα-helixtrans-59.3-47.5171.3174.4-115.8000111.3Y189 E190 S195 G196 L198 V301 V302Y189-Y193 PolarHBondContact O-N 3.19Å; Y189-Y193 VanDerWaalsContact O-N 3.14Å; E190-Y193 PolarHBondContact O-N 3.4Å; Y193-S195 PolarHBondContact O-N 3.17Å; Y193-S195 VanDerWaalsContact O-N 3.17Å; Y193-G196 PolarHBondContact O-N 3.48Å; Y193-L198 HydrophobicContact CD2-CD2 4.09Å; Y193-V301 HydrophobicContact CD1-CG1 3.59Å; Y193-V301 HydrophobicContact CE1-CG1 4.32Å; Y193-V301 HydrophobicContact CG-CG1 3.91Å; Y193-V302 HydrophobicContact CE1-CG2 4.43Å; Y193-V302 HydrophobicContact CE2-CG2 4.08Å
194S91.6Very high94.8Very high48 Ų4834.9 Ų34.934%0.33621%0.206SC..Hα-helixtrans-61.3-25.8-179.7-59.20000114.7K14 E190 S191 F192 G196K14-S194 WeakPolarHBondContact CE-OG 2.8Å; K14-S194 PolarHBondContact NZ-OG 3.06Å; E190-S194 WeakPolarHBondContact O-CB 3.41Å; E190-S194 PolarHBondContact O-N 3.42Å; E190-S194 PolarHBondContact O-OG 2.85Å; S191-S194 PolarHBondContact O-N 3.07Å; F192-S194 VanDerWaalsContact C-N 3.34Å; F192-S194 PolarHBondContact O-N 3.33Å; S194-G196 PolarHBondContact O-N 3.45Å
195S93Very high94.9Very high46 Ų4636.5 Ų36.532%0.32222%0.223SC..THydrogen-bonded Turntrans-74.7-14.7178.574.80000113.3S191 F192 Y193 L197S191-S195 WeakPolarHBondContact O-CB 3.43Å; S191-S195 PolarHBondContact O-N 2.92Å; F192-S195 PolarHBondContact O-N 3.5Å; F192-S195 PolarHBondContact O-OG 2.97Å; Y193-S195 PolarHBondContact O-N 3.17Å; Y193-S195 VanDerWaalsContact O-N 3.17Å; S195-L197 PolarHBondContact O-N 2.79Å; S195-L197 VanDerWaalsContact OG-CB 3.3Å; S195-L197 WeakPolarHBondContact OG-CB 3.44Å; S195-L197 WeakPolarHBondContact OG-CG 3.18Å; S195-L197 PolarHBondContact OG-N 3.29Å
196G94.7Very high95.1Very high29 Ų2934.8 Ų34.830%0.29922%0.215SC..THydrogen-bonded Turntrans73.8-5.6-171.300000114.1Y193 S194 L198 D199 T200Y193-G196 PolarHBondContact O-N 3.48Å; S194-G196 PolarHBondContact O-N 3.45Å; G196-L198 VanDerWaalsContact C-N 3.33Å; G196-L198 PolarHBondContact O-N 3.41Å; G196-D199 PolarHBondContact O-N 3.06Å; G196-T200 PolarHBondContact O-N 3.42Å; G196-T200 PolarHBondContact O-OG1 2.79Å
197L96.2Very high95.3Very high21 Ų2138.7 Ų38.711%0.1123%0.233CC..Hα-helixtrans-67.3-35.2177.4-67.8175.2000111.7I121 H147 F149 F192 S195 D199 T200 F201I121-L197 HydrophobicContact CG2-CD1 4.23Å; H147-L197 HydrophobicContact CB-CD1 4.19Å; H147-L197 HydrophobicContact CB-CD2 4.31Å; F149-L197 HydrophobicContact CB-CD1 4.01Å; F149-L197 HydrophobicContact CD1-CD1 3.88Å; F149-L197 HydrophobicContact CG-CD1 4.33Å; F192-L197 HydrophobicContact CD2-CB 3.99Å; F192-L197 HydrophobicContact CE2-CB 3.52Å; F192-L197 HydrophobicContact CE2-CD1 4.46Å; F192-L197 HydrophobicContact CZ-CB 4.5Å; S195-L197 PolarHBondContact O-N 2.79Å; S195-L197 VanDerWaalsContact OG-CB 3.3Å; S195-L197 WeakPolarHBondContact OG-CB 3.44Å; S195-L197 WeakPolarHBondContact OG-CG 3.18Å; S195-L197 PolarHBondContact OG-N 3.29Å; L197-D199 PolarHBondContact O-N 3.44Å; L197-T200 WeakPolarHBondContact O-CB 3.35Å; L197-T200 PolarHBondContact O-N 3.01Å; L197-F201 HydrophobicContact CB-CD2 4.15Å; L197-F201 HydrophobicContact CB-CE2 3.93Å; L197-F201 HydrophobicContact CD2-CE2 4.27Å; L197-F201 WeakPolarHBondContact O-CD2 3.24Å; L197-F201 PolarHBondContact O-N 2.6Å
198L96.4Very high95.4Very high0 Ų038.5 Ų38.50%023%0.232CC..Hα-helixtrans-56.3-50.217717956.4000111.4F192 Y193 G196 F201 L202 L294 I297 K298F192-L198 HydrophobicContact CD1-CB 4.11Å; F192-L198 HydrophobicContact CD1-CD1 4.15Å; F192-L198 HydrophobicContact CE1-CB 4.07Å; F192-L198 HydrophobicContact CE1-CD1 3.72Å; F192-L198 HydrophobicContact CE1-CG 4.44Å; F192-L198 HydrophobicContact CG-CB 4.45Å; F192-L198 HydrophobicContact CZ-CB 4.36Å; F192-L198 HydrophobicContact CZ-CD1 4.45Å; Y193-L198 HydrophobicContact CD2-CD2 4.09Å; G196-L198 VanDerWaalsContact C-N 3.33Å; G196-L198 PolarHBondContact O-N 3.41Å; L198-F201 PolarHBondContact O-N 3.06Å; L198-L202 HydrophobicContact CD1-CD1 4.08Å; L198-L202 HydrophobicContact CD1-CG 4.36Å; L198-L202 HydrophobicContact CG-CD1 4.1Å; L198-L202 WeakPolarHBondContact O-CB 3.38Å; L198-L202 WeakPolarHBondContact O-CG 3.38Å; L198-L202 PolarHBondContact O-N 3.18Å; L198-L294 HydrophobicContact CD1-CB 3.91Å; L198-L294 HydrophobicContact CD1-CD2 3.71Å; L198-L294 HydrophobicContact CD1-CG 4.35Å; L198-I297 HydrophobicContact CD2-CG2 3.95Å; L198-K298 HydrophobicContact CD2-CB 3.83Å; L198-K298 HydrophobicContact CD2-CG 4.49Å; L198-K298 HydrophobicContact CG-CB 4.47Å
199D96.7Very high95.5Very high44 Ų4438.5 Ų38.524%0.23523%0.232CC..Hα-helixtrans-65.9-38.4176.7-70.5-45.2000112G196 L197 F201 L202 N203 K298G196-D199 PolarHBondContact O-N 3.06Å; L197-D199 PolarHBondContact O-N 3.44Å; D199-F201 VanDerWaalsContact C-N 3.35Å; D199-F201 PolarHBondContact O-N 2.88Å; D199-L202 PolarHBondContact O-N 3.09Å; D199-N203 WeakPolarHBondContact O-CB 3.34Å; D199-N203 PolarHBondContact O-N 2.8Å; D199-N203 PolarHBondContact O-ND2 2.98Å; D199-K298 VanDerWaalsContact OD1-CE 3.26Å; D199-K298 WeakPolarHBondContact OD1-CE 3.44Å; D199-K298 IonicContact OD1-NZ 3.35Å; D199-K298 PolarHBondContact OD1-NZ 3.49Å
200T96.5Very high95.6Very high75 Ų7538.6 Ų38.646%0.4623%0.232SC..Hα-helixtrans-58.3-46.5176.3-57.20000111.5G196 L197 A204G196-T200 PolarHBondContact O-N 3.42Å; G196-T200 PolarHBondContact O-OG1 2.79Å; L197-T200 WeakPolarHBondContact O-CB 3.35Å; L197-T200 PolarHBondContact O-N 3.01Å; T200-A204 WeakPolarHBondContact O-CB 3.39Å; T200-A204 PolarHBondContact O-N 3.49Å
201F97Very high95.9Very high11 Ų1136.5 Ų36.55%0.04822%0.222CC..Hα-helixtrans-74.2-37.5-178.9-71-57.9000112.8V70 P119 I121 H147 F192 L197 L198 D199 N203 A204 G205 K206 L294V70-F201 HydrophobicContact CG1-CB 4.11Å; V70-F201 HydrophobicContact CG1-CD1 3.7Å; V70-F201 HydrophobicContact CG1-CD2 4.28Å; V70-F201 HydrophobicContact CG1-CE1 4.17Å; V70-F201 HydrophobicContact CG1-CG 3.77Å; P119-F201 HydrophobicContact CB-CE1 3.81Å; P119-F201 HydrophobicContact CB-CZ 4.15Å; P119-F201 HydrophobicContact CG-CD1 4.17Å; P119-F201 HydrophobicContact CG-CE1 3.6Å; P119-F201 HydrophobicContact CG-CZ 4.22Å; I121-F201 HydrophobicContact CD1-CD2 3.81Å; I121-F201 HydrophobicContact CD1-CE2 3.23Å; I121-F201 HydrophobicContact CD1-CZ 3.78Å; I121-F201 HydrophobicContact CG1-CE2 3.73Å; I121-F201 HydrophobicContact CG1-CZ 3.88Å; H147-F201 AromaticContact CD2-CZ 3.64Å; H147-F201 AromaticContact NE2-CZ 3.9Å; F192-F201 HydrophobicContact CE2-CD2 4.22Å; F192-F201 HydrophobicContact CE2-CE2 4.38Å; F192-F201 AromaticContact CZ-CD2 4Å; F192-F201 HydrophobicContact CZ-CD2 4Å; L197-F201 HydrophobicContact CB-CD2 4.15Å; L197-F201 HydrophobicContact CB-CE2 3.93Å; L197-F201 HydrophobicContact CD2-CE2 4.27Å; L197-F201 WeakPolarHBondContact O-CD2 3.24Å; L197-F201 PolarHBondContact O-N 2.6Å; L198-F201 PolarHBondContact O-N 3.06Å; D199-F201 VanDerWaalsContact C-N 3.35Å; D199-F201 PolarHBondContact O-N 2.88Å; F201-N203 VanDerWaalsContact C-N 3.33Å; F201-N203 PolarHBondContact O-N 2.93Å; F201-A204 CarbonylContact O-C 3.58Å; F201-A204 PolarHBondContact O-N 2.79Å; F201-A204 VanDerWaalsContact O-N 3.16Å; F201-G205 PolarHBondContact O-N 3.14Å; F201-K206 HydrophobicContact CB-CB 4.03Å; F201-K206 HydrophobicContact CB-CG 4.07Å; F201-K206 HydrophobicContact CD1-CG 4.14Å; F201-K206 VanDerWaalsContact O-CB 3.26Å; F201-K206 WeakPolarHBondContact O-CB 3.42Å; F201-K206 WeakPolarHBondContact O-CG 3.32Å; F201-K206 PolarHBondContact O-N 2.89Å; F201-L294 HydrophobicContact CB-CD1 4.38Å
202L96.7Very high96.1Very high41 Ų4136.3 Ų36.322%0.21522%0.221CC..Hα-helixtrans-59.4-45171.8-75.7169.1000111.2L198 D199 A204 G205 L294 K298L198-L202 HydrophobicContact CD1-CD1 4.08Å; L198-L202 HydrophobicContact CD1-CG 4.36Å; L198-L202 HydrophobicContact CG-CD1 4.1Å; L198-L202 WeakPolarHBondContact O-CB 3.38Å; L198-L202 WeakPolarHBondContact O-CG 3.38Å; L198-L202 PolarHBondContact O-N 3.18Å; D199-L202 PolarHBondContact O-N 3.09Å; L202-A204 PolarHBondContact O-N 3.08Å; L202-G205 PolarHBondContact O-N 3.02Å; L202-L294 HydrophobicContact CD2-CB 3.68Å; L202-L294 HydrophobicContact CG-CB 4.19Å; L202-K298 HydrophobicContact CD1-CB 4.28Å; L202-K298 HydrophobicContact CD1-CD 3.7Å
203N96.7Very high96.1Very high142 Ų14237.8 Ų37.876%0.75923%0.229SC*.Hα-helixtrans-67-25.6176.9-68.7-18.3000112.9D199 F201 G205D199-N203 WeakPolarHBondContact O-CB 3.34Å; D199-N203 PolarHBondContact O-N 2.8Å; D199-N203 PolarHBondContact O-ND2 2.98Å; F201-N203 VanDerWaalsContact C-N 3.33Å; F201-N203 PolarHBondContact O-N 2.93Å; N203-G205 PolarHBondContact O-N 2.93Å
204A94.9Very high96.1Very high69 Ų6934.4 Ų34.457%0.5722%0.216SC*.THydrogen-bonded Turntrans-81.54.9173.400000113.6T200 F201 L202T200-A204 WeakPolarHBondContact O-CB 3.39Å; T200-A204 PolarHBondContact O-N 3.49Å; F201-A204 CarbonylContact O-C 3.58Å; F201-A204 PolarHBondContact O-N 2.79Å; F201-A204 VanDerWaalsContact O-N 3.16Å; L202-A204 PolarHBondContact O-N 3.08Å
205G95.2Very high96.3Very high44 Ų4432.6 Ų32.645%0.45420%0.202SC..THydrogen-bonded Turntrans80.216.4179.500000114.5F201 L202 N203F201-G205 PolarHBondContact O-N 3.14Å; L202-G205 PolarHBondContact O-N 3.02Å; N203-G205 PolarHBondContact O-N 2.93Å
206K96.3Very high96.4Very high24 Ų2430.6 Ų30.610%0.10419%0.188CC..  trans-80.9137.7171.8-52.9-62.4-170.8167.50109.6Q67 L68 L69 V70 D117 F201 L294Q67-K206 WeakPolarHBondContact O-CD 3.27Å; Q67-K206 WeakPolarHBondContact O-CE 3.46Å; Q67-K206 PolarHBondContact O-NZ 3.34Å; L68-K206 CarbonylContact O-C 3.15Å; L68-K206 WeakPolarHBondContact O-CA 3.48Å; L69-K206 PolarHBondContact O-NZ 3.16Å; V70-K206 HydrophobicContact CG1-CB 3.84Å; V70-K206 HydrophobicContact CG1-CD 4.1Å; V70-K206 HydrophobicContact CG1-CG 3.63Å; D117-K206 PolarHBondContact O-NZ 3.44Å; F201-K206 HydrophobicContact CB-CB 4.03Å; F201-K206 HydrophobicContact CB-CG 4.07Å; F201-K206 HydrophobicContact CD1-CG 4.14Å; F201-K206 VanDerWaalsContact O-CB 3.26Å; F201-K206 WeakPolarHBondContact O-CB 3.42Å; F201-K206 WeakPolarHBondContact O-CG 3.32Å; F201-K206 PolarHBondContact O-N 2.89Å; K206-L294 HydrophobicContact CB-CD1 3.85Å
207E96.8Very high96.4Very high82 Ų8229.6 Ų29.638%0.38318%0.176SC..  trans-116.2-28.1-177.9-69.7-171.7-157.700113.7L68 K293 L294L68-E207 HydrophobicContact CB-CB 4.38Å; L68-E207 HydrophobicContact CD2-CG 4.26Å; L68-E207 PolarHBondContact O-N 3.06Å; E207-K293 CarbonylContact O-C 3.57Å; E207-L294 WeakPolarHBondContact O-CB 3.31Å; E207-L294 PolarHBondContact O-N 2.83Å
208Y97.4Very high96.3Very high8 Ų828.9 Ų28.93%0.03117%0.174CC..EExtended strand (participates in β ladder)trans-128.3153.2-172.3-60.4-85.8000111.7L68 L69 V70 M226 M229 I230 M292 K293L68-Y208 HydrophobicContact CB-CD2 4.34Å; L68-Y208 PolarHBondContact O-N 3.26Å; L68-Y208 VanDerWaalsContact O-N 3.1Å; L69-Y208 CarbonylContact C-O 3.52Å; L69-Y208 WeakPolarHBondContact CA-O 3.44Å; V70-Y208 PolarHBondContact N-O 3Å; Y208-M226 HydrophobicContact CD2-CE 4.16Å; Y208-M229 HydrophobicContact CD1-CE 3.53Å; Y208-M229 HydrophobicContact CD1-CG 4.39Å; Y208-M229 HydrophobicContact CD1-SD 3.73Å; Y208-M229 HydrophobicContact CE1-CE 3.78Å; Y208-M229 HydrophobicContact CE1-CG 4.16Å; Y208-M229 HydrophobicContact CE1-SD 4.09Å; Y208-I230 HydrophobicContact CD2-CG1 4.34Å; Y208-I230 HydrophobicContact CE2-CD1 4.38Å; Y208-I230 HydrophobicContact CE2-CG1 3.74Å; Y208-M292 CarbonylContact C-O 3.59Å; Y208-M292 VanDerWaalsContact CA-O 3.29Å; Y208-M292 WeakPolarHBondContact CA-O 3.43Å; Y208-K293 HydrophobicContact CD1-CB 4.24Å; Y208-K293 HydrophobicContact CD1-CG 4.43Å; Y208-K293 HydrophobicContact CE1-CB 4.13Å; Y208-K293 HydrophobicContact CE1-CD 4.48Å; Y208-K293 HydrophobicContact CE1-CG 4.08Å
209C97.3Very high96.3Very high0 Ų029 Ų290%017%0.174CC..EExtended strand (participates in β ladder)trans-124.8145.5167.567.40000112.5V70 V72 W291 M292 L294V70-C209 HydrophobicContact CG2-CB 3.45Å; V70-C209 VanDerWaalsContact CG2-CB 3.45Å; V70-C209 CarbonylContact O-C 3.43Å; V70-C209 VanDerWaalsContact O-CA 3.24Å; V70-C209 WeakPolarHBondContact O-CA 3.34Å; V72-C209 HydrophobicContact CG2-CB 4.21Å; C209-W291 WeakPolarHBondContact O-CA 3.27Å; C209-M292 PolarHBondContact N-O 2.66Å; C209-M292 PolarHBondContact O-N 3.27Å; C209-L294 HydrophobicContact CB-CD2 3.83Å
210F98Very high96.2Very high1 Ų128.5 Ų28.50%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-109.4108.5170.2172.9-127.4000109.7L69 V70 V71 V72 A219 M221 N289 L290 W291L69-F210 HydrophobicContact CD1-CB 4.37Å; L69-F210 HydrophobicContact CD2-CB 4.26Å; V70-F210 PolarHBondContact O-N 3.01Å; V71-F210 HydrophobicContact CG1-CD1 4.36Å; V72-F210 PolarHBondContact N-O 2.84Å; F210-A219 HydrophobicContact CZ-CB 4.06Å; F210-M221 HydrophobicContact CB-SD 4.41Å; F210-M221 HydrophobicContact CD1-SD 3.73Å; F210-M221 HydrophobicContact CE1-SD 4.43Å; F210-M221 HydrophobicContact CG-SD 4.36Å; F210-N289 HydrophobicContact CE2-CB 3.94Å; F210-N289 HydrophobicContact CZ-CB 4.37Å; F210-L290 CarbonylContact C-O 3.56Å; F210-L290 WeakPolarHBondContact CA-O 3.39Å; F210-W291 HydrophobicContact CB-CD2 4.33Å; F210-W291 HydrophobicContact CB-CE3 3.9Å; F210-W291 HydrophobicContact CB-CH2 4.31Å; F210-W291 HydrophobicContact CB-CZ3 3.89Å; F210-W291 HydrophobicContact CD1-CH2 4.49Å; F210-W291 AromaticContact CD2-CD2 3.65Å; F210-W291 HydrophobicContact CD2-CD2 3.65Å; F210-W291 AromaticContact CD2-CE2 3.39Å; F210-W291 HydrophobicContact CD2-CE3 4.05Å; F210-W291 HydrophobicContact CD2-CG 4.19Å; F210-W291 AromaticContact CD2-CH2 3.99Å; F210-W291 HydrophobicContact CD2-CH2 3.99Å; F210-W291 AromaticContact CD2-CZ2 3.58Å; F210-W291 HydrophobicContact CD2-CZ2 3.58Å; F210-W291 HydrophobicContact CD2-CZ3 4.22Å; F210-W291 AromaticContact CD2-NE1 3.76Å; F210-W291 HydrophobicContact CE2-CD2 4.37Å; F210-W291 AromaticContact CE2-CE2 3.66Å; F210-W291 HydrophobicContact CE2-CH2 4.43Å; F210-W291 AromaticContact CE2-CZ2 3.7Å; F210-W291 HydrophobicContact CE2-CZ2 3.7Å; F210-W291 AromaticContact CE2-NE1 3.74Å; F210-W291 HydrophobicContact CG-CD2 4.3Å; F210-W291 HydrophobicContact CG-CE3 4.24Å; F210-W291 HydrophobicContact CG-CH2 4.02Å; F210-W291 HydrophobicContact CG-CZ2 4.07Å; F210-W291 HydrophobicContact CG-CZ3 4.11Å; F210-W291 HydrophobicContact CZ-CZ2 4.3Å
211V98.1Very high96Very high0 Ų026 Ų260%016%0.156CC..EExtended strand (participates in β ladder)trans-98.9128.7179.4-175.60000110V72 L74 F188 N289 L290 M292V72-V211 HydrophobicContact CB-CB 4.46Å; V72-V211 HydrophobicContact CB-CG2 3.93Å; V72-V211 HydrophobicContact CG1-CG1 4.47Å; V72-V211 HydrophobicContact CG1-CG2 4.34Å; V72-V211 HydrophobicContact CG2-CG2 4.28Å; V72-V211 WeakPolarHBondContact O-CA 3.47Å; L74-V211 HydrophobicContact CD1-CG1 4.06Å; L74-V211 HydrophobicContact CD2-CG1 3.83Å; L74-V211 HydrophobicContact CG-CG1 3.84Å; F188-V211 HydrophobicContact CD1-CG2 4.38Å; F188-V211 HydrophobicContact CE1-CG2 3.8Å; F188-V211 HydrophobicContact CE2-CG2 4.35Å; F188-V211 HydrophobicContact CZ-CG2 3.78Å; V211-N289 CarbonylContact O-C 3.57Å; V211-N289 WeakPolarHBondContact O-CA 3.34Å; V211-L290 HydrophobicContact CB-CB 4.33Å; V211-L290 PolarHBondContact N-O 2.91Å; V211-L290 PolarHBondContact O-N 2.96Å; V211-M292 HydrophobicContact CB-CE 4Å; V211-M292 HydrophobicContact CG2-CE 3.23Å
212S97.7Very high95.8Very high0 Ų025.8 Ų25.80%016%0.156CC..EExtended strand (participates in β ladder)trans-150.5162.917348.40000112V72 K73 L74 A219V72-S212 PolarHBondContact O-N 2.85Å; K73-S212 WeakPolarHBondContact CA-O 3.39Å; K73-S212 WeakPolarHBondContact CD-OG 3.17Å; K73-S212 WeakPolarHBondContact CE-OG 2.87Å; K73-S212 PolarHBondContact NZ-OG 3.38Å; L74-S212 PolarHBondContact N-O 3.35Å; S212-A219 VanDerWaalsContact CB-CB 3.46Å
213N96.7Very high95.4Very high31 Ų3125.3 Ų25.317%0.16616%0.155CC..EExtended strand (participates in β ladder)trans-70.3139.7173.8-62.3-18.1000110.6L74 D215 N216 N288L74-N213 WeakPolarHBondContact CD1-OD1 3.42Å; N213-D215 WeakPolarHBondContact CB-OD1 3.39Å; N213-D215 PolarHBondContact O-N 3.31Å; N213-N216 HydrophobicContact CB-CB 4.3Å; N213-N216 PolarHBondContact O-N 3.48Å; N213-N216 VanDerWaalsContact O-N 3.11Å; N213-N288 PolarHBondContact OD1-ND2 3.34Å
214I95.1Very high95.1Very high6 Ų622.9 Ų22.93%0.03114%0.135CC..THydrogen-bonded Turntrans-64.3-24.3174.4-16558.3000112.6K73 L74 F99 T103 N216K73-I214 HydrophobicContact CB-CB 4.26Å; K73-I214 HydrophobicContact CB-CD1 3.9Å; K73-I214 HydrophobicContact CD-CD1 4.24Å; K73-I214 HydrophobicContact CG-CD1 3.87Å; L74-I214 WeakPolarHBondContact O-CG2 3Å; L74-I214 PolarHBondContact O-N 3.01Å; F99-I214 HydrophobicContact CB-CG1 4.05Å; F99-I214 WeakPolarHBondContact CB-O 3.2Å; F99-I214 WeakPolarHBondContact CD1-O 3.34Å; T103-I214 HydrophobicContact CG2-CD1 4.44Å; T103-I214 VanDerWaalsContact OG1-CD1 3.26Å; T103-I214 WeakPolarHBondContact OG1-CD1 3.4Å; I214-N216 VanDerWaalsContact C-N 3.34Å
215D94.2Very high95Very high10 Ų1019.7 Ų19.75%0.05311%0.109CC..THydrogen-bonded Turntrans-86.90.5177.469.62.8000114.3K88 F99 N213 P352 V353 K354K88-D215 HydrophobicContact CD-CB 3.9Å; K88-D215 VanDerWaalsContact CE-CB 3.5Å; K88-D215 VanDerWaalsContact CE-OD2 3.23Å; K88-D215 WeakPolarHBondContact CE-OD2 3.42Å; K88-D215 HydrophobicContact CG-CB 4.43Å; K88-D215 IonicContact NZ-OD2 2.64Å; K88-D215 PolarHBondContact NZ-OD2 2.76Å; F99-D215 HydrophobicContact CE1-CB 4.28Å; N213-D215 WeakPolarHBondContact CB-OD1 3.39Å; N213-D215 PolarHBondContact O-N 3.31Å; D215-P352 CarbonylContact O-C 3.55Å; D215-P352 WeakPolarHBondContact O-CA 3.06Å; D215-V353 PolarHBondContact O-N 2.97Å; D215-K354 VanDerWaalsContact CG-NZ 3.29Å; D215-K354 IonicContact OD1-NZ 3.74Å; D215-K354 PolarHBondContact OD1-NZ 3.39Å; D215-K354 VanDerWaalsContact OD1-NZ 3.09Å; D215-K354 WeakPolarHBondContact OD2-CD 3.39Å; D215-K354 IonicContact OD2-NZ 2.64Å; D215-K354 PolarHBondContact OD2-NZ 3Å
216N96.2Very high94.8Very high5 Ų517.7 Ų17.73%0.0279%0.087CC..BIsolated β-bridgetrans-95.3100.6170.2-176.47.1000109.7N213 I214 G218 A219 N289 R349 L351N213-N216 HydrophobicContact CB-CB 4.3Å; N213-N216 PolarHBondContact O-N 3.48Å; N213-N216 VanDerWaalsContact O-N 3.11Å; I214-N216 VanDerWaalsContact C-N 3.34Å; N216-G218 VanDerWaalsContact C-N 3.26Å; N216-G218 PolarHBondContact O-N 3.32Å; N216-G218 PolarHBondContact OD1-N 3.05Å; N216-G218 VanDerWaalsContact OD1-N 3.11Å; N216-A219 HydrophobicContact CB-CB 4.1Å; N216-A219 WeakPolarHBondContact O-CB 3.37Å; N216-A219 PolarHBondContact O-N 3.31Å; N216-N289 PolarHBondContact ND2-OD1 2.88Å; N216-R349 PolarHBondContact ND2-O 2.67Å; N216-R349 VanDerWaalsContact ND2-O 3.08Å; N216-L351 PolarHBondContact OD1-N 2.89Å; N216-L351 PolarHBondContact OD1-O 2.64Å
217L94.4Very high94.5Very high8 Ų817.6 Ų17.64%0.0429%0.087CC..THydrogen-bonded Turntrans-74.8-17.9-178.2-66.1166.6000113V93 F99 L102 A219 L351 V353 V362 L374V93-L217 HydrophobicContact CG1-CD1 3.62Å; F99-L217 HydrophobicContact CD1-CD1 4.29Å; F99-L217 HydrophobicContact CD1-CD2 3.56Å; F99-L217 HydrophobicContact CD1-CG 3.92Å; F99-L217 HydrophobicContact CE1-CD1 3.87Å; F99-L217 HydrophobicContact CE1-CD2 4.01Å; F99-L217 HydrophobicContact CE1-CG 3.87Å; L102-L217 HydrophobicContact CD1-CD2 3.61Å; L217-A219 VanDerWaalsContact C-N 3.34Å; L217-L351 HydrophobicContact CB-CD2 4.28Å; L217-L351 PolarHBondContact N-O 3.04Å; L217-V353 HydrophobicContact CD1-CG2 3.67Å; L217-V353 HydrophobicContact CG-CG2 4.45Å; L217-V362 HydrophobicContact CD1-CB 4.37Å; L217-V362 HydrophobicContact CD1-CG1 4.03Å; L217-V362 HydrophobicContact CD1-CG2 4.27Å; L217-L374 HydrophobicContact CB-CD1 4.16Å; L217-L374 HydrophobicContact CD1-CD1 3.64Å; L217-L374 HydrophobicContact CG-CD1 4.39Å
218G94.3Very high94.1Very high6 Ų614.6 Ų14.66%0.0628%0.077CC..THydrogen-bonded Turntrans-81.1-13.7175.500000113.5N216 T220 S348 R349N216-G218 VanDerWaalsContact C-N 3.26Å; N216-G218 PolarHBondContact O-N 3.32Å; N216-G218 PolarHBondContact OD1-N 3.05Å; N216-G218 VanDerWaalsContact OD1-N 3.11Å; G218-T220 PolarHBondContact O-N 3.49Å; G218-S348 WeakPolarHBondContact CA-O 3.31Å; G218-R349 CarbonylContact C-O 3.57Å; G218-R349 VanDerWaalsContact O-CA 3.29Å; G218-R349 WeakPolarHBondContact O-CA 3.33Å
219A95.9Very high93.9Very high2 Ų214.3 Ų14.32%0.0178%0.075CC..  trans-76.667.2-178.900000112.2K73 F210 S212 N216 L217 N289K73-A219 PolarHBondContact NZ-O 3.19Å; F210-A219 HydrophobicContact CZ-CB 4.06Å; S212-A219 VanDerWaalsContact CB-CB 3.46Å; N216-A219 HydrophobicContact CB-CB 4.1Å; N216-A219 WeakPolarHBondContact O-CB 3.37Å; N216-A219 PolarHBondContact O-N 3.31Å; L217-A219 VanDerWaalsContact C-N 3.34Å; A219-N289 VanDerWaalsContact CB-OD1 3.28Å; A219-N289 WeakPolarHBondContact CB-OD1 3.37Å
220T94.2Very high93.6Very high33 Ų3316.4 Ų16.420%0.2029%0.086CC..  trans-91.2164.6176.861.60000111.4G218 D222 R349 T373G218-T220 PolarHBondContact O-N 3.49Å; T220-D222 PolarHBondContact O-N 3.23Å; T220-R349 VanDerWaalsContact O-CZ 3.29Å; T220-R349 PolarHBondContact O-NH1 3.37Å; T220-R349 PolarHBondContact O-NH2 3.49Å; T220-R349 PolarHBondContact OG1-NH1 2.93Å; T220-T373 HydrophobicContact CG2-CG2 3.92Å
221M92.7Very high93.2Very high22 Ų2221.9 Ų21.911%0.10811%0.112CC..  trans-64.7124.1173.8-76.7-51.4-47.200111.8F66 L69 V71 L107 L110 F210 W291F66-M221 HydrophobicContact CD1-CE 4.14Å; F66-M221 HydrophobicContact CE1-CB 4.38Å; F66-M221 HydrophobicContact CE1-CE 3.8Å; F66-M221 HydrophobicContact CZ-CB 4.45Å; L69-M221 HydrophobicContact CD2-CE 2.97Å; L69-M221 HydrophobicContact CD2-SD 3.49Å; L69-M221 WeakPolarHBondContact CD2-SD 3.32Å; L69-M221 HydrophobicContact CG-CE 4.45Å; V71-M221 HydrophobicContact CG2-CG 4.37Å; V71-M221 HydrophobicContact CG2-SD 3.52Å; V71-M221 VanDerWaalsContact CG2-SD 3.52Å; L107-M221 HydrophobicContact CD2-CG 4.45Å; L110-M221 HydrophobicContact CD1-CB 3.6Å; L110-M221 HydrophobicContact CD1-CG 3.65Å; F210-M221 HydrophobicContact CB-SD 4.41Å; F210-M221 HydrophobicContact CD1-SD 3.73Å; F210-M221 HydrophobicContact CE1-SD 4.43Å; F210-M221 HydrophobicContact CG-SD 4.36Å; M221-W291 HydrophobicContact CE-CH2 3.68Å; M221-W291 HydrophobicContact CE-CZ3 3.78Å; M221-W291 HydrophobicContact SD-CH2 4.36Å
222D92.2Very high92.8Very high7 Ų727.1 Ų27.14%0.03714%0.14CC..  trans-116.4106.4176.6-155-52.3000111.9Y49 T220 R224 I225 M226 W291 R349Y49-D222 WeakPolarHBondContact CE2-OD2 3.19Å; Y49-D222 VanDerWaalsContact CZ-OD2 3.25Å; Y49-D222 PolarHBondContact OH-OD2 3.19Å; T220-D222 PolarHBondContact O-N 3.23Å; D222-R224 PolarHBondContact O-N 3.12Å; D222-R224 WeakPolarHBondContact OD1-CB 3.47Å; D222-R224 PolarHBondContact OD1-N 2.87Å; D222-R224 IonicContact OD1-NE 2.82Å; D222-I225 HydrophobicContact CB-CB 4.24Å; D222-I225 HydrophobicContact CB-CD1 3.89Å; D222-I225 HydrophobicContact CB-CG1 3.99Å; D222-I225 PolarHBondContact O-N 3.28Å; D222-M226 PolarHBondContact O-N 2.86Å; D222-W291 HydrophobicContact CB-CH2 4.5Å; D222-W291 HydrophobicContact CB-CZ2 4.29Å; D222-R349 IonicContact OD2-NH1 2.68Å
223P89.8Confident92.5Very high31 Ų3129.3 Ų29.320%0.20116%0.162CC..Hα-helixtrans-66.3-24.3-179.725-32.3000113.2I62 F66 H227I62-P223 HydrophobicContact CB-CB 4.39Å; I62-P223 HydrophobicContact CD1-CB 4.31Å; I62-P223 HydrophobicContact CD1-CG 4.26Å; I62-P223 HydrophobicContact CG1-CB 3.79Å; I62-P223 HydrophobicContact CG1-CG 4.29Å; I62-P223 HydrophobicContact CG2-CB 4.06Å; F66-P223 HydrophobicContact CE1-CB 4.28Å; F66-P223 HydrophobicContact CZ-CB 4.23Å; P223-H227 WeakPolarHBondContact O-CB 3.46Å; P223-H227 PolarHBondContact O-N 3.2Å
224R89.7Confident92.4Very high91 Ų9128.5 Ų28.534%0.34316%0.158SC..Hα-helixtrans-71.3-43.9-179.6-64.6174.3-80.1-155.5-16.9111.6Y49 V57 D222 M226 H227 A228Y49-R224 PolarHBondContact OH-NE 3.07Å; Y49-R224 PolarHBondContact OH-NH2 2.89Å; V57-R224 HydrophobicContact CG2-CG 4.01Å; D222-R224 PolarHBondContact O-N 3.12Å; D222-R224 WeakPolarHBondContact OD1-CB 3.47Å; D222-R224 PolarHBondContact OD1-N 2.87Å; D222-R224 IonicContact OD1-NE 2.82Å; R224-M226 VanDerWaalsContact C-N 3.32Å; R224-H227 PolarHBondContact O-N 3.01Å; R224-A228 WeakPolarHBondContact O-CB 3.45Å; R224-A228 PolarHBondContact O-N 3.04Å
225I92.2Very high92.4Very high3 Ų330 Ų302%0.01517%0.165CC..Hα-helixtrans-64.1-44.5176.7-58.9177.4000109.2Y49 D222 A228 M229 V237 E239 W291 V345Y49-I225 HydrophobicContact CD2-CD1 4.22Å; Y49-I225 HydrophobicContact CD2-CG1 4.06Å; Y49-I225 HydrophobicContact CE2-CD1 4.03Å; Y49-I225 HydrophobicContact CE2-CG1 3.89Å; D222-I225 HydrophobicContact CB-CB 4.24Å; D222-I225 HydrophobicContact CB-CD1 3.89Å; D222-I225 HydrophobicContact CB-CG1 3.99Å; D222-I225 PolarHBondContact O-N 3.28Å; I225-A228 PolarHBondContact O-N 3.31Å; I225-M229 WeakPolarHBondContact O-CB 3.26Å; I225-M229 PolarHBondContact O-N 2.88Å; I225-V237 HydrophobicContact CG2-CG1 4.28Å; I225-E239 HydrophobicContact CD1-CG 4.14Å; I225-W291 HydrophobicContact CB-CZ2 4.31Å; I225-W291 HydrophobicContact CG2-CD2 4.17Å; I225-W291 HydrophobicContact CG2-CG 4.26Å; I225-W291 HydrophobicContact CG2-CZ2 4.32Å; I225-V345 HydrophobicContact CD1-CG1 3.88Å
226M90.8Very high92.5Very high1 Ų129.5 Ų29.51%0.00516%0.162CC..Hα-helixtrans-62.8-45.8179.1-172.8167.5-175.300112.3A65 F66 L68 L69 Y208 D222 R224 M229 I230 W291A65-M226 VanDerWaalsContact C-CE 3.45Å; A65-M226 VanDerWaalsContact C-SD 3.57Å; A65-M226 HydrophobicContact CB-CE 4.05Å; A65-M226 HydrophobicContact CB-CG 3.92Å; A65-M226 HydrophobicContact CB-SD 3.67Å; A65-M226 WeakPolarHBondContact O-CE 3.03Å; A65-M226 VanDerWaalsContact O-SD 3.39Å; F66-M226 HydrophobicContact CD1-SD 4.42Å; L68-M226 HydrophobicContact CB-CE 4.22Å; L69-M226 HydrophobicContact CB-CE 3.84Å; L69-M226 HydrophobicContact CB-SD 4.03Å; L69-M226 HydrophobicContact CD1-CE 3.86Å; L69-M226 HydrophobicContact CD1-SD 3.95Å; L69-M226 HydrophobicContact CD2-SD 4.06Å; L69-M226 HydrophobicContact CG-CE 4.34Å; L69-M226 HydrophobicContact CG-SD 4.24Å; Y208-M226 HydrophobicContact CD2-CE 4.16Å; D222-M226 PolarHBondContact O-N 2.86Å; R224-M226 VanDerWaalsContact C-N 3.32Å; M226-M229 WeakPolarHBondContact O-CB 3.44Å; M226-M229 PolarHBondContact O-N 2.76Å; M226-I230 HydrophobicContact CE-CD1 3.98Å; M226-I230 HydrophobicContact CG-CD1 4.1Å; M226-I230 WeakPolarHBondContact O-CG1 3.42Å; M226-I230 PolarHBondContact O-N 3.5Å; M226-I230 VanDerWaalsContact O-N 3.08Å; M226-W291 HydrophobicContact CB-CZ3 4.05Å
227H89.8Confident92.6Very high23 Ų2329.4 Ų29.411%0.10616%0.162CC..Hα-helixtrans-60.1-47.6177.2179.247.4000111.6I61 P223 R224 M229 I230 E231I61-H227 HydrophobicContact CG2-CB 4.33Å; I61-H227 WeakPolarHBondContact CG2-ND1 3.28Å; P223-H227 WeakPolarHBondContact O-CB 3.46Å; P223-H227 PolarHBondContact O-N 3.2Å; R224-H227 PolarHBondContact O-N 3.01Å; H227-M229 VanDerWaalsContact C-N 3.3Å; H227-M229 PolarHBondContact O-N 3.14Å; H227-I230 PolarHBondContact O-N 3.34Å; H227-I230 VanDerWaalsContact O-N 3.17Å; H227-E231 IonicContact CE1-OE1 2.64Å; H227-E231 PolarHBondContact CE1-OE1 2.92Å; H227-E231 IonicContact CE1-OE2 3.96Å; H227-E231 IonicContact NE2-OE1 2.66Å; H227-E231 PolarHBondContact NE2-OE1 3.46Å; H227-E231 IonicContact NE2-OE2 2.68Å; H227-E231 WeakPolarHBondContact O-CG 3.29Å; H227-E231 PolarHBondContact O-N 2.82Å
228A90Very high92.7Very high19 Ų1929 Ų2916%0.15716%0.16CC..Hα-helixtrans-62-36.2177.300000112.8R224 I225 N232R224-A228 WeakPolarHBondContact O-CB 3.45Å; R224-A228 PolarHBondContact O-N 3.04Å; I225-A228 PolarHBondContact O-N 3.31Å; A228-N232 WeakPolarHBondContact O-CB 3.49Å; A228-N232 PolarHBondContact O-N 2.9Å; A228-N232 VanDerWaalsContact O-N 3.14Å; A228-N232 PolarHBondContact O-ND2 3.22Å
229M92.2Very high92.9Very high1 Ų128.7 Ų28.71%0.00516%0.157CC..Hα-helixtrans-63.8-42.3175.4-177.2179.7-173.300111.7Y208 I225 M226 H227 G233 N234 V237 W291Y208-M229 HydrophobicContact CD1-CE 3.53Å; Y208-M229 HydrophobicContact CD1-CG 4.39Å; Y208-M229 HydrophobicContact CD1-SD 3.73Å; Y208-M229 HydrophobicContact CE1-CE 3.78Å; Y208-M229 HydrophobicContact CE1-CG 4.16Å; Y208-M229 HydrophobicContact CE1-SD 4.09Å; I225-M229 WeakPolarHBondContact O-CB 3.26Å; I225-M229 PolarHBondContact O-N 2.88Å; M226-M229 WeakPolarHBondContact O-CB 3.44Å; M226-M229 PolarHBondContact O-N 2.76Å; H227-M229 VanDerWaalsContact C-N 3.3Å; H227-M229 PolarHBondContact O-N 3.14Å; M229-G233 PolarHBondContact O-N 3.01Å; M229-G233 VanDerWaalsContact O-N 3.15Å; M229-N234 WeakPolarHBondContact CE-O 3.32Å; M229-N234 HydrophobicContact CG-CB 4.2Å; M229-N234 WeakPolarHBondContact CG-O 3.4Å; M229-N234 PolarHBondContact O-N 3.47Å; M229-N234 VanDerWaalsContact O-N 3.11Å; M229-V237 HydrophobicContact CB-CG2 4.12Å; M229-V237 HydrophobicContact CE-CG2 4.43Å; M229-V237 HydrophobicContact CG-CG2 3.83Å; M229-V237 HydrophobicContact SD-CG2 4.08Å; M229-W291 HydrophobicContact CE-CB 4.26Å; M229-W291 HydrophobicContact SD-CB 3.54Å; M229-W291 VanDerWaalsContact SD-CB 3.54Å
230I90.8Very high92.9Very high45 Ų4528.7 Ų28.723%0.23116%0.156CC..Hα-helixtrans-67.8-49.2178.9-66.3166.7000110.7A65 L68 Y208 M226 H227 N232 G233A65-I230 HydrophobicContact CB-CD1 4.19Å; L68-I230 HydrophobicContact CD1-CD1 4.37Å; Y208-I230 HydrophobicContact CD2-CG1 4.34Å; Y208-I230 HydrophobicContact CE2-CD1 4.38Å; Y208-I230 HydrophobicContact CE2-CG1 3.74Å; M226-I230 HydrophobicContact CE-CD1 3.98Å; M226-I230 HydrophobicContact CG-CD1 4.1Å; M226-I230 WeakPolarHBondContact O-CG1 3.42Å; M226-I230 PolarHBondContact O-N 3.5Å; M226-I230 VanDerWaalsContact O-N 3.08Å; H227-I230 PolarHBondContact O-N 3.34Å; H227-I230 VanDerWaalsContact O-N 3.17Å; I230-N232 VanDerWaalsContact C-N 3.34Å; I230-N232 PolarHBondContact O-N 3.41Å; I230-G233 PolarHBondContact O-N 3.06Å
231E89.5Confident92.9Very high115 Ų11527.2 Ų27.254%0.53715%0.147SC..Hα-helixtrans-62.2-40.2-177.4-73-166.4140.100112.8H227 G233H227-E231 IonicContact CE1-OE1 2.64Å; H227-E231 PolarHBondContact CE1-OE1 2.92Å; H227-E231 IonicContact CE1-OE2 3.96Å; H227-E231 IonicContact NE2-OE1 2.66Å; H227-E231 PolarHBondContact NE2-OE1 3.46Å; H227-E231 IonicContact NE2-OE2 2.68Å; H227-E231 WeakPolarHBondContact O-CG 3.29Å; H227-E231 PolarHBondContact O-N 2.82Å; E231-G233 VanDerWaalsContact C-N 3.34Å
232N89.7Confident92.8Very high111 Ų11130.5 Ų30.559%0.59417%0.165SC*.THydrogen-bonded Turntrans-85.4-7-179.2-66.2-47000113.4A228 I230 N234A228-N232 WeakPolarHBondContact O-CB 3.49Å; A228-N232 PolarHBondContact O-N 2.9Å; A228-N232 VanDerWaalsContact O-N 3.14Å; A228-N232 PolarHBondContact O-ND2 3.22Å; I230-N232 VanDerWaalsContact C-N 3.34Å; I230-N232 PolarHBondContact O-N 3.41Å; N232-N234 VanDerWaalsContact C-N 3.27Å; N232-N234 WeakPolarHBondContact CB-OD1 3.12Å; N232-N234 PolarHBondContact O-N 3.24Å
233G91.6Very high92.7Very high45 Ų4531 Ų3146%0.46417%0.167SC..THydrogen-bonded Turntrans63.628.2-177.100000114.1M229 I230 E231M229-G233 PolarHBondContact O-N 3.01Å; M229-G233 VanDerWaalsContact O-N 3.15Å; I230-G233 PolarHBondContact O-N 3.06Å; E231-G233 VanDerWaalsContact C-N 3.34Å
234N94Very high92.5Very high14 Ų1432.1 Ų32.18%0.07517%0.173CC..  trans-69.5131.6179.9-56.8116.6000110.2M229 N232 V237 G339 I341M229-N234 WeakPolarHBondContact CE-O 3.32Å; M229-N234 HydrophobicContact CG-CB 4.2Å; M229-N234 WeakPolarHBondContact CG-O 3.4Å; M229-N234 PolarHBondContact O-N 3.47Å; M229-N234 VanDerWaalsContact O-N 3.11Å; N232-N234 VanDerWaalsContact C-N 3.27Å; N232-N234 WeakPolarHBondContact CB-OD1 3.12Å; N232-N234 PolarHBondContact O-N 3.24Å; N234-V237 HydrophobicContact CB-CG2 3.94Å; N234-G339 WeakPolarHBondContact CB-O 3.41Å; N234-G339 PolarHBondContact ND2-O 2.69Å; N234-I341 HydrophobicContact CB-CG1 4.47Å; N234-I341 WeakPolarHBondContact OD1-CD1 3.3Å
235E96.4Very high92Very high38 Ų3839.2 Ų39.218%0.17820%0.2CC..SBendtrans-83.8-21.5176.3-59-171.1144.500113.1M292 K293 A296 F337 Q338E235-M292 CarbonylContact O-C 3.58Å; E235-M292 WeakPolarHBondContact O-CA 3.33Å; E235-K293 HydrophobicContact CB-CB 4.28Å; E235-K293 HydrophobicContact CG-CD 4.29Å; E235-K293 PolarHBondContact O-N 3.22Å; E235-A296 HydrophobicContact CB-CB 4.09Å; E235-A296 HydrophobicContact CG-CB 4.23Å; E235-F337 HydrophobicContact CB-CB 4.13Å; E235-F337 HydrophobicContact CB-CD1 3.91Å; E235-Q338 WeakPolarHBondContact CB-O 3.4Å; E235-Q338 HydrophobicContact CG-CB 4.38Å; E235-Q338 WeakPolarHBondContact CG-O 3.28Å; E235-Q338 PolarHBondContact N-O 3.07Å; E235-Q338 WeakPolarHBondContact OE2-CB 3.44Å; E235-Q338 PolarHBondContact OE2-N 3.13Å
236F96.9Very high91.3Very high0 Ų043.1 Ų43.10%023%0.233CC..EExtended strand (participates in β ladder)trans-146.1127.8-179.1-164-68.2000111.2M238 L290 W291 M292 I334 F337 A340 I341F236-M238 HydrophobicContact CE1-CB 4.1Å; F236-M238 HydrophobicContact CE1-CE 4.15Å; F236-L290 HydrophobicContact CE1-CD2 4.02Å; F236-L290 HydrophobicContact CZ-CB 4.32Å; F236-L290 HydrophobicContact CZ-CD1 4.14Å; F236-L290 HydrophobicContact CZ-CD2 4.06Å; F236-L290 HydrophobicContact CZ-CG 4.4Å; F236-W291 CarbonylContact C-O 3.59Å; F236-W291 WeakPolarHBondContact CA-O 3.48Å; F236-M292 HydrophobicContact CD2-CG 3.41Å; F236-M292 VanDerWaalsContact CD2-CG 3.41Å; F236-M292 HydrophobicContact CD2-SD 3.68Å; F236-M292 HydrophobicContact CE2-CG 3.6Å; F236-M292 HydrophobicContact CE2-SD 3.29Å; F236-M292 WeakPolarHBondContact CE2-SD 3.36Å; F236-M292 HydrophobicContact CG-CG 4.03Å; F236-M292 HydrophobicContact CZ-CG 4.31Å; F236-M292 HydrophobicContact CZ-SD 4.07Å; F236-I334 HydrophobicContact CD1-CB 4.06Å; F236-I334 HydrophobicContact CD1-CD1 3.98Å; F236-I334 HydrophobicContact CD1-CG1 3.64Å; F236-I334 HydrophobicContact CE1-CB 3.89Å; F236-I334 HydrophobicContact CE1-CD1 4.11Å; F236-I334 HydrophobicContact CE1-CG1 3.91Å; F236-I334 HydrophobicContact CG-CG1 4.2Å; F236-I334 HydrophobicContact CZ-CB 4.16Å; F236-F337 HydrophobicContact CB-CB 3.55Å; F236-F337 HydrophobicContact CB-CD1 4.14Å; F236-F337 HydrophobicContact CB-CD2 4.11Å; F236-F337 HydrophobicContact CB-CG 3.69Å; F236-F337 HydrophobicContact CD2-CB 4.42Å; F236-F337 HydrophobicContact CD2-CD1 4.22Å; F236-F337 AromaticContact CD2-CD2 3.34Å; F236-F337 HydrophobicContact CD2-CD2 3.34Å; F236-F337 HydrophobicContact CD2-CE1 4.31Å; F236-F337 AromaticContact CD2-CE2 3.47Å; F236-F337 HydrophobicContact CD2-CE2 3.47Å; F236-F337 VanDerWaalsContact CD2-CE2 3.47Å; F236-F337 AromaticContact CD2-CG 3.75Å; F236-F337 HydrophobicContact CD2-CG 3.75Å; F236-F337 AromaticContact CD2-CZ 3.96Å; F236-F337 HydrophobicContact CD2-CZ 3.96Å; F236-F337 HydrophobicContact CE2-CD2 4.07Å; F236-F337 AromaticContact CE2-CE2 3.88Å; F236-F337 HydrophobicContact CE2-CE2 3.88Å; F236-F337 HydrophobicContact CE2-CZ 4.47Å; F236-F337 HydrophobicContact CG-CB 4.39Å; F236-F337 HydrophobicContact CG-CD2 4.1Å; F236-F337 HydrophobicContact CG-CG 4.18Å; F236-A340 HydrophobicContact CB-CB 4.03Å; F236-A340 VanDerWaalsContact O-CA 3.29Å; F236-A340 WeakPolarHBondContact O-CA 3.45Å; F236-I341 PolarHBondContact O-N 3.46Å
237V96.9Very high90.9Very high2 Ų244.3 Ų44.31%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-125.5123173.7-178.20000109.7I225 M229 N234 L290 W291 I341 V343I225-V237 HydrophobicContact CG2-CG1 4.28Å; M229-V237 HydrophobicContact CB-CG2 4.12Å; M229-V237 HydrophobicContact CE-CG2 4.43Å; M229-V237 HydrophobicContact CG-CG2 3.83Å; M229-V237 HydrophobicContact SD-CG2 4.08Å; N234-V237 HydrophobicContact CB-CG2 3.94Å; V237-L290 WeakPolarHBondContact O-CA 3.39Å; V237-W291 HydrophobicContact CB-CB 4.08Å; V237-W291 HydrophobicContact CB-CG 4.49Å; V237-W291 PolarHBondContact N-O 3.47Å; V237-W291 PolarHBondContact O-N 3.37Å; V237-I341 WeakPolarHBondContact CA-O 3.27Å; V237-I341 HydrophobicContact CB-CG1 4.45Å; V237-I341 HydrophobicContact CG1-CG1 4.29Å; V237-I341 HydrophobicContact CG2-CD1 4.23Å; V237-I341 HydrophobicContact CG2-CG1 3.86Å; V237-V343 HydrophobicContact CG1-CB 4.16Å; V237-V343 HydrophobicContact CG1-CG2 3.36Å
238M97.1Very high90.6Very high0 Ų044.9 Ų44.90%024%0.244CC..EExtended strand (participates in β ladder)trans-103.3121.8174.3-175.2176.8-68.900110.2F236 L240 L253 L262 N286 L290 G331 I334 I341 G342 V343F236-M238 HydrophobicContact CE1-CB 4.1Å; F236-M238 HydrophobicContact CE1-CE 4.15Å; M238-L240 HydrophobicContact CG-CD2 4Å; M238-L240 PolarHBondContact O-N 2.67Å; M238-L240 HydrophobicContact SD-CD2 3.9Å; M238-L253 HydrophobicContact CE-CD2 4.19Å; M238-L253 HydrophobicContact SD-CD1 4.26Å; M238-L253 HydrophobicContact SD-CD2 3.69Å; M238-L253 HydrophobicContact SD-CG 4Å; M238-L262 HydrophobicContact CE-CD1 4.43Å; M238-L262 HydrophobicContact CE-CD2 4.3Å; M238-L262 HydrophobicContact SD-CD1 4.16Å; M238-N286 WeakPolarHBondContact CG-OD1 3.3Å; M238-N286 HydrophobicContact SD-CB 3.87Å; M238-N286 PolarHBondContact SD-OD1 3.43Å; M238-N286 VanDerWaalsContact SD-OD1 3.42Å; M238-L290 HydrophobicContact CB-CD2 4.22Å; M238-L290 HydrophobicContact CE-CD2 3.99Å; M238-L290 HydrophobicContact CG-CD2 3.81Å; M238-G331 VanDerWaalsContact CE-O 3.28Å; M238-G331 WeakPolarHBondContact CE-O 3.34Å; M238-I334 HydrophobicContact CB-CD1 4.06Å; M238-I334 HydrophobicContact CE-CB 4.32Å; M238-I334 HydrophobicContact CE-CD1 4.16Å; M238-I334 HydrophobicContact CE-CG2 4.43Å; M238-I341 PolarHBondContact N-O 2.9Å; M238-G342 CarbonylContact O-C 3.54Å; M238-G342 VanDerWaalsContact O-CA 3.27Å; M238-G342 WeakPolarHBondContact O-CA 3.4Å; M238-V343 PolarHBondContact O-N 3.11Å
239E97.6Very high90.2Very high0 Ų050.8 Ų50.80%027%0.266CS..EExtended strand (participates in β ladder)trans-76.1127.4171.1-62.6178.7-153.300110.5I225 T287 N289 W291 V343 V345 R349I225-E239 HydrophobicContact CD1-CG 4.14Å; E239-T287 WeakPolarHBondContact CB-OG1 3.34Å; E239-T287 WeakPolarHBondContact O-CB 3.47Å; E239-T287 WeakPolarHBondContact O-CG2 3.49Å; E239-T287 PolarHBondContact O-N 3.29Å; E239-T287 VanDerWaalsContact O-N 3.07Å; E239-T287 PolarHBondContact O-OG1 3.04Å; E239-N289 HydrophobicContact CB-CB 3.95Å; E239-N289 VanDerWaalsContact CD-CB 3.46Å; E239-N289 HydrophobicContact CG-CB 3.99Å; E239-N289 PolarHBondContact N-O 3.08Å; E239-N289 PolarHBondContact OE2-ND2 2.72Å; E239-W291 PolarHBondContact OE1-NE1 2.85Å; E239-V343 CarbonylContact C-O 3.55Å; E239-V343 WeakPolarHBondContact CA-O 3.3Å; E239-V345 HydrophobicContact CB-CG1 4.03Å; E239-V345 HydrophobicContact CB-CG2 3.88Å; E239-V345 HydrophobicContact CG-CG1 3.85Å; E239-V345 HydrophobicContact CG-CG2 4.47Å; E239-R349 IonicContact OE1-CZ 3.63Å; E239-R349 IonicContact OE1-NE 3.17Å; E239-R349 PolarHBondContact OE1-NE 2.81Å; E239-R349 IonicContact OE1-NH2 2.78Å; E239-R349 PolarHBondContact OE1-NH2 3.22Å; E239-R349 IonicContact OE2-CZ 2.59Å; E239-R349 IonicContact OE2-NE 3.51Å; E239-R349 PolarHBondContact OE2-NE 2.82Å; E239-R349 IonicContact OE2-NH2 3.8Å; E239-R349 PolarHBondContact OE2-NH2 2.81Å
240L95.8Very high89.9Confident2 Ų251.8 Ų51.81%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-113.9152.9174.9-55.2179000110.1V46 M238 L253 F285 N286 V343 I344 V345V46-L240 HydrophobicContact CG2-CD1 4.49Å; M238-L240 HydrophobicContact CG-CD2 4Å; M238-L240 PolarHBondContact O-N 2.67Å; M238-L240 HydrophobicContact SD-CD2 3.9Å; L240-L253 HydrophobicContact CD1-CB 4.35Å; L240-L253 HydrophobicContact CD1-CD1 3.81Å; L240-L253 HydrophobicContact CD1-CG 4.09Å; L240-L253 HydrophobicContact CD2-CD1 4.21Å; L240-L253 HydrophobicContact CD2-CG 4.06Å; L240-L253 HydrophobicContact CG-CD1 4.31Å; L240-F285 CarbonylContact C-O 3.53Å; L240-F285 VanDerWaalsContact CA-O 3.23Å; L240-F285 WeakPolarHBondContact CA-O 3.49Å; L240-N286 HydrophobicContact CD2-CB 4.33Å; L240-V343 PolarHBondContact N-O 2.96Å; L240-I344 HydrophobicContact CB-CD1 3.62Å; L240-I344 HydrophobicContact CD1-CD1 3.8Å; L240-I344 HydrophobicContact CG-CD1 4.29Å; L240-I344 CarbonylContact O-C 3.59Å; L240-I344 WeakPolarHBondContact O-CA 3.36Å; L240-V345 WeakPolarHBondContact O-CG2 3.48Å; L240-V345 PolarHBondContact O-N 3.24Å
241T94.7Very high89.8Confident1 Ų149.8 Ų49.81%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-137.6166171.9-159.60000110.9K243 Y284 F285 T287 V345 F350T241-K243 PolarHBondContact O-N 2.75Å; T241-Y284 CarbonylContact O-C 3.6Å; T241-Y284 VanDerWaalsContact O-CA 3.3Å; T241-Y284 WeakPolarHBondContact O-CA 3.4Å; T241-F285 HydrophobicContact CG2-CD1 3.99Å; T241-F285 HydrophobicContact CG2-CE1 3.22Å; T241-F285 HydrophobicContact CG2-CE2 4.37Å; T241-F285 HydrophobicContact CG2-CZ 3.45Å; T241-F285 VanDerWaalsContact CG2-CZ 3.45Å; T241-F285 PolarHBondContact N-O 3.32Å; T241-F285 VanDerWaalsContact O-CD1 3.26Å; T241-F285 WeakPolarHBondContact O-CD1 3.3Å; T241-F285 PolarHBondContact O-N 2.92Å; T241-T287 HydrophobicContact CG2-CG2 3.82Å; T241-V345 WeakPolarHBondContact CB-O 3.47Å; T241-V345 PolarHBondContact OG1-O 3.18Å; T241-F350 HydrophobicContact CG2-CB 4.12Å; T241-F350 HydrophobicContact CG2-CD1 4.27Å; T241-F350 HydrophobicContact CG2-CG 4.25Å
242D92Very high90Very high91 Ų9144.6 Ų44.649%0.48724%0.243SC..EExtended strand (participates in β ladder)trans-63.2131.3-177.5-65.2-64.5000111.7T244 Y284 F285 R347D242-T244 PolarHBondContact O-N 2.93Å; D242-Y284 WeakPolarHBondContact OD1-CE1 3.05Å; D242-F285 WeakPolarHBondContact O-CE1 3.31Å; D242-R347 PolarHBondContact O-NH1 3.12Å
243K89.5Confident90.1Very high18 Ų1839.7 Ų39.78%0.07822%0.217CC..PPolyproline II helixtrans-66.6126.3174.6-74.1-162.6-170.6-175.20110.1T241 G250 V279 F282 K283 Y284 F285T241-K243 PolarHBondContact O-N 2.75Å; K243-G250 PolarHBondContact NZ-O 2.74Å; K243-V279 HydrophobicContact CB-CG1 4.08Å; K243-F282 VanDerWaalsContact CD-O 3.25Å; K243-F282 WeakPolarHBondContact CD-O 3.32Å; K243-F282 WeakPolarHBondContact CE-O 3.49Å; K243-K283 PolarHBondContact N-O 2.96Å; K243-Y284 VanDerWaalsContact CE-O 3.22Å; K243-Y284 WeakPolarHBondContact CE-O 3.14Å; K243-F285 HydrophobicContact CB-CD1 4.39Å; K243-F285 HydrophobicContact CD-CB 4.36Å; K243-F285 HydrophobicContact CG-CB 3.81Å; K243-F285 HydrophobicContact CG-CD1 3.78Å; K243-F285 HydrophobicContact CG-CG 4.19Å
244T84.4Confident90.2Very high54 Ų5437.8 Ų37.833%0.33120%0.196SC..PPolyproline II helixtrans-95.8173163.170.90000110.5D242 A246 D247 R347D242-T244 PolarHBondContact O-N 2.93Å; T244-A246 PolarHBondContact O-N 2.7Å; T244-A246 VanDerWaalsContact O-N 3.07Å; T244-A246 PolarHBondContact OG1-N 3.09Å; T244-D247 WeakPolarHBondContact CB-OD2 3.2Å; T244-D247 PolarHBondContact N-OD2 3.49Å; T244-D247 PolarHBondContact O-N 3.19Å; T244-D247 PolarHBondContact OG1-OD2 3.11Å; T244-R347 PolarHBondContact OG1-NH2 3.05Å
245R79.4Confident90.1Very high241 Ų24137.4 Ų37.491%0.90919%0.194SC*.THydrogen-bonded Turntrans-56-24.2173.2-67.3-176.6178.7178.4-0.4113.3
246A78.3Confident89.8Confident85 Ų8536.7 Ų36.770%0.70219%0.19SC*.THydrogen-bonded Turntrans-79.9-22.2176.500000113.2T244T244-A246 PolarHBondContact O-N 2.7Å; T244-A246 VanDerWaalsContact O-N 3.07Å; T244-A246 PolarHBondContact OG1-N 3.09Å
247D82.9Confident89.4Confident25 Ų2540.5 Ų40.513%0.13421%0.211CC..  trans-103.48.7-170.1-46.4-52.4000112.9T244 K249 G250 F285 R347T244-D247 WeakPolarHBondContact CB-OD2 3.2Å; T244-D247 PolarHBondContact N-OD2 3.49Å; T244-D247 PolarHBondContact O-N 3.19Å; T244-D247 PolarHBondContact OG1-OD2 3.11Å; D247-K249 PolarHBondContact O-N 3.33Å; D247-G250 PolarHBondContact O-N 3.24Å; D247-F285 HydrophobicContact CB-CD1 4Å; D247-F285 HydrophobicContact CB-CD2 4.49Å; D247-F285 HydrophobicContact CB-CE1 3.77Å; D247-F285 HydrophobicContact CB-CE2 4.31Å; D247-F285 HydrophobicContact CB-CG 4.34Å; D247-F285 HydrophobicContact CB-CZ 3.95Å; D247-R347 IonicContact OD1-NH2 2.91Å; D247-R347 PolarHBondContact OD1-NH2 3.13Å; D247-R347 IonicContact OD2-CZ 2.78Å; D247-R347 VanDerWaalsContact OD2-CZ 3.25Å; D247-R347 IonicContact OD2-NH1 3.99Å; D247-R347 PolarHBondContact OD2-NH1 3.49Å; D247-R347 IonicContact OD2-NH2 3.71Å; D247-R347 PolarHBondContact OD2-NH2 3.19Å
248V83.4Confident88.8Confident35 Ų3543.3 Ų43.321%0.21224%0.241CC..THydrogen-bonded Turntrans-58-23-174.7-64.40000113.7Y277 V279V248-Y277 HydrophobicContact CB-CD1 4.38Å; V248-Y277 HydrophobicContact CG2-CD1 4.47Å; V248-Y277 WeakPolarHBondContact O-CD1 3.34Å; V248-V279 HydrophobicContact CG1-CG1 4.31Å
249K82Confident88.4Confident144 Ų14446.2 Ų46.263%0.62626%0.258SS*.THydrogen-bonded Turntrans-85.3-10.6177.7-60.6-177.3-179.5-1790113.9D247 Y277D247-K249 PolarHBondContact O-N 3.33Å; K249-Y277 HydrophobicContact CG-CE1 4.25Å
250G85.7Confident88.1Confident22 Ų2247.2 Ų47.223%0.22726%0.263CS..SBendtrans-71.4143-176.300000112.5K243 D247 F276K243-G250 PolarHBondContact NZ-O 2.74Å; D247-G250 PolarHBondContact O-N 3.24Å; G250-F276 WeakPolarHBondContact O-CZ 3.13Å
251G88.7Confident88Confident3 Ų350.1 Ų50.13%0.03127%0.274CS..  trans-59.3150.2175.800000113.1L263 E264 F285 N286G251-L263 CarbonylContact C-O 3.55Å; G251-L263 WeakPolarHBondContact CA-O 3.34Å; G251-E264 WeakPolarHBondContact CA-OE2 3.32Å; G251-E264 PolarHBondContact N-OE2 2.81Å; G251-F285 CarbonylContact O-C 3.51Å; G251-F285 WeakPolarHBondContact O-CA 3.47Å; G251-F285 VanDerWaalsContact O-CB 3.32Å; G251-F285 WeakPolarHBondContact O-CB 3.5Å; G251-N286 PolarHBondContact O-N 3.24Å
252T92.9Very high87.9Confident6 Ų650.2 Ų50.24%0.03727%0.274CS..EExtended strand (participates in β ladder)trans-133.8156-176.1-164.90000110.9I254 L263 F276 F282 Y284T252-I254 HydrophobicContact CG2-CG2 4.06Å; T252-L263 HydrophobicContact CG2-CB 4.42Å; T252-L263 PolarHBondContact N-O 3.08Å; T252-L263 PolarHBondContact O-N 2.89Å; T252-F276 HydrophobicContact CG2-CE2 3.89Å; T252-F282 HydrophobicContact CG2-CB 4.17Å; T252-F282 HydrophobicContact CG2-CD1 3.42Å; T252-F282 VanDerWaalsContact CG2-CD1 3.42Å; T252-F282 HydrophobicContact CG2-CE1 3.99Å; T252-F282 HydrophobicContact CG2-CG 3.92Å; T252-Y284 WeakPolarHBondContact CB-O 3.24Å; T252-Y284 PolarHBondContact OG1-O 2.9Å
253L93Very high87.9Confident7 Ų745.9 Ų45.94%0.03725%0.251CS..EExtended strand (participates in β ladder)trans-81.2134.5173.7-71.1-174.1000110.5L41 M238 L240 I260 R261 L262 I334L41-L253 HydrophobicContact CD1-CB 4.16Å; L41-L253 HydrophobicContact CD2-CB 4.23Å; M238-L253 HydrophobicContact CE-CD2 4.19Å; M238-L253 HydrophobicContact SD-CD1 4.26Å; M238-L253 HydrophobicContact SD-CD2 3.69Å; M238-L253 HydrophobicContact SD-CG 4Å; L240-L253 HydrophobicContact CD1-CB 4.35Å; L240-L253 HydrophobicContact CD1-CD1 3.81Å; L240-L253 HydrophobicContact CD1-CG 4.09Å; L240-L253 HydrophobicContact CD2-CD1 4.21Å; L240-L253 HydrophobicContact CD2-CG 4.06Å; L240-L253 HydrophobicContact CG-CD1 4.31Å; L253-I260 HydrophobicContact CB-CG2 4.38Å; L253-I260 HydrophobicContact CD1-CG2 4.06Å; L253-I260 HydrophobicContact CD2-CG2 3.98Å; L253-I260 HydrophobicContact CG-CG2 4.37Å; L253-R261 WeakPolarHBondContact CA-O 3.49Å; L253-L262 HydrophobicContact CD2-CB 4.31Å; L253-L262 HydrophobicContact CD2-CD1 4.32Å; L253-I334 HydrophobicContact CD1-CD1 4.06Å; L253-I334 HydrophobicContact CD2-CD1 3.95Å; L253-I334 HydrophobicContact CD2-CG2 4.32Å
254I93Very high87.9Confident6 Ų646.8 Ų46.83%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-129.8160.3175.862.7162.6000110.6I38 L41 T252 Y256 I260 R261 L263 F282I38-I254 HydrophobicContact CD1-CD1 4.15Å; I38-I254 HydrophobicContact CG1-CD1 3.99Å; I38-I254 HydrophobicContact CG2-CB 4.08Å; I38-I254 HydrophobicContact CG2-CD1 4.23Å; I38-I254 HydrophobicContact CG2-CG2 4.15Å; L41-I254 VanDerWaalsContact CD2-C 3.43Å; T252-I254 HydrophobicContact CG2-CG2 4.06Å; I254-Y256 HydrophobicContact CD1-CD2 4.47Å; I254-I260 WeakPolarHBondContact O-CA 3.43Å; I254-R261 HydrophobicContact CG1-CB 4.32Å; I254-R261 WeakPolarHBondContact CG1-O 3.16Å; I254-R261 PolarHBondContact N-O 2.75Å; I254-R261 PolarHBondContact O-N 3.01Å; I254-L263 HydrophobicContact CD1-CB 3.84Å; I254-L263 HydrophobicContact CD1-CD1 4.28Å; I254-L263 HydrophobicContact CD1-CD2 4.26Å; I254-L263 HydrophobicContact CD1-CG 4.36Å; I254-L263 HydrophobicContact CG1-CB 3.96Å; I254-L263 HydrophobicContact CG2-CB 3.96Å; I254-L263 HydrophobicContact CG2-CD2 4.09Å; I254-F282 HydrophobicContact CG2-CD1 4.43Å; I254-F282 HydrophobicContact CG2-CE1 3.78Å
255S92.3Very high88.1Confident5 Ų546 Ų464%0.03525%0.249CC..EExtended strand (participates in β ladder)trans-97.1121.7165177.40000109S39 Q40S39-S255 PolarHBondContact N-O 3.18Å; S39-S255 PolarHBondContact O-N 3.21Å; S39-S255 VanDerWaalsContact OG-CB 3.27Å; S39-S255 WeakPolarHBondContact OG-CB 3.42Å; S39-S255 PolarHBondContact OG-O 2.83Å; S39-S255 PolarHBondContact OG-OG 2.85Å; Q40-S255 WeakPolarHBondContact O-CB 3.25Å
256Y90.4Very high88.4Confident23 Ų2337.5 Ų37.59%0.0923%0.225CC..EExtended strand (participates in β ladder)trans-131116178.6-168.3-84.9000108.9V33 R37 I38 I254 G258 V259V33-Y256 HydrophobicContact CB-CE2 4.03Å; V33-Y256 HydrophobicContact CG1-CE2 4.48Å; R37-Y256 HydrophobicContact CB-CD2 4.23Å; R37-Y256 HydrophobicContact CB-CE2 3.69Å; I38-Y256 HydrophobicContact CG1-CD2 4.16Å; I254-Y256 HydrophobicContact CD1-CD2 4.47Å; Y256-G258 PolarHBondContact O-N 2.82Å; Y256-V259 PolarHBondContact N-O 3.03Å; Y256-V259 PolarHBondContact O-N 3.47Å; Y256-V259 VanDerWaalsContact O-N 3.15Å
257D86.7Confident88.8Confident80 Ų8033.9 Ų33.943%0.42819%0.194SC..THydrogen-bonded Turntrans53.538.9-173.4-60.3-36.6000113.6R37 V259R37-D257 IonicContact CZ-OD1 2.79Å; R37-D257 IonicContact CZ-OD2 3.14Å; R37-D257 VanDerWaalsContact CZ-OD2 3.25Å; R37-D257 IonicContact NE-OD1 3.25Å; R37-D257 PolarHBondContact NE-OD1 3.11Å; R37-D257 IonicContact NE-OD2 2.94Å; R37-D257 IonicContact NH1-OD2 2.7Å; R37-D257 IonicContact NH2-OD1 3.65Å; R37-D257 PolarHBondContact NH2-OD1 3.42Å; R37-D257 IonicContact NH2-OD2 2.7Å; R37-D257 PolarHBondContact NH2-OD2 3.07Å; D257-V259 PolarHBondContact O-N 3.34Å
258G84.4Confident89.1Confident62 Ų6232.8 Ų32.864%0.63919%0.188SC*.THydrogen-bonded Turntrans78.5-1.1179.200000115.1Y256Y256-G258 PolarHBondContact O-N 2.82Å
259V88.7Confident89.5Confident60 Ų6031.9 Ų31.936%0.36418%0.183SC..EExtended strand (participates in β ladder)trans-108.7140.1178.6-174.40000109.9Y256 D257 R261 K335Y256-V259 PolarHBondContact N-O 3.03Å; Y256-V259 PolarHBondContact O-N 3.47Å; Y256-V259 VanDerWaalsContact O-N 3.15Å; D257-V259 PolarHBondContact O-N 3.34Å; V259-R261 PolarHBondContact O-N 2.97Å; V259-K335 HydrophobicContact CG1-CB 3.82Å
260I93Very high89.9Confident21 Ų2133 Ų3311%0.10819%0.187CC..EExtended strand (participates in β ladder)trans-72.6127174.5-61.5163.2000108.7L41 A45 L253 I254 I334 K335 A340L41-I260 HydrophobicContact CD2-CG1 4.31Å; L41-I260 HydrophobicContact CD2-CG2 4.32Å; A45-I260 HydrophobicContact CB-CD1 3.48Å; A45-I260 VanDerWaalsContact CB-CD1 3.48Å; A45-I260 HydrophobicContact CB-CG1 4.07Å; L253-I260 HydrophobicContact CB-CG2 4.38Å; L253-I260 HydrophobicContact CD1-CG2 4.06Å; L253-I260 HydrophobicContact CD2-CG2 3.98Å; L253-I260 HydrophobicContact CG-CG2 4.37Å; I254-I260 WeakPolarHBondContact O-CA 3.43Å; I260-I334 HydrophobicContact CG2-CD1 4.12Å; I260-K335 WeakPolarHBondContact O-CA 3.16Å; I260-K335 WeakPolarHBondContact O-CB 3.41Å; I260-A340 VanDerWaalsContact CD1-O 3.26Å; I260-A340 WeakPolarHBondContact CD1-O 3.39Å
261R91.9Very high90.2Very high64 Ų6439.9 Ų39.924%0.24221%0.214CC..EExtended strand (participates in β ladder)trans-132.4152.1178.2-55.6-165.1-174-174.20.7110.9L253 I254 V259 K335L253-R261 WeakPolarHBondContact CA-O 3.49Å; I254-R261 HydrophobicContact CG1-CB 4.32Å; I254-R261 WeakPolarHBondContact CG1-O 3.16Å; I254-R261 PolarHBondContact N-O 2.75Å; I254-R261 PolarHBondContact O-N 3.01Å; V259-R261 PolarHBondContact O-N 2.97Å; R261-K335 HydrophobicContact CG-CB 4.01Å; R261-K335 HydrophobicContact CG-CD 4.31Å
262L93.4Very high90.4Very high2 Ų242.1 Ų42.11%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-86.8117.7169.7-178.866.9000109.2M238 L253 E264 Q267 N286M238-L262 HydrophobicContact CE-CD1 4.43Å; M238-L262 HydrophobicContact CE-CD2 4.3Å; M238-L262 HydrophobicContact SD-CD1 4.16Å; L253-L262 HydrophobicContact CD2-CB 4.31Å; L253-L262 HydrophobicContact CD2-CD1 4.32Å; L262-E264 HydrophobicContact CD2-CG 4.4Å; L262-E264 HydrophobicContact CG-CG 4.36Å; L262-Q267 PolarHBondContact O-OE1 3.15Å; L262-N286 HydrophobicContact CD1-CB 3.85Å
263L92Very high90.3Very high1 Ų146.3 Ų46.31%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-94118.3173.6-178.668.4000110V33 W35 I38 G251 T252 I254 Q267 V268 F276V33-L263 HydrophobicContact CG1-CD1 4.17Å; V33-L263 HydrophobicContact CG2-CD1 3.73Å; W35-L263 HydrophobicContact CH2-CD2 4.42Å; W35-L263 HydrophobicContact CZ3-CD2 4.01Å; I38-L263 HydrophobicContact CD1-CD2 4.16Å; G251-L263 CarbonylContact C-O 3.55Å; G251-L263 WeakPolarHBondContact CA-O 3.34Å; T252-L263 HydrophobicContact CG2-CB 4.42Å; T252-L263 PolarHBondContact N-O 3.08Å; T252-L263 PolarHBondContact O-N 2.89Å; I254-L263 HydrophobicContact CD1-CB 3.84Å; I254-L263 HydrophobicContact CD1-CD1 4.28Å; I254-L263 HydrophobicContact CD1-CD2 4.26Å; I254-L263 HydrophobicContact CD1-CG 4.36Å; I254-L263 HydrophobicContact CG1-CB 3.96Å; I254-L263 HydrophobicContact CG2-CB 3.96Å; I254-L263 HydrophobicContact CG2-CD2 4.09Å; L263-Q267 HydrophobicContact CD1-CB 3.98Å; L263-V268 HydrophobicContact CD1-CG2 4.17Å; L263-V268 HydrophobicContact CD2-CG2 4.05Å; L263-V268 HydrophobicContact CG-CG2 4.07Å; L263-F276 HydrophobicContact CD2-CD2 3.83Å; L263-F276 HydrophobicContact CD2-CE2 3.83Å; L263-F276 HydrophobicContact CG-CD2 4.43Å; L263-F276 HydrophobicContact CG-CE2 4Å
264E90.4Very high90.2Very high37 Ų3752.3 Ų52.317%0.17327%0.271CS..  trans-104.1155.8175.6-69.4-70.2179.700111.8G251 L262 P266 Q267G251-E264 WeakPolarHBondContact CA-OE2 3.32Å; G251-E264 PolarHBondContact N-OE2 2.81Å; L262-E264 HydrophobicContact CD2-CG 4.4Å; L262-E264 HydrophobicContact CG-CG 4.36Å; E264-P266 VanDerWaalsContact C-CD 3.44Å; E264-Q267 WeakPolarHBondContact O-CB 3.48Å; E264-Q267 PolarHBondContact O-N 3Å
265L88.4Confident90Very high38 Ų3854.8 Ų54.820%0.19928%0.282CS..G310 helixtrans-53.2-41.2-177.5179.263.6000114.6Q267 V268 R273 F276 Y277L265-Q267 PolarHBondContact O-N 3.3Å; L265-V268 PolarHBondContact O-N 3.11Å; L265-V268 VanDerWaalsContact O-N 3.15Å; L265-R273 HydrophobicContact CD1-CG 4.5Å; L265-F276 HydrophobicContact CB-CE1 4.19Å; L265-F276 HydrophobicContact CD1-CD1 4Å; L265-F276 HydrophobicContact CD1-CE1 4.25Å; L265-Y277 HydrophobicContact CD1-CE1 3.81Å; L265-Y277 HydrophobicContact CD2-CE1 4.46Å
266P85.8Confident89.9Confident62 Ų6254.5 Ų54.540%0.40328%0.28SS..G310 helixtrans-61.3-23.1178.2-25.737.6000114.3E264 I311E264-P266 VanDerWaalsContact C-CD 3.44Å; P266-I311 HydrophobicContact CG-CG2 4.26Å
267Q86Confident89.8Confident9 Ų956.8 Ų56.84%0.04229%0.289CS..G310 helixtrans-86.6-11.3-179.1-59.6158-3.100112.5T32 V33 L262 L263 E264 L265 P269T32-Q267 WeakPolarHBondContact CA-O 3.26Å; T32-Q267 WeakPolarHBondContact CB-O 3.29Å; V33-Q267 HydrophobicContact CG1-CB 4.49Å; V33-Q267 PolarHBondContact N-O 3.35Å; L262-Q267 PolarHBondContact O-OE1 3.15Å; L263-Q267 HydrophobicContact CD1-CB 3.98Å; E264-Q267 WeakPolarHBondContact O-CB 3.48Å; E264-Q267 PolarHBondContact O-N 3Å; L265-Q267 PolarHBondContact O-N 3.3Å; Q267-P269 WeakPolarHBondContact O-CD 3.5Å
268V89.8Confident89.9Confident1 Ų154.7 Ų54.71%0.00628%0.281CS..SBendtrans-81.8122.3-179.1176.90000109.7W35 L263 L265 H272 R273 F276W35-V268 HydrophobicContact CE3-CG1 4.27Å; W35-V268 HydrophobicContact CH2-CG1 4.12Å; W35-V268 HydrophobicContact CZ3-CB 4.24Å; W35-V268 HydrophobicContact CZ3-CG1 3.58Å; W35-V268 HydrophobicContact CZ3-CG2 3.96Å; L263-V268 HydrophobicContact CD1-CG2 4.17Å; L263-V268 HydrophobicContact CD2-CG2 4.05Å; L263-V268 HydrophobicContact CG-CG2 4.07Å; L265-V268 PolarHBondContact O-N 3.11Å; L265-V268 VanDerWaalsContact O-N 3.15Å; V268-H272 HydrophobicContact CG1-CB 4.42Å; V268-R273 HydrophobicContact CG1-CG 4.04Å; V268-F276 HydrophobicContact CG1-CB 4.07Å; V268-F276 HydrophobicContact CG2-CB 4.16Å; V268-F276 HydrophobicContact CG2-CD1 4.3Å; V268-F276 HydrophobicContact CG2-CD2 3.7Å; V268-F276 HydrophobicContact CG2-CE2 4.13Å; V268-F276 HydrophobicContact CG2-CG 3.79Å
269P90.5Very high90Very high17 Ų1754.8 Ų54.811%0.1127%0.269CS..  trans-52.4143.2171.8-24.633.6000111.4V33 Q267 E271 H272V33-P269 WeakPolarHBondContact O-CG 3.38Å; Q267-P269 WeakPolarHBondContact O-CD 3.5Å; P269-E271 PolarHBondContact O-N 2.9Å; P269-E271 VanDerWaalsContact O-N 3.1Å; P269-H272 PolarHBondContact O-N 3.48Å
270K90.3Very high89.9Confident166 Ų16657.1 Ų57.172%0.72228%0.284SS*.G310 helixtrans-55.1-35.7-174.8-69.2-177.7-178.6176.50112.7H272K270-H272 VanDerWaalsContact C-N 3.31Å; K270-H272 PolarHBondContact O-N 3.23Å
271E92.9Very high89.5Confident168 Ų16861.8 Ų61.879%0.78530%0.303SS*.G310 helixtrans-66-27.5-178.8-62.3147.8-116.100113.6P269P269-E271 PolarHBondContact O-N 2.9Å; P269-E271 VanDerWaalsContact O-N 3.1Å
272H92.2Very high89.4Confident50 Ų5060 Ų6023%0.23130%0.297CS..G310 helixtrans-108.311.9-175.4-63.3-68.2000113.7W35 V268 P269 K270 D274 E275 F276W35-H272 AromaticContact CD1-CD2 3.7Å; W35-H272 AromaticContact CD1-CE1 3.61Å; W35-H272 AromaticContact CD1-CG 3.52Å; W35-H272 AromaticContact CD1-ND1 3.45Å; W35-H272 AromaticContact CD1-NE2 3.75Å; W35-H272 HydrophobicContact CD2-CB 3.52Å; W35-H272 AromaticContact CD2-CD2 3.95Å; W35-H272 AromaticContact CD2-CG 3.68Å; W35-H272 AromaticContact CE2-CG 3.81Å; W35-H272 HydrophobicContact CE3-CB 3.84Å; W35-H272 HydrophobicContact CG-CB 3.96Å; W35-H272 AromaticContact CG-CD2 3.44Å; W35-H272 VanDerWaalsContact CG-CD2 3.44Å; W35-H272 AromaticContact CG-CG 3.53Å; W35-H272 AromaticContact CG-ND1 3.95Å; W35-H272 AromaticContact CG-NE2 3.83Å; W35-H272 HydrophobicContact CH2-CB 4.19Å; W35-H272 HydrophobicContact CZ2-CB 3.88Å; W35-H272 HydrophobicContact CZ3-CB 4.17Å; W35-H272 AromaticContact NE1-CG 3.65Å; W35-H272 AromaticContact NE1-ND1 3.54Å; V268-H272 HydrophobicContact CG1-CB 4.42Å; P269-H272 PolarHBondContact O-N 3.48Å; K270-H272 VanDerWaalsContact C-N 3.31Å; K270-H272 PolarHBondContact O-N 3.23Å; H272-D274 VanDerWaalsContact C-N 3.3Å; H272-D274 PolarHBondContact O-N 3.09Å; H272-E275 IonicContact CE1-OE1 3.09Å; H272-E275 IonicContact CG-OE1 3.22Å; H272-E275 IonicContact ND1-OE1 3.67Å; H272-E275 PolarHBondContact ND1-OE1 3.49Å; H272-E275 WeakPolarHBondContact O-CB 3.41Å; H272-E275 PolarHBondContact O-N 3.31Å; H272-F276 PolarHBondContact O-N 3.47Å; H272-F276 VanDerWaalsContact O-N 3.11Å
273R90.3Very high89.2Confident93 Ų9365.9 Ų65.935%0.35132%0.323SS..Hα-helixtrans-61.8-37.7-179.8-72.8-179.7177.3-174.4-2.2113L265 V268 E275 F276 Y277L265-R273 HydrophobicContact CD1-CG 4.5Å; V268-R273 HydrophobicContact CG1-CG 4.04Å; R273-E275 VanDerWaalsContact C-N 3.29Å; R273-E275 PolarHBondContact O-N 2.82Å; R273-F276 WeakPolarHBondContact O-CB 3.3Å; R273-F276 PolarHBondContact O-N 2.68Å; R273-F276 VanDerWaalsContact O-N 3.16Å; R273-Y277 HydrophobicContact CB-CE2 4.24Å; R273-Y277 VanDerWaalsContact O-CD2 3.29Å; R273-Y277 WeakPolarHBondContact O-CD2 3.34Å; R273-Y277 VanDerWaalsContact O-CG 3.29Å; R273-Y277 PolarHBondContact O-N 2.91Å
274D91Very high89.2Confident133 Ų13368.3 Ų68.371%0.71133%0.332SS*.Hα-helixtrans-66.6-34178.8-66.1-23.3000111.7H272 Y277 S278H272-D274 VanDerWaalsContact C-N 3.3Å; H272-D274 PolarHBondContact O-N 3.09Å; D274-Y277 PolarHBondContact O-N 2.93Å; D274-S278 PolarHBondContact O-N 2.86Å
275E90.3Very high89.3Confident58 Ų5866.9 Ų66.927%0.27133%0.325SS..Hα-helixtrans-67.1-39.2172.5-63.6-176.7-142.700112W35 H272 R273 Y277 S278 K281W35-E275 HydrophobicContact CZ2-CB 3.75Å; W35-E275 PolarHBondContact NE1-OE2 3.41Å; H272-E275 IonicContact CE1-OE1 3.09Å; H272-E275 IonicContact CG-OE1 3.22Å; H272-E275 IonicContact ND1-OE1 3.67Å; H272-E275 PolarHBondContact ND1-OE1 3.49Å; H272-E275 WeakPolarHBondContact O-CB 3.41Å; H272-E275 PolarHBondContact O-N 3.31Å; R273-E275 VanDerWaalsContact C-N 3.29Å; R273-E275 PolarHBondContact O-N 2.82Å; E275-Y277 VanDerWaalsContact C-N 3.32Å; E275-Y277 PolarHBondContact O-N 3.35Å; E275-S278 VanDerWaalsContact O-CB 3.22Å; E275-S278 WeakPolarHBondContact O-CB 3.36Å; E275-S278 PolarHBondContact O-N 3.25Å; E275-S278 VanDerWaalsContact O-N 3.14Å; E275-K281 HydrophobicContact CB-CD 4.12Å; E275-K281 IonicContact OE2-NZ 3.63Å; E275-K281 PolarHBondContact OE2-NZ 2.97Å
276F89.6Confident89.7Confident0 Ų065.9 Ų65.90%032%0.32CS..Hα-helixtrans-64.2-36.3176.1-176.5-103.7000112.7W35 G250 T252 L263 L265 V268 H272 R273 S278 F282W35-F276 HydrophobicContact CH2-CB 4.02Å; W35-F276 HydrophobicContact CH2-CD2 4.47Å; G250-F276 WeakPolarHBondContact O-CZ 3.13Å; T252-F276 HydrophobicContact CG2-CE2 3.89Å; L263-F276 HydrophobicContact CD2-CD2 3.83Å; L263-F276 HydrophobicContact CD2-CE2 3.83Å; L263-F276 HydrophobicContact CG-CD2 4.43Å; L263-F276 HydrophobicContact CG-CE2 4Å; L265-F276 HydrophobicContact CB-CE1 4.19Å; L265-F276 HydrophobicContact CD1-CD1 4Å; L265-F276 HydrophobicContact CD1-CE1 4.25Å; V268-F276 HydrophobicContact CG1-CB 4.07Å; V268-F276 HydrophobicContact CG2-CB 4.16Å; V268-F276 HydrophobicContact CG2-CD1 4.3Å; V268-F276 HydrophobicContact CG2-CD2 3.7Å; V268-F276 HydrophobicContact CG2-CE2 4.13Å; V268-F276 HydrophobicContact CG2-CG 3.79Å; H272-F276 PolarHBondContact O-N 3.47Å; H272-F276 VanDerWaalsContact O-N 3.11Å; R273-F276 WeakPolarHBondContact O-CB 3.3Å; R273-F276 PolarHBondContact O-N 2.68Å; R273-F276 VanDerWaalsContact O-N 3.16Å; F276-S278 PolarHBondContact O-N 3.36Å; F276-F282 HydrophobicContact CD2-CD2 4.37Å; F276-F282 HydrophobicContact CD2-CE2 4.32Å
277Y88.6Confident90.1Very high71 Ų7163 Ų6328%0.27830%0.302SS..Hα-helixtrans-72.3-14.4174.9-60.7-30000113.4V248 K249 L265 R273 D274 E275 V279V248-Y277 HydrophobicContact CB-CD1 4.38Å; V248-Y277 HydrophobicContact CG2-CD1 4.47Å; V248-Y277 WeakPolarHBondContact O-CD1 3.34Å; K249-Y277 HydrophobicContact CG-CE1 4.25Å; L265-Y277 HydrophobicContact CD1-CE1 3.81Å; L265-Y277 HydrophobicContact CD2-CE1 4.46Å; R273-Y277 HydrophobicContact CB-CE2 4.24Å; R273-Y277 VanDerWaalsContact O-CD2 3.29Å; R273-Y277 WeakPolarHBondContact O-CD2 3.34Å; R273-Y277 VanDerWaalsContact O-CG 3.29Å; R273-Y277 PolarHBondContact O-N 2.91Å; D274-Y277 PolarHBondContact O-N 2.93Å; E275-Y277 VanDerWaalsContact C-N 3.32Å; E275-Y277 PolarHBondContact O-N 3.35Å; Y277-V279 PolarHBondContact O-N 2.99Å
278S88.4Confident90.6Very high36 Ų3663.3 Ų63.325%0.25230%0.303SS..  trans-71.8111.3179.8-174.50000111.9D274 E275 F276 T280 K281 F282D274-S278 PolarHBondContact O-N 2.86Å; E275-S278 VanDerWaalsContact O-CB 3.22Å; E275-S278 WeakPolarHBondContact O-CB 3.36Å; E275-S278 PolarHBondContact O-N 3.25Å; E275-S278 VanDerWaalsContact O-N 3.14Å; F276-S278 PolarHBondContact O-N 3.36Å; S278-T280 PolarHBondContact O-N 3.04Å; S278-T280 PolarHBondContact OG-OG1 3.09Å; S278-K281 PolarHBondContact O-N 3.2Å; S278-F282 PolarHBondContact O-N 3.43Å
279V86.8Confident91Very high64 Ų6463.2 Ų63.239%0.38830%0.303SS..THydrogen-bonded Turntrans-64.3-19174.4-62.80000113.1K243 V248 Y277 K283K243-V279 HydrophobicContact CB-CG1 4.08Å; V248-V279 HydrophobicContact CG1-CG1 4.31Å; Y277-V279 PolarHBondContact O-N 2.99Å; V279-K283 WeakPolarHBondContact O-CA 3.3Å; V279-K283 WeakPolarHBondContact O-CG 3.49Å
280T85.4Confident91.3Very high109 Ų10962.4 Ų62.467%0.66930%0.298SS*.THydrogen-bonded Turntrans-76.8-34.3176.460.50000111.7S278S278-T280 PolarHBondContact O-N 3.04Å; S278-T280 PolarHBondContact OG-OG1 3.09Å
281K85.5Confident91.7Very high119 Ų11954.5 Ų54.552%0.51726%0.263SS..THydrogen-bonded Turntrans-80.1-49.2175.2-74.4-172.2166.8179.10111.6E275 S278E275-K281 HydrophobicContact CB-CD 4.12Å; E275-K281 IonicContact OE2-NZ 3.63Å; E275-K281 PolarHBondContact OE2-NZ 2.97Å; S278-K281 PolarHBondContact O-N 3.2Å
282F88.7Confident91.9Very high25 Ų2546.5 Ų46.511%0.1123%0.226CC..  trans-116.889.1-178.4-59.2-75.4000110W35 K243 T252 I254 F276 S278W35-F282 AromaticContact CH2-CE2 3.96Å; W35-F282 HydrophobicContact CH2-CE2 3.96Å; W35-F282 HydrophobicContact CH2-CZ 4.03Å; W35-F282 HydrophobicContact CZ2-CE2 4.07Å; W35-F282 HydrophobicContact CZ2-CZ 4.18Å; K243-F282 VanDerWaalsContact CD-O 3.25Å; K243-F282 WeakPolarHBondContact CD-O 3.32Å; K243-F282 WeakPolarHBondContact CE-O 3.49Å; T252-F282 HydrophobicContact CG2-CB 4.17Å; T252-F282 HydrophobicContact CG2-CD1 3.42Å; T252-F282 VanDerWaalsContact CG2-CD1 3.42Å; T252-F282 HydrophobicContact CG2-CE1 3.99Å; T252-F282 HydrophobicContact CG2-CG 3.92Å; I254-F282 HydrophobicContact CG2-CD1 4.43Å; I254-F282 HydrophobicContact CG2-CE1 3.78Å; F276-F282 HydrophobicContact CD2-CD2 4.37Å; F276-F282 HydrophobicContact CD2-CE2 4.32Å; S278-F282 PolarHBondContact O-N 3.43Å
283K89.2Confident92.2Very high127 Ų12746.8 Ų46.855%0.55223%0.226SC*.  trans-71.1-30.6-174.2-65.4-179.1180-179.20113.8K243 V279K243-K283 PolarHBondContact N-O 2.96Å; V279-K283 WeakPolarHBondContact O-CA 3.3Å; V279-K283 WeakPolarHBondContact O-CG 3.49Å
284Y92.5Very high92.5Very high51 Ų5142.3 Ų42.320%0.221%0.21CC..EExtended strand (participates in β ladder)trans-117.5156.1-170.8-49.8-66.2000112T241 D242 K243 T252 I344T241-Y284 CarbonylContact O-C 3.6Å; T241-Y284 VanDerWaalsContact O-CA 3.3Å; T241-Y284 WeakPolarHBondContact O-CA 3.4Å; D242-Y284 WeakPolarHBondContact OD1-CE1 3.05Å; K243-Y284 VanDerWaalsContact CE-O 3.22Å; K243-Y284 WeakPolarHBondContact CE-O 3.14Å; T252-Y284 WeakPolarHBondContact CB-O 3.24Å; T252-Y284 PolarHBondContact OG1-O 2.9Å; Y284-I344 HydrophobicContact CD1-CD1 3.63Å; Y284-I344 HydrophobicContact CD1-CG1 4.2Å; Y284-I344 HydrophobicContact CD1-CG2 3.98Å; Y284-I344 HydrophobicContact CD2-CD1 3.65Å; Y284-I344 HydrophobicContact CD2-CG1 4.45Å; Y284-I344 HydrophobicContact CE1-CD1 3.91Å; Y284-I344 HydrophobicContact CE1-CG1 3.98Å; Y284-I344 HydrophobicContact CE1-CG2 3.71Å; Y284-I344 HydrophobicContact CE2-CD1 3.93Å; Y284-I344 HydrophobicContact CE2-CG1 4.23Å; Y284-I344 HydrophobicContact CG-CD1 3.5Å; Y284-I344 HydrophobicContact CG-CG1 4.44Å
285F93.6Very high92.8Very high7 Ų738.7 Ų38.73%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-137.3159171.976.9-76.8000112.4L240 T241 D242 K243 D247 G251 F350L240-F285 CarbonylContact C-O 3.53Å; L240-F285 VanDerWaalsContact CA-O 3.23Å; L240-F285 WeakPolarHBondContact CA-O 3.49Å; T241-F285 HydrophobicContact CG2-CD1 3.99Å; T241-F285 HydrophobicContact CG2-CE1 3.22Å; T241-F285 HydrophobicContact CG2-CE2 4.37Å; T241-F285 HydrophobicContact CG2-CZ 3.45Å; T241-F285 VanDerWaalsContact CG2-CZ 3.45Å; T241-F285 PolarHBondContact N-O 3.32Å; T241-F285 VanDerWaalsContact O-CD1 3.26Å; T241-F285 WeakPolarHBondContact O-CD1 3.3Å; T241-F285 PolarHBondContact O-N 2.92Å; D242-F285 WeakPolarHBondContact O-CE1 3.31Å; K243-F285 HydrophobicContact CB-CD1 4.39Å; K243-F285 HydrophobicContact CD-CB 4.36Å; K243-F285 HydrophobicContact CG-CB 3.81Å; K243-F285 HydrophobicContact CG-CD1 3.78Å; K243-F285 HydrophobicContact CG-CG 4.19Å; D247-F285 HydrophobicContact CB-CD1 4Å; D247-F285 HydrophobicContact CB-CD2 4.49Å; D247-F285 HydrophobicContact CB-CE1 3.77Å; D247-F285 HydrophobicContact CB-CE2 4.31Å; D247-F285 HydrophobicContact CB-CG 4.34Å; D247-F285 HydrophobicContact CB-CZ 3.95Å; G251-F285 CarbonylContact O-C 3.51Å; G251-F285 WeakPolarHBondContact O-CA 3.47Å; G251-F285 VanDerWaalsContact O-CB 3.32Å; G251-F285 WeakPolarHBondContact O-CB 3.5Å; F285-F350 HydrophobicContact CE2-CD1 4.13Å; F285-F350 AromaticContact CE2-CE1 3.51Å; F285-F350 HydrophobicContact CE2-CE1 3.51Å; F285-F350 HydrophobicContact CE2-CE2 4.07Å; F285-F350 AromaticContact CE2-CZ 3.46Å; F285-F350 HydrophobicContact CE2-CZ 3.46Å; F285-F350 VanDerWaalsContact CE2-CZ 3.46Å; F285-F350 AromaticContact CZ-CD1 3.6Å; F285-F350 HydrophobicContact CZ-CD1 3.6Å; F285-F350 AromaticContact CZ-CE1 3.31Å; F285-F350 HydrophobicContact CZ-CE1 3.31Å; F285-F350 HydrophobicContact CZ-CE2 4.5Å; F285-F350 HydrophobicContact CZ-CG 4.32Å; F285-F350 AromaticContact CZ-CZ 3.79Å; F285-F350 HydrophobicContact CZ-CZ 3.79Å
286N95.6Very high93.1Very high18 Ų1836.1 Ų36.110%0.09618%0.183CC..EExtended strand (participates in β ladder)trans-69.8125.6-179.4178.223.1000112M238 L240 G251 L262 N288M238-N286 WeakPolarHBondContact CG-OD1 3.3Å; M238-N286 HydrophobicContact SD-CB 3.87Å; M238-N286 PolarHBondContact SD-OD1 3.43Å; M238-N286 VanDerWaalsContact SD-OD1 3.42Å; L240-N286 HydrophobicContact CD2-CB 4.33Å; G251-N286 PolarHBondContact O-N 3.24Å; L262-N286 HydrophobicContact CD1-CB 3.85Å; N286-N288 VanDerWaalsContact C-N 3.33Å; N286-N288 WeakPolarHBondContact OD1-CA 3.47Å; N286-N288 PolarHBondContact OD1-N 3.05Å
287T95.7Very high93.5Very high2 Ų236.1 Ų36.11%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-82.2-13.2175.364.50000113.3E239 T241 N289 V345 F350E239-T287 WeakPolarHBondContact CB-OG1 3.34Å; E239-T287 WeakPolarHBondContact O-CB 3.47Å; E239-T287 WeakPolarHBondContact O-CG2 3.49Å; E239-T287 PolarHBondContact O-N 3.29Å; E239-T287 VanDerWaalsContact O-N 3.07Å; E239-T287 PolarHBondContact O-OG1 3.04Å; T241-T287 HydrophobicContact CG2-CG2 3.82Å; T287-N289 PolarHBondContact O-N 3.35Å; T287-N289 WeakPolarHBondContact OG1-CB 3.36Å; T287-N289 PolarHBondContact OG1-N 3.05Å; T287-V345 HydrophobicContact CG2-CG2 4.31Å; T287-F350 HydrophobicContact CG2-CB 4Å; T287-F350 HydrophobicContact CG2-CD2 3.84Å; T287-F350 HydrophobicContact CG2-CG 4.09Å
288N96.1Very high93.9Very high14 Ų1436.4 Ų36.48%0.07519%0.186CC..EExtended strand (participates in β ladder)trans61.922.2-168.9-150.345.7000114N213 N286N213-N288 PolarHBondContact OD1-ND2 3.34Å; N286-N288 VanDerWaalsContact C-N 3.33Å; N286-N288 WeakPolarHBondContact OD1-CA 3.47Å; N286-N288 PolarHBondContact OD1-N 3.05Å
289N97.8Very high94.3Very high0 Ų039.8 Ų39.80%020%0.198CC..EExtended strand (participates in β ladder)trans-92.5108.8164-61.8-14.3000107.6F210 V211 N216 A219 E239 T287 R349F210-N289 HydrophobicContact CE2-CB 3.94Å; F210-N289 HydrophobicContact CZ-CB 4.37Å; V211-N289 CarbonylContact O-C 3.57Å; V211-N289 WeakPolarHBondContact O-CA 3.34Å; N216-N289 PolarHBondContact ND2-OD1 2.88Å; A219-N289 VanDerWaalsContact CB-OD1 3.28Å; A219-N289 WeakPolarHBondContact CB-OD1 3.37Å; E239-N289 HydrophobicContact CB-CB 3.95Å; E239-N289 VanDerWaalsContact CD-CB 3.46Å; E239-N289 HydrophobicContact CG-CB 3.99Å; E239-N289 PolarHBondContact N-O 3.08Å; E239-N289 PolarHBondContact OE2-ND2 2.72Å; T287-N289 PolarHBondContact O-N 3.35Å; T287-N289 WeakPolarHBondContact OG1-CB 3.36Å; T287-N289 PolarHBondContact OG1-N 3.05Å; N289-R349 PolarHBondContact ND2-O 2.99Å; N289-R349 VanDerWaalsContact ND2-O 3.09Å
290L97.7Very high94.7Very high0 Ų037.6 Ų37.60%018%0.184CC..EExtended strand (participates in β ladder)trans-121.2133.9-170.3-47.8174.8000109.7F210 V211 F236 V237 M238 M292 A330F210-L290 CarbonylContact C-O 3.56Å; F210-L290 WeakPolarHBondContact CA-O 3.39Å; V211-L290 HydrophobicContact CB-CB 4.33Å; V211-L290 PolarHBondContact N-O 2.91Å; V211-L290 PolarHBondContact O-N 2.96Å; F236-L290 HydrophobicContact CE1-CD2 4.02Å; F236-L290 HydrophobicContact CZ-CB 4.32Å; F236-L290 HydrophobicContact CZ-CD1 4.14Å; F236-L290 HydrophobicContact CZ-CD2 4.06Å; F236-L290 HydrophobicContact CZ-CG 4.4Å; V237-L290 WeakPolarHBondContact O-CA 3.39Å; M238-L290 HydrophobicContact CB-CD2 4.22Å; M238-L290 HydrophobicContact CE-CD2 3.99Å; M238-L290 HydrophobicContact CG-CD2 3.81Å; L290-M292 HydrophobicContact CB-CE 4.16Å; L290-A330 HydrophobicContact CD1-CB 3.75Å
291W97.8Very high95.1Very high0 Ų033.4 Ų33.40%016%0.158CC..EExtended strand (participates in β ladder)trans-114.1128.1173.7-5173.5000108.6L69 C209 F210 M221 D222 I225 M226 M229 F236 V237 E239L69-W291 HydrophobicContact CD1-CE3 4.32Å; L69-W291 HydrophobicContact CD1-CZ3 4.26Å; L69-W291 HydrophobicContact CD2-CZ3 4.19Å; C209-W291 WeakPolarHBondContact O-CA 3.27Å; F210-W291 HydrophobicContact CB-CD2 4.33Å; F210-W291 HydrophobicContact CB-CE3 3.9Å; F210-W291 HydrophobicContact CB-CH2 4.31Å; F210-W291 HydrophobicContact CB-CZ3 3.89Å; F210-W291 HydrophobicContact CD1-CH2 4.49Å; F210-W291 AromaticContact CD2-CD2 3.65Å; F210-W291 HydrophobicContact CD2-CD2 3.65Å; F210-W291 AromaticContact CD2-CE2 3.39Å; F210-W291 HydrophobicContact CD2-CE3 4.05Å; F210-W291 HydrophobicContact CD2-CG 4.19Å; F210-W291 AromaticContact CD2-CH2 3.99Å; F210-W291 HydrophobicContact CD2-CH2 3.99Å; F210-W291 AromaticContact CD2-CZ2 3.58Å; F210-W291 HydrophobicContact CD2-CZ2 3.58Å; F210-W291 HydrophobicContact CD2-CZ3 4.22Å; F210-W291 AromaticContact CD2-NE1 3.76Å; F210-W291 HydrophobicContact CE2-CD2 4.37Å; F210-W291 AromaticContact CE2-CE2 3.66Å; F210-W291 HydrophobicContact CE2-CH2 4.43Å; F210-W291 AromaticContact CE2-CZ2 3.7Å; F210-W291 HydrophobicContact CE2-CZ2 3.7Å; F210-W291 AromaticContact CE2-NE1 3.74Å; F210-W291 HydrophobicContact CG-CD2 4.3Å; F210-W291 HydrophobicContact CG-CE3 4.24Å; F210-W291 HydrophobicContact CG-CH2 4.02Å; F210-W291 HydrophobicContact CG-CZ2 4.07Å; F210-W291 HydrophobicContact CG-CZ3 4.11Å; F210-W291 HydrophobicContact CZ-CZ2 4.3Å; M221-W291 HydrophobicContact CE-CH2 3.68Å; M221-W291 HydrophobicContact CE-CZ3 3.78Å; M221-W291 HydrophobicContact SD-CH2 4.36Å; D222-W291 HydrophobicContact CB-CH2 4.5Å; D222-W291 HydrophobicContact CB-CZ2 4.29Å; I225-W291 HydrophobicContact CB-CZ2 4.31Å; I225-W291 HydrophobicContact CG2-CD2 4.17Å; I225-W291 HydrophobicContact CG2-CG 4.26Å; I225-W291 HydrophobicContact CG2-CZ2 4.32Å; M226-W291 HydrophobicContact CB-CZ3 4.05Å; M229-W291 HydrophobicContact CE-CB 4.26Å; M229-W291 HydrophobicContact SD-CB 3.54Å; M229-W291 VanDerWaalsContact SD-CB 3.54Å; F236-W291 CarbonylContact C-O 3.59Å; F236-W291 WeakPolarHBondContact CA-O 3.48Å; V237-W291 HydrophobicContact CB-CB 4.08Å; V237-W291 HydrophobicContact CB-CG 4.49Å; V237-W291 PolarHBondContact N-O 3.47Å; V237-W291 PolarHBondContact O-N 3.37Å; E239-W291 PolarHBondContact OE1-NE1 2.85Å
292M97.5Very high95.5Very high0 Ų031.4 Ų31.40%016%0.156CC..EExtended strand (participates in β ladder)trans-140.3146.2-171.8-65.1174.1-73.800112F188 Y189 Y208 C209 V211 E235 F236 L290 I297 F337F188-M292 HydrophobicContact CD1-CE 4.17Å; F188-M292 HydrophobicContact CE1-CE 3.66Å; Y189-M292 HydrophobicContact CE1-CE 4.23Å; Y189-M292 HydrophobicContact CE1-SD 3.49Å; Y189-M292 WeakPolarHBondContact CE1-SD 3.24Å; Y189-M292 PolarHBondContact OH-SD 2.95Å; Y208-M292 CarbonylContact C-O 3.59Å; Y208-M292 VanDerWaalsContact CA-O 3.29Å; Y208-M292 WeakPolarHBondContact CA-O 3.43Å; C209-M292 PolarHBondContact N-O 2.66Å; C209-M292 PolarHBondContact O-N 3.27Å; V211-M292 HydrophobicContact CB-CE 4Å; V211-M292 HydrophobicContact CG2-CE 3.23Å; E235-M292 CarbonylContact O-C 3.58Å; E235-M292 WeakPolarHBondContact O-CA 3.33Å; F236-M292 HydrophobicContact CD2-CG 3.41Å; F236-M292 VanDerWaalsContact CD2-CG 3.41Å; F236-M292 HydrophobicContact CD2-SD 3.68Å; F236-M292 HydrophobicContact CE2-CG 3.6Å; F236-M292 HydrophobicContact CE2-SD 3.29Å; F236-M292 WeakPolarHBondContact CE2-SD 3.36Å; F236-M292 HydrophobicContact CG-CG 4.03Å; F236-M292 HydrophobicContact CZ-CG 4.31Å; F236-M292 HydrophobicContact CZ-SD 4.07Å; L290-M292 HydrophobicContact CB-CE 4.16Å; M292-I297 HydrophobicContact CB-CD1 3.92Å; M292-I297 HydrophobicContact CB-CG1 4.47Å; M292-I297 HydrophobicContact SD-CD1 4.42Å; M292-F337 HydrophobicContact SD-CZ 4.44Å
293K97.3Very high95.7Very high55 Ų5533.1 Ų33.124%0.23917%0.166CC..EExtended strand (participates in β ladder)trans-80.3124.8173.3-165.8176.2-171.4175.30110.3E207 Y208 E235 S295 A296 I297E207-K293 CarbonylContact O-C 3.57Å; Y208-K293 HydrophobicContact CD1-CB 4.24Å; Y208-K293 HydrophobicContact CD1-CG 4.43Å; Y208-K293 HydrophobicContact CE1-CB 4.13Å; Y208-K293 HydrophobicContact CE1-CD 4.48Å; Y208-K293 HydrophobicContact CE1-CG 4.08Å; E235-K293 HydrophobicContact CB-CB 4.28Å; E235-K293 HydrophobicContact CG-CD 4.29Å; E235-K293 PolarHBondContact O-N 3.22Å; K293-S295 WeakPolarHBondContact CE-OG 3.23Å; K293-S295 PolarHBondContact O-N 2.7Å; K293-A296 HydrophobicContact CB-CB 4.11Å; K293-A296 PolarHBondContact O-N 2.74Å; K293-I297 PolarHBondContact O-N 3.15Å; K293-I297 VanDerWaalsContact O-N 3.14Å
294L97.7Very high95.7Very high0 Ų032.3 Ų32.30%017%0.168CC..Hα-helixtrans-63.3-39.9-176-69.3176.4000112.3V70 F192 L198 F201 L202 K206 E207 C209 A296 I297 K298V70-L294 HydrophobicContact CG2-CD1 4.36Å; V70-L294 HydrophobicContact CG2-CD2 4.37Å; F192-L294 HydrophobicContact CE1-CD2 3.74Å; F192-L294 HydrophobicContact CZ-CD2 4.37Å; L198-L294 HydrophobicContact CD1-CB 3.91Å; L198-L294 HydrophobicContact CD1-CD2 3.71Å; L198-L294 HydrophobicContact CD1-CG 4.35Å; F201-L294 HydrophobicContact CB-CD1 4.38Å; L202-L294 HydrophobicContact CD2-CB 3.68Å; L202-L294 HydrophobicContact CG-CB 4.19Å; K206-L294 HydrophobicContact CB-CD1 3.85Å; E207-L294 WeakPolarHBondContact O-CB 3.31Å; E207-L294 PolarHBondContact O-N 2.83Å; C209-L294 HydrophobicContact CB-CD2 3.83Å; L294-A296 VanDerWaalsContact C-N 3.35Å; L294-A296 PolarHBondContact O-N 3.2Å; L294-I297 WeakPolarHBondContact O-CB 3.22Å; L294-I297 PolarHBondContact O-N 2.85Å; L294-K298 PolarHBondContact O-N 2.77Å
295S97.1Very high95.7Very high56 Ų5635.8 Ų35.839%0.39218%0.184SC..Hα-helixtrans-66-37.7178.355.20000112.3K293 K298 Q299K293-S295 WeakPolarHBondContact CE-OG 3.23Å; K293-S295 PolarHBondContact O-N 2.7Å; S295-K298 PolarHBondContact O-N 2.73Å; S295-Q299 PolarHBondContact O-N 3.12Å
296A97.1Very high95.5Very high5 Ų536.7 Ų36.74%0.04119%0.189CC..Hα-helixtrans-64.3-41.8174.500000111.5E235 K293 L294 K298 Q299 L300 F337E235-A296 HydrophobicContact CB-CB 4.09Å; E235-A296 HydrophobicContact CG-CB 4.23Å; K293-A296 HydrophobicContact CB-CB 4.11Å; K293-A296 PolarHBondContact O-N 2.74Å; L294-A296 VanDerWaalsContact C-N 3.35Å; L294-A296 PolarHBondContact O-N 3.2Å; A296-K298 VanDerWaalsContact C-N 3.35Å; A296-K298 PolarHBondContact O-N 3.33Å; A296-Q299 PolarHBondContact O-N 2.81Å; A296-L300 WeakPolarHBondContact O-CB 3.43Å; A296-L300 VanDerWaalsContact O-CG 3.27Å; A296-L300 WeakPolarHBondContact O-CG 3.46Å; A296-L300 PolarHBondContact O-N 3.04Å; A296-F337 HydrophobicContact CB-CD1 3.83Å; A296-F337 HydrophobicContact CB-CE1 3.86Å
297I97Very high95.2Very high0 Ų039.5 Ų39.50%020%0.203CC..Hα-helixtrans-57-49.1173-66.3167.9000110.6F188 Y189 L198 M292 K293 L294 Q299 L300 V301 F337F188-I297 HydrophobicContact CE1-CD1 4.19Å; Y189-I297 HydrophobicContact CD1-CD1 4.39Å; Y189-I297 HydrophobicContact CD1-CG1 4.06Å; Y189-I297 HydrophobicContact CD1-CG2 3.96Å; Y189-I297 HydrophobicContact CE1-CD1 4.4Å; Y189-I297 HydrophobicContact CE1-CG1 4.21Å; L198-I297 HydrophobicContact CD2-CG2 3.95Å; M292-I297 HydrophobicContact CB-CD1 3.92Å; M292-I297 HydrophobicContact CB-CG1 4.47Å; M292-I297 HydrophobicContact SD-CD1 4.42Å; K293-I297 PolarHBondContact O-N 3.15Å; K293-I297 VanDerWaalsContact O-N 3.14Å; L294-I297 WeakPolarHBondContact O-CB 3.22Å; L294-I297 PolarHBondContact O-N 2.85Å; I297-Q299 PolarHBondContact O-N 2.78Å; I297-L300 PolarHBondContact O-N 3.41Å; I297-V301 HydrophobicContact CG2-CG2 4.31Å; I297-V301 WeakPolarHBondContact O-CB 3.49Å; I297-V301 VanDerWaalsContact O-CG2 3.28Å; I297-V301 WeakPolarHBondContact O-CG2 3.23Å; I297-V301 PolarHBondContact O-N 2.82Å; I297-F337 HydrophobicContact CG1-CE1 4.01Å; I297-F337 HydrophobicContact CG1-CZ 3.96Å
298K96.7Very high95Very high76 Ų7640.5 Ų40.533%0.3321%0.208SC..Hα-helixtrans-58.9-48.6179.9-177.6172.5175.2170.70111.3L198 D199 L202 L294 S295 A296 L300 V301 V302L198-K298 HydrophobicContact CD2-CB 3.83Å; L198-K298 HydrophobicContact CD2-CG 4.49Å; L198-K298 HydrophobicContact CG-CB 4.47Å; D199-K298 VanDerWaalsContact OD1-CE 3.26Å; D199-K298 WeakPolarHBondContact OD1-CE 3.44Å; D199-K298 IonicContact OD1-NZ 3.35Å; D199-K298 PolarHBondContact OD1-NZ 3.49Å; L202-K298 HydrophobicContact CD1-CB 4.28Å; L202-K298 HydrophobicContact CD1-CD 3.7Å; L294-K298 PolarHBondContact O-N 2.77Å; S295-K298 PolarHBondContact O-N 2.73Å; A296-K298 VanDerWaalsContact C-N 3.35Å; A296-K298 PolarHBondContact O-N 3.33Å; K298-L300 PolarHBondContact O-N 2.86Å; K298-V301 PolarHBondContact O-N 2.89Å; K298-V302 HydrophobicContact CG-CG2 4.3Å; K298-V302 WeakPolarHBondContact O-CB 3.38Å; K298-V302 VanDerWaalsContact O-CG2 3.26Å; K298-V302 WeakPolarHBondContact O-CG2 3.36Å; K298-V302 PolarHBondContact O-N 2.87Å
299Q96.5Very high94.6Very high107 Ų10741.3 Ų41.350%0.521%0.211SC..Hα-helixtrans-60.1-47.9-179.7-17163.338.600111.6S295 A296 I297 V301 V302 D303S295-Q299 PolarHBondContact O-N 3.12Å; A296-Q299 PolarHBondContact O-N 2.81Å; I297-Q299 PolarHBondContact O-N 2.78Å; Q299-V301 PolarHBondContact O-N 2.65Å; Q299-V302 PolarHBondContact O-N 3.47Å; Q299-D303 PolarHBondContact NE2-OD1 2.87Å; Q299-D303 PolarHBondContact NE2-OD2 2.8Å; Q299-D303 VanDerWaalsContact O-CB 3.25Å; Q299-D303 WeakPolarHBondContact O-CB 3.16Å; Q299-D303 PolarHBondContact O-N 3Å
300L95.7Very high94.2Very high19 Ų1942.7 Ų42.710%0.09922%0.219CC..Hα-helixtrans-65.5-36.9-178-70.9171000113A296 I297 K298 N304 K305 M306 N336 F337A296-L300 WeakPolarHBondContact O-CB 3.43Å; A296-L300 VanDerWaalsContact O-CG 3.27Å; A296-L300 WeakPolarHBondContact O-CG 3.46Å; A296-L300 PolarHBondContact O-N 3.04Å; I297-L300 PolarHBondContact O-N 3.41Å; K298-L300 PolarHBondContact O-N 2.86Å; L300-N304 PolarHBondContact O-N 2.94Å; L300-K305 HydrophobicContact CD2-CB 3.94Å; L300-K305 PolarHBondContact O-N 2.8Å; L300-M306 HydrophobicContact CB-CE 3.64Å; L300-M306 HydrophobicContact CD1-CE 4Å; L300-M306 HydrophobicContact CG-CE 4.49Å; L300-M306 PolarHBondContact O-N 3.03Å; L300-N336 HydrophobicContact CD1-CB 3.96Å; L300-N336 HydrophobicContact CD2-CB 4.16Å; L300-N336 WeakPolarHBondContact CD2-O 3.42Å; L300-F337 HydrophobicContact CD1-CD1 3.89Å; L300-F337 HydrophobicContact CD1-CD2 3.99Å; L300-F337 HydrophobicContact CD1-CE1 3.72Å; L300-F337 HydrophobicContact CD1-CE2 3.8Å; L300-F337 HydrophobicContact CD1-CG 4.03Å; L300-F337 HydrophobicContact CD1-CZ 3.68Å
301V93.6Very high93.6Very high20 Ų2043.8 Ų43.812%0.12122%0.224CC..Hα-helixtrans-73.2-44.3178174.50000111.1Y193 I297 K298 Q299 N304 M306Y193-V301 HydrophobicContact CD1-CG1 3.59Å; Y193-V301 HydrophobicContact CE1-CG1 4.32Å; Y193-V301 HydrophobicContact CG-CG1 3.91Å; I297-V301 HydrophobicContact CG2-CG2 4.31Å; I297-V301 WeakPolarHBondContact O-CB 3.49Å; I297-V301 VanDerWaalsContact O-CG2 3.28Å; I297-V301 WeakPolarHBondContact O-CG2 3.23Å; I297-V301 PolarHBondContact O-N 2.82Å; K298-V301 PolarHBondContact O-N 2.89Å; Q299-V301 PolarHBondContact O-N 2.65Å; V301-N304 PolarHBondContact O-N 2.94Å; V301-M306 HydrophobicContact CG2-CE 4.13Å
302V93.8Very high93.1Very high78 Ų7845.9 Ų45.947%0.47324%0.237SC..Hα-helixtrans-66.1-41.1179.3171.10000111.6Y193 K298 Q299 N304Y193-V302 HydrophobicContact CE1-CG2 4.43Å; Y193-V302 HydrophobicContact CE2-CG2 4.08Å; K298-V302 HydrophobicContact CG-CG2 4.3Å; K298-V302 WeakPolarHBondContact O-CB 3.38Å; K298-V302 VanDerWaalsContact O-CG2 3.26Å; K298-V302 WeakPolarHBondContact O-CG2 3.36Å; K298-V302 PolarHBondContact O-N 2.87Å; Q299-V302 PolarHBondContact O-N 3.47Å; V302-N304 PolarHBondContact O-N 2.78Å
303D93.8Very high92.6Very high61 Ų6148.1 Ų48.133%0.32625%0.249SC..THydrogen-bonded Turntrans-75.9-2.7177.3-72.6-1000113.4Q299 K305Q299-D303 PolarHBondContact NE2-OD1 2.87Å; Q299-D303 PolarHBondContact NE2-OD2 2.8Å; Q299-D303 VanDerWaalsContact O-CB 3.25Å; Q299-D303 WeakPolarHBondContact O-CB 3.16Å; Q299-D303 PolarHBondContact O-N 3Å; D303-K305 HydrophobicContact CB-CB 4.38Å; D303-K305 HydrophobicContact CB-CD 3.73Å; D303-K305 HydrophobicContact CB-CG 3.84Å; D303-K305 PolarHBondContact O-N 3.19Å; D303-K305 IonicContact OD2-NZ 3.25Å; D303-K305 PolarHBondContact OD2-NZ 3.5Å
304N89Confident92.1Very high109 Ų10950.3 Ų50.358%0.58327%0.269SS*.THydrogen-bonded Turntrans53.438-174.2-163.652.3000112.9R21 L300 V301 V302R21-N304 PolarHBondContact NH1-OD1 3.31Å; R21-N304 VanDerWaalsContact NH1-OD1 3.14Å; L300-N304 PolarHBondContact O-N 2.94Å; V301-N304 PolarHBondContact O-N 2.94Å; V302-N304 PolarHBondContact O-N 2.78Å
305K91.8Very high91.4Very high125 Ų12554.6 Ų54.654%0.54329%0.287SS..  trans-99.95.3179.5-72.3174.2-175155.90113.4L300 D303 D307L300-K305 HydrophobicContact CD2-CB 3.94Å; L300-K305 PolarHBondContact O-N 2.8Å; D303-K305 HydrophobicContact CB-CB 4.38Å; D303-K305 HydrophobicContact CB-CD 3.73Å; D303-K305 HydrophobicContact CB-CG 3.84Å; D303-K305 PolarHBondContact O-N 3.19Å; D303-K305 IonicContact OD2-NZ 3.25Å; D303-K305 PolarHBondContact OD2-NZ 3.5Å; K305-D307 PolarHBondContact O-N 2.76Å
306M90.3Very high90.8Very high26 Ų2656.3 Ų56.313%0.12830%0.296CS..  trans-76.686178.3-165.765.372.300110.7Y189 L300 V301 M308 A333 N336 F337Y189-M306 HydrophobicContact CD1-CE 3.71Å; Y189-M306 HydrophobicContact CD2-CE 4.15Å; Y189-M306 HydrophobicContact CD2-CG 4.25Å; Y189-M306 HydrophobicContact CD2-SD 4.04Å; Y189-M306 HydrophobicContact CE1-CE 4.29Å; Y189-M306 HydrophobicContact CE2-SD 4.35Å; Y189-M306 HydrophobicContact CG-CE 3.64Å; Y189-M306 HydrophobicContact CG-CG 4.46Å; Y189-M306 HydrophobicContact CG-SD 4.15Å; L300-M306 HydrophobicContact CB-CE 3.64Å; L300-M306 HydrophobicContact CD1-CE 4Å; L300-M306 HydrophobicContact CG-CE 4.49Å; L300-M306 PolarHBondContact O-N 3.03Å; V301-M306 HydrophobicContact CG2-CE 4.13Å; M306-M308 HydrophobicContact CG-CE 4.05Å; M306-A333 HydrophobicContact SD-CB 3.68Å; M306-N336 PolarHBondContact SD-ND2 2.81Å; M306-N336 VanDerWaalsContact SD-ND2 3.42Å; M306-F337 HydrophobicContact CE-CE2 4.42Å; M306-F337 HydrophobicContact CE-CZ 4.27Å; M306-F337 HydrophobicContact SD-CE2 4.48Å
307D89.3Confident89.9Confident76 Ų7657.3 Ų57.341%0.40630%0.3SS..  trans-90.3127.3174.9179.726.8000111K305 K335 N336K305-D307 PolarHBondContact O-N 2.76Å; D307-K335 WeakPolarHBondContact O-CE 3.26Å; D307-K335 IonicContact OD1-NZ 3.23Å; D307-K335 WeakPolarHBondContact OD2-CE 3.31Å; D307-K335 IonicContact OD2-NZ 3.62Å; D307-K335 PolarHBondContact OD2-NZ 2.71Å; D307-N336 PolarHBondContact N-ND2 2.86Å; D307-N336 PolarHBondContact O-ND2 3.08Å; D307-N336 PolarHBondContact O-OD1 3.19Å
308M91Very high88.8Confident23 Ų2365.3 Ų65.311%0.11334%0.343CS..  trans-140.3139.9178.2-68.8179.8-71.900109.3G186 Y189 M306 T328 A333G186-M308 WeakPolarHBondContact O-CE 3.48Å; Y189-M308 HydrophobicContact CD2-CE 4.27Å; Y189-M308 HydrophobicContact CD2-SD 4.06Å; Y189-M308 HydrophobicContact CE2-SD 3.95Å; M306-M308 HydrophobicContact CG-CE 4.05Å; M308-T328 HydrophobicContact CB-CG2 4.07Å; M308-T328 HydrophobicContact CE-CG2 4.4Å; M308-A333 HydrophobicContact CG-CB 4.01Å; M308-A333 HydrophobicContact SD-CB 4.05Å
309E88Confident87.7Confident31 Ų3165 Ų6515%0.14535%0.35CS..  trans-65.9139.1175.3-66.475.5-160.700111.3S332 K335E309-S332 VanDerWaalsContact OE2-CB 3.28Å; E309-S332 WeakPolarHBondContact OE2-CB 3.05Å; E309-S332 PolarHBondContact OE2-OG 2.73Å; E309-K335 WeakPolarHBondContact OE1-CE 3.34Å; E309-K335 IonicContact OE1-NZ 3.92Å; E309-K335 PolarHBondContact OE1-NZ 3.25Å; E309-K335 IonicContact OE2-NZ 2.88Å
310I88.5Confident86.8Confident29 Ų2962.4 Ų62.415%0.14935%0.352CS..EExtended strand (participates in β ladder)trans-84.9129.4179.5-66.6167.9000109.8L22 N25 F26 V312 L326L22-I310 WeakPolarHBondContact O-CD1 3.47Å; N25-I310 HydrophobicContact CB-CD1 3.46Å; N25-I310 VanDerWaalsContact CB-CD1 3.46Å; F26-I310 HydrophobicContact CB-CD1 3.84Å; F26-I310 HydrophobicContact CD2-CG2 4.49Å; I310-V312 HydrophobicContact CG2-CG2 4.18Å; I310-L326 HydrophobicContact CG2-CB 4.28Å; I310-L326 HydrophobicContact CG2-CD2 4.11Å
311I87.2Confident85.9Confident24 Ų2464 Ų6412%0.12336%0.36CS..EExtended strand (participates in β ladder)trans-96.6116171.7-59.4174.3000107.4P266 E327 A329P266-I311 HydrophobicContact CG-CG2 4.26Å; I311-E327 HydrophobicContact CB-CB 4.42Å; I311-E327 PolarHBondContact N-O 2.83Å; I311-E327 PolarHBondContact O-N 3.49Å; I311-A329 HydrophobicContact CD1-CB 3.92Å
312V87.2Confident85.4Confident43 Ų4367.9 Ų67.926%0.26138%0.377SS..EExtended strand (participates in β ladder)trans-95.1115.3176.8-174.60000108.2F26 I310 P314 L324 L326F26-V312 HydrophobicContact CD2-CG2 3.79Å; F26-V312 HydrophobicContact CE2-CG1 4.48Å; F26-V312 HydrophobicContact CE2-CG2 3.6Å; I310-V312 HydrophobicContact CG2-CG2 4.18Å; V312-P314 WeakPolarHBondContact O-CD 3.23Å; V312-L324 HydrophobicContact CG1-CD1 4.43Å; V312-L324 HydrophobicContact CG1-CD2 3.94Å; V312-L326 HydrophobicContact CB-CD2 4.48Å; V312-L326 HydrophobicContact CG1-CD2 4.28Å; V312-L326 HydrophobicContact CG2-CD2 4Å
313N86.5Confident84.9Confident48 Ų4864.2 Ų64.226%0.25736%0.355SS..EExtended strand (participates in β ladder)trans-111.697.7179.5-74.2-27.2000109.7Q325 E327N313-Q325 HydrophobicContact CB-CB 4.13Å; N313-Q325 PolarHBondContact N-O 3.37Å; N313-Q325 PolarHBondContact O-N 3Å; N313-E327 PolarHBondContact ND2-OE1 3.45Å
314P86.3Confident84.5Confident100 Ų10062.2 Ų62.265%0.64934%0.344SS*.EExtended strand (participates in β ladder)trans-64.8132.2168.9-17.330.8000110.3V312 V323 L324V312-P314 WeakPolarHBondContact O-CD 3.23Å; P314-V323 WeakPolarHBondContact CA-O 3.15Å; P314-L324 HydrophobicContact CB-CD2 4.12Å; P314-L324 HydrophobicContact CG-CD2 4.1Å
315K83.8Confident84.5Confident91 Ų9157.3 Ų57.340%0.39632%0.318SS..EExtended strand (participates in β ladder)trans-136.6158.7176.4-69.1-174.4176.1175.80110.2Y156 V323Y156-K315 HydrophobicContact CE1-CD 4.49Å; K315-V323 HydrophobicContact CB-CG2 3.87Å; K315-V323 PolarHBondContact N-O 3.26Å; K315-V323 WeakPolarHBondContact O-CG2 3.02Å; K315-V323 PolarHBondContact O-N 2.85Å
316T82.8Confident84.4Confident92 Ų9251.4 Ų51.456%0.56429%0.292SS*.EExtended strand (participates in β ladder)trans-114122.2168.3-50.30000107.1
317L78.3Confident84.4Confident25 Ų2551.9 Ų51.913%0.13129%0.294CS..  trans-70161.6175.1-63.4-178.3000110.3Y156 L169 S319 G320 I321 V323Y156-L317 HydrophobicContact CD2-CD2 4.35Å; Y156-L317 HydrophobicContact CE2-CD2 4.2Å; L169-L317 HydrophobicContact CD1-CD1 3.63Å; L317-S319 PolarHBondContact O-N 3.41Å; L317-G320 WeakPolarHBondContact O-CA 3.26Å; L317-G320 PolarHBondContact O-N 2.83Å; L317-I321 PolarHBondContact N-O 3.4Å; L317-V323 HydrophobicContact CD1-CG1 3.72Å; L317-V323 HydrophobicContact CD2-CG2 4.04Å; L317-V323 HydrophobicContact CG-CG1 3.76Å; L317-V323 HydrophobicContact CG-CG2 3.98Å
318D74.8Confident84.5Confident168 Ų16848.5 Ų48.590%0.89828%0.276SS*.THydrogen-bonded Turntrans-56.7-23.5175.5-62.7-24.9000112.9G320D318-G320 PolarHBondContact O-N 3.31Å
319S72.8Confident84.6Confident69 Ų6947.4 Ų47.448%0.48327%0.271SS..THydrogen-bonded Turntrans-73.6-3.5173.357.20000114.4L317 I321L317-S319 PolarHBondContact O-N 3.41Å; S319-I321 VanDerWaalsContact C-N 3.26Å; S319-I321 PolarHBondContact O-N 3.14Å
320G78Confident85Confident53 Ų5346 Ų4655%0.54626%0.264SS..SBendtrans81.1-1.9-173.900000114.4L317 D318 E322L317-G320 WeakPolarHBondContact O-CA 3.26Å; L317-G320 PolarHBondContact O-N 2.83Å; D318-G320 PolarHBondContact O-N 3.31Å; G320-E322 PolarHBondContact O-N 3.14Å
321I77.1Confident85.3Confident53 Ų5344.6 Ų44.627%0.27226%0.257SS..  trans-74.2124.3178.8-59.5174000109.2A158 L169 L317 S319 V323A158-I321 HydrophobicContact CB-CG2 4.06Å; L169-I321 HydrophobicContact CD2-CD1 4.38Å; L317-I321 PolarHBondContact N-O 3.4Å; S319-I321 VanDerWaalsContact C-N 3.26Å; S319-I321 PolarHBondContact O-N 3.14Å; I321-V323 HydrophobicContact CG2-CG1 4Å
322E83.5Confident85.6Confident102 Ų10243.4 Ų43.448%0.47725%0.251SS..EExtended strand (participates in β ladder)trans-73.8132170.2-64.1-171.8152.700110.5L159 G320L159-E322 HydrophobicContact CB-CB 4.2Å; L159-E322 HydrophobicContact CD1-CB 4.37Å; L159-E322 PolarHBondContact N-O 2.98Å; G320-E322 PolarHBondContact O-N 3.14Å
323V83.7Confident85.9Confident1 Ų141.4 Ų41.41%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-135.5153.3-175.1-57.30000112.5Y156 F157 L169 P314 K315 L317 I321Y156-V323 HydrophobicContact CD1-CB 4.16Å; Y156-V323 HydrophobicContact CD1-CG2 3.63Å; Y156-V323 HydrophobicContact CE1-CG2 4.11Å; Y156-V323 HydrophobicContact CG-CB 4.38Å; Y156-V323 HydrophobicContact CG-CG2 4.13Å; F157-V323 CarbonylContact O-C 3.57Å; F157-V323 WeakPolarHBondContact O-CA 3.49Å; F157-V323 VanDerWaalsContact O-CB 3.31Å; F157-V323 WeakPolarHBondContact O-CB 3.4Å; L169-V323 HydrophobicContact CD1-CB 4.28Å; L169-V323 HydrophobicContact CD1-CG1 3.25Å; P314-V323 WeakPolarHBondContact CA-O 3.15Å; K315-V323 HydrophobicContact CB-CG2 3.87Å; K315-V323 PolarHBondContact N-O 3.26Å; K315-V323 WeakPolarHBondContact O-CG2 3.02Å; K315-V323 PolarHBondContact O-N 2.85Å; L317-V323 HydrophobicContact CD1-CG1 3.72Å; L317-V323 HydrophobicContact CD2-CG2 4.04Å; L317-V323 HydrophobicContact CG-CG1 3.76Å; L317-V323 HydrophobicContact CG-CG2 3.98Å; I321-V323 HydrophobicContact CG2-CG1 4Å
324L85.6Confident86.4Confident18 Ų1839.1 Ų39.19%0.09423%0.227CC..EExtended strand (participates in β ladder)trans-103.7136166.9-62.4-178.8000110.8F157 L159 V312 P314F157-L324 HydrophobicContact CB-CB 4.29Å; F157-L324 PolarHBondContact N-O 3.39Å; F157-L324 PolarHBondContact O-N 3.47Å; L159-L324 HydrophobicContact CD1-CD2 3.86Å; L159-L324 HydrophobicContact CD1-CG 3.95Å; L159-L324 HydrophobicContact CD2-CD1 3.86Å; L159-L324 HydrophobicContact CD2-CG 3.92Å; L159-L324 HydrophobicContact CG-CD1 4.44Å; L159-L324 HydrophobicContact CG-CD2 4.42Å; L159-L324 HydrophobicContact CG-CG 3.94Å; V312-L324 HydrophobicContact CG1-CD1 4.43Å; V312-L324 HydrophobicContact CG1-CD2 3.94Å; P314-L324 HydrophobicContact CB-CD2 4.12Å; P314-L324 HydrophobicContact CG-CD2 4.1Å
325Q87.5Confident86.7Confident6 Ų635.6 Ų35.63%0.02820%0.201CC..EExtended strand (participates in β ladder)trans-112.7125.5168.1-169.2179.7-18.100108.7Y156 Y181 P182 N313 E327Y156-Q325 HydrophobicContact CD1-CB 4.18Å; Y156-Q325 HydrophobicContact CE1-CB 3.95Å; Y156-Q325 HydrophobicContact CE1-CG 4.09Å; Y181-Q325 HydrophobicContact CD1-CB 4.49Å; Y181-Q325 HydrophobicContact CD1-CG 3.74Å; Y181-Q325 HydrophobicContact CD2-CG 3.27Å; Y181-Q325 VanDerWaalsContact CD2-NE2 3.31Å; Y181-Q325 HydrophobicContact CE1-CB 4.37Å; Y181-Q325 HydrophobicContact CE1-CG 3.81Å; Y181-Q325 HydrophobicContact CE2-CG 3.4Å; Y181-Q325 VanDerWaalsContact CE2-CG 3.4Å; Y181-Q325 HydrophobicContact CG-CG 3.45Å; Y181-Q325 VanDerWaalsContact CG-CG 3.45Å; P182-Q325 PolarHBondContact O-NE2 2.78Å; N313-Q325 HydrophobicContact CB-CB 4.13Å; N313-Q325 PolarHBondContact N-O 3.37Å; N313-Q325 PolarHBondContact O-N 3Å; Q325-E327 HydrophobicContact CG-CG 4.02Å; Q325-E327 VanDerWaalsContact NE2-CD 3.26Å; Q325-E327 PolarHBondContact NE2-OE1 3.21Å; Q325-E327 PolarHBondContact OE1-OE1 2.91Å
326L89.4Confident87.2Confident2 Ų232.8 Ų32.81%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-103121.8177.4-56.5-177.1000108.6F23 F26 F157 Y181 I310 V312F23-L326 HydrophobicContact CD2-CD1 4.12Å; F26-L326 HydrophobicContact CB-CD1 3.93Å; F26-L326 HydrophobicContact CD1-CD1 4.37Å; F26-L326 HydrophobicContact CD2-CD2 3.88Å; F26-L326 HydrophobicContact CE2-CD2 4.26Å; F26-L326 HydrophobicContact CG-CD1 4.05Å; F26-L326 HydrophobicContact CG-CD2 4.12Å; F157-L326 HydrophobicContact CD2-CD1 4.43Å; F157-L326 HydrophobicContact CD2-CG 4.41Å; F157-L326 HydrophobicContact CE2-CD1 3.65Å; F157-L326 HydrophobicContact CE2-CG 3.98Å; F157-L326 HydrophobicContact CZ-CD1 4.25Å; Y181-L326 WeakPolarHBondContact CE2-O 3.45Å; Y181-L326 PolarHBondContact OH-N 2.92Å; Y181-L326 PolarHBondContact OH-O 3.45Å; I310-L326 HydrophobicContact CG2-CB 4.28Å; I310-L326 HydrophobicContact CG2-CD2 4.11Å; V312-L326 HydrophobicContact CB-CD2 4.48Å; V312-L326 HydrophobicContact CG1-CD2 4.28Å; V312-L326 HydrophobicContact CG2-CD2 4Å
327E91.1Very high87.8Confident35 Ų3529 Ų2916%0.16417%0.166CC..EExtended strand (participates in β ladder)trans-129.8162.2-178.4-62.2179.2-138.100110.6P183 I311 N313 Q325P183-E327 WeakPolarHBondContact O-CA 3.36Å; I311-E327 HydrophobicContact CB-CB 4.42Å; I311-E327 PolarHBondContact N-O 2.83Å; I311-E327 PolarHBondContact O-N 3.49Å; N313-E327 PolarHBondContact ND2-OE1 3.45Å; Q325-E327 HydrophobicContact CG-CG 4.02Å; Q325-E327 VanDerWaalsContact NE2-CD 3.26Å; Q325-E327 PolarHBondContact NE2-OE1 3.21Å; Q325-E327 PolarHBondContact OE1-OE1 2.91Å
328T92.2Very high88.5Confident5 Ų534.8 Ų34.83%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-125.4154.1167.255.30000110L22 P183 H185 G186 M308L22-T328 HydrophobicContact CD2-CG2 3.69Å; P183-T328 PolarHBondContact O-N 2.84Å; P183-T328 VanDerWaalsContact O-N 3.1Å; H185-T328 PolarHBondContact N-O 3.2Å; G186-T328 WeakPolarHBondContact CA-O 3.41Å; G186-T328 WeakPolarHBondContact CA-OG1 3.37Å; G186-T328 PolarHBondContact N-O 3.5Å; M308-T328 HydrophobicContact CB-CG2 4.07Å; M308-T328 HydrophobicContact CE-CG2 4.4Å
329A93.1Very high89.3Confident1 Ų129.1 Ų29.11%0.00817%0.174CC..  trans-102.3131.3175.700000110.3H185 I311 G331 S332H185-A329 VanDerWaalsContact CE1-CA 3.44Å; H185-A329 WeakPolarHBondContact CE1-CA 3.39Å; I311-A329 HydrophobicContact CD1-CB 3.92Å; A329-G331 PolarHBondContact O-N 2.97Å; A329-S332 VanDerWaalsContact O-CB 3.27Å; A329-S332 WeakPolarHBondContact O-CB 3.48Å; A329-S332 PolarHBondContact O-N 3.45Å
330A94.9Very high90.4Very high0 Ų026.5 Ų26.50%016%0.156CC..G310 helixtrans-52.9-40.1175.700000112.3H185 Y189 L290 S332 A333H185-A330 PolarHBondContact CE1-N 3.17Å; H185-A330 VanDerWaalsContact CE1-N 3.29Å; H185-A330 WeakPolarHBondContact ND1-CB 3.5Å; H185-A330 PolarHBondContact ND1-N 3.04Å; Y189-A330 HydrophobicContact CE2-CB 4.44Å; Y189-A330 PolarHBondContact OH-O 2.96Å; L290-A330 HydrophobicContact CD1-CB 3.75Å; A330-S332 PolarHBondContact O-N 3.25Å; A330-A333 WeakPolarHBondContact O-CB 3.38Å; A330-A333 PolarHBondContact O-N 3.27Å
331G94.6Very high91.1Very high0 Ų025.1 Ų25.10%014%0.136CC..G310 helixtrans-63.4-24.6177.700000114.6M238 A329 A333 I334M238-G331 VanDerWaalsContact CE-O 3.28Å; M238-G331 WeakPolarHBondContact CE-O 3.34Å; A329-G331 PolarHBondContact O-N 2.97Å; G331-A333 PolarHBondContact O-N 2.85Å; G331-I334 WeakPolarHBondContact O-CB 3.47Å; G331-I334 VanDerWaalsContact O-CG2 3.25Å; G331-I334 WeakPolarHBondContact O-CG2 3.38Å; G331-I334 PolarHBondContact O-N 3.38Å
332S93.6Very high92Very high0 Ų022.6 Ų22.60%012%0.123CC..G310 helixtrans-65.8-23177.3-720000113E309 A329 A330 I334E309-S332 VanDerWaalsContact OE2-CB 3.28Å; E309-S332 WeakPolarHBondContact OE2-CB 3.05Å; E309-S332 PolarHBondContact OE2-OG 2.73Å; A329-S332 VanDerWaalsContact O-CB 3.27Å; A329-S332 WeakPolarHBondContact O-CB 3.48Å; A329-S332 PolarHBondContact O-N 3.45Å; A330-S332 PolarHBondContact O-N 3.25Å; S332-I334 PolarHBondContact O-N 2.6Å
333A94.8Very high92.6Very high0 Ų018 Ų180%010%0.102CC..G310 helixtrans-68.3-12.6178.300000113.3Y189 M306 M308 A330 G331 K335 N336 F337Y189-A333 HydrophobicContact CD2-CB 4.3Å; Y189-A333 HydrophobicContact CE1-CB 4.49Å; Y189-A333 HydrophobicContact CE2-CB 3.41Å; Y189-A333 VanDerWaalsContact CE2-CB 3.41Å; Y189-A333 WeakPolarHBondContact OH-CB 3.46Å; M306-A333 HydrophobicContact SD-CB 3.68Å; M308-A333 HydrophobicContact CG-CB 4.01Å; M308-A333 HydrophobicContact SD-CB 4.05Å; A330-A333 WeakPolarHBondContact O-CB 3.38Å; A330-A333 PolarHBondContact O-N 3.27Å; G331-A333 PolarHBondContact O-N 2.85Å; A333-K335 PolarHBondContact O-N 3.41Å; A333-N336 WeakPolarHBondContact O-CB 3.4Å; A333-N336 PolarHBondContact O-N 3.46Å; A333-N336 PolarHBondContact O-ND2 3.21Å; A333-F337 HydrophobicContact CB-CE2 4.03Å; A333-F337 WeakPolarHBondContact O-CD2 3.26Å
334I95.6Very high93.1Very high0 Ų018.6 Ų18.60%011%0.105CC..G310 helixtrans-49.1-35.6-177.4-169.6170.2000113.3F236 M238 L253 I260 G331 S332 N336 F337 A340F236-I334 HydrophobicContact CD1-CB 4.06Å; F236-I334 HydrophobicContact CD1-CD1 3.98Å; F236-I334 HydrophobicContact CD1-CG1 3.64Å; F236-I334 HydrophobicContact CE1-CB 3.89Å; F236-I334 HydrophobicContact CE1-CD1 4.11Å; F236-I334 HydrophobicContact CE1-CG1 3.91Å; F236-I334 HydrophobicContact CG-CG1 4.2Å; F236-I334 HydrophobicContact CZ-CB 4.16Å; M238-I334 HydrophobicContact CB-CD1 4.06Å; M238-I334 HydrophobicContact CE-CB 4.32Å; M238-I334 HydrophobicContact CE-CD1 4.16Å; M238-I334 HydrophobicContact CE-CG2 4.43Å; L253-I334 HydrophobicContact CD1-CD1 4.06Å; L253-I334 HydrophobicContact CD2-CD1 3.95Å; L253-I334 HydrophobicContact CD2-CG2 4.32Å; I260-I334 HydrophobicContact CG2-CD1 4.12Å; G331-I334 WeakPolarHBondContact O-CB 3.47Å; G331-I334 VanDerWaalsContact O-CG2 3.25Å; G331-I334 WeakPolarHBondContact O-CG2 3.38Å; G331-I334 PolarHBondContact O-N 3.38Å; S332-I334 PolarHBondContact O-N 2.6Å; I334-N336 PolarHBondContact O-N 3.34Å; I334-F337 PolarHBondContact O-N 3.03Å; I334-A340 HydrophobicContact CD1-CB 4.36Å; I334-A340 HydrophobicContact CG1-CB 3.64Å; I334-A340 WeakPolarHBondContact O-CB 3.3Å
335K93.6Very high93.6Very high27 Ų2717.8 Ų17.812%0.11710%0.101CC..G310 helixtrans-65.5-18.6-179.770.3-177.31731740114.2V259 I260 R261 D307 E309 A333V259-K335 HydrophobicContact CG1-CB 3.82Å; I260-K335 WeakPolarHBondContact O-CA 3.16Å; I260-K335 WeakPolarHBondContact O-CB 3.41Å; R261-K335 HydrophobicContact CG-CB 4.01Å; R261-K335 HydrophobicContact CG-CD 4.31Å; D307-K335 WeakPolarHBondContact O-CE 3.26Å; D307-K335 IonicContact OD1-NZ 3.23Å; D307-K335 WeakPolarHBondContact OD2-CE 3.31Å; D307-K335 IonicContact OD2-NZ 3.62Å; D307-K335 PolarHBondContact OD2-NZ 2.71Å; E309-K335 WeakPolarHBondContact OE1-CE 3.34Å; E309-K335 IonicContact OE1-NZ 3.92Å; E309-K335 PolarHBondContact OE1-NZ 3.25Å; E309-K335 IonicContact OE2-NZ 2.88Å; A333-K335 PolarHBondContact O-N 3.41Å
336N94.4Very high93.8Very high31 Ų3120.1 Ų20.117%0.16612%0.116CC..G310 helixtrans-89.1-12.7-177.1-54.3-32.1000112.7L300 M306 D307 A333 I334L300-N336 HydrophobicContact CD1-CB 3.96Å; L300-N336 HydrophobicContact CD2-CB 4.16Å; L300-N336 WeakPolarHBondContact CD2-O 3.42Å; M306-N336 PolarHBondContact SD-ND2 2.81Å; M306-N336 VanDerWaalsContact SD-ND2 3.42Å; D307-N336 PolarHBondContact N-ND2 2.86Å; D307-N336 PolarHBondContact O-ND2 3.08Å; D307-N336 PolarHBondContact O-OD1 3.19Å; A333-N336 WeakPolarHBondContact O-CB 3.4Å; A333-N336 PolarHBondContact O-N 3.46Å; A333-N336 PolarHBondContact O-ND2 3.21Å; I334-N336 PolarHBondContact O-N 3.34Å
337F95.4Very high93.9Very high12 Ų1223.9 Ų23.95%0.05313%0.13CC..SBendtrans-99.1143.3-173.6-71-96.5000111.7Y189 E235 F236 M292 A296 I297 L300 M306 A333 I334 A340Y189-F337 HydrophobicContact CE1-CE2 4.4Å; Y189-F337 HydrophobicContact CE1-CZ 4.06Å; E235-F337 HydrophobicContact CB-CB 4.13Å; E235-F337 HydrophobicContact CB-CD1 3.91Å; F236-F337 HydrophobicContact CB-CB 3.55Å; F236-F337 HydrophobicContact CB-CD1 4.14Å; F236-F337 HydrophobicContact CB-CD2 4.11Å; F236-F337 HydrophobicContact CB-CG 3.69Å; F236-F337 HydrophobicContact CD2-CB 4.42Å; F236-F337 HydrophobicContact CD2-CD1 4.22Å; F236-F337 AromaticContact CD2-CD2 3.34Å; F236-F337 HydrophobicContact CD2-CD2 3.34Å; F236-F337 HydrophobicContact CD2-CE1 4.31Å; F236-F337 AromaticContact CD2-CE2 3.47Å; F236-F337 HydrophobicContact CD2-CE2 3.47Å; F236-F337 VanDerWaalsContact CD2-CE2 3.47Å; F236-F337 AromaticContact CD2-CG 3.75Å; F236-F337 HydrophobicContact CD2-CG 3.75Å; F236-F337 AromaticContact CD2-CZ 3.96Å; F236-F337 HydrophobicContact CD2-CZ 3.96Å; F236-F337 HydrophobicContact CE2-CD2 4.07Å; F236-F337 AromaticContact CE2-CE2 3.88Å; F236-F337 HydrophobicContact CE2-CE2 3.88Å; F236-F337 HydrophobicContact CE2-CZ 4.47Å; F236-F337 HydrophobicContact CG-CB 4.39Å; F236-F337 HydrophobicContact CG-CD2 4.1Å; F236-F337 HydrophobicContact CG-CG 4.18Å; M292-F337 HydrophobicContact SD-CZ 4.44Å; A296-F337 HydrophobicContact CB-CD1 3.83Å; A296-F337 HydrophobicContact CB-CE1 3.86Å; I297-F337 HydrophobicContact CG1-CE1 4.01Å; I297-F337 HydrophobicContact CG1-CZ 3.96Å; L300-F337 HydrophobicContact CD1-CD1 3.89Å; L300-F337 HydrophobicContact CD1-CD2 3.99Å; L300-F337 HydrophobicContact CD1-CE1 3.72Å; L300-F337 HydrophobicContact CD1-CE2 3.8Å; L300-F337 HydrophobicContact CD1-CG 4.03Å; L300-F337 HydrophobicContact CD1-CZ 3.68Å; M306-F337 HydrophobicContact CE-CE2 4.42Å; M306-F337 HydrophobicContact CE-CZ 4.27Å; M306-F337 HydrophobicContact SD-CE2 4.48Å; A333-F337 HydrophobicContact CB-CE2 4.03Å; A333-F337 WeakPolarHBondContact O-CD2 3.26Å; I334-F337 PolarHBondContact O-N 3.03Å; F337-A340 HydrophobicContact CB-CB 4.29Å
338Q92.9Very high93.9Very high148 Ų14826.3 Ų26.369%0.69215%0.152SC*.THydrogen-bonded Turntrans-79.5140.5177.5-60.1-171.7-3.900111E235 A340E235-Q338 WeakPolarHBondContact CB-O 3.4Å; E235-Q338 HydrophobicContact CG-CB 4.38Å; E235-Q338 WeakPolarHBondContact CG-O 3.28Å; E235-Q338 PolarHBondContact N-O 3.07Å; E235-Q338 WeakPolarHBondContact OE2-CB 3.44Å; E235-Q338 PolarHBondContact OE2-N 3.13Å; Q338-A340 PolarHBondContact O-N 2.82Å
339G92.3Very high94Very high49 Ų4926.5 Ų26.551%0.50515%0.152SC..THydrogen-bonded Turntrans60.329-178.700000113.3N234N234-G339 WeakPolarHBondContact CB-O 3.41Å; N234-G339 PolarHBondContact ND2-O 2.69Å
340A94.3Very high94.1Very high14 Ų1427.8 Ų27.812%0.11616%0.157CC..  trans-66.3135.3179.600000111.7F236 I260 I334 F337 Q338F236-A340 HydrophobicContact CB-CB 4.03Å; F236-A340 VanDerWaalsContact O-CA 3.29Å; F236-A340 WeakPolarHBondContact O-CA 3.45Å; I260-A340 VanDerWaalsContact CD1-O 3.26Å; I260-A340 WeakPolarHBondContact CD1-O 3.39Å; I334-A340 HydrophobicContact CD1-CB 4.36Å; I334-A340 HydrophobicContact CG1-CB 3.64Å; I334-A340 WeakPolarHBondContact O-CB 3.3Å; F337-A340 HydrophobicContact CB-CB 4.29Å; Q338-A340 PolarHBondContact O-N 2.82Å
341I94.5Very high94Very high24 Ų2429 Ų2912%0.12316%0.163CC..EExtended strand (participates in β ladder)trans-137157.2-178.761.3166.5000112.5A45 N234 F236 V237 M238 V343A45-I341 WeakPolarHBondContact O-CA 3.44Å; N234-I341 HydrophobicContact CB-CG1 4.47Å; N234-I341 WeakPolarHBondContact OD1-CD1 3.3Å; F236-I341 PolarHBondContact O-N 3.46Å; V237-I341 WeakPolarHBondContact CA-O 3.27Å; V237-I341 HydrophobicContact CB-CG1 4.45Å; V237-I341 HydrophobicContact CG1-CG1 4.29Å; V237-I341 HydrophobicContact CG2-CD1 4.23Å; V237-I341 HydrophobicContact CG2-CG1 3.86Å; M238-I341 PolarHBondContact N-O 2.9Å; I341-V343 HydrophobicContact CD1-CG2 4.3Å
342G95.3Very high93.9Very high0 Ų030.3 Ų30.30%017%0.172CC..EExtended strand (participates in β ladder)trans-94.7144.4163.300000111.5A45 V46 S47 M238A45-G342 PolarHBondContact O-N 3.42Å; V46-G342 CarbonylContact C-O 3.57Å; V46-G342 VanDerWaalsContact CA-O 3.25Å; V46-G342 WeakPolarHBondContact CA-O 3.06Å; S47-G342 PolarHBondContact N-O 2.88Å; M238-G342 CarbonylContact O-C 3.54Å; M238-G342 VanDerWaalsContact O-CA 3.27Å; M238-G342 WeakPolarHBondContact O-CA 3.4Å
343V95.4Very high93.9Very high6 Ų630.4 Ų30.44%0.03617%0.173CC..EExtended strand (participates in β ladder)trans-120.4120.5171.11760000108.7S47 V237 M238 E239 L240 I341 V345S47-V343 WeakPolarHBondContact O-CA 3.29Å; S47-V343 WeakPolarHBondContact OG-CG2 3.14Å; V237-V343 HydrophobicContact CG1-CB 4.16Å; V237-V343 HydrophobicContact CG1-CG2 3.36Å; M238-V343 PolarHBondContact O-N 3.11Å; E239-V343 CarbonylContact C-O 3.55Å; E239-V343 WeakPolarHBondContact CA-O 3.3Å; L240-V343 PolarHBondContact N-O 2.96Å; I341-V343 HydrophobicContact CD1-CG2 4.3Å; V343-V345 HydrophobicContact CG1-CG1 4Å; V343-V345 PolarHBondContact O-N 3.31Å
344I95.5Very high93.6Very high12 Ų1234.6 Ų34.66%0.06219%0.191CC..EExtended strand (participates in β ladder)trans-76.8108.2175.6-51.2-48.2000109.3V46 S47 F48 Y49 L240 Y284V46-I344 HydrophobicContact CG1-CD1 3.43Å; V46-I344 VanDerWaalsContact CG1-CD1 3.43Å; V46-I344 HydrophobicContact CG1-CG1 3.44Å; V46-I344 VanDerWaalsContact CG1-CG1 3.44Å; S47-I344 PolarHBondContact O-N 2.99Å; F48-I344 HydrophobicContact CD1-CB 4.01Å; F48-I344 HydrophobicContact CD1-CG1 4.16Å; F48-I344 HydrophobicContact CD1-CG2 4.41Å; F48-I344 HydrophobicContact CE1-CB 4.36Å; F48-I344 HydrophobicContact CE1-CG1 4.12Å; Y49-I344 WeakPolarHBondContact CB-O 3.46Å; Y49-I344 PolarHBondContact N-O 3.31Å; L240-I344 HydrophobicContact CB-CD1 3.62Å; L240-I344 HydrophobicContact CD1-CD1 3.8Å; L240-I344 HydrophobicContact CG-CD1 4.29Å; L240-I344 CarbonylContact O-C 3.59Å; L240-I344 WeakPolarHBondContact O-CA 3.36Å; Y284-I344 HydrophobicContact CD1-CD1 3.63Å; Y284-I344 HydrophobicContact CD1-CG1 4.2Å; Y284-I344 HydrophobicContact CD1-CG2 3.98Å; Y284-I344 HydrophobicContact CD2-CD1 3.65Å; Y284-I344 HydrophobicContact CD2-CG1 4.45Å; Y284-I344 HydrophobicContact CE1-CD1 3.91Å; Y284-I344 HydrophobicContact CE1-CG1 3.98Å; Y284-I344 HydrophobicContact CE1-CG2 3.71Å; Y284-I344 HydrophobicContact CE2-CD1 3.93Å; Y284-I344 HydrophobicContact CE2-CG1 4.23Å; Y284-I344 HydrophobicContact CG-CD1 3.5Å; Y284-I344 HydrophobicContact CG-CG1 4.44Å
345V95Very high93.4Very high2 Ų239.9 Ų39.91%0.01221%0.214CC..  trans-102.9151.7179.4-62.80000112.2Y49 I225 E239 L240 T241 T287 V343 R349Y49-V345 HydrophobicContact CD2-CG1 4.2Å; I225-V345 HydrophobicContact CD1-CG1 3.88Å; E239-V345 HydrophobicContact CB-CG1 4.03Å; E239-V345 HydrophobicContact CB-CG2 3.88Å; E239-V345 HydrophobicContact CG-CG1 3.85Å; E239-V345 HydrophobicContact CG-CG2 4.47Å; L240-V345 WeakPolarHBondContact O-CG2 3.48Å; L240-V345 PolarHBondContact O-N 3.24Å; T241-V345 WeakPolarHBondContact CB-O 3.47Å; T241-V345 PolarHBondContact OG1-O 3.18Å; T287-V345 HydrophobicContact CG2-CG2 4.31Å; V343-V345 HydrophobicContact CG1-CG1 4Å; V343-V345 PolarHBondContact O-N 3.31Å; V345-R349 HydrophobicContact CB-CB 4.44Å; V345-R349 HydrophobicContact CG2-CB 4.09Å
346P92.9Very high93.4Very high54 Ų5438.8 Ų38.835%0.35121%0.209SC..  trans-62151.2171.527.3-35.8000111.3Y49 S348 R349Y49-P346 HydrophobicContact CD1-CG 4.42Å; Y49-P346 HydrophobicContact CE1-CG 4.43Å; P346-S348 WeakPolarHBondContact CG-OG 3.32Å; P346-S348 PolarHBondContact O-N 3.02Å; P346-R349 PolarHBondContact O-N 2.76Å
347R90.9Very high93.4Very high81 Ų8139.5 Ų39.531%0.30621%0.212SC..G310 helixtrans-60.8-15.9-179.9-160.6173-174.496.3-0.7113.7D242 T244 D247 R349 F350D242-R347 PolarHBondContact O-NH1 3.12Å; T244-R347 PolarHBondContact OG1-NH2 3.05Å; D247-R347 IonicContact OD1-NH2 2.91Å; D247-R347 PolarHBondContact OD1-NH2 3.13Å; D247-R347 IonicContact OD2-CZ 2.78Å; D247-R347 VanDerWaalsContact OD2-CZ 3.25Å; D247-R347 IonicContact OD2-NH1 3.99Å; D247-R347 PolarHBondContact OD2-NH1 3.49Å; D247-R347 IonicContact OD2-NH2 3.71Å; D247-R347 PolarHBondContact OD2-NH2 3.19Å; R347-R349 PolarHBondContact O-N 2.89Å; R347-R349 VanDerWaalsContact O-N 3.14Å; R347-F350 CarbonylContact O-C 3.5Å; R347-F350 WeakPolarHBondContact O-CA 3.5Å; R347-F350 PolarHBondContact O-N 2.66Å; R347-F350 VanDerWaalsContact O-O 3.12Å
348S91.3Very high93.3Very high87 Ų8740.6 Ų40.661%0.60822%0.218SC*.G310 helixtrans-56.1-25.6170.654.40000113.2G218 P346 F350G218-S348 WeakPolarHBondContact CA-O 3.31Å; P346-S348 WeakPolarHBondContact CG-OG 3.32Å; P346-S348 PolarHBondContact O-N 3.02Å; S348-F350 VanDerWaalsContact C-N 3.35Å
349R94.2Very high93.3Very high8 Ų833.5 Ų33.53%0.0319%0.185CC..G310 helixtrans-86.1-5.2174.7-63.3-172.457.773.82.2114.4N216 G218 T220 D222 E239 N289 V345 P346 R347N216-R349 PolarHBondContact ND2-O 2.67Å; N216-R349 VanDerWaalsContact ND2-O 3.08Å; G218-R349 CarbonylContact C-O 3.57Å; G218-R349 VanDerWaalsContact O-CA 3.29Å; G218-R349 WeakPolarHBondContact O-CA 3.33Å; T220-R349 VanDerWaalsContact O-CZ 3.29Å; T220-R349 PolarHBondContact O-NH1 3.37Å; T220-R349 PolarHBondContact O-NH2 3.49Å; T220-R349 PolarHBondContact OG1-NH1 2.93Å; D222-R349 IonicContact OD2-NH1 2.68Å; E239-R349 IonicContact OE1-CZ 3.63Å; E239-R349 IonicContact OE1-NE 3.17Å; E239-R349 PolarHBondContact OE1-NE 2.81Å; E239-R349 IonicContact OE1-NH2 2.78Å; E239-R349 PolarHBondContact OE1-NH2 3.22Å; E239-R349 IonicContact OE2-CZ 2.59Å; E239-R349 IonicContact OE2-NE 3.51Å; E239-R349 PolarHBondContact OE2-NE 2.82Å; E239-R349 IonicContact OE2-NH2 3.8Å; E239-R349 PolarHBondContact OE2-NH2 2.81Å; N289-R349 PolarHBondContact ND2-O 2.99Å; N289-R349 VanDerWaalsContact ND2-O 3.09Å; V345-R349 HydrophobicContact CB-CB 4.44Å; V345-R349 HydrophobicContact CG2-CB 4.09Å; P346-R349 PolarHBondContact O-N 2.76Å; R347-R349 PolarHBondContact O-N 2.89Å; R347-R349 VanDerWaalsContact O-N 3.14Å
350F94.3Very high93.5Very high29 Ų2931.2 Ų31.213%0.12716%0.161CC..  trans-123.982.1179.8-171.3-106.6000110.6T241 F285 T287 R347 S348 P352T241-F350 HydrophobicContact CG2-CB 4.12Å; T241-F350 HydrophobicContact CG2-CD1 4.27Å; T241-F350 HydrophobicContact CG2-CG 4.25Å; F285-F350 HydrophobicContact CE2-CD1 4.13Å; F285-F350 AromaticContact CE2-CE1 3.51Å; F285-F350 HydrophobicContact CE2-CE1 3.51Å; F285-F350 HydrophobicContact CE2-CE2 4.07Å; F285-F350 AromaticContact CE2-CZ 3.46Å; F285-F350 HydrophobicContact CE2-CZ 3.46Å; F285-F350 VanDerWaalsContact CE2-CZ 3.46Å; F285-F350 AromaticContact CZ-CD1 3.6Å; F285-F350 HydrophobicContact CZ-CD1 3.6Å; F285-F350 AromaticContact CZ-CE1 3.31Å; F285-F350 HydrophobicContact CZ-CE1 3.31Å; F285-F350 HydrophobicContact CZ-CE2 4.5Å; F285-F350 HydrophobicContact CZ-CG 4.32Å; F285-F350 AromaticContact CZ-CZ 3.79Å; F285-F350 HydrophobicContact CZ-CZ 3.79Å; T287-F350 HydrophobicContact CG2-CB 4Å; T287-F350 HydrophobicContact CG2-CD2 3.84Å; T287-F350 HydrophobicContact CG2-CG 4.09Å; R347-F350 CarbonylContact O-C 3.5Å; R347-F350 WeakPolarHBondContact O-CA 3.5Å; R347-F350 PolarHBondContact O-N 2.66Å; R347-F350 VanDerWaalsContact O-O 3.12Å; S348-F350 VanDerWaalsContact C-N 3.35Å; F350-P352 HydrophobicContact CD1-CG 4.21Å; F350-P352 HydrophobicContact CE1-CG 3.66Å; F350-P352 HydrophobicContact CE2-CG 4.06Å; F350-P352 HydrophobicContact CZ-CB 4.46Å; F350-P352 HydrophobicContact CZ-CG 3.6Å; F350-P352 WeakPolarHBondContact O-CD 3.47Å
351L93.2Very high93.4Very high24 Ų2431.5 Ų31.513%0.12616%0.16CC..  trans-121.466.5177-170.461.4000110.3N216 L217 V362 Y367 L374N216-L351 PolarHBondContact OD1-N 2.89Å; N216-L351 PolarHBondContact OD1-O 2.64Å; L217-L351 HydrophobicContact CB-CD2 4.28Å; L217-L351 PolarHBondContact N-O 3.04Å; L351-V362 HydrophobicContact CD1-CG1 4.33Å; L351-V362 HydrophobicContact CD2-CG1 3.73Å; L351-V362 HydrophobicContact CG-CG1 4.06Å; L351-Y367 HydrophobicContact CD1-CE1 4.43Å; L351-Y367 VanDerWaalsContact CD1-OH 3.32Å; L351-Y367 WeakPolarHBondContact CD1-OH 3.25Å; L351-Y367 HydrophobicContact CD2-CD1 4.24Å; L351-Y367 HydrophobicContact CD2-CE1 3.67Å; L351-L374 HydrophobicContact CD2-CB 4.46Å; L351-L374 HydrophobicContact CD2-CD1 4.39Å
352P92.9Very high93.4Very high29 Ų2930.4 Ų30.419%0.18816%0.155CC..BIsolated β-bridgetrans-73.6137.5177.233-36.9000111.3D215 F350 K354D215-P352 CarbonylContact O-C 3.55Å; D215-P352 WeakPolarHBondContact O-CA 3.06Å; F350-P352 HydrophobicContact CD1-CG 4.21Å; F350-P352 HydrophobicContact CE1-CG 3.66Å; F350-P352 HydrophobicContact CE2-CG 4.06Å; F350-P352 HydrophobicContact CZ-CB 4.46Å; F350-P352 HydrophobicContact CZ-CG 3.6Å; F350-P352 WeakPolarHBondContact O-CD 3.47Å; P352-K354 HydrophobicContact CB-CG 4.41Å
353V92.5Very high93.3Very high1 Ų132 Ų321%0.00616%0.163CC..  trans-106.798.5174.1-1800000108.8K88 F99 D215 L217 D358 L359 V362K88-V353 WeakPolarHBondContact CE-O 3.38Å; K88-V353 PolarHBondContact NZ-O 3.29Å; F99-V353 HydrophobicContact CE1-CB 3.8Å; F99-V353 HydrophobicContact CE1-CG1 4.4Å; F99-V353 HydrophobicContact CE1-CG2 3.92Å; F99-V353 HydrophobicContact CZ-CB 3.64Å; F99-V353 HydrophobicContact CZ-CG1 3.78Å; F99-V353 HydrophobicContact CZ-CG2 4.13Å; D215-V353 PolarHBondContact O-N 2.97Å; L217-V353 HydrophobicContact CD1-CG2 3.67Å; L217-V353 HydrophobicContact CG-CG2 4.45Å; V353-D358 HydrophobicContact CB-CB 4.3Å; V353-D358 HydrophobicContact CG1-CB 4.01Å; V353-D358 HydrophobicContact CG2-CB 4.5Å; V353-L359 HydrophobicContact CG1-CD1 3.28Å; V353-L359 HydrophobicContact CG1-CG 3.86Å; V353-V362 HydrophobicContact CG2-CG1 4.47Å; V353-V362 HydrophobicContact CG2-CG2 3.96Å
354K89.1Confident93.3Very high88 Ų8831.8 Ų31.838%0.38316%0.161SC..  trans-102.7-33.9-175.7-61.1-56.5-173.4-173.10112.9S81 D215 P352 D358S81-K354 PolarHBondContact OG-O 2.8Å; D215-K354 VanDerWaalsContact CG-NZ 3.29Å; D215-K354 IonicContact OD1-NZ 3.74Å; D215-K354 PolarHBondContact OD1-NZ 3.39Å; D215-K354 VanDerWaalsContact OD1-NZ 3.09Å; D215-K354 WeakPolarHBondContact OD2-CD 3.39Å; D215-K354 IonicContact OD2-NZ 2.64Å; D215-K354 PolarHBondContact OD2-NZ 3Å; P352-K354 HydrophobicContact CB-CG 4.41Å; K354-D358 WeakPolarHBondContact CA-OD2 3.41Å; K354-D358 PolarHBondContact N-OD2 3.23Å
355K91.8Very high93.2Very high112 Ų11233.9 Ų33.949%0.48717%0.173SC..SBendtrans-130.1170.2-179-66.7-172.4178.3-169.30111.3Q357 D358 L359K355-Q357 VanDerWaalsContact C-N 3.26Å; K355-Q357 HydrophobicContact CB-CG 3.8Å; K355-Q357 PolarHBondContact O-N 3.21Å; K355-D358 PolarHBondContact N-OD2 3.36Å; K355-D358 WeakPolarHBondContact O-CB 3.24Å; K355-D358 PolarHBondContact O-N 3.22Å; K355-L359 PolarHBondContact O-N 3.22Å
356T93.4Very high93.2Very high3 Ų333.8 Ų33.82%0.01817%0.172CC..Hα-helixtrans-64.1-27.517850.60000113.8M82 D358 L359 L360 F394 D395 V397 F400M82-T356 HydrophobicContact CG-CG2 4.43Å; T356-D358 PolarHBondContact O-N 3.14Å; T356-L359 WeakPolarHBondContact O-CB 3.26Å; T356-L359 PolarHBondContact O-N 3.44Å; T356-L360 PolarHBondContact O-N 3.33Å; T356-F394 VanDerWaalsContact CB-O 3.26Å; T356-F394 WeakPolarHBondContact CB-O 3.38Å; T356-F394 WeakPolarHBondContact CG2-O 3.47Å; T356-F394 PolarHBondContact OG1-O 2.93Å; T356-D395 WeakPolarHBondContact CG2-O 3.32Å; T356-V397 HydrophobicContact CG2-CG2 3.95Å; T356-F400 HydrophobicContact CG2-CB 3.99Å; T356-F400 HydrophobicContact CG2-CG 4.21Å
357Q94.1Very high93.2Very high46 Ų4631.9 Ų31.922%0.21516%0.158CC..Hα-helixtrans-59.9-35.3169.357.3175.575.500112.7K355 L360 L361 V388 L390K355-Q357 VanDerWaalsContact C-N 3.26Å; K355-Q357 HydrophobicContact CB-CG 3.8Å; K355-Q357 PolarHBondContact O-N 3.21Å; Q357-L360 PolarHBondContact O-N 3.25Å; Q357-L361 PolarHBondContact O-N 3.44Å; Q357-V388 HydrophobicContact CB-CB 4.4Å; Q357-V388 HydrophobicContact CB-CG1 3.88Å; Q357-V388 PolarHBondContact NE2-O 3.35Å; Q357-L390 HydrophobicContact CB-CB 4.5Å; Q357-L390 HydrophobicContact CB-CD1 4.23Å; Q357-L390 HydrophobicContact CB-CG 4.01Å
358D93Very high93.3Very high35 Ų3531.9 Ų31.919%0.18716%0.162CC..Hα-helixtrans-73.8-38.9177.2-49.5-41.1000109.3V353 K354 K355 T356 L360 L361 V362V353-D358 HydrophobicContact CB-CB 4.3Å; V353-D358 HydrophobicContact CG1-CB 4.01Å; V353-D358 HydrophobicContact CG2-CB 4.5Å; K354-D358 WeakPolarHBondContact CA-OD2 3.41Å; K354-D358 PolarHBondContact N-OD2 3.23Å; K355-D358 PolarHBondContact N-OD2 3.36Å; K355-D358 WeakPolarHBondContact O-CB 3.24Å; K355-D358 PolarHBondContact O-N 3.22Å; T356-D358 PolarHBondContact O-N 3.14Å; D358-L360 VanDerWaalsContact C-N 3.3Å; D358-L360 PolarHBondContact O-N 2.9Å; D358-L361 WeakPolarHBondContact O-CB 3.47Å; D358-L361 PolarHBondContact O-N 3.33Å; D358-V362 WeakPolarHBondContact O-CG2 3.42Å; D358-V362 PolarHBondContact O-N 3.08Å
359L93.4Very high93.4Very high0 Ų029.9 Ų29.90%014%0.144CC..Hα-helixtrans-56.2-44.6171.2-90.892000111.5M82 I91 V353 K355 T356 L361 V362 M363 V397 F400M82-L359 HydrophobicContact CE-CD1 4.32Å; M82-L359 HydrophobicContact SD-CD1 3.24Å; M82-L359 WeakPolarHBondContact SD-CD1 3.28Å; I91-L359 HydrophobicContact CG2-CD2 4.29Å; V353-L359 HydrophobicContact CG1-CD1 3.28Å; V353-L359 HydrophobicContact CG1-CG 3.86Å; K355-L359 PolarHBondContact O-N 3.22Å; T356-L359 WeakPolarHBondContact O-CB 3.26Å; T356-L359 PolarHBondContact O-N 3.44Å; L359-L361 VanDerWaalsContact C-N 3.26Å; L359-L361 PolarHBondContact O-N 3.49Å; L359-V362 WeakPolarHBondContact O-CG2 3.24Å; L359-V362 PolarHBondContact O-N 3.32Å; L359-M363 HydrophobicContact CB-SD 4.41Å; L359-M363 HydrophobicContact CD2-CE 3.8Å; L359-M363 HydrophobicContact CD2-SD 4.47Å; L359-M363 WeakPolarHBondContact O-CB 3.4Å; L359-M363 VanDerWaalsContact O-CG 3.24Å; L359-M363 WeakPolarHBondContact O-CG 3.45Å; L359-M363 PolarHBondContact O-N 3.09Å; L359-V397 HydrophobicContact CD2-CG2 4.46Å; L359-F400 HydrophobicContact CB-CE1 4.36Å
360L95.5Very high93.4Very high0 Ų033.6 Ų33.60%016%0.162CC..Hα-helixtrans-57.3-42.4179.5-17660.9000111.5T356 Q357 D358 S364 V388 L390 F400 F404 I407 P408 M410 L416T356-L360 PolarHBondContact O-N 3.33Å; Q357-L360 PolarHBondContact O-N 3.25Å; D358-L360 VanDerWaalsContact C-N 3.3Å; D358-L360 PolarHBondContact O-N 2.9Å; L360-S364 WeakPolarHBondContact O-CB 3.49Å; L360-S364 PolarHBondContact O-N 3.12Å; L360-S364 VanDerWaalsContact O-N 3.09Å; L360-V388 HydrophobicContact CD2-CG1 4.04Å; L360-L390 HydrophobicContact CD2-CD1 4.22Å; L360-L390 HydrophobicContact CD2-CD2 4.21Å; L360-F400 HydrophobicContact CB-CE2 3.9Å; L360-F400 HydrophobicContact CB-CZ 3.9Å; L360-F400 HydrophobicContact CD1-CE2 4.12Å; L360-F400 HydrophobicContact CD1-CZ 4.01Å; L360-F400 HydrophobicContact CG-CE2 4.44Å; L360-F404 HydrophobicContact CD1-CE1 4.28Å; L360-F404 HydrophobicContact CD1-CE2 4.42Å; L360-F404 HydrophobicContact CD1-CZ 4.2Å; L360-F404 HydrophobicContact CD2-CE2 4.48Å; L360-F404 HydrophobicContact CD2-CZ 3.96Å; L360-I407 HydrophobicContact CD1-CD1 4.39Å; L360-I407 HydrophobicContact CD1-CG2 4.2Å; L360-P408 HydrophobicContact CD1-CG 4.13Å; L360-M410 HydrophobicContact CD2-SD 4.13Å; L360-M410 HydrophobicContact CG-CE 4.28Å; L360-M410 HydrophobicContact CG-SD 4.03Å; L360-L416 HydrophobicContact CD2-CD2 3.83Å
361L94.1Very high93.3Very high20 Ų2035.2 Ų35.211%0.10517%0.172CC..Hα-helixtrans-59.6-53.6175.8-70.4168.1000111.4Q357 D358 L359 M363 S364 L366 Y367 I385 P386 V388 M410Q357-L361 PolarHBondContact O-N 3.44Å; D358-L361 WeakPolarHBondContact O-CB 3.47Å; D358-L361 PolarHBondContact O-N 3.33Å; L359-L361 VanDerWaalsContact C-N 3.26Å; L359-L361 PolarHBondContact O-N 3.49Å; L361-M363 PolarHBondContact O-N 3.41Å; L361-S364 PolarHBondContact O-N 2.83Å; L361-S364 PolarHBondContact O-OG 3.23Å; L361-L366 HydrophobicContact CD2-CD1 3.72Å; L361-Y367 WeakPolarHBondContact O-CD2 3.35Å; L361-I385 HydrophobicContact CD1-CG2 4.22Å; L361-I385 HydrophobicContact CD2-CG2 4.08Å; L361-P386 HydrophobicContact CD2-CG 3.76Å; L361-V388 HydrophobicContact CD1-CG2 4.47Å; L361-V388 HydrophobicContact CD2-CG2 3.61Å; L361-V388 HydrophobicContact CG-CB 4.47Å; L361-V388 HydrophobicContact CG-CG2 3.95Å; L361-M410 HydrophobicContact CD2-CE 3.71Å; L361-M410 HydrophobicContact CG-CE 4.43Å
362V93.6Very high93.1Very high1 Ų134.1 Ų34.11%0.00617%0.166CC..Hα-helixtrans-73.2-24.2-176.7-76.40000114.8V93 R94 L217 L351 V353 D358 L359 Y367 L374V93-V362 HydrophobicContact CG1-CB 4.38Å; V93-V362 HydrophobicContact CG1-CG2 3.82Å; R94-V362 PolarHBondContact NH1-O 3.21Å; L217-V362 HydrophobicContact CD1-CB 4.37Å; L217-V362 HydrophobicContact CD1-CG1 4.03Å; L217-V362 HydrophobicContact CD1-CG2 4.27Å; L351-V362 HydrophobicContact CD1-CG1 4.33Å; L351-V362 HydrophobicContact CD2-CG1 3.73Å; L351-V362 HydrophobicContact CG-CG1 4.06Å; V353-V362 HydrophobicContact CG2-CG1 4.47Å; V353-V362 HydrophobicContact CG2-CG2 3.96Å; D358-V362 WeakPolarHBondContact O-CG2 3.42Å; D358-V362 PolarHBondContact O-N 3.08Å; L359-V362 WeakPolarHBondContact O-CG2 3.24Å; L359-V362 PolarHBondContact O-N 3.32Å; V362-Y367 HydrophobicContact CG1-CD2 4.3Å; V362-Y367 HydrophobicContact CG1-CE2 4.33Å; V362-L374 HydrophobicContact CB-CD1 3.8Å; V362-L374 HydrophobicContact CG1-CD1 3.62Å
363M94.2Very high93.1Very high34 Ų3434.3 Ų34.317%0.16717%0.167CC..Hα-helixtrans-75.3-28.3173-77.8179.9166.300112.7V93 L359 L361 F400 L401 I407V93-M363 WeakPolarHBondContact O-CE 3.27Å; V93-M363 WeakPolarHBondContact O-CG 2.96Å; L359-M363 HydrophobicContact CB-SD 4.41Å; L359-M363 HydrophobicContact CD2-CE 3.8Å; L359-M363 HydrophobicContact CD2-SD 4.47Å; L359-M363 WeakPolarHBondContact O-CB 3.4Å; L359-M363 VanDerWaalsContact O-CG 3.24Å; L359-M363 WeakPolarHBondContact O-CG 3.45Å; L359-M363 PolarHBondContact O-N 3.09Å; L361-M363 PolarHBondContact O-N 3.41Å; M363-F400 HydrophobicContact SD-CE1 3.81Å; M363-F400 HydrophobicContact SD-CZ 4.31Å; M363-L401 HydrophobicContact CE-CD2 4.24Å; M363-L401 HydrophobicContact SD-CD2 4.42Å; M363-I407 HydrophobicContact CB-CD1 3.96Å; M363-I407 HydrophobicContact CB-CG1 4.02Å; M363-I407 HydrophobicContact CB-CG2 4.15Å; M363-I407 HydrophobicContact SD-CD1 3.94Å
364S94.3Very high93.2Very high1 Ų135 Ų351%0.00717%0.171CC..SBendtrans-71.8167.4-177.274.70000112.9L360 L361 L366 Y367L360-S364 WeakPolarHBondContact O-CB 3.49Å; L360-S364 PolarHBondContact O-N 3.12Å; L360-S364 VanDerWaalsContact O-N 3.09Å; L361-S364 PolarHBondContact O-N 2.83Å; L361-S364 PolarHBondContact O-OG 3.23Å; S364-L366 PolarHBondContact O-N 3.17Å; S364-L366 VanDerWaalsContact O-N 3.12Å; S364-L366 VanDerWaalsContact OG-CB 3.28Å; S364-L366 WeakPolarHBondContact OG-CB 3.33Å; S364-L366 WeakPolarHBondContact OG-CD1 3.39Å; S364-L366 WeakPolarHBondContact OG-CG 3.32Å; S364-L366 PolarHBondContact OG-N 3.25Å; S364-Y367 PolarHBondContact O-N 3.47Å
365N94Very high93.3Very high56 Ų5637.6 Ų37.630%0.29918%0.178SC..THydrogen-bonded Turntrans-670.3171.264.4-19000114.1Y367 D409 M410 L411N365-Y367 PolarHBondContact O-N 3.5Å; N365-D409 PolarHBondContact ND2-OD1 3.37Å; N365-D409 WeakPolarHBondContact OD1-CA 3.41Å; N365-D409 PolarHBondContact OD1-OD1 3.34Å; N365-M410 PolarHBondContact OD1-N 3.29Å; N365-L411 HydrophobicContact CB-CG 4.45Å; N365-L411 VanDerWaalsContact ND2-CD1 3.32Å; N365-L411 WeakPolarHBondContact ND2-CD1 3.29Å; N365-L411 WeakPolarHBondContact ND2-CG 3.45Å; N365-L411 WeakPolarHBondContact O-CD2 3.46Å
366L93.7Very high93.3Very high1 Ų135.6 Ų35.61%0.00517%0.172CC..THydrogen-bonded Turntrans-59.9-33.5167.8-76.5169.1000112.4L361 S364 L376 S377 P386 M410L361-L366 HydrophobicContact CD2-CD1 3.72Å; S364-L366 PolarHBondContact O-N 3.17Å; S364-L366 VanDerWaalsContact O-N 3.12Å; S364-L366 VanDerWaalsContact OG-CB 3.28Å; S364-L366 WeakPolarHBondContact OG-CB 3.33Å; S364-L366 WeakPolarHBondContact OG-CD1 3.39Å; S364-L366 WeakPolarHBondContact OG-CG 3.32Å; S364-L366 PolarHBondContact OG-N 3.25Å; L366-L376 WeakPolarHBondContact O-CD1 3.36Å; L366-S377 PolarHBondContact O-N 3.16Å; L366-P386 HydrophobicContact CD1-CG 3.42Å; L366-P386 VanDerWaalsContact CD1-CG 3.42Å; L366-P386 HydrophobicContact CD2-CG 4.28Å; L366-P386 HydrophobicContact CG-CG 4.5Å; L366-M410 HydrophobicContact CD1-CB 3.88Å; L366-M410 HydrophobicContact CD1-CE 3.5Å; L366-M410 VanDerWaalsContact CD2-O 3.26Å; L366-M410 WeakPolarHBondContact CD2-O 3.24Å; L366-M410 HydrophobicContact CG-CB 3.98Å
367Y93.8Very high93.2Very high13 Ų1335.7 Ų35.75%0.05117%0.173CC..EExtended strand (participates in β ladder)trans-110.5150.3177.1-68.1-89.7000109.9R94 L351 L361 V362 S364 N365 L374 R375 L376 I385R94-Y367 PolarHBondContact NH1-O 3.31Å; R94-Y367 PolarHBondContact NH2-O 3.05Å; L351-Y367 HydrophobicContact CD1-CE1 4.43Å; L351-Y367 VanDerWaalsContact CD1-OH 3.32Å; L351-Y367 WeakPolarHBondContact CD1-OH 3.25Å; L351-Y367 HydrophobicContact CD2-CD1 4.24Å; L351-Y367 HydrophobicContact CD2-CE1 3.67Å; L361-Y367 WeakPolarHBondContact O-CD2 3.35Å; V362-Y367 HydrophobicContact CG1-CD2 4.3Å; V362-Y367 HydrophobicContact CG1-CE2 4.33Å; S364-Y367 PolarHBondContact O-N 3.47Å; N365-Y367 PolarHBondContact O-N 3.5Å; Y367-L374 HydrophobicContact CD1-CB 4.11Å; Y367-R375 CarbonylContact C-O 3.56Å; Y367-R375 WeakPolarHBondContact CA-O 3.35Å; Y367-R375 WeakPolarHBondContact CD1-O 3.29Å; Y367-L376 HydrophobicContact CE1-CD1 4.37Å; Y367-I385 VanDerWaalsContact OH-CD1 3.3Å; Y367-I385 WeakPolarHBondContact OH-CD1 3.4Å
368E93.3Very high93Very high82 Ų8240.9 Ų40.938%0.38320%0.202SC..EExtended strand (participates in β ladder)trans-111141.4167.1-69.7174-160.300108.6L374 R375 S377E368-L374 WeakPolarHBondContact O-CA 3.4Å; E368-R375 PolarHBondContact N-O 3.06Å; E368-R375 PolarHBondContact O-N 3.31Å; E368-S377 VanDerWaalsContact OE1-CB 3.3Å; E368-S377 WeakPolarHBondContact OE1-CB 3.42Å; E368-S377 PolarHBondContact OE1-OG 3.26Å
369L94Very high92.9Very high45 Ų4544.3 Ų44.324%0.23622%0.22CC..EExtended strand (participates in β ladder)trans-102.8116.8179.7176.765.6000109.1R94 L97 L102 L374R94-L369 HydrophobicContact CG-CD2 4.33Å; L97-L369 HydrophobicContact CD1-CD2 3.83Å; L102-L369 HydrophobicContact CD2-CD1 3.56Å; L102-L369 HydrophobicContact CD2-CD2 4.12Å; L369-L374 HydrophobicContact CB-CD2 4.05Å; L369-L374 HydrophobicContact CD1-CD2 3.94Å; L369-L374 HydrophobicContact CD1-CG 4.45Å
370E92.9Very high92.7Very high85 Ų8545.3 Ų45.340%0.39722%0.224SC..EExtended strand (participates in β ladder)trans-131.3119.7177.3-163.5-161.8166.200109.3G372 T373 R375E370-G372 VanDerWaalsContact C-N 3.28Å; E370-G372 PolarHBondContact O-N 3Å; E370-T373 PolarHBondContact N-O 3.43Å; E370-T373 WeakPolarHBondContact O-CA 3.32Å; E370-T373 WeakPolarHBondContact O-CB 3.15Å; E370-T373 PolarHBondContact O-N 3.15Å; E370-R375 IonicContact OE2-CZ 3.63Å; E370-R375 IonicContact OE2-NE 3.07Å; E370-R375 IonicContact OE2-NH1 3.32Å; E370-R375 PolarHBondContact OE2-NH1 2.84Å; E370-R375 IonicContact OE2-NH2 3.83Å
371N91.8Very high92Very high64 Ų6451.8 Ų51.834%0.34226%0.258SS..THydrogen-bonded Turntrans51.142.9177.5-53.6-49.8000113.7Q106 Y109 T373Q106-N371 WeakPolarHBondContact CA-O 3.45Å; Y109-N371 HydrophobicContact CD1-CB 4.13Å; Y109-N371 HydrophobicContact CD2-CB 3.7Å; Y109-N371 HydrophobicContact CE2-CB 4.21Å; Y109-N371 VanDerWaalsContact CE2-CG 3.48Å; Y109-N371 WeakPolarHBondContact CE2-ND2 3.46Å; Y109-N371 HydrophobicContact CG-CB 3.65Å; N371-T373 PolarHBondContact O-N 2.98Å
372G90.3Very high91.1Very high1 Ų157.5 Ų57.51%0.0128%0.282CS..THydrogen-bonded Turntrans76.1-6.2-176.200000115.3Q106 E370Q106-G372 PolarHBondContact NE2-O 3.13Å; E370-G372 VanDerWaalsContact C-N 3.28Å; E370-G372 PolarHBondContact O-N 3Å
373T93.3Very high89.9Confident33 Ų3362.7 Ų62.720%0.20232%0.319CS..EExtended strand (participates in β ladder)trans-96.4132.5179.1-57.90000110.6T220 E370 N371 R375T220-T373 HydrophobicContact CG2-CG2 3.92Å; E370-T373 PolarHBondContact N-O 3.43Å; E370-T373 WeakPolarHBondContact O-CA 3.32Å; E370-T373 WeakPolarHBondContact O-CB 3.15Å; E370-T373 PolarHBondContact O-N 3.15Å; N371-T373 PolarHBondContact O-N 2.98Å; T373-R375 HydrophobicContact CG2-CG 4.32Å
374L92.9Very high89.2Confident16 Ų1665.9 Ų65.98%0.08434%0.342CS..EExtended strand (participates in β ladder)trans-89.5124.8170.7-68.2175000109.9L217 L351 V362 Y367 E368 L369L217-L374 HydrophobicContact CB-CD1 4.16Å; L217-L374 HydrophobicContact CD1-CD1 3.64Å; L217-L374 HydrophobicContact CG-CD1 4.39Å; L351-L374 HydrophobicContact CD2-CB 4.46Å; L351-L374 HydrophobicContact CD2-CD1 4.39Å; V362-L374 HydrophobicContact CB-CD1 3.8Å; V362-L374 HydrophobicContact CG1-CD1 3.62Å; Y367-L374 HydrophobicContact CD1-CB 4.11Å; E368-L374 WeakPolarHBondContact O-CA 3.4Å; L369-L374 HydrophobicContact CB-CD2 4.05Å; L369-L374 HydrophobicContact CD1-CD2 3.94Å; L369-L374 HydrophobicContact CD1-CG 4.45Å
375R91.6Very high88.9Confident141 Ų14168.8 Ų68.853%0.53236%0.357SS..EExtended strand (participates in β ladder)trans-115.7148.1172.2-66.1-175.5179.81599.8109.4Y367 E368 E370 T373 S377Y367-R375 CarbonylContact C-O 3.56Å; Y367-R375 WeakPolarHBondContact CA-O 3.35Å; Y367-R375 WeakPolarHBondContact CD1-O 3.29Å; E368-R375 PolarHBondContact N-O 3.06Å; E368-R375 PolarHBondContact O-N 3.31Å; E370-R375 IonicContact OE2-CZ 3.63Å; E370-R375 IonicContact OE2-NE 3.07Å; E370-R375 IonicContact OE2-NH1 3.32Å; E370-R375 PolarHBondContact OE2-NH1 2.84Å; E370-R375 IonicContact OE2-NH2 3.83Å; T373-R375 HydrophobicContact CG2-CG 4.32Å; R375-S377 PolarHBondContact O-N 3.41Å
376L91.2Very high88.7Confident71 Ų7166.4 Ų66.437%0.37235%0.345SS..EExtended strand (participates in β ladder)trans-64.1134.9170.5-167.773000107.9L366 Y367 R380L366-L376 WeakPolarHBondContact O-CD1 3.36Å; Y367-L376 HydrophobicContact CE1-CD1 4.37Å; L376-R380 HydrophobicContact CD1-CG 4.44Å; L376-R380 HydrophobicContact CD2-CB 4.34Å; L376-R380 HydrophobicContact CD2-CG 4.13Å; L376-R380 HydrophobicContact CG-CB 4.22Å; L376-R380 HydrophobicContact CG-CG 4.34Å
377S92.2Very high88.6Confident5 Ų570.6 Ų70.64%0.03537%0.366CS..  trans-61.6137.6179.7-179.60000110.5L366 E368 R375 N379 R380L366-S377 PolarHBondContact O-N 3.16Å; E368-S377 VanDerWaalsContact OE1-CB 3.3Å; E368-S377 WeakPolarHBondContact OE1-CB 3.42Å; E368-S377 PolarHBondContact OE1-OG 3.26Å; R375-S377 PolarHBondContact O-N 3.41Å; S377-N379 PolarHBondContact O-N 2.97Å; S377-N379 VanDerWaalsContact O-N 3.14Å; S377-N379 WeakPolarHBondContact OG-CB 3.35Å; S377-N379 PolarHBondContact OG-N 2.73Å; S377-N379 PolarHBondContact OG-ND2 3.12Å; S377-R380 VanDerWaalsContact O-CB 3.29Å; S377-R380 WeakPolarHBondContact O-CB 3.24Å; S377-R380 PolarHBondContact O-N 2.91Å
378D89.8Confident88.6Confident154 Ų15470.1 Ų70.182%0.82437%0.365SS*.THydrogen-bonded Turntrans-63-18.6174.2-66.5-29.6000111.9R380D378-R380 PolarHBondContact O-N 3.34Å
379N90.4Very high88.7Confident107 Ų10771.5 Ų71.557%0.57237%0.37SS*.THydrogen-bonded Turntrans-75-9.2174.6-60.2-54.9000113.3S377 L381 L411S377-N379 PolarHBondContact O-N 2.97Å; S377-N379 VanDerWaalsContact O-N 3.14Å; S377-N379 WeakPolarHBondContact OG-CB 3.35Å; S377-N379 PolarHBondContact OG-N 2.73Å; S377-N379 PolarHBondContact OG-ND2 3.12Å; N379-L381 PolarHBondContact O-N 2.92Å; N379-L381 VanDerWaalsContact O-N 3.15Å; N379-L411 HydrophobicContact CB-CD1 4.1Å; N379-L411 HydrophobicContact CB-CD2 4.1Å
380R89.2Confident88.8Confident21 Ų2170.3 Ų70.38%0.07936%0.363CS..  trans-7899.9177.6-179.361.1-179.3-174.82109.7L376 S377 D378 F382 P384 L411 C413 D414L376-R380 HydrophobicContact CD1-CG 4.44Å; L376-R380 HydrophobicContact CD2-CB 4.34Å; L376-R380 HydrophobicContact CD2-CG 4.13Å; L376-R380 HydrophobicContact CG-CB 4.22Å; L376-R380 HydrophobicContact CG-CG 4.34Å; S377-R380 VanDerWaalsContact O-CB 3.29Å; S377-R380 WeakPolarHBondContact O-CB 3.24Å; S377-R380 PolarHBondContact O-N 2.91Å; D378-R380 PolarHBondContact O-N 3.34Å; R380-F382 VanDerWaalsContact C-N 3.28Å; R380-F382 WeakPolarHBondContact CG-O 3.22Å; R380-F382 PolarHBondContact NE-O 3.29Å; R380-F382 PolarHBondContact O-N 3.12Å; R380-P384 PolarHBondContact NH2-O 3.07Å; R380-P384 VanDerWaalsContact NH2-O 3.08Å; R380-L411 HydrophobicContact CB-CD2 4.49Å; R380-L411 WeakPolarHBondContact CD-O 3.35Å; R380-L411 PolarHBondContact NH1-O 3.21Å; R380-C413 PolarHBondContact NH1-O 3.16Å; R380-C413 PolarHBondContact NH2-O 2.75Å; R380-D414 IonicContact NH2-OD1 2.74Å
381L81.1Confident88.9Confident136 Ų13667 Ų6771%0.71235%0.353SS*.  trans-66.1-24.8-177.5-63.5173.6000114.4N379N379-L381 PolarHBondContact O-N 2.92Å; N379-L381 VanDerWaalsContact O-N 3.15Å
382F74.5Confident88.9Confident140 Ų14068.4 Ų68.461%0.61437%0.367SS*.SBendtrans-131.5133.5-172.2-53.3-72.5000112.7R380R380-F382 VanDerWaalsContact C-N 3.28Å; R380-F382 WeakPolarHBondContact CG-O 3.22Å; R380-F382 PolarHBondContact NE-O 3.29Å; R380-F382 PolarHBondContact O-N 3.12Å
383S69.4Low89.1Confident110 Ų11070.2 Ų70.277%0.76938%0.379SS*.  trans-98.7135.9162-1750000107.4
384P80Confident89.2Confident101 Ų10168.7 Ų68.766%0.65637%0.37SS*.SBendcis-93.5175.226.835.7-36.9000116R380R380-P384 PolarHBondContact NH2-O 3.07Å; R380-P384 VanDerWaalsContact NH2-O 3.08Å
385I86.6Confident89.2Confident62 Ų6271.4 Ų71.432%0.31838%0.384SS..  trans-57.6138.4166-62.6162.7000109.1L361 Y367L361-I385 HydrophobicContact CD1-CG2 4.22Å; L361-I385 HydrophobicContact CD2-CG2 4.08Å; Y367-I385 VanDerWaalsContact OH-CD1 3.3Å; Y367-I385 WeakPolarHBondContact OH-CD1 3.4Å
386P90.7Very high89.3Confident7 Ų772.4 Ų72.45%0.04539%0.388CS..  trans-61.6146.6-178.314.5-23.6000113.8L361 L366 V388 C413 D414L361-P386 HydrophobicContact CD2-CG 3.76Å; L366-P386 HydrophobicContact CD1-CG 3.42Å; L366-P386 VanDerWaalsContact CD1-CG 3.42Å; L366-P386 HydrophobicContact CD2-CG 4.28Å; L366-P386 HydrophobicContact CG-CG 4.5Å; P386-V388 PolarHBondContact O-N 2.98Å; P386-C413 HydrophobicContact CB-CB 4.43Å; P386-C413 WeakPolarHBondContact CB-O 3.5Å; P386-D414 VanDerWaalsContact CA-O 3.3Å; P386-D414 WeakPolarHBondContact CA-O 3.2Å
387L91.5Very high89.3Confident88 Ų8869.7 Ų69.746%0.46138%0.375SS..EExtended strand (participates in β ladder)trans-83.8107.8172.7179.961.6000109.9D414 H415 L416L387-D414 PolarHBondContact N-O 3.06Å; L387-H415 WeakPolarHBondContact O-CA 3.36Å; L387-L416 PolarHBondContact O-N 2.76Å
388V94.7Very high89.3Confident3 Ų373.5 Ų73.52%0.01840%0.401CS..EExtended strand (participates in β ladder)trans-105.5130.5177.4179.50000110.4Q357 L360 L361 P386 L390 M410 L416Q357-V388 HydrophobicContact CB-CB 4.4Å; Q357-V388 HydrophobicContact CB-CG1 3.88Å; Q357-V388 PolarHBondContact NE2-O 3.35Å; L360-V388 HydrophobicContact CD2-CG1 4.04Å; L361-V388 HydrophobicContact CD1-CG2 4.47Å; L361-V388 HydrophobicContact CD2-CG2 3.61Å; L361-V388 HydrophobicContact CG-CB 4.47Å; L361-V388 HydrophobicContact CG-CG2 3.95Å; P386-V388 PolarHBondContact O-N 2.98Å; V388-L390 HydrophobicContact CG1-CD2 4.07Å; V388-L390 HydrophobicContact CG1-CG 4.06Å; V388-M410 HydrophobicContact CG2-CE 4.24Å; V388-L416 CarbonylContact C-O 3.43Å; V388-L416 WeakPolarHBondContact CA-O 3.33Å; V388-L416 HydrophobicContact CG1-CD2 4.17Å; V388-L416 HydrophobicContact CG2-CB 4.23Å
389K95.1Very high89.5Confident112 Ų11268.2 Ų68.249%0.48738%0.377SS..EExtended strand (participates in β ladder)trans-130.7116171.8-68.8-176.6178.7179.60109.4L416 T417 V418K389-L416 PolarHBondContact N-O 3.03Å; K389-T417 CarbonylContact O-C 3.5Å; K389-T417 WeakPolarHBondContact O-CA 3.38Å; K389-V418 PolarHBondContact O-N 3.4Å
390L95.9Very high89.7Confident19 Ų1963.1 Ų63.110%0.09935%0.349CS..EExtended strand (participates in β ladder)trans-107.4136.5174.8-54.4-179.7000109.4Q357 L360 V388 F394 F400 V418Q357-L390 HydrophobicContact CB-CB 4.5Å; Q357-L390 HydrophobicContact CB-CD1 4.23Å; Q357-L390 HydrophobicContact CB-CG 4.01Å; L360-L390 HydrophobicContact CD2-CD1 4.22Å; L360-L390 HydrophobicContact CD2-CD2 4.21Å; V388-L390 HydrophobicContact CG1-CD2 4.07Å; V388-L390 HydrophobicContact CG1-CG 4.06Å; L390-F394 HydrophobicContact CB-CB 3.78Å; L390-F394 HydrophobicContact CB-CD2 4.21Å; L390-F394 HydrophobicContact CB-CG 4.06Å; L390-F394 HydrophobicContact CD1-CB 4.12Å; L390-F394 HydrophobicContact CD1-CD1 4.39Å; L390-F394 HydrophobicContact CD1-CG 4.33Å; L390-F400 HydrophobicContact CD1-CD2 3.94Å; L390-F400 HydrophobicContact CD1-CE2 3.88Å; L390-V418 CarbonylContact C-O 3.45Å; L390-V418 HydrophobicContact CD2-CB 3.98Å; L390-V418 HydrophobicContact CD2-CG2 3.9Å
391G94Very high89.9Confident17 Ų1766.2 Ų66.218%0.17537%0.367CS..  trans-71.4174.8178.100000113C393 F394 V418G391-C393 PolarHBondContact O-N 3.49Å; G391-F394 WeakPolarHBondContact O-CB 3.37Å; G391-F394 PolarHBondContact O-N 2.75Å; G391-V418 PolarHBondContact N-O 2.91Å
392S93.6Very high90.5Very high93 Ų9366.8 Ų66.865%0.6536%0.363SS*.G310 helixtrans-57.4-27.1-173.454.10000114.8F394 D395S392-F394 PolarHBondContact O-N 2.71Å; S392-D395 WeakPolarHBondContact CA-OD2 3.41Å; S392-D395 PolarHBondContact O-N 3.44Å; S392-D395 VanDerWaalsContact O-N 3.12Å
393C93.6Very high91.5Very high39 Ų3961.5 Ų61.526%0.26434%0.339SS..G310 helixtrans-60.1-16174.4-63.90000113.9G391 S399 R403G391-C393 PolarHBondContact O-N 3.49Å; C393-S399 WeakPolarHBondContact O-CB 3.4Å; C393-R403 PolarHBondContact O-NE 3.02Å; C393-R403 VanDerWaalsContact O-NE 3.12Å
394F95.4Very high92.8Very high0 Ų056.8 Ų56.80%031%0.305CS..G310 helixtrans-108.91.2179.9-61.8-94.1000113.3T356 L390 G391 S392 R396 F400 R403 F404 V418 V422 F424T356-F394 VanDerWaalsContact CB-O 3.26Å; T356-F394 WeakPolarHBondContact CB-O 3.38Å; T356-F394 WeakPolarHBondContact CG2-O 3.47Å; T356-F394 PolarHBondContact OG1-O 2.93Å; L390-F394 HydrophobicContact CB-CB 3.78Å; L390-F394 HydrophobicContact CB-CD2 4.21Å; L390-F394 HydrophobicContact CB-CG 4.06Å; L390-F394 HydrophobicContact CD1-CB 4.12Å; L390-F394 HydrophobicContact CD1-CD1 4.39Å; L390-F394 HydrophobicContact CD1-CG 4.33Å; G391-F394 WeakPolarHBondContact O-CB 3.37Å; G391-F394 PolarHBondContact O-N 2.75Å; S392-F394 PolarHBondContact O-N 2.71Å; F394-R396 VanDerWaalsContact C-N 3.28Å; F394-R396 PolarHBondContact O-N 3.14Å; F394-F400 HydrophobicContact CD1-CD2 4.12Å; F394-R403 HydrophobicContact CD1-CB 4.27Å; F394-R403 HydrophobicContact CE1-CB 3.65Å; F394-R403 HydrophobicContact CE1-CG 4.22Å; F394-R403 HydrophobicContact CZ-CB 4.35Å; F394-F404 HydrophobicContact CD1-CD2 4.43Å; F394-F404 AromaticContact CD1-CE2 3.8Å; F394-F404 HydrophobicContact CD1-CE2 3.8Å; F394-F404 HydrophobicContact CE1-CD2 4.17Å; F394-F404 AromaticContact CE1-CE2 3.54Å; F394-F404 HydrophobicContact CE1-CE2 3.54Å; F394-F404 HydrophobicContact CE1-CZ 4.17Å; F394-V418 HydrophobicContact CE2-CB 4.46Å; F394-V418 HydrophobicContact CE2-CG1 3.68Å; F394-V418 HydrophobicContact CZ-CG1 3.89Å; F394-V422 HydrophobicContact CE2-CB 4.45Å; F394-V422 HydrophobicContact CZ-CB 4.16Å; F394-V422 WeakPolarHBondContact CZ-O 3.12Å; F394-F424 HydrophobicContact CE1-CE2 4.37Å; F394-F424 HydrophobicContact CZ-CE2 4.13Å
395D92.3Very high93.4Very high73 Ų7355.5 Ų55.539%0.3930%0.299SS..SBendtrans-61.6-35.7-174.6-76.9-24.5000112.8M82 T356 S392M82-D395 WeakPolarHBondContact CA-O 3.11Å; T356-D395 WeakPolarHBondContact CG2-O 3.32Å; S392-D395 WeakPolarHBondContact CA-OD2 3.41Å; S392-D395 PolarHBondContact O-N 3.44Å; S392-D395 VanDerWaalsContact O-N 3.12Å
396R93.2Very high93.7Very high162 Ų16253.7 Ų53.761%0.61130%0.296SS*.SBendtrans-87.1131.7177.9-62.4-177.5174.9169-0.9110.4M82 F394 S398 S399 F400M82-R396 WeakPolarHBondContact O-CA 3.49Å; F394-R396 VanDerWaalsContact C-N 3.28Å; F394-R396 PolarHBondContact O-N 3.14Å; R396-S398 VanDerWaalsContact C-N 3.27Å; R396-S398 PolarHBondContact O-N 3.12Å; R396-S399 WeakPolarHBondContact O-CB 3.44Å; R396-S399 PolarHBondContact O-N 3.05Å; R396-F400 PolarHBondContact O-N 3.12Å
397V91.3Very high94Very high15 Ų1556.3 Ų56.39%0.09131%0.308CS..Hα-helixtrans-56.2-39.8178.7168.10000112.1M82 I91 T356 L359 S399 F400 L401M82-V397 HydrophobicContact CB-CG2 3.76Å; M82-V397 HydrophobicContact CG-CG2 4.39Å; M82-V397 PolarHBondContact O-N 3.06Å; M82-V397 HydrophobicContact SD-CG2 4.29Å; I91-V397 HydrophobicContact CG2-CG2 4.48Å; T356-V397 HydrophobicContact CG2-CG2 3.95Å; L359-V397 HydrophobicContact CD2-CG2 4.46Å; V397-S399 VanDerWaalsContact C-N 3.35Å; V397-S399 PolarHBondContact O-N 3.37Å; V397-F400 PolarHBondContact O-N 2.88Å; V397-L401 HydrophobicContact CG1-CD1 3.79Å; V397-L401 HydrophobicContact CG1-CG 4.16Å; V397-L401 WeakPolarHBondContact O-CB 3.5Å; V397-L401 VanDerWaalsContact O-CG 3.32Å; V397-L401 WeakPolarHBondContact O-CG 3.19Å; V397-L401 PolarHBondContact O-N 2.85Å
398S92.5Very high94.2Very high85 Ų8552.2 Ų52.259%0.59429%0.287SS*.Hα-helixtrans-62.8-40176.755.20000112.9R396 K402R396-S398 VanDerWaalsContact C-N 3.27Å; R396-S398 PolarHBondContact O-N 3.12Å; S398-K402 WeakPolarHBondContact O-CB 3.33Å; S398-K402 PolarHBondContact O-N 2.97Å; S398-K402 VanDerWaalsContact O-N 3.15Å
399S93.8Very high94.2Very high43 Ų4353.9 Ų53.930%0.30130%0.296SS..Hα-helixtrans-70.8-42.6175.7-59.60000111.4C393 R396 V397 K402 R403C393-S399 WeakPolarHBondContact O-CB 3.4Å; R396-S399 WeakPolarHBondContact O-CB 3.44Å; R396-S399 PolarHBondContact O-N 3.05Å; V397-S399 VanDerWaalsContact C-N 3.35Å; V397-S399 PolarHBondContact O-N 3.37Å; S399-K402 PolarHBondContact O-N 3.27Å; S399-R403 WeakPolarHBondContact O-CB 3.38Å; S399-R403 WeakPolarHBondContact O-CD 3.43Å; S399-R403 WeakPolarHBondContact O-CG 3.47Å; S399-R403 PolarHBondContact O-N 2.88Å; S399-R403 VanDerWaalsContact O-N 3.09Å
400F94.7Very high94.2Very high0 Ų048.5 Ų48.50%027%0.273CS..Hα-helixtrans-57-53.9175.1166.4-99.6000111.7T356 L359 L360 M363 L390 F394 R396 V397 K402 R403 F404T356-F400 HydrophobicContact CG2-CB 3.99Å; T356-F400 HydrophobicContact CG2-CG 4.21Å; L359-F400 HydrophobicContact CB-CE1 4.36Å; L360-F400 HydrophobicContact CB-CE2 3.9Å; L360-F400 HydrophobicContact CB-CZ 3.9Å; L360-F400 HydrophobicContact CD1-CE2 4.12Å; L360-F400 HydrophobicContact CD1-CZ 4.01Å; L360-F400 HydrophobicContact CG-CE2 4.44Å; M363-F400 HydrophobicContact SD-CE1 3.81Å; M363-F400 HydrophobicContact SD-CZ 4.31Å; L390-F400 HydrophobicContact CD1-CD2 3.94Å; L390-F400 HydrophobicContact CD1-CE2 3.88Å; F394-F400 HydrophobicContact CD1-CD2 4.12Å; R396-F400 PolarHBondContact O-N 3.12Å; V397-F400 PolarHBondContact O-N 2.88Å; F400-K402 VanDerWaalsContact C-N 3.32Å; F400-K402 PolarHBondContact O-N 2.94Å; F400-R403 PolarHBondContact O-N 3.28Å; F400-R403 VanDerWaalsContact O-N 3.17Å; F400-F404 AromaticContact CD2-CD2 3.8Å; F400-F404 HydrophobicContact CD2-CD2 3.8Å; F400-F404 AromaticContact CD2-CE2 3.76Å; F400-F404 HydrophobicContact CD2-CE2 3.76Å; F400-F404 AromaticContact CE2-CD2 3.58Å; F400-F404 HydrophobicContact CE2-CD2 3.58Å; F400-F404 AromaticContact CE2-CE2 3.49Å; F400-F404 HydrophobicContact CE2-CE2 3.49Å; F400-F404 VanDerWaalsContact CE2-CE2 3.49Å; F400-F404 HydrophobicContact CZ-CD2 4.18Å; F400-F404 HydrophobicContact CZ-CE2 4.42Å; F400-F404 WeakPolarHBondContact O-CD2 3.49Å; F400-F404 PolarHBondContact O-N 3.08Å
401L93.1Very high94.1Very high85 Ų8549 Ų4945%0.44528%0.275SS..Hα-helixtrans-63-37.6-179.9-68.6175.4000112.3M363 V397 R403 F404M363-L401 HydrophobicContact CE-CD2 4.24Å; M363-L401 HydrophobicContact SD-CD2 4.42Å; V397-L401 HydrophobicContact CG1-CD1 3.79Å; V397-L401 HydrophobicContact CG1-CG 4.16Å; V397-L401 WeakPolarHBondContact O-CB 3.5Å; V397-L401 VanDerWaalsContact O-CG 3.32Å; V397-L401 WeakPolarHBondContact O-CG 3.19Å; V397-L401 PolarHBondContact O-N 2.85Å; L401-R403 VanDerWaalsContact C-N 3.29Å; L401-R403 PolarHBondContact O-N 2.88Å; L401-F404 PolarHBondContact O-N 2.78Å; L401-F404 VanDerWaalsContact O-O 3.14Å
402K94.6Very high94.1Very high148 Ų14852.4 Ų52.464%0.64329%0.286SS*.Hα-helixtrans-65-34.6177.4-166.5-176.4-175.6-172.90112.4S398 S399 F400 W423S398-K402 WeakPolarHBondContact O-CB 3.33Å; S398-K402 PolarHBondContact O-N 2.97Å; S398-K402 VanDerWaalsContact O-N 3.15Å; S399-K402 PolarHBondContact O-N 3.27Å; F400-K402 VanDerWaalsContact C-N 3.32Å; F400-K402 PolarHBondContact O-N 2.94Å; K402-W423 HydrophobicContact CD-CH2 3.77Å; K402-W423 HydrophobicContact CD-CZ3 4.32Å; K402-W423 HydrophobicContact CG-CH2 3.81Å; K402-W423 HydrophobicContact CG-CZ3 3.85Å; K402-W423 VanDerWaalsContact O-CZ3 3.26Å; K402-W423 WeakPolarHBondContact O-CZ3 3.35Å
403R95.9Very high94.1Very high29 Ų2948 Ų4811%0.10926%0.255CS..Hα-helixtrans-80-20.8-176.6-72.5170.5176.4-69.2-7.1113.4C393 F394 S399 F400 L401 D421 V422 W423 F424C393-R403 PolarHBondContact O-NE 3.02Å; C393-R403 VanDerWaalsContact O-NE 3.12Å; F394-R403 HydrophobicContact CD1-CB 4.27Å; F394-R403 HydrophobicContact CE1-CB 3.65Å; F394-R403 HydrophobicContact CE1-CG 4.22Å; F394-R403 HydrophobicContact CZ-CB 4.35Å; S399-R403 WeakPolarHBondContact O-CB 3.38Å; S399-R403 WeakPolarHBondContact O-CD 3.43Å; S399-R403 WeakPolarHBondContact O-CG 3.47Å; S399-R403 PolarHBondContact O-N 2.88Å; S399-R403 VanDerWaalsContact O-N 3.09Å; F400-R403 PolarHBondContact O-N 3.28Å; F400-R403 VanDerWaalsContact O-N 3.17Å; L401-R403 VanDerWaalsContact C-N 3.29Å; L401-R403 PolarHBondContact O-N 2.88Å; R403-D421 IonicContact CZ-OD1 3.42Å; R403-D421 IonicContact NH1-OD1 2.75Å; R403-D421 PolarHBondContact NH1-OD1 3.24Å; R403-D421 IonicContact NH2-OD1 3.48Å; R403-D421 PolarHBondContact NH2-OD1 2.59Å; R403-V422 PolarHBondContact NH1-O 2.85Å; R403-W423 HydrophobicContact CG-CD2 4.21Å; R403-W423 HydrophobicContact CG-CE3 4.47Å; R403-W423 HydrophobicContact CG-CZ2 4.48Å; R403-W423 VanDerWaalsContact NH1-NE1 3.18Å; R403-F424 PolarHBondContact O-N 2.78Å
404F95.6Very high94Very high11 Ų1150 Ų505%0.04826%0.263CS..BIsolated β-bridgetrans-106.598.5174.6-74.5-80.8000110L360 F394 F400 L401 G406 P408 F424L360-F404 HydrophobicContact CD1-CE1 4.28Å; L360-F404 HydrophobicContact CD1-CE2 4.42Å; L360-F404 HydrophobicContact CD1-CZ 4.2Å; L360-F404 HydrophobicContact CD2-CE2 4.48Å; L360-F404 HydrophobicContact CD2-CZ 3.96Å; F394-F404 HydrophobicContact CD1-CD2 4.43Å; F394-F404 AromaticContact CD1-CE2 3.8Å; F394-F404 HydrophobicContact CD1-CE2 3.8Å; F394-F404 HydrophobicContact CE1-CD2 4.17Å; F394-F404 AromaticContact CE1-CE2 3.54Å; F394-F404 HydrophobicContact CE1-CE2 3.54Å; F394-F404 HydrophobicContact CE1-CZ 4.17Å; F400-F404 AromaticContact CD2-CD2 3.8Å; F400-F404 HydrophobicContact CD2-CD2 3.8Å; F400-F404 AromaticContact CD2-CE2 3.76Å; F400-F404 HydrophobicContact CD2-CE2 3.76Å; F400-F404 AromaticContact CE2-CD2 3.58Å; F400-F404 HydrophobicContact CE2-CD2 3.58Å; F400-F404 AromaticContact CE2-CE2 3.49Å; F400-F404 HydrophobicContact CE2-CE2 3.49Å; F400-F404 VanDerWaalsContact CE2-CE2 3.49Å; F400-F404 HydrophobicContact CZ-CD2 4.18Å; F400-F404 HydrophobicContact CZ-CE2 4.42Å; F400-F404 WeakPolarHBondContact O-CD2 3.49Å; F400-F404 PolarHBondContact O-N 3.08Å; L401-F404 PolarHBondContact O-N 2.78Å; L401-F404 VanDerWaalsContact O-O 3.14Å; F404-G406 PolarHBondContact O-N 3.44Å; F404-P408 HydrophobicContact CD1-CG 4.46Å; F404-P408 HydrophobicContact CE1-CG 4.13Å; F404-F424 HydrophobicContact CD1-CB 3.58Å; F404-F424 HydrophobicContact CD1-CD1 4.39Å; F404-F424 AromaticContact CD1-CD2 3.65Å; F404-F424 HydrophobicContact CD1-CD2 3.65Å; F404-F424 HydrophobicContact CD1-CE2 4.41Å; F404-F424 AromaticContact CD1-CG 3.63Å; F404-F424 HydrophobicContact CD1-CG 3.63Å; F404-F424 HydrophobicContact CE1-CB 3.9Å; F404-F424 AromaticContact CE1-CD1 3.87Å; F404-F424 HydrophobicContact CE1-CD1 3.87Å; F404-F424 AromaticContact CE1-CD2 3.19Å; F404-F424 HydrophobicContact CE1-CD2 3.19Å; F404-F424 HydrophobicContact CE1-CE1 4.15Å; F404-F424 AromaticContact CE1-CE2 3.53Å; F404-F424 HydrophobicContact CE1-CE2 3.53Å; F404-F424 AromaticContact CE1-CG 3.37Å; F404-F424 HydrophobicContact CE1-CG 3.37Å; F404-F424 AromaticContact CE1-CZ 4Å; F404-F424 HydrophobicContact CE1-CZ 4Å; F404-F424 HydrophobicContact CE2-CD2 4.21Å; F404-F424 HydrophobicContact CE2-CE2 4.32Å; F404-F424 HydrophobicContact CG-CB 4.4Å; F404-F424 HydrophobicContact CG-CD2 4.32Å; F404-F424 AromaticContact CZ-CD2 3.51Å; F404-F424 HydrophobicContact CZ-CD2 3.51Å; F404-F424 AromaticContact CZ-CE2 3.47Å; F404-F424 HydrophobicContact CZ-CE2 3.47Å; F404-F424 VanDerWaalsContact CZ-CE2 3.47Å; F404-F424 HydrophobicContact CZ-CG 4.17Å; F404-F424 HydrophobicContact CZ-CZ 4.1Å
405S93.6Very high94Very high75 Ų7552 Ų5252%0.52427%0.273SS..SBendtrans-65.4-18176.1-64.90000113.1F424S405-F424 WeakPolarHBondContact CB-O 3.48Å; S405-F424 PolarHBondContact N-O 3.15Å; S405-F424 PolarHBondContact OG-O 2.99Å
406G93.3Very high94.2Very high24 Ų2448.5 Ų48.525%0.24725%0.254CS..SBendtrans-158.8153.316600000108.5F404F404-G406 PolarHBondContact O-N 3.44Å
407I95.2Very high94.4Very high61 Ų6142.4 Ų42.431%0.31324%0.235SC..PPolyproline II helixtrans-71.5128.9178.3-56.8-63.6000108.8L360 M363L360-I407 HydrophobicContact CD1-CD1 4.39Å; L360-I407 HydrophobicContact CD1-CG2 4.2Å; M363-I407 HydrophobicContact CB-CD1 3.96Å; M363-I407 HydrophobicContact CB-CG1 4.02Å; M363-I407 HydrophobicContact CB-CG2 4.15Å; M363-I407 HydrophobicContact SD-CD1 3.94Å
408P96.2Very high94.7Very high2 Ų241.7 Ų41.71%0.01323%0.231CC..PPolyproline II helixtrans-66.1152.6-179.326.9-35.3000112L360 F404 M410 I428 L430L360-P408 HydrophobicContact CD1-CG 4.13Å; F404-P408 HydrophobicContact CD1-CG 4.46Å; F404-P408 HydrophobicContact CE1-CG 4.13Å; P408-M410 HydrophobicContact CB-CG 4.37Å; P408-M410 HydrophobicContact CG-CG 4.05Å; P408-M410 HydrophobicContact CG-SD 4.17Å; P408-M410 PolarHBondContact O-N 2.79Å; P408-I428 CarbonylContact C-O 3.54Å; P408-I428 VanDerWaalsContact CA-O 3.3Å; P408-I428 WeakPolarHBondContact CA-O 3.48Å; P408-I428 HydrophobicContact CB-CB 4.06Å; P408-I428 HydrophobicContact CB-CG2 4.2Å; P408-L430 HydrophobicContact CB-CD1 3.86Å; P408-L430 HydrophobicContact CB-CG 4.04Å; P408-L430 HydrophobicContact CG-CD1 3.92Å
409D96.1Very high94.9Very high38 Ų3840.3 Ų40.320%0.20322%0.221CC..EExtended strand (participates in β ladder)trans-68.4120.9162.8176.23.6000108.9N365 L411 I428 K429 L430N365-D409 PolarHBondContact ND2-OD1 3.37Å; N365-D409 WeakPolarHBondContact OD1-CA 3.41Å; N365-D409 PolarHBondContact OD1-OD1 3.34Å; D409-L411 WeakPolarHBondContact OD1-CB 3.28Å; D409-L411 PolarHBondContact OD1-N 2.86Å; D409-I428 PolarHBondContact N-O 2.96Å; D409-K429 HydrophobicContact CB-CB 4.38Å; D409-K429 HydrophobicContact CB-CG 3.99Å; D409-L430 PolarHBondContact O-N 3.02Å
410M95Very high95Very high0 Ų039.1 Ų39.10%022%0.216CC..EExtended strand (participates in β ladder)trans-122.512.6-179.3-53.8-157.1-37.400112.8L360 L361 N365 L366 V388 P408 E412 C413 L416 L430L360-M410 HydrophobicContact CD2-SD 4.13Å; L360-M410 HydrophobicContact CG-CE 4.28Å; L360-M410 HydrophobicContact CG-SD 4.03Å; L361-M410 HydrophobicContact CD2-CE 3.71Å; L361-M410 HydrophobicContact CG-CE 4.43Å; N365-M410 PolarHBondContact OD1-N 3.29Å; L366-M410 HydrophobicContact CD1-CB 3.88Å; L366-M410 HydrophobicContact CD1-CE 3.5Å; L366-M410 VanDerWaalsContact CD2-O 3.26Å; L366-M410 WeakPolarHBondContact CD2-O 3.24Å; L366-M410 HydrophobicContact CG-CB 3.98Å; V388-M410 HydrophobicContact CG2-CE 4.24Å; P408-M410 HydrophobicContact CB-CG 4.37Å; P408-M410 HydrophobicContact CG-CG 4.05Å; P408-M410 HydrophobicContact CG-SD 4.17Å; P408-M410 PolarHBondContact O-N 2.79Å; M410-E412 PolarHBondContact O-N 2.67Å; M410-E412 VanDerWaalsContact O-N 3.16Å; M410-C413 HydrophobicContact CB-CB 4.01Å; M410-C413 WeakPolarHBondContact O-CB 3.41Å; M410-C413 PolarHBondContact O-N 2.56Å; M410-L416 HydrophobicContact SD-CD2 4.31Å; M410-L430 HydrophobicContact CG-CD1 4.42Å; M410-L430 HydrophobicContact SD-CD1 4.4Å
411L93.5Very high95.1Very high30 Ų3041.5 Ų41.516%0.15723%0.228CC..EExtended strand (participates in β ladder)trans-58.1-30.7-176.8-82.8170.5000113.6N365 N379 R380 D409N365-L411 HydrophobicContact CB-CG 4.45Å; N365-L411 VanDerWaalsContact ND2-CD1 3.32Å; N365-L411 WeakPolarHBondContact ND2-CD1 3.29Å; N365-L411 WeakPolarHBondContact ND2-CG 3.45Å; N365-L411 WeakPolarHBondContact O-CD2 3.46Å; N379-L411 HydrophobicContact CB-CD1 4.1Å; N379-L411 HydrophobicContact CB-CD2 4.1Å; R380-L411 HydrophobicContact CB-CD2 4.49Å; R380-L411 WeakPolarHBondContact CD-O 3.35Å; R380-L411 PolarHBondContact NH1-O 3.21Å; D409-L411 WeakPolarHBondContact OD1-CB 3.28Å; D409-L411 PolarHBondContact OD1-N 2.86Å
412E93Very high95.3Very high87 Ų8737.4 Ų37.441%0.40721%0.207SC..EExtended strand (participates in β ladder)trans-111.213.8178.9-67.4172.7-13100112.1M410 R431 G432M410-E412 PolarHBondContact O-N 2.67Å; M410-E412 VanDerWaalsContact O-N 3.16Å; E412-R431 HydrophobicContact CB-CB 4.26Å; E412-R431 HydrophobicContact CB-CG 3.95Å; E412-R431 CarbonylContact O-C 3.32Å; E412-R431 WeakPolarHBondContact O-CA 3.46Å; E412-R431 IonicContact OE1-CZ 2.75Å; E412-R431 VanDerWaalsContact OE1-CZ 3.25Å; E412-R431 IonicContact OE1-NE 2.82Å; E412-R431 PolarHBondContact OE1-NE 2.64Å; E412-R431 IonicContact OE1-NH2 2.89Å; E412-R431 PolarHBondContact OE1-NH2 3.12Å; E412-R431 WeakPolarHBondContact OE2-CD 3.19Å; E412-R431 IonicContact OE2-CZ 3.72Å; E412-R431 VanDerWaalsContact OE2-CZ 3.23Å; E412-R431 IonicContact OE2-NE 2.67Å; E412-R431 PolarHBondContact OE2-NE 2.87Å; E412-R431 IonicContact OE2-NH1 3.03Å; E412-R431 IonicContact OE2-NH2 2.75Å; E412-G432 PolarHBondContact O-N 3.34Å
413C93.9Very high95.4Very high0 Ų032.9 Ų32.90%019%0.186CC..EExtended strand (participates in β ladder)trans-81.2140.2178.1-174.60000110.8R380 P386 M410 L430R380-C413 PolarHBondContact NH1-O 3.16Å; R380-C413 PolarHBondContact NH2-O 2.75Å; P386-C413 HydrophobicContact CB-CB 4.43Å; P386-C413 WeakPolarHBondContact CB-O 3.5Å; M410-C413 HydrophobicContact CB-CB 4.01Å; M410-C413 WeakPolarHBondContact O-CB 3.41Å; M410-C413 PolarHBondContact O-N 2.56Å; C413-L430 HydrophobicContact CB-CB 4.41Å; C413-L430 PolarHBondContact N-O 3.11Å
414D92.7Very high95.5Very high81 Ų8131.6 Ų31.643%0.43318%0.181SC..EExtended strand (participates in β ladder)trans-112.2-40.4173.8-62.7-37.1000111.6R380 P386 L387 G432R380-D414 IonicContact NH2-OD1 2.74Å; P386-D414 VanDerWaalsContact CA-O 3.3Å; P386-D414 WeakPolarHBondContact CA-O 3.2Å; L387-D414 PolarHBondContact N-O 3.06Å; D414-G432 PolarHBondContact N-O 3.09Å
415H94.4Very high95.5Very high42 Ų4231.6 Ų31.619%0.19418%0.184CC..EExtended strand (participates in β ladder)trans-145127.1-177.2-174.591000110.4L387 T417 G432 T433 V434L387-H415 WeakPolarHBondContact O-CA 3.36Å; H415-T417 PolarHBondContact NE2-OG1 2.89Å; H415-G432 PolarHBondContact N-O 3.41Å; H415-T433 HydrophobicContact CB-CG2 4.07Å; H415-T433 CarbonylContact O-C 3.34Å; H415-T433 WeakPolarHBondContact O-CA 3.47Å; H415-V434 PolarHBondContact O-N 3.41Å
416L96.8Very high95.6Very high0 Ų034.2 Ų34.20%019%0.186CC..EExtended strand (participates in β ladder)trans-125.9117.3173.5176.561.1000109.2L360 L387 V388 K389 M410 V418 L430 V434L360-L416 HydrophobicContact CD2-CD2 3.83Å; L387-L416 PolarHBondContact O-N 2.76Å; V388-L416 CarbonylContact C-O 3.43Å; V388-L416 WeakPolarHBondContact CA-O 3.33Å; V388-L416 HydrophobicContact CG1-CD2 4.17Å; V388-L416 HydrophobicContact CG2-CB 4.23Å; K389-L416 PolarHBondContact N-O 3.03Å; M410-L416 HydrophobicContact SD-CD2 4.31Å; L416-V418 HydrophobicContact CD1-CG2 3.66Å; L416-V418 HydrophobicContact CD2-CG2 4.4Å; L416-V418 HydrophobicContact CG-CG2 3.94Å; L416-L430 HydrophobicContact CD1-CD1 4.03Å; L416-L430 HydrophobicContact CD2-CD1 3.76Å; L416-L430 HydrophobicContact CG-CD1 4.47Å; L416-V434 WeakPolarHBondContact CA-O 3.22Å; L416-V434 HydrophobicContact CD1-CB 4.16Å; L416-V434 HydrophobicContact CD1-CG1 4.19Å
417T97.5Very high95.7Very high34 Ų3439.4 Ų39.421%0.20921%0.208CC..EExtended strand (participates in β ladder)trans-119.8124.4168.3-70.50000109.4K389 H415 V434 I435 I436K389-T417 CarbonylContact O-C 3.5Å; K389-T417 WeakPolarHBondContact O-CA 3.38Å; H415-T417 PolarHBondContact NE2-OG1 2.89Å; T417-V434 PolarHBondContact N-O 2.88Å; T417-I435 HydrophobicContact CG2-CG2 4.48Å; T417-I435 CarbonylContact O-C 3.56Å; T417-I435 WeakPolarHBondContact O-CA 3.48Å; T417-I436 PolarHBondContact O-N 3.09Å
418V97.4Very high95.8Very high1 Ų136.5 Ų36.51%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-125.3123.3178.1-173.70000108.8K389 L390 G391 F394 L416 V422 F424 I436K389-V418 PolarHBondContact O-N 3.4Å; L390-V418 CarbonylContact C-O 3.45Å; L390-V418 HydrophobicContact CD2-CB 3.98Å; L390-V418 HydrophobicContact CD2-CG2 3.9Å; G391-V418 PolarHBondContact N-O 2.91Å; F394-V418 HydrophobicContact CE2-CB 4.46Å; F394-V418 HydrophobicContact CE2-CG1 3.68Å; F394-V418 HydrophobicContact CZ-CG1 3.89Å; L416-V418 HydrophobicContact CD1-CG2 3.66Å; L416-V418 HydrophobicContact CD2-CG2 4.4Å; L416-V418 HydrophobicContact CG-CG2 3.94Å; V418-V422 HydrophobicContact CG1-CB 3.65Å; V418-V422 HydrophobicContact CG1-CG1 3.9Å; V418-V422 HydrophobicContact CG1-CG2 3.7Å; V418-F424 HydrophobicContact CG1-CE2 4.22Å; V418-F424 HydrophobicContact CG1-CZ 4.27Å; V418-F424 HydrophobicContact CG2-CE2 4.42Å; V418-F424 HydrophobicContact CG2-CZ 3.88Å; V418-I436 CarbonylContact C-O 3.58Å; V418-I436 WeakPolarHBondContact CA-O 3.4Å; V418-I436 HydrophobicContact CG1-CB 4.46Å
419S96.8Very high95.8Very high56 Ų5641 Ų4139%0.39221%0.212SC..EExtended strand (participates in β ladder)trans-131.3139.8179.1-172.90000111.1I436 A438S419-I436 PolarHBondContact N-O 2.78Å; S419-A438 PolarHBondContact O-N 3.26Å
420G95.5Very high95.8Very high18 Ų1839.2 Ų39.219%0.18620%0.203CC..SBendtrans88.2-165.618000000115V422 A438G420-V422 PolarHBondContact O-N 3.24Å; G420-A438 WeakPolarHBondContact CA-O 3.41Å
421D96.5Very high95.8Very high49 Ų4943.2 Ų43.226%0.26222%0.218SC..EExtended strand (participates in β ladder)trans-7981.1-178.2-170.516.8000111.1R403 W423 R443 I444R403-D421 IonicContact CZ-OD1 3.42Å; R403-D421 IonicContact NH1-OD1 2.75Å; R403-D421 PolarHBondContact NH1-OD1 3.24Å; R403-D421 IonicContact NH2-OD1 3.48Å; R403-D421 PolarHBondContact NH2-OD1 2.59Å; D421-W423 PolarHBondContact OD1-NE1 2.87Å; D421-R443 HydrophobicContact CB-CB 4.38Å; D421-R443 WeakPolarHBondContact O-CA 2.95Å; D421-I444 PolarHBondContact O-N 2.84Å
422V97.4Very high95.9Very high0 Ų042.1 Ų42.10%021%0.214CC..EExtended strand (participates in β ladder)trans-109.1138.8-178.6-175.50000111F394 R403 V418 G420 F424 I436 A438 I444 I446F394-V422 HydrophobicContact CE2-CB 4.45Å; F394-V422 HydrophobicContact CZ-CB 4.16Å; F394-V422 WeakPolarHBondContact CZ-O 3.12Å; R403-V422 PolarHBondContact NH1-O 2.85Å; V418-V422 HydrophobicContact CG1-CB 3.65Å; V418-V422 HydrophobicContact CG1-CG1 3.9Å; V418-V422 HydrophobicContact CG1-CG2 3.7Å; G420-V422 PolarHBondContact O-N 3.24Å; V422-F424 HydrophobicContact CB-CE2 4.48Å; V422-F424 HydrophobicContact CG1-CD2 4.28Å; V422-F424 HydrophobicContact CG1-CE2 3.68Å; V422-F424 HydrophobicContact CG1-CZ 3.96Å; V422-I436 HydrophobicContact CG1-CG2 3.87Å; V422-I436 HydrophobicContact CG2-CG2 3.85Å; V422-A438 HydrophobicContact CG2-CB 4.13Å; V422-I444 CarbonylContact C-O 3.18Å; V422-I444 WeakPolarHBondContact CA-O 3.45Å; V422-I444 HydrophobicContact CG2-CB 4.48Å; V422-I446 HydrophobicContact CG1-CG1 4.36Å
423W97.4Very high96Very high52 Ų5240.8 Ų40.820%0.19721%0.212CC..EExtended strand (participates in β ladder)trans-127143.2176.7-66.971.5000110.4K402 R403 D421 I444 D445 I446K402-W423 HydrophobicContact CD-CH2 3.77Å; K402-W423 HydrophobicContact CD-CZ3 4.32Å; K402-W423 HydrophobicContact CG-CH2 3.81Å; K402-W423 HydrophobicContact CG-CZ3 3.85Å; K402-W423 VanDerWaalsContact O-CZ3 3.26Å; K402-W423 WeakPolarHBondContact O-CZ3 3.35Å; R403-W423 HydrophobicContact CG-CD2 4.21Å; R403-W423 HydrophobicContact CG-CE3 4.47Å; R403-W423 HydrophobicContact CG-CZ2 4.48Å; R403-W423 VanDerWaalsContact NH1-NE1 3.18Å; D421-W423 PolarHBondContact OD1-NE1 2.87Å; W423-I444 PolarHBondContact N-O 3.38Å; W423-D445 VanDerWaalsContact CB-OD1 3.31Å; W423-D445 WeakPolarHBondContact CB-OD1 3.44Å; W423-I446 WeakPolarHBondContact O-CB 3.37Å; W423-I446 PolarHBondContact O-N 2.99Å
424F97.6Very high96.2Very high3 Ų340.8 Ų40.81%0.01321%0.212CC..EExtended strand (participates in β ladder)trans-118.2125.5-178.4-66-96.6000110.1F394 R403 F404 S405 V418 V422 I428 I436 I446F394-F424 HydrophobicContact CE1-CE2 4.37Å; F394-F424 HydrophobicContact CZ-CE2 4.13Å; R403-F424 PolarHBondContact O-N 2.78Å; F404-F424 HydrophobicContact CD1-CB 3.58Å; F404-F424 HydrophobicContact CD1-CD1 4.39Å; F404-F424 AromaticContact CD1-CD2 3.65Å; F404-F424 HydrophobicContact CD1-CD2 3.65Å; F404-F424 HydrophobicContact CD1-CE2 4.41Å; F404-F424 AromaticContact CD1-CG 3.63Å; F404-F424 HydrophobicContact CD1-CG 3.63Å; F404-F424 HydrophobicContact CE1-CB 3.9Å; F404-F424 AromaticContact CE1-CD1 3.87Å; F404-F424 HydrophobicContact CE1-CD1 3.87Å; F404-F424 AromaticContact CE1-CD2 3.19Å; F404-F424 HydrophobicContact CE1-CD2 3.19Å; F404-F424 HydrophobicContact CE1-CE1 4.15Å; F404-F424 AromaticContact CE1-CE2 3.53Å; F404-F424 HydrophobicContact CE1-CE2 3.53Å; F404-F424 AromaticContact CE1-CG 3.37Å; F404-F424 HydrophobicContact CE1-CG 3.37Å; F404-F424 AromaticContact CE1-CZ 4Å; F404-F424 HydrophobicContact CE1-CZ 4Å; F404-F424 HydrophobicContact CE2-CD2 4.21Å; F404-F424 HydrophobicContact CE2-CE2 4.32Å; F404-F424 HydrophobicContact CG-CB 4.4Å; F404-F424 HydrophobicContact CG-CD2 4.32Å; F404-F424 AromaticContact CZ-CD2 3.51Å; F404-F424 HydrophobicContact CZ-CD2 3.51Å; F404-F424 AromaticContact CZ-CE2 3.47Å; F404-F424 HydrophobicContact CZ-CE2 3.47Å; F404-F424 VanDerWaalsContact CZ-CE2 3.47Å; F404-F424 HydrophobicContact CZ-CG 4.17Å; F404-F424 HydrophobicContact CZ-CZ 4.1Å; S405-F424 WeakPolarHBondContact CB-O 3.48Å; S405-F424 PolarHBondContact N-O 3.15Å; S405-F424 PolarHBondContact OG-O 2.99Å; V418-F424 HydrophobicContact CG1-CE2 4.22Å; V418-F424 HydrophobicContact CG1-CZ 4.27Å; V418-F424 HydrophobicContact CG2-CE2 4.42Å; V418-F424 HydrophobicContact CG2-CZ 3.88Å; V422-F424 HydrophobicContact CB-CE2 4.48Å; V422-F424 HydrophobicContact CG1-CD2 4.28Å; V422-F424 HydrophobicContact CG1-CE2 3.68Å; V422-F424 HydrophobicContact CG1-CZ 3.96Å; F424-I428 HydrophobicContact CB-CG1 4.39Å; F424-I428 HydrophobicContact CD1-CG1 4.43Å; F424-I428 HydrophobicContact CD1-CG2 4.35Å; F424-I436 HydrophobicContact CE1-CD1 3.75Å; F424-I436 HydrophobicContact CZ-CD1 3.76Å; F424-I446 HydrophobicContact CD1-CB 4.35Å; F424-I446 HydrophobicContact CD1-CG1 4.24Å; F424-I446 HydrophobicContact CE1-CG1 4.3Å
425G95.6Very high96.4Very high10 Ų1038.9 Ų38.910%0.10320%0.201CC..  trans-66.9-172.616900000113.3I428 I446G425-I428 WeakPolarHBondContact O-CG1 3.3Å; G425-I446 PolarHBondContact N-O 3.36Å
426K95.3Very high96.6Very high131 Ų13136.9 Ų36.957%0.5719%0.192SC*.SBendtrans-79.1155.9175.5-65.7-179.8179.2177.90111.1I428 P448 G449K426-I428 VanDerWaalsContact C-N 3.29Å; K426-I428 PolarHBondContact O-N 3.03Å; K426-P448 CarbonylContact O-C 3.5Å; K426-P448 VanDerWaalsContact O-CA 3.28Å; K426-P448 WeakPolarHBondContact O-CA 3.33Å; K426-G449 PolarHBondContact O-N 3.26Å
427N95.5Very high96.6Very high132 Ų13239.8 Ų39.871%0.70621%0.207SC*.SBendtrans57.633.6170.8-55-22.3000115.1G449N427-G449 WeakPolarHBondContact O-CA 3.5Å
428I97.1Very high96.5Very high1 Ų138.4 Ų38.41%0.00520%0.199CC..  trans-70.9141.9175.8-56.9-58.9000110.2P408 D409 F424 G425 K426 L430 I446 P447 A450P408-I428 CarbonylContact C-O 3.54Å; P408-I428 VanDerWaalsContact CA-O 3.3Å; P408-I428 WeakPolarHBondContact CA-O 3.48Å; P408-I428 HydrophobicContact CB-CB 4.06Å; P408-I428 HydrophobicContact CB-CG2 4.2Å; D409-I428 PolarHBondContact N-O 2.96Å; F424-I428 HydrophobicContact CB-CG1 4.39Å; F424-I428 HydrophobicContact CD1-CG1 4.43Å; F424-I428 HydrophobicContact CD1-CG2 4.35Å; G425-I428 WeakPolarHBondContact O-CG1 3.3Å; K426-I428 VanDerWaalsContact C-N 3.29Å; K426-I428 PolarHBondContact O-N 3.03Å; I428-L430 HydrophobicContact CG2-CD2 3.81Å; I428-L430 HydrophobicContact CG2-CG 4.19Å; I428-I446 HydrophobicContact CD1-CG2 3.76Å; I428-P447 WeakPolarHBondContact CD1-O 3.5Å; I428-A450 HydrophobicContact CD1-CB 3.93Å
429K97.1Very high96.4Very high96 Ų9643 Ų4342%0.41722%0.223SC..EExtended strand (participates in β ladder)trans-120.3126.2174.7-62.6-174.9174.8-176.10110.9D409 A450 L451 L452D409-K429 HydrophobicContact CB-CB 4.38Å; D409-K429 HydrophobicContact CB-CG 3.99Å; K429-A450 PolarHBondContact N-O 2.78Å; K429-L451 HydrophobicContact CB-CD1 3.47Å; K429-L451 VanDerWaalsContact CB-CD1 3.47Å; K429-L451 HydrophobicContact CD-CD1 4.27Å; K429-L451 HydrophobicContact CG-CD1 4.49Å; K429-L451 WeakPolarHBondContact O-CA 3.44Å; K429-L452 PolarHBondContact O-N 3.15Å
430L96.5Very high96.1Very high1 Ų149.9 Ų49.91%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-115.9122.5-178.6-56.1178.1000109.9P408 D409 M410 C413 L416 I428 V434 L452P408-L430 HydrophobicContact CB-CD1 3.86Å; P408-L430 HydrophobicContact CB-CG 4.04Å; P408-L430 HydrophobicContact CG-CD1 3.92Å; D409-L430 PolarHBondContact O-N 3.02Å; M410-L430 HydrophobicContact CG-CD1 4.42Å; M410-L430 HydrophobicContact SD-CD1 4.4Å; C413-L430 HydrophobicContact CB-CB 4.41Å; C413-L430 PolarHBondContact N-O 3.11Å; L416-L430 HydrophobicContact CD1-CD1 4.03Å; L416-L430 HydrophobicContact CD2-CD1 3.76Å; L416-L430 HydrophobicContact CG-CD1 4.47Å; I428-L430 HydrophobicContact CG2-CD2 3.81Å; I428-L430 HydrophobicContact CG2-CG 4.19Å; L430-V434 HydrophobicContact CB-CG2 4.45Å; L430-V434 HydrophobicContact CD2-CG1 4.26Å; L430-V434 HydrophobicContact CD2-CG2 4.38Å; L430-L452 HydrophobicContact CD2-CB 4.05Å; L430-L452 HydrophobicContact CD2-CD1 4.06Å; L430-L452 HydrophobicContact CD2-CG 4.41Å
431R95Very high95.9Very high83 Ų8351.9 Ų51.931%0.31327%0.27SS..EExtended strand (participates in β ladder)trans-129.3140-177.9-56.2-170.8164.3179-17.5112.3E412 T433 L451 L452 A453 N454E412-R431 HydrophobicContact CB-CB 4.26Å; E412-R431 HydrophobicContact CB-CG 3.95Å; E412-R431 CarbonylContact O-C 3.32Å; E412-R431 WeakPolarHBondContact O-CA 3.46Å; E412-R431 IonicContact OE1-CZ 2.75Å; E412-R431 VanDerWaalsContact OE1-CZ 3.25Å; E412-R431 IonicContact OE1-NE 2.82Å; E412-R431 PolarHBondContact OE1-NE 2.64Å; E412-R431 IonicContact OE1-NH2 2.89Å; E412-R431 PolarHBondContact OE1-NH2 3.12Å; E412-R431 WeakPolarHBondContact OE2-CD 3.19Å; E412-R431 IonicContact OE2-CZ 3.72Å; E412-R431 VanDerWaalsContact OE2-CZ 3.23Å; E412-R431 IonicContact OE2-NE 2.67Å; E412-R431 PolarHBondContact OE2-NE 2.87Å; E412-R431 IonicContact OE2-NH1 3.03Å; E412-R431 IonicContact OE2-NH2 2.75Å; R431-T433 PolarHBondContact O-N 3.45Å; R431-L451 HydrophobicContact CG-CD1 4.07Å; R431-L452 PolarHBondContact N-O 3.42Å; R431-A453 HydrophobicContact CB-CB 3.85Å; R431-A453 WeakPolarHBondContact O-CA 3.4Å; R431-N454 PolarHBondContact O-N 3.49Å
432G94.3Very high95.9Very high7 Ų751.7 Ų51.77%0.07227%0.269CS..EExtended strand (participates in β ladder)trans58.7-130.7-178.400000112.2E412 D414 H415 N454E412-G432 PolarHBondContact O-N 3.34Å; D414-G432 PolarHBondContact N-O 3.09Å; H415-G432 PolarHBondContact N-O 3.41Å; G432-N454 WeakPolarHBondContact CA-OD1 3.3Å
433T96Very high95.8Very high60 Ų6054.9 Ų54.937%0.36828%0.281SS..EExtended strand (participates in β ladder)trans-96.3117.9178.7-630000111.8H415 R431 I435 N454 K455H415-T433 HydrophobicContact CB-CG2 4.07Å; H415-T433 CarbonylContact O-C 3.34Å; H415-T433 WeakPolarHBondContact O-CA 3.47Å; R431-T433 PolarHBondContact O-N 3.45Å; T433-I435 HydrophobicContact CG2-CD1 4.29Å; T433-I435 HydrophobicContact CG2-CG1 4.21Å; T433-N454 PolarHBondContact N-OD1 3.15Å; T433-N454 CarbonylContact O-C 3.59Å; T433-N454 WeakPolarHBondContact O-CA 3.41Å; T433-K455 PolarHBondContact O-N 2.79Å; T433-K455 VanDerWaalsContact O-N 3.08Å
434V97.4Very high95.8Very high0 Ų052.6 Ų52.60%027%0.272CS..EExtended strand (participates in β ladder)trans-120.6124.4176.5-177.50000110H415 L416 T417 L430 I436 L452 K455H415-V434 PolarHBondContact O-N 3.41Å; L416-V434 WeakPolarHBondContact CA-O 3.22Å; L416-V434 HydrophobicContact CD1-CB 4.16Å; L416-V434 HydrophobicContact CD1-CG1 4.19Å; T417-V434 PolarHBondContact N-O 2.88Å; L430-V434 HydrophobicContact CB-CG2 4.45Å; L430-V434 HydrophobicContact CD2-CG1 4.26Å; L430-V434 HydrophobicContact CD2-CG2 4.38Å; V434-I436 HydrophobicContact CG1-CD1 4.23Å; V434-I436 HydrophobicContact CG1-CG1 3.99Å; V434-L452 HydrophobicContact CG1-CB 4.01Å; V434-L452 HydrophobicContact CG1-CD1 3.96Å; V434-L452 HydrophobicContact CG2-CB 3.99Å; V434-L452 WeakPolarHBondContact CG2-O 3.47Å; V434-K455 WeakPolarHBondContact CA-O 3.4Å
435I97.6Very high95.7Very high40 Ų4053 Ų5321%0.20527%0.274CS..EExtended strand (participates in β ladder)trans-125124.3177.2-58.1175.5000108T417 T433 I437 K455 I456 V457T417-I435 HydrophobicContact CG2-CG2 4.48Å; T417-I435 CarbonylContact O-C 3.56Å; T417-I435 WeakPolarHBondContact O-CA 3.48Å; T433-I435 HydrophobicContact CG2-CD1 4.29Å; T433-I435 HydrophobicContact CG2-CG1 4.21Å; I435-I437 HydrophobicContact CG2-CD1 3.89Å; I435-I437 HydrophobicContact CG2-CG1 3.85Å; I435-K455 PolarHBondContact N-O 2.82Å; I435-I456 HydrophobicContact CB-CG1 4.2Å; I435-I456 HydrophobicContact CB-CG2 4.25Å; I435-I456 HydrophobicContact CD1-CD1 4.44Å; I435-I456 HydrophobicContact CD1-CG1 4.39Å; I435-I456 HydrophobicContact CG2-CG2 4.32Å; I435-I456 CarbonylContact O-C 3.56Å; I435-I456 VanDerWaalsContact O-CA 3.27Å; I435-I456 WeakPolarHBondContact O-CA 3.36Å; I435-V457 PolarHBondContact O-N 2.86Å
436I97.5Very high95.8Very high0 Ų053 Ų530%027%0.272CS..EExtended strand (participates in β ladder)trans-123.1121.4179.8-49.9176.9000108.7T417 V418 S419 V422 F424 V434 I444 I446 L452 V457T417-I436 PolarHBondContact O-N 3.09Å; V418-I436 CarbonylContact C-O 3.58Å; V418-I436 WeakPolarHBondContact CA-O 3.4Å; V418-I436 HydrophobicContact CG1-CB 4.46Å; S419-I436 PolarHBondContact N-O 2.78Å; V422-I436 HydrophobicContact CG1-CG2 3.87Å; V422-I436 HydrophobicContact CG2-CG2 3.85Å; F424-I436 HydrophobicContact CE1-CD1 3.75Å; F424-I436 HydrophobicContact CZ-CD1 3.76Å; V434-I436 HydrophobicContact CG1-CD1 4.23Å; V434-I436 HydrophobicContact CG1-CG1 3.99Å; I436-I444 HydrophobicContact CG2-CD1 4.12Å; I436-I444 HydrophobicContact CG2-CG2 4.36Å; I436-I446 HydrophobicContact CD1-CD1 4.19Å; I436-I446 HydrophobicContact CD1-CG1 4.24Å; I436-L452 HydrophobicContact CD1-CD1 3.93Å; I436-V457 CarbonylContact C-O 3.51Å; I436-V457 VanDerWaalsContact CA-O 3.28Å; I436-V457 WeakPolarHBondContact CA-O 3.48Å; I436-V457 HydrophobicContact CG1-CB 4.3Å; I436-V457 HydrophobicContact CG2-CB 4.3Å; I436-V457 HydrophobicContact CG2-CG1 4.49Å
437I97.1Very high95.8Very high62 Ų6249.5 Ų49.532%0.31826%0.263SS..EExtended strand (participates in β ladder)trans-129.9107.8-175.6-52177.9000109.4I435 I444 V457 S458I435-I437 HydrophobicContact CG2-CD1 3.89Å; I435-I437 HydrophobicContact CG2-CG1 3.85Å; I437-I444 WeakPolarHBondContact O-CD1 3.22Å; I437-V457 PolarHBondContact N-O 3.48Å; I437-S458 WeakPolarHBondContact O-CA 3.35Å
438A96.3Very high95.8Very high4 Ų447.6 Ų47.63%0.03326%0.258CS..PPolyproline II helixtrans-94122.4162.800000108.4S419 G420 V422 I444S419-A438 PolarHBondContact O-N 3.26Å; G420-A438 WeakPolarHBondContact CA-O 3.41Å; V422-A438 HydrophobicContact CG2-CB 4.13Å; A438-I444 HydrophobicContact CB-CD1 3.93Å; A438-I444 HydrophobicContact CB-CG1 3.94Å
439N94.3Very high95.7Very high98 Ų9850 Ų5052%0.52428%0.282SS..PPolyproline II helixtrans-70.4170176.8-65.9-42.9000110.8G441 D442N439-G441 PolarHBondContact O-N 3.17Å; N439-G441 VanDerWaalsContact O-N 3.15Å; N439-D442 WeakPolarHBondContact CB-OD2 3.32Å; N439-D442 WeakPolarHBondContact O-CB 3.36Å; N439-D442 PolarHBondContact O-N 3.42Å
440H91.4Very high95.7Very high200 Ų20046.3 Ų46.393%0.92627%0.27SS*.THydrogen-bonded Turntrans-58.3120.6178.2-178.6-76.7000111.2D442H440-D442 VanDerWaalsContact C-N 3.33Å
441G91.9Very high95.7Very high61 Ų6150.7 Ų50.763%0.62929%0.293SS*.THydrogen-bonded Turntrans92.8-16.2-177.900000114.4N439N439-G441 PolarHBondContact O-N 3.17Å; N439-G441 VanDerWaalsContact O-N 3.15Å
442D95.2Very high95.8Very high44 Ų4447.8 Ų47.824%0.23528%0.284CS..  trans-85.6156.4174.2-65.9-32.3000111.3N439 H440 N460N439-D442 WeakPolarHBondContact CB-OD2 3.32Å; N439-D442 WeakPolarHBondContact O-CB 3.36Å; N439-D442 PolarHBondContact O-N 3.42Å; H440-D442 VanDerWaalsContact C-N 3.33Å; D442-N460 HydrophobicContact CB-CB 3.94Å; D442-N460 PolarHBondContact OD1-ND2 2.91Å
443R94.9Very high95.8Very high68 Ų6849.2 Ų49.226%0.25729%0.294SS..EExtended strand (participates in β ladder)trans-131.6141.5172.7174.6172.3168.6176.7-5.3109.4D421 D445 N460 L461D421-R443 HydrophobicContact CB-CB 4.38Å; D421-R443 WeakPolarHBondContact O-CA 2.95Å; R443-D445 IonicContact CZ-OD1 3.29Å; R443-D445 VanDerWaalsContact CZ-OD1 3.24Å; R443-D445 IonicContact CZ-OD2 2.79Å; R443-D445 IonicContact NE-OD1 3.52Å; R443-D445 PolarHBondContact NE-OD1 3.38Å; R443-D445 IonicContact NE-OD2 3.39Å; R443-D445 PolarHBondContact NE-OD2 2.87Å; R443-D445 IonicContact NH2-OD1 2.81Å; R443-D445 PolarHBondContact NH2-OD1 2.96Å; R443-D445 IonicContact NH2-OD2 3.43Å; R443-D445 PolarHBondContact NH2-OD2 3.19Å; R443-N460 PolarHBondContact N-OD1 3.43Å; R443-N460 CarbonylContact O-C 3.56Å; R443-N460 WeakPolarHBondContact O-CA 3.26Å; R443-N460 PolarHBondContact O-OD1 2.81Å; R443-L461 CarbonylContact O-C 3.51Å; R443-L461 PolarHBondContact O-N 3.02Å; R443-L461 VanDerWaalsContact O-O 3.08Å
444I97.3Very high95.8Very high3 Ų351.8 Ų51.82%0.01531%0.306CS..EExtended strand (participates in β ladder)trans-123.7114.5174.2-62.1173.9000109.1D421 V422 W423 I436 I437 A438 I446 V457 G459 L461D421-I444 PolarHBondContact O-N 2.84Å; V422-I444 CarbonylContact C-O 3.18Å; V422-I444 WeakPolarHBondContact CA-O 3.45Å; V422-I444 HydrophobicContact CG2-CB 4.48Å; W423-I444 PolarHBondContact N-O 3.38Å; I436-I444 HydrophobicContact CG2-CD1 4.12Å; I436-I444 HydrophobicContact CG2-CG2 4.36Å; I437-I444 WeakPolarHBondContact O-CD1 3.22Å; A438-I444 HydrophobicContact CB-CD1 3.93Å; A438-I444 HydrophobicContact CB-CG1 3.94Å; I444-I446 HydrophobicContact CG2-CD1 3.62Å; I444-I446 HydrophobicContact CG2-CG1 4.36Å; I444-V457 HydrophobicContact CG2-CG1 4.44Å; I444-G459 WeakPolarHBondContact CD1-O 3.31Å; I444-G459 WeakPolarHBondContact CG1-O 3.3Å; I444-L461 CarbonylContact C-O 3.57Å; I444-L461 WeakPolarHBondContact CA-O 3.43Å
445D97Very high95.7Very high11 Ų1157.9 Ų57.96%0.05933%0.332CS..EExtended strand (participates in β ladder)trans-95.6112.3168.8-62.9-35.8000109.4W423 R443 L461 R462 I463W423-D445 VanDerWaalsContact CB-OD1 3.31Å; W423-D445 WeakPolarHBondContact CB-OD1 3.44Å; R443-D445 IonicContact CZ-OD1 3.29Å; R443-D445 VanDerWaalsContact CZ-OD1 3.24Å; R443-D445 IonicContact CZ-OD2 2.79Å; R443-D445 IonicContact NE-OD1 3.52Å; R443-D445 PolarHBondContact NE-OD1 3.38Å; R443-D445 IonicContact NE-OD2 3.39Å; R443-D445 PolarHBondContact NE-OD2 2.87Å; R443-D445 IonicContact NH2-OD1 2.81Å; R443-D445 PolarHBondContact NH2-OD1 2.96Å; R443-D445 IonicContact NH2-OD2 3.43Å; R443-D445 PolarHBondContact NH2-OD2 3.19Å; D445-L461 PolarHBondContact N-O 2.81Å; D445-L461 WeakPolarHBondContact O-CD2 3.28Å; D445-R462 VanDerWaalsContact OD2-CA 3.3Å; D445-R462 WeakPolarHBondContact OD2-CA 3.43Å; D445-I463 HydrophobicContact CB-CB 4Å; D445-I463 HydrophobicContact CB-CD1 4.01Å; D445-I463 HydrophobicContact CB-CG1 3.9Å; D445-I463 WeakPolarHBondContact O-CD1 3.18Å; D445-I463 PolarHBondContact OD2-N 3.45Å
446I97Very high95.7Very high10 Ų1061.7 Ų61.75%0.05135%0.352CS..EExtended strand (participates in β ladder)trans-79.7119.4174.7-55.2-60.7000108.5V422 W423 F424 G425 I428 I436 I444 A450 L452 V457V422-I446 HydrophobicContact CG1-CG1 4.36Å; W423-I446 WeakPolarHBondContact O-CB 3.37Å; W423-I446 PolarHBondContact O-N 2.99Å; F424-I446 HydrophobicContact CD1-CB 4.35Å; F424-I446 HydrophobicContact CD1-CG1 4.24Å; F424-I446 HydrophobicContact CE1-CG1 4.3Å; G425-I446 PolarHBondContact N-O 3.36Å; I428-I446 HydrophobicContact CD1-CG2 3.76Å; I436-I446 HydrophobicContact CD1-CD1 4.19Å; I436-I446 HydrophobicContact CD1-CG1 4.24Å; I444-I446 HydrophobicContact CG2-CD1 3.62Å; I444-I446 HydrophobicContact CG2-CG1 4.36Å; I446-A450 HydrophobicContact CG2-CB 3.77Å; I446-L452 HydrophobicContact CD1-CD1 4.47Å; I446-L452 HydrophobicContact CG2-CD1 4.42Å; I446-V457 HydrophobicContact CD1-CG1 4.36Å
447P95.6Very high95.5Very high58 Ų5863.5 Ų63.538%0.37736%0.363SS..PPolyproline II helixtrans-64148.4-174.523.3-31.1000111.8I428 A450 I463I428-P447 WeakPolarHBondContact CD1-O 3.5Å; P447-A450 HydrophobicContact CG-CB 4.24Å; P447-A450 VanDerWaalsContact O-CB 3.3Å; P447-A450 WeakPolarHBondContact O-CB 3.32Å; P447-A450 PolarHBondContact O-N 3.26Å; P447-I463 HydrophobicContact CB-CD1 3.66Å; P447-I463 HydrophobicContact CG-CD1 4.31Å
448P95.8Very high95.4Very high93 Ų9364.7 Ų64.760%0.60438%0.377SS*.THydrogen-bonded Turntrans-53.8141.3175-23.332.9000112.4K426 A450K426-P448 CarbonylContact O-C 3.5Å; K426-P448 VanDerWaalsContact O-CA 3.28Å; K426-P448 WeakPolarHBondContact O-CA 3.33Å; P448-A450 VanDerWaalsContact C-N 3.25Å; P448-A450 PolarHBondContact O-N 2.82Å
449G95.3Very high95.2Very high50 Ų5065.9 Ų65.952%0.51539%0.39SS..THydrogen-bonded Turntrans77.20.8179.900000115.4K426 N427 L451K426-G449 PolarHBondContact O-N 3.26Å; N427-G449 WeakPolarHBondContact O-CA 3.5Å; G449-L451 PolarHBondContact O-N 2.79Å
450A96.4Very high95.2Very high20 Ų2065.5 Ų65.517%0.16539%0.387CS..  trans-60.9135.9-178.900000112.3I428 K429 I446 P447 P448I428-A450 HydrophobicContact CD1-CB 3.93Å; K429-A450 PolarHBondContact N-O 2.78Å; I446-A450 HydrophobicContact CG2-CB 3.77Å; P447-A450 HydrophobicContact CG-CB 4.24Å; P447-A450 VanDerWaalsContact O-CB 3.3Å; P447-A450 WeakPolarHBondContact O-CB 3.32Å; P447-A450 PolarHBondContact O-N 3.26Å; P448-A450 VanDerWaalsContact C-N 3.25Å; P448-A450 PolarHBondContact O-N 2.82Å
451L96.7Very high95.3Very high93 Ų9360.2 Ų60.249%0.48737%0.366SS..EExtended strand (participates in β ladder)trans-105.5112171.6176.168.6000109K429 R431 G449K429-L451 HydrophobicContact CB-CD1 3.47Å; K429-L451 VanDerWaalsContact CB-CD1 3.47Å; K429-L451 HydrophobicContact CD-CD1 4.27Å; K429-L451 HydrophobicContact CG-CD1 4.49Å; K429-L451 WeakPolarHBondContact O-CA 3.44Å; R431-L451 HydrophobicContact CG-CD1 4.07Å; G449-L451 PolarHBondContact O-N 2.79Å
452L96.3Very high95.3Very high22 Ų2265.2 Ų65.212%0.11537%0.366CS..EExtended strand (participates in β ladder)trans-107.7110.5175.8-57.7179.5000109K429 L430 R431 V434 I436 I446 V457K429-L452 PolarHBondContact O-N 3.15Å; L430-L452 HydrophobicContact CD2-CB 4.05Å; L430-L452 HydrophobicContact CD2-CD1 4.06Å; L430-L452 HydrophobicContact CD2-CG 4.41Å; R431-L452 PolarHBondContact N-O 3.42Å; V434-L452 HydrophobicContact CG1-CB 4.01Å; V434-L452 HydrophobicContact CG1-CD1 3.96Å; V434-L452 HydrophobicContact CG2-CB 3.99Å; V434-L452 WeakPolarHBondContact CG2-O 3.47Å; I436-L452 HydrophobicContact CD1-CD1 3.93Å; I446-L452 HydrophobicContact CD1-CD1 4.47Å; I446-L452 HydrophobicContact CG2-CD1 4.42Å; L452-V457 HydrophobicContact CD1-CG2 4.38Å; L452-V457 HydrophobicContact CD2-CG2 4.13Å
453A96Very high95.1Very high36 Ų3667 Ų6730%0.29837%0.374SS..EExtended strand (participates in β ladder)trans-126.5111-177.600000111.2R431 K455R431-A453 HydrophobicContact CB-CB 3.85Å; R431-A453 WeakPolarHBondContact O-CA 3.4Å; A453-K455 WeakPolarHBondContact O-CG 3.05Å; A453-K455 PolarHBondContact O-N 2.95Å
454N95.8Very high94.8Very high115 Ų11571.5 Ų71.562%0.61540%0.4SS*.EExtended strand (participates in β ladder)trans53.851-178-63.3-47.1000113.1R431 G432 T433R431-N454 PolarHBondContact O-N 3.49Å; G432-N454 WeakPolarHBondContact CA-OD1 3.3Å; T433-N454 PolarHBondContact N-OD1 3.15Å; T433-N454 CarbonylContact O-C 3.59Å; T433-N454 WeakPolarHBondContact O-CA 3.41Å
455K95.6Very high94.4Very high127 Ų12779.4 Ų79.455%0.55244%0.442SS*.EExtended strand (participates in β ladder)trans-127.5147.6-175.1-62.5-58.4175.5-176.90112.6T433 V434 I435 A453T433-K455 PolarHBondContact O-N 2.79Å; T433-K455 VanDerWaalsContact O-N 3.08Å; V434-K455 WeakPolarHBondContact CA-O 3.4Å; I435-K455 PolarHBondContact N-O 2.82Å; A453-K455 WeakPolarHBondContact O-CG 3.05Å; A453-K455 PolarHBondContact O-N 2.95Å
456I95.9Very high93.6Very high120 Ų12091 Ų9162%0.61550%0.496SS*.EExtended strand (participates in β ladder)trans-105.4124.8163.4-53.2-178.7000106.8I435I435-I456 HydrophobicContact CB-CG1 4.2Å; I435-I456 HydrophobicContact CB-CG2 4.25Å; I435-I456 HydrophobicContact CD1-CD1 4.44Å; I435-I456 HydrophobicContact CD1-CG1 4.39Å; I435-I456 HydrophobicContact CG2-CG2 4.32Å; I435-I456 CarbonylContact O-C 3.56Å; I435-I456 VanDerWaalsContact O-CA 3.27Å; I435-I456 WeakPolarHBondContact O-CA 3.36Å
457V95.1Very high93.4Very high38 Ų3895.1 Ų95.123%0.2352%0.518CS..EExtended strand (participates in β ladder)trans-113.6120.4177.6-177.70000107.9I435 I436 I437 I444 I446 L452I435-V457 PolarHBondContact O-N 2.86Å; I436-V457 CarbonylContact C-O 3.51Å; I436-V457 VanDerWaalsContact CA-O 3.28Å; I436-V457 WeakPolarHBondContact CA-O 3.48Å; I436-V457 HydrophobicContact CG1-CB 4.3Å; I436-V457 HydrophobicContact CG2-CB 4.3Å; I436-V457 HydrophobicContact CG2-CG1 4.49Å; I437-V457 PolarHBondContact N-O 3.48Å; I444-V457 HydrophobicContact CG2-CG1 4.44Å; I446-V457 HydrophobicContact CD1-CG1 4.36Å; L452-V457 HydrophobicContact CD1-CG2 4.38Å; L452-V457 HydrophobicContact CD2-CG2 4.13Å
458S94.5Very high93.3Very high88 Ų8897 Ų9762%0.61553%0.525SS*.EExtended strand (participates in β ladder)trans-140.4149.7176.860.10000110.5I437I437-S458 WeakPolarHBondContact O-CA 3.35Å
459G91.9Very high93.2Very high29 Ų2997.2 Ų97.230%0.29952%0.521SS..SBendtrans137.7-153.6176.300000112.2I444I444-G459 WeakPolarHBondContact CD1-O 3.31Å; I444-G459 WeakPolarHBondContact CG1-O 3.3Å
460N94.1Very high93.1Very high89 Ų89100 Ų10048%0.47652%0.521SS..  trans-134.9112.9-179.9-168.4-13.8000108.5D442 R443D442-N460 HydrophobicContact CB-CB 3.94Å; D442-N460 PolarHBondContact OD1-ND2 2.91Å; R443-N460 PolarHBondContact N-OD1 3.43Å; R443-N460 CarbonylContact O-C 3.56Å; R443-N460 WeakPolarHBondContact O-CA 3.26Å; R443-N460 PolarHBondContact O-OD1 2.81Å
461L93.9Very high92.9Very high90 Ų90105 Ų10547%0.47154%0.544SS..BIsolated β-bridgetrans-137.7120.6-177.9178.966.2000108.8R443 I444 D445R443-L461 CarbonylContact O-C 3.51Å; R443-L461 PolarHBondContact O-N 3.02Å; R443-L461 VanDerWaalsContact O-O 3.08Å; I444-L461 CarbonylContact C-O 3.57Å; I444-L461 WeakPolarHBondContact CA-O 3.43Å; D445-L461 PolarHBondContact N-O 2.81Å; D445-L461 WeakPolarHBondContact O-CD2 3.28Å
462R92.1Very high92.6Very high166 Ų166105.8 Ų105.863%0.62655%0.547SS*.  trans-113.6131.1173.2-66.2-172.9-178.3-175.31.1110.1D445D445-R462 VanDerWaalsContact OD2-CA 3.3Å; D445-R462 WeakPolarHBondContact OD2-CA 3.43Å
463I91.4Very high92.3Very high80 Ų80111.8 Ų111.841%0.4158%0.578SS.*  trans-108.6123.9173.9-61.3172.9000107D445 P447D445-I463 HydrophobicContact CB-CB 4Å; D445-I463 HydrophobicContact CB-CD1 4.01Å; D445-I463 HydrophobicContact CB-CG1 3.9Å; D445-I463 WeakPolarHBondContact O-CD1 3.18Å; D445-I463 PolarHBondContact OD2-N 3.45Å; P447-I463 HydrophobicContact CB-CD1 3.66Å; P447-I463 HydrophobicContact CG-CD1 4.31Å
464M88.1Confident92.1Very high164 Ų164117.6 Ų117.681%0.80860%0.6SS**  trans-114.9145.2180-62.4-177.965.500109.7
465D87.4Confident91.8Very high168 Ų168117.8 Ų117.890%0.89860%0.599SS**  trans-66.3135.5170.2-61.1-34.7000108.8
466H81.4Confident91.4Very high255 Ų255117 Ų117100%1.18160%0.603SS**  trans-89.50175.1179.4-59.1000110.7

Retrieved 466 of 466 residues in 1027.4 ms (Link to these results)

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