A0A060Y443_ONCMY Loading...

Kelch domain containing 4

AlphaFold DB , UniProt , Accession A0A060Y443, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene klhdc4, Length 585 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.5Very low51.5Low245 Ų245151.6 Ų151.6100%1.20774%0.736SS**  020.30-69.9-156.7-91.900115.3
2G52.7Low52Low64 Ų64145.8 Ų145.866%0.6672%0.716SS**  trans-98.5-0.5-169.200000119.1
3K51.8Low52.8Low199 Ų199144.9 Ų144.987%0.86571%0.706SS**SBendtrans-95.1-24.3-175.2-87.5-176.3176.6176.90115.1
4K48.5Very low53.5Low180 Ų180136.9 Ų136.978%0.78368%0.679SS**Hα-helixtrans-72-48177.7-95-173.9172.6-175.90112.3K6 K7 E8K4-K6 PolarHBondContact O-N 3.1Å; K4-K7 PolarHBondContact O-N 3.4Å; K4-K7 VanDerWaalsContact O-N 3.13Å; K4-E8 PolarHBondContact O-N 2.86Å
5G47.1Very low54.3Low39 Ų39131.9 Ų131.940%0.40267%0.668SS.*Hα-helixtrans-64.1-30-178.500000115.6Q9G5-Q9 WeakPolarHBondContact O-CB 3.44Å; G5-Q9 PolarHBondContact O-N 3.06Å
6K53Low55.2Low163 Ų163131.2 Ų131.271%0.70966%0.661SS**Hα-helixtrans-71.9-30.5175.1-103.7-177.8178.8177.70113K4 K10K4-K6 PolarHBondContact O-N 3.1Å; K6-K10 WeakPolarHBondContact O-CB 3.43Å; K6-K10 PolarHBondContact O-N 3.43Å
7K53.3Low56.3Low173 Ų173132.5 Ų132.575%0.75266%0.662SS**Hα-helixtrans-78.3-39179.4-137.1179.6-176.4-174.60110.5K4 K10 K11K4-K7 PolarHBondContact O-N 3.4Å; K4-K7 VanDerWaalsContact O-N 3.13Å; K7-K10 PolarHBondContact O-N 2.85Å; K7-K11 WeakPolarHBondContact O-CB 3.37Å; K7-K11 PolarHBondContact O-N 3.01Å
8E51.3Low57.3Low130 Ų130130.4 Ų130.461%0.60766%0.657SS**Hα-helixtrans-64.2-48.7171.3-81.1172.915300112.3K4 K10 K11 V12K4-E8 PolarHBondContact O-N 2.86Å; E8-K10 VanDerWaalsContact C-N 3.26Å; E8-K10 PolarHBondContact O-N 3.48Å; E8-K11 PolarHBondContact O-N 3.09Å; E8-K11 VanDerWaalsContact O-N 3.07Å; E8-V12 WeakPolarHBondContact O-CG2 3.49Å; E8-V12 PolarHBondContact O-N 2.89Å
9Q49.3Very low58.2Low132 Ų132126.1 Ų126.162%0.61764%0.643SS**Hα-helixtrans-59.4-34.5175.4-88.3-176.8-13.100113.4G5 K13G5-Q9 WeakPolarHBondContact O-CB 3.44Å; G5-Q9 PolarHBondContact O-N 3.06Å; Q9-K13 WeakPolarHBondContact O-CB 3.31Å; Q9-K13 WeakPolarHBondContact O-CG 3.39Å; Q9-K13 PolarHBondContact O-N 3.02Å
10K57.2Low59.3Low169 Ų169122.7 Ų122.774%0.73564%0.636SS**Hα-helixtrans-74.8-31.3177.3-154176.9-174.9-175.80111.9K6 K7 E8 G14K6-K10 WeakPolarHBondContact O-CB 3.43Å; K6-K10 PolarHBondContact O-N 3.43Å; K7-K10 PolarHBondContact O-N 2.85Å; E8-K10 VanDerWaalsContact C-N 3.26Å; E8-K10 PolarHBondContact O-N 3.48Å; K10-G14 PolarHBondContact O-N 3Å
11K54.5Low60.4Low174 Ų174124.7 Ų124.776%0.75764%0.639SS**Hα-helixtrans-72.7-41.1174.4-155.1179.9-177.2-1710111.3K7 E8 G14 A15K7-K11 WeakPolarHBondContact O-CB 3.37Å; K7-K11 PolarHBondContact O-N 3.01Å; E8-K11 PolarHBondContact O-N 3.09Å; E8-K11 VanDerWaalsContact O-N 3.07Å; K11-G14 PolarHBondContact O-N 3.47Å; K11-A15 PolarHBondContact O-N 3.05Å
12V58.3Low61.9Low82 Ų82118.8 Ų118.850%0.49761%0.61SS.*Hα-helixtrans-62.2-48.9172.4174.60000110.8E8 G14 A15 E16E8-V12 WeakPolarHBondContact O-CG2 3.49Å; E8-V12 PolarHBondContact O-N 2.89Å; V12-G14 PolarHBondContact O-N 3.4Å; V12-A15 PolarHBondContact O-N 2.94Å; V12-E16 WeakPolarHBondContact O-CG 3.2Å; V12-E16 PolarHBondContact O-N 2.71Å
13K61.6Low63.2Low134 Ų134119.5 Ų119.558%0.58360%0.599SS**Hα-helixtrans-63.1-26.9174.2-76.4-177.1176.2-174.40113.9Q9 K17Q9-K13 WeakPolarHBondContact O-CB 3.31Å; Q9-K13 WeakPolarHBondContact O-CG 3.39Å; Q9-K13 PolarHBondContact O-N 3.02Å; K13-K17 VanDerWaalsContact O-CG 3.3Å; K13-K17 WeakPolarHBondContact O-CG 3.45Å; K13-K17 PolarHBondContact O-N 2.92Å
14G63.6Low64.7Low32 Ų32117.6 Ų117.633%0.3359%0.591SS.*Hα-helixtrans-71.4-4817300000111.5K10 K11 V12 K17 T18K10-G14 PolarHBondContact O-N 3Å; K11-G14 PolarHBondContact O-N 3.47Å; V12-G14 PolarHBondContact O-N 3.4Å; G14-K17 PolarHBondContact O-N 2.96Å; G14-T18 PolarHBondContact O-N 3.42Å; G14-T18 PolarHBondContact O-OG1 3Å; G14-T18 VanDerWaalsContact O-OG1 3.12Å
15A64.4Low66.4Low62 Ų62116.9 Ų116.951%0.51259%0.587SS.*Hα-helixtrans-62.1-43176.700000112.3K11 V12 K17 T18 A19K11-A15 PolarHBondContact O-N 3.05Å; V12-A15 PolarHBondContact O-N 2.94Å; A15-K17 VanDerWaalsContact C-N 3.34Å; A15-K17 PolarHBondContact O-N 3Å; A15-T18 PolarHBondContact O-N 3.09Å; A15-A19 WeakPolarHBondContact O-CB 2.99Å; A15-A19 PolarHBondContact O-N 3.16Å
16E69.4Low67.9Low121 Ų121117.7 Ų117.757%0.56558%0.582SS**Hα-helixtrans-61.1-39.7174.9-74.7175.1162.100112.4V12 A20V12-E16 WeakPolarHBondContact O-CG 3.2Å; V12-E16 PolarHBondContact O-N 2.71Å; E16-A20 VanDerWaalsContact O-CB 3.31Å; E16-A20 WeakPolarHBondContact O-CB 3.31Å; E16-A20 PolarHBondContact O-N 2.89Å
17K74.1Confident69.3Low153 Ų153112.2 Ų112.267%0.66556%0.564SS**Hα-helixtrans-69.3-35.1176.2-78.2-178.2178.9-169.50112.6K13 G14 A15 K21K13-K17 VanDerWaalsContact O-CG 3.3Å; K13-K17 WeakPolarHBondContact O-CG 3.45Å; K13-K17 PolarHBondContact O-N 2.92Å; G14-K17 PolarHBondContact O-N 2.96Å; A15-K17 VanDerWaalsContact C-N 3.34Å; A15-K17 PolarHBondContact O-N 3Å; K17-K21 WeakPolarHBondContact O-CG 3.25Å; K17-K21 PolarHBondContact O-N 2.89Å; K17-K21 VanDerWaalsContact O-N 3.14Å
18T73.1Confident70.6Confident96 Ų96112 Ų11259%0.58956%0.563SS**Hα-helixtrans-70.1-45175.4-57.70000110.8G14 A15 K21 M22G14-T18 PolarHBondContact O-N 3.42Å; G14-T18 PolarHBondContact O-OG1 3Å; G14-T18 VanDerWaalsContact O-OG1 3.12Å; A15-T18 PolarHBondContact O-N 3.09Å; T18-K21 PolarHBondContact O-N 3.25Å; T18-M22 WeakPolarHBondContact O-CB 3.49Å; T18-M22 PolarHBondContact O-N 2.62Å
19A75.4Confident72Confident47 Ų47113.3 Ų113.339%0.38856%0.563SS.*Hα-helixtrans-58.1-49.4174.300000111.2A15 K21 M22 D23A15-A19 WeakPolarHBondContact O-CB 2.99Å; A15-A19 PolarHBondContact O-N 3.16Å; A19-K21 VanDerWaalsContact C-N 3.29Å; A19-K21 PolarHBondContact O-N 3.29Å; A19-M22 PolarHBondContact O-N 3.48Å; A19-M22 VanDerWaalsContact O-N 3.12Å; A19-D23 WeakPolarHBondContact O-CB 3.5Å; A19-D23 VanDerWaalsContact O-CG 3.26Å; A19-D23 PolarHBondContact O-N 2.84Å
20A80.6Confident73.3Confident59 Ų59108.2 Ų108.249%0.48854%0.542SS..Hα-helixtrans-62.5-32.117800000113.8E16 K24E16-A20 VanDerWaalsContact O-CB 3.31Å; E16-A20 WeakPolarHBondContact O-CB 3.31Å; E16-A20 PolarHBondContact O-N 2.89Å; A20-K24 WeakPolarHBondContact O-CB 3.35Å; A20-K24 PolarHBondContact O-N 3.43Å
21K80.8Confident74.4Confident164 Ų164105.9 Ų105.971%0.71353%0.532SS*.Hα-helixtrans-71.8-42.8173.3-81.1-176.8177.6-173.30111.9K17 T18 A19 K24 K25K17-K21 WeakPolarHBondContact O-CG 3.25Å; K17-K21 PolarHBondContact O-N 2.89Å; K17-K21 VanDerWaalsContact O-N 3.14Å; T18-K21 PolarHBondContact O-N 3.25Å; A19-K21 VanDerWaalsContact C-N 3.29Å; A19-K21 PolarHBondContact O-N 3.29Å; K21-K24 PolarHBondContact O-N 2.83Å; K21-K25 PolarHBondContact O-N 2.86Å
22M80Confident75.7Confident121 Ų121105.7 Ų105.760%0.59653%0.526SS*.Hα-helixtrans-62.2-46.6176-172.6170.8178.200110.1T18 A19 K24 K25 I26T18-M22 WeakPolarHBondContact O-CB 3.49Å; T18-M22 PolarHBondContact O-N 2.62Å; A19-M22 PolarHBondContact O-N 3.48Å; A19-M22 VanDerWaalsContact O-N 3.12Å; M22-K24 PolarHBondContact O-N 3.33Å; M22-K25 WeakPolarHBondContact O-CB 3.33Å; M22-K25 PolarHBondContact O-N 3.39Å; M22-K25 VanDerWaalsContact O-N 3.09Å; M22-I26 HydrophobicContact CE-CD1 4.39Å; M22-I26 HydrophobicContact CG-CD1 3.99Å; M22-I26 WeakPolarHBondContact O-CG1 3.31Å; M22-I26 PolarHBondContact O-N 3.36Å
23D79.9Confident76.9Confident79 Ų79103.1 Ų103.142%0.42251%0.509SS..Hα-helixtrans-54.9-50.8171.8-70.7-22.8000110.5A19 K25 I26 S27 R201A19-D23 WeakPolarHBondContact O-CB 3.5Å; A19-D23 VanDerWaalsContact O-CG 3.26Å; A19-D23 PolarHBondContact O-N 2.84Å; D23-K25 PolarHBondContact O-N 2.87Å; D23-I26 PolarHBondContact O-N 2.99Å; D23-S27 PolarHBondContact O-N 3.4Å; D23-S27 PolarHBondContact O-OG 2.73Å; D23-S27 VanDerWaalsContact O-OG 3.13Å; D23-R201 PolarHBondContact O-NH2 2.88Å
24K83.5Confident77.8Confident160 Ų160102.1 Ų102.170%0.69651%0.506SS*.Hα-helixtrans-59.8-36.3179.7-168173.7-178.1177.20112.7A20 K21 M22 S27 K28A20-K24 WeakPolarHBondContact O-CB 3.35Å; A20-K24 PolarHBondContact O-N 3.43Å; K21-K24 PolarHBondContact O-N 2.83Å; M22-K24 PolarHBondContact O-N 3.33Å; K24-S27 WeakPolarHBondContact CA-OG 3.5Å; K24-S27 PolarHBondContact O-OG 2.72Å; K24-K28 PolarHBondContact O-N 3.42Å
25K83Confident78.8Confident164 Ų164105.5 Ų105.571%0.71351%0.513SS*.Hα-helixtrans-66.1-47.8176-169.8-177.6178.3-171.60111K21 M22 D23 S27 K28 R29K21-K25 PolarHBondContact O-N 2.86Å; M22-K25 WeakPolarHBondContact O-CB 3.33Å; M22-K25 PolarHBondContact O-N 3.39Å; M22-K25 VanDerWaalsContact O-N 3.09Å; D23-K25 PolarHBondContact O-N 2.87Å; K25-S27 VanDerWaalsContact C-N 3.31Å; K25-S27 PolarHBondContact O-N 3.44Å; K25-K28 PolarHBondContact O-N 3.17Å; K25-K28 VanDerWaalsContact O-N 3.16Å; K25-R29 PolarHBondContact O-N 2.78Å
26I80.3Confident80Confident57 Ų57106.7 Ų106.729%0.29251%0.511SS..Hα-helixtrans-61.4-38.5178.6-63.2165.3000110.9M22 D23 K28 R29 S30 R201M22-I26 HydrophobicContact CE-CD1 4.39Å; M22-I26 HydrophobicContact CG-CD1 3.99Å; M22-I26 WeakPolarHBondContact O-CG1 3.31Å; M22-I26 PolarHBondContact O-N 3.36Å; D23-I26 PolarHBondContact O-N 2.99Å; I26-K28 VanDerWaalsContact C-N 3.31Å; I26-K28 PolarHBondContact O-N 3.47Å; I26-R29 PolarHBondContact O-N 3.21Å; I26-S30 VanDerWaalsContact O-CB 3.29Å; I26-S30 WeakPolarHBondContact O-CB 3.35Å; I26-S30 PolarHBondContact O-N 2.98Å; I26-R201 HydrophobicContact CG2-CG 3.6Å
27S80.6Confident81Confident48 Ų48101.4 Ų101.434%0.33649%0.486SS..Hα-helixtrans-67.1-37.717833.50000111.5D23 K24 K25 K31 R201D23-S27 PolarHBondContact O-N 3.4Å; D23-S27 PolarHBondContact O-OG 2.73Å; D23-S27 VanDerWaalsContact O-OG 3.13Å; K24-S27 WeakPolarHBondContact CA-OG 3.5Å; K24-S27 PolarHBondContact O-OG 2.72Å; K25-S27 VanDerWaalsContact C-N 3.31Å; K25-S27 PolarHBondContact O-N 3.44Å; S27-K31 VanDerWaalsContact O-CB 3.23Å; S27-K31 WeakPolarHBondContact O-CB 3.33Å; S27-K31 PolarHBondContact O-N 2.95Å; S27-R201 PolarHBondContact OG-NH2 3Å
28K81.4Confident81.9Confident167 Ų16796 Ų9673%0.72647%0.471SS*.Hα-helixtrans-70.3-39.4-178.4-168.4-176.6177.7-1700110.3K24 K25 I26 R32K24-K28 PolarHBondContact O-N 3.42Å; K25-K28 PolarHBondContact O-N 3.17Å; K25-K28 VanDerWaalsContact O-N 3.16Å; I26-K28 VanDerWaalsContact C-N 3.31Å; I26-K28 PolarHBondContact O-N 3.47Å; K28-R32 WeakPolarHBondContact O-CB 3.33Å; K28-R32 PolarHBondContact O-N 3.14Å; K28-R32 VanDerWaalsContact O-N 3.17Å
29R80.5Confident82.9Confident158 Ų15894.3 Ų94.360%0.59647%0.466SS*.Hα-helixtrans-62.1-55.7173.4-178.6176.8175.4-178.60.6110.6K25 I26 K31 R32 E33K25-R29 PolarHBondContact O-N 2.78Å; I26-R29 PolarHBondContact O-N 3.21Å; R29-K31 VanDerWaalsContact C-N 3.31Å; R29-K31 PolarHBondContact O-N 3.03Å; R29-R32 WeakPolarHBondContact O-CA 3.45Å; R29-R32 WeakPolarHBondContact O-CB 3.26Å; R29-R32 PolarHBondContact O-N 2.81Å; R29-E33 HydrophobicContact CG-CG 4.4Å; R29-E33 VanDerWaalsContact CG-OE1 3.23Å; R29-E33 WeakPolarHBondContact CG-OE1 3.46Å; R29-E33 IonicContact CZ-OE1 3.42Å; R29-E33 IonicContact NE-OE1 3.62Å; R29-E33 PolarHBondContact NE-OE1 3.04Å; R29-E33 IonicContact NH2-OE1 2.95Å; R29-E33 PolarHBondContact NH2-OE1 3.07Å; R29-E33 WeakPolarHBondContact O-CG 3.49Å; R29-E33 PolarHBondContact O-N 3.04Å
30S76.9Confident83.8Confident25 Ų2594.2 Ų94.218%0.17546%0.459CS..Hα-helixtrans-54.2-42.6177.6175.70000113.9I26 R32 E33 E34I26-S30 VanDerWaalsContact O-CB 3.29Å; I26-S30 WeakPolarHBondContact O-CB 3.35Å; I26-S30 PolarHBondContact O-N 2.98Å; S30-R32 VanDerWaalsContact C-N 3.33Å; S30-R32 PolarHBondContact O-N 2.82Å; S30-E33 PolarHBondContact O-N 3.12Å; S30-E34 WeakPolarHBondContact O-CB 3.36Å; S30-E34 PolarHBondContact O-N 3.3Å
31K80.6Confident84.5Confident121 Ų12191.9 Ų91.953%0.52644%0.438SS..Hα-helixtrans-68-33.9178.4-169.4172.6-174-65.60112.3S27 R29 E35S27-K31 VanDerWaalsContact O-CB 3.23Å; S27-K31 WeakPolarHBondContact O-CB 3.33Å; S27-K31 PolarHBondContact O-N 2.95Å; R29-K31 VanDerWaalsContact C-N 3.31Å; R29-K31 PolarHBondContact O-N 3.03Å; K31-E35 IonicContact NZ-OE1 2.79Å; K31-E35 PolarHBondContact NZ-OE1 3.13Å; K31-E35 WeakPolarHBondContact O-CB 3.32Å; K31-E35 WeakPolarHBondContact O-CG 3.48Å; K31-E35 PolarHBondContact O-N 2.81Å; K31-E35 VanDerWaalsContact O-N 3.11Å
32R81.9Confident85.2Confident170 Ų17086.3 Ų86.364%0.64242%0.423SS*.Hα-helixtrans-69.3-46.6175-179-175.2176.1-178.32.1110.4K28 R29 S30 E34 E35 D36K28-R32 WeakPolarHBondContact O-CB 3.33Å; K28-R32 PolarHBondContact O-N 3.14Å; K28-R32 VanDerWaalsContact O-N 3.17Å; R29-R32 WeakPolarHBondContact O-CA 3.45Å; R29-R32 WeakPolarHBondContact O-CB 3.26Å; R29-R32 PolarHBondContact O-N 2.81Å; S30-R32 VanDerWaalsContact C-N 3.33Å; S30-R32 PolarHBondContact O-N 2.82Å; R32-E34 PolarHBondContact O-N 3.28Å; R32-E35 CarbonylContact O-C 3.58Å; R32-E35 WeakPolarHBondContact O-CA 3.38Å; R32-E35 WeakPolarHBondContact O-CB 3.29Å; R32-E35 PolarHBondContact O-N 3.26Å; R32-E35 VanDerWaalsContact O-N 3.09Å; R32-D36 IonicContact NE-OD2 3.43Å; R32-D36 WeakPolarHBondContact O-CB 3.45Å; R32-D36 PolarHBondContact O-N 2.8Å
33E83Confident85.9Confident27 Ų2785.9 Ų85.913%0.12642%0.419CS..Hα-helixtrans-58.1-46.3176.6-77.3170.6174.600112.2R29 S30 E35 D36 L37 Q149R29-E33 HydrophobicContact CG-CG 4.4Å; R29-E33 VanDerWaalsContact CG-OE1 3.23Å; R29-E33 WeakPolarHBondContact CG-OE1 3.46Å; R29-E33 IonicContact CZ-OE1 3.42Å; R29-E33 IonicContact NE-OE1 3.62Å; R29-E33 PolarHBondContact NE-OE1 3.04Å; R29-E33 IonicContact NH2-OE1 2.95Å; R29-E33 PolarHBondContact NH2-OE1 3.07Å; R29-E33 WeakPolarHBondContact O-CG 3.49Å; R29-E33 PolarHBondContact O-N 3.04Å; S30-E33 PolarHBondContact O-N 3.12Å; E33-E35 VanDerWaalsContact C-N 3.32Å; E33-E35 PolarHBondContact O-N 3Å; E33-D36 PolarHBondContact O-N 3.36Å; E33-L37 PolarHBondContact O-N 3.06Å; E33-Q149 VanDerWaalsContact CG-NE2 3.34Å
34E81.4Confident86.6Confident113 Ų11384.7 Ų84.753%0.52841%0.411SS..Hα-helixtrans-62.9-37.4173.3-171.3-174.3171.100112.3S30 R32 A38S30-E34 WeakPolarHBondContact O-CB 3.36Å; S30-E34 PolarHBondContact O-N 3.3Å; R32-E34 PolarHBondContact O-N 3.28Å; E34-A38 VanDerWaalsContact O-CB 3.25Å; E34-A38 WeakPolarHBondContact O-CB 3.12Å; E34-A38 PolarHBondContact O-N 3.08Å
35E84.1Confident87.1Confident104 Ų10481.1 Ų81.149%0.48640%0.396SS..Hα-helixtrans-66.7-39.3174.6-77165.4-170.300111.8K31 R32 E33 A38 A39K31-E35 IonicContact NZ-OE1 2.79Å; K31-E35 PolarHBondContact NZ-OE1 3.13Å; K31-E35 WeakPolarHBondContact O-CB 3.32Å; K31-E35 WeakPolarHBondContact O-CG 3.48Å; K31-E35 PolarHBondContact O-N 2.81Å; K31-E35 VanDerWaalsContact O-N 3.11Å; R32-E35 CarbonylContact O-C 3.58Å; R32-E35 WeakPolarHBondContact O-CA 3.38Å; R32-E35 WeakPolarHBondContact O-CB 3.29Å; R32-E35 PolarHBondContact O-N 3.26Å; R32-E35 VanDerWaalsContact O-N 3.09Å; E33-E35 VanDerWaalsContact C-N 3.32Å; E33-E35 PolarHBondContact O-N 3Å; E35-A38 PolarHBondContact O-N 2.96Å; E35-A39 WeakPolarHBondContact O-CB 3.39Å; E35-A39 PolarHBondContact O-N 3Å
36D89.2Confident87.7Confident87 Ų8776.1 Ų76.147%0.46538%0.382SS..Hα-helixtrans-66.8-45.8178.1-65.6-21.6000110.5R32 E33 A38 A39 L40R32-D36 IonicContact NE-OD2 3.43Å; R32-D36 WeakPolarHBondContact O-CB 3.45Å; R32-D36 PolarHBondContact O-N 2.8Å; E33-D36 PolarHBondContact O-N 3.36Å; D36-A38 PolarHBondContact O-N 3.22Å; D36-A39 PolarHBondContact O-N 3.31Å; D36-L40 PolarHBondContact O-N 2.95Å
37L91.1Very high88.3Confident9 Ų977 Ų775%0.04739%0.387CS..Hα-helixtrans-60.7-45172.3-77.7-174.9000112.3E33 A39 L40 I41 F142 Q149E33-L37 PolarHBondContact O-N 3.06Å; L37-A39 VanDerWaalsContact C-N 3.28Å; L37-A39 PolarHBondContact O-N 2.76Å; L37-L40 PolarHBondContact O-N 3.47Å; L37-I41 WeakPolarHBondContact O-CB 3.34Å; L37-I41 WeakPolarHBondContact O-CD1 3.28Å; L37-I41 VanDerWaalsContact O-CG1 3.25Å; L37-I41 WeakPolarHBondContact O-CG1 3.07Å; L37-I41 PolarHBondContact O-N 3.42Å; L37-F142 HydrophobicContact CD2-CD1 4.11Å; L37-F142 HydrophobicContact CD2-CE1 4.01Å; L37-Q149 HydrophobicContact CD1-CB 3.8Å
38A92.6Very high88.9Confident41 Ų4175.3 Ų75.334%0.33937%0.374SS..Hα-helixtrans-63.4-35.7178.600000112E34 E35 D36 A42 Y151E34-A38 VanDerWaalsContact O-CB 3.25Å; E34-A38 WeakPolarHBondContact O-CB 3.12Å; E34-A38 PolarHBondContact O-N 3.08Å; E35-A38 PolarHBondContact O-N 2.96Å; D36-A38 PolarHBondContact O-N 3.22Å; A38-A42 WeakPolarHBondContact O-CB 3.34Å; A38-A42 PolarHBondContact O-N 3.36Å; A38-Y151 HydrophobicContact CB-CE2 4.42Å
39A94Very high89.4Confident59 Ų5969.9 Ų69.949%0.48836%0.361SS..Hα-helixtrans-66.6-45.3174.600000111.6E35 D36 L37 I41 A42 E43E35-A39 WeakPolarHBondContact O-CB 3.39Å; E35-A39 PolarHBondContact O-N 3Å; D36-A39 PolarHBondContact O-N 3.31Å; L37-A39 VanDerWaalsContact C-N 3.28Å; L37-A39 PolarHBondContact O-N 2.76Å; A39-I41 PolarHBondContact O-N 3.15Å; A39-A42 WeakPolarHBondContact O-CB 3.17Å; A39-A42 PolarHBondContact O-N 3.04Å; A39-A42 VanDerWaalsContact O-N 3.15Å; A39-E43 PolarHBondContact O-N 3.26Å
40L93.6Very high90Very high45 Ų4569.6 Ų69.624%0.23636%0.364CS..Hα-helixtrans-61.6-43.5176.2-179.959.9000111.9D36 L37 A42 E43 F44 F142 P145D36-L40 PolarHBondContact O-N 2.95Å; L37-L40 PolarHBondContact O-N 3.47Å; L40-A42 VanDerWaalsContact C-N 3.31Å; L40-A42 PolarHBondContact O-N 2.93Å; L40-E43 WeakPolarHBondContact O-CB 3.22Å; L40-E43 PolarHBondContact O-N 3.11Å; L40-F44 HydrophobicContact CD1-CD2 4.28Å; L40-F44 HydrophobicContact CD1-CE2 3.66Å; L40-F44 HydrophobicContact CD1-CZ 3.95Å; L40-F44 HydrophobicContact CD2-CE2 4.2Å; L40-F44 HydrophobicContact CG-CD2 4.15Å; L40-F44 HydrophobicContact CG-CE2 3.65Å; L40-F44 HydrophobicContact CG-CZ 4.4Å; L40-F44 VanDerWaalsContact O-CD2 3.29Å; L40-F44 WeakPolarHBondContact O-CD2 3.09Å; L40-F44 PolarHBondContact O-N 2.9Å; L40-F142 HydrophobicContact CD2-CE1 3.94Å; L40-F142 HydrophobicContact CD2-CZ 3.98Å; L40-F142 HydrophobicContact CG-CE1 4.48Å; L40-F142 HydrophobicContact CG-CZ 4.38Å; L40-P145 HydrophobicContact CD2-CG 4.45Å
41I95.3Very high90.7Very high10 Ų1072.2 Ų72.25%0.05137%0.372CS..Hα-helixtrans-59.8-44.3173.8-68.8163.2000110.4L37 A39 E43 F44 Q45 P118 F142 Y151 Y153L37-I41 WeakPolarHBondContact O-CB 3.34Å; L37-I41 WeakPolarHBondContact O-CD1 3.28Å; L37-I41 VanDerWaalsContact O-CG1 3.25Å; L37-I41 WeakPolarHBondContact O-CG1 3.07Å; L37-I41 PolarHBondContact O-N 3.42Å; A39-I41 PolarHBondContact O-N 3.15Å; I41-E43 VanDerWaalsContact C-N 3.3Å; I41-E43 PolarHBondContact O-N 2.96Å; I41-F44 PolarHBondContact O-N 2.66Å; I41-Q45 HydrophobicContact CG2-CG 4.43Å; I41-Q45 VanDerWaalsContact O-CG 3.28Å; I41-Q45 WeakPolarHBondContact O-CG 3.34Å; I41-Q45 PolarHBondContact O-N 2.97Å; I41-P118 HydrophobicContact CG2-CB 4.1Å; I41-P118 HydrophobicContact CG2-CG 4.27Å; I41-F142 HydrophobicContact CD1-CB 4.06Å; I41-F142 HydrophobicContact CD1-CD1 4.02Å; I41-F142 HydrophobicContact CD1-CG 4.1Å; I41-F142 HydrophobicContact CG1-CB 4.4Å; I41-F142 HydrophobicContact CG1-CD1 3.88Å; I41-F142 HydrophobicContact CG1-CD2 4.41Å; I41-F142 HydrophobicContact CG1-CE1 4.29Å; I41-F142 HydrophobicContact CG1-CG 3.97Å; I41-Y151 HydrophobicContact CD1-CD1 3.61Å; I41-Y151 HydrophobicContact CD1-CD2 4.18Å; I41-Y151 HydrophobicContact CD1-CE1 4.22Å; I41-Y151 HydrophobicContact CD1-CG 3.6Å; I41-Y153 HydrophobicContact CD1-CE1 4.26Å; I41-Y153 WeakPolarHBondContact CD1-OH 3.33Å; I41-Y153 HydrophobicContact CG2-CE1 4.45Å
42A95.4Very high91.4Very high48 Ų4871.9 Ų71.940%0.39738%0.38SS..Hα-helixtrans-64.2-35.6178.500000112.4A38 A39 L40 Q45 S46A38-A42 WeakPolarHBondContact O-CB 3.34Å; A38-A42 PolarHBondContact O-N 3.36Å; A39-A42 WeakPolarHBondContact O-CB 3.17Å; A39-A42 PolarHBondContact O-N 3.04Å; A39-A42 VanDerWaalsContact O-N 3.15Å; L40-A42 VanDerWaalsContact C-N 3.31Å; L40-A42 PolarHBondContact O-N 2.93Å; A42-Q45 PolarHBondContact O-N 3.37Å; A42-S46 PolarHBondContact O-N 2.89Å
43E95.1Very high92Very high111 Ų11168.1 Ų68.152%0.51938%0.376SS..Hα-helixtrans-62.2-50.8173.1-174.3-178.7175.300111.1A39 L40 I41 Q45 S46 L47A39-E43 PolarHBondContact O-N 3.26Å; L40-E43 WeakPolarHBondContact O-CB 3.22Å; L40-E43 PolarHBondContact O-N 3.11Å; I41-E43 VanDerWaalsContact C-N 3.3Å; I41-E43 PolarHBondContact O-N 2.96Å; E43-Q45 VanDerWaalsContact C-N 3.28Å; E43-Q45 PolarHBondContact O-N 2.9Å; E43-S46 WeakPolarHBondContact O-CA 3.29Å; E43-S46 WeakPolarHBondContact O-CB 3.21Å; E43-S46 PolarHBondContact O-N 2.95Å; E43-S46 PolarHBondContact O-OG 3.44Å; E43-L47 PolarHBondContact O-N 2.9Å
44F94.5Very high92.7Very high55 Ų5569.8 Ų69.824%0.24139%0.388CS..Hα-helixtrans-58-42175.6-71.9-50.5000112.2L40 I41 S46 L47 D48 F142L40-F44 HydrophobicContact CD1-CD2 4.28Å; L40-F44 HydrophobicContact CD1-CE2 3.66Å; L40-F44 HydrophobicContact CD1-CZ 3.95Å; L40-F44 HydrophobicContact CD2-CE2 4.2Å; L40-F44 HydrophobicContact CG-CD2 4.15Å; L40-F44 HydrophobicContact CG-CE2 3.65Å; L40-F44 HydrophobicContact CG-CZ 4.4Å; L40-F44 VanDerWaalsContact O-CD2 3.29Å; L40-F44 WeakPolarHBondContact O-CD2 3.09Å; L40-F44 PolarHBondContact O-N 2.9Å; I41-F44 PolarHBondContact O-N 2.66Å; F44-S46 VanDerWaalsContact C-N 3.27Å; F44-S46 PolarHBondContact O-N 3.03Å; F44-L47 HydrophobicContact CD1-CD1 4.35Å; F44-L47 WeakPolarHBondContact O-CB 3.2Å; F44-L47 PolarHBondContact O-N 2.94Å; F44-L47 VanDerWaalsContact O-N 3.15Å; F44-D48 PolarHBondContact O-N 3.37Å; F44-F142 HydrophobicContact CD2-CE2 4.29Å; F44-F142 HydrophobicContact CD2-CZ 4.3Å; F44-F142 HydrophobicContact CE2-CE2 4.09Å; F44-F142 AromaticContact CE2-CZ 3.83Å; F44-F142 HydrophobicContact CE2-CZ 3.83Å
45Q94.5Very high93.4Very high84 Ų8467.6 Ų67.639%0.39338%0.383SS..Hα-helixtrans-61.5-36.2174.6-72.1179-53.700112.3I41 A42 E43 L47 D48 A49 P118I41-Q45 HydrophobicContact CG2-CG 4.43Å; I41-Q45 VanDerWaalsContact O-CG 3.28Å; I41-Q45 WeakPolarHBondContact O-CG 3.34Å; I41-Q45 PolarHBondContact O-N 2.97Å; A42-Q45 PolarHBondContact O-N 3.37Å; E43-Q45 VanDerWaalsContact C-N 3.28Å; E43-Q45 PolarHBondContact O-N 2.9Å; Q45-L47 VanDerWaalsContact C-N 3.33Å; Q45-D48 PolarHBondContact O-N 2.78Å; Q45-A49 WeakPolarHBondContact O-CB 3.43Å; Q45-A49 PolarHBondContact O-N 3.33Å; Q45-P118 HydrophobicContact CG-CG 3.98Å; Q45-P118 VanDerWaalsContact NE2-CG 3.27Å
46S94.8Very high94.1Very high60 Ų6067.9 Ų67.942%0.4238%0.384SS..Hα-helixtrans-66.8-35.8175.984.40000112.1A42 E43 F44A42-S46 PolarHBondContact O-N 2.89Å; E43-S46 WeakPolarHBondContact O-CA 3.29Å; E43-S46 WeakPolarHBondContact O-CB 3.21Å; E43-S46 PolarHBondContact O-N 2.95Å; E43-S46 PolarHBondContact O-OG 3.44Å; F44-S46 VanDerWaalsContact C-N 3.27Å; F44-S46 PolarHBondContact O-N 3.03Å
47L93.5Very high94.5Very high76 Ų7667 Ų6740%0.39838%0.382SS..Hα-helixtrans-67.9-44.5174-64.1176.7000110.9E43 F44 Q45 A49 K50E43-L47 PolarHBondContact O-N 2.9Å; F44-L47 HydrophobicContact CD1-CD1 4.35Å; F44-L47 WeakPolarHBondContact O-CB 3.2Å; F44-L47 PolarHBondContact O-N 2.94Å; F44-L47 VanDerWaalsContact O-N 3.15Å; Q45-L47 VanDerWaalsContact C-N 3.33Å; L47-A49 VanDerWaalsContact C-N 3.31Å; L47-A49 PolarHBondContact O-N 3.16Å; L47-K50 HydrophobicContact CD2-CD 4.48Å; L47-K50 WeakPolarHBondContact O-CB 3.34Å; L47-K50 PolarHBondContact O-N 3.38Å; L47-K50 VanDerWaalsContact O-N 3.17Å
48D92.6Very high94.9Very high11 Ų1170.9 Ų70.96%0.05942%0.415CS..Hα-helixtrans-65.4-34.6177.2-75.2-35.2000112.4F44 Q45 K50 K51 N96 P116F44-D48 PolarHBondContact O-N 3.37Å; Q45-D48 PolarHBondContact O-N 2.78Å; D48-K50 PolarHBondContact O-N 2.81Å; D48-K51 WeakPolarHBondContact O-CB 3.31Å; D48-K51 PolarHBondContact O-N 2.87Å; D48-K51 IonicContact OD1-NZ 2.87Å; D48-N96 PolarHBondContact OD2-ND2 2.81Å; D48-P116 HydrophobicContact CB-CG 4.07Å
49A92.5Very high95.1Very high54 Ų5470.5 Ų70.545%0.44641%0.41SS..Hα-helixtrans-64.8-18.8175.800000113.5Q45 L47 K51Q45-A49 WeakPolarHBondContact O-CB 3.43Å; Q45-A49 PolarHBondContact O-N 3.33Å; L47-A49 VanDerWaalsContact C-N 3.31Å; L47-A49 PolarHBondContact O-N 3.16Å; A49-K51 PolarHBondContact O-N 3.34Å
50K93.4Very high95.2Very high152 Ų15272.5 Ų72.566%0.66142%0.418SS*.THydrogen-bonded Turntrans-70.2-22.3172.2-61.6173.2-175176.30111.8L47 D48 T52L47-K50 HydrophobicContact CD2-CD 4.48Å; L47-K50 WeakPolarHBondContact O-CB 3.34Å; L47-K50 PolarHBondContact O-N 3.38Å; L47-K50 VanDerWaalsContact O-N 3.17Å; D48-K50 PolarHBondContact O-N 2.81Å; K50-T52 PolarHBondContact O-N 3.04Å
51K92.3Very high95.3Very high79 Ų7972.8 Ų72.834%0.34342%0.422SS..  trans-80.2108.2175.5-57.2177-177175.50109.3D48 A49 D112 P114D48-K51 WeakPolarHBondContact O-CB 3.31Å; D48-K51 PolarHBondContact O-N 2.87Å; D48-K51 IonicContact OD1-NZ 2.87Å; A49-K51 PolarHBondContact O-N 3.34Å; K51-D112 IonicContact NZ-OD1 3.3Å; K51-D112 PolarHBondContact NZ-OD1 3.09Å; K51-P114 VanDerWaalsContact O-CB 3.31Å; K51-P114 WeakPolarHBondContact O-CB 3.5Å
52T93.6Very high95.4Very high114 Ų11472.5 Ų72.570%0.69942%0.421SS*.  trans-107.9-9.5-172.754.30000114.4K50 P114K50-T52 PolarHBondContact O-N 3.04Å; T52-P114 VanDerWaalsContact C-CG 3.46Å
53T95.3Very high95.4Very high91 Ų9172.2 Ų72.256%0.55842%0.416SS*.SBendtrans-128.6152.8-17958.10000110.3V55T53-V55 PolarHBondContact O-N 3.31Å
54V97.2Very high95.4Very high63 Ų6367.9 Ų67.938%0.38240%0.397SS..  trans-75122.9173.9179.30000108.5D112 I113 N164V54-D112 WeakPolarHBondContact CA-O 3.19Å; V54-I113 HydrophobicContact CG1-CG1 4.25Å; V54-I113 HydrophobicContact CG2-CG1 4.49Å; V54-I113 HydrophobicContact CG2-CG2 4.46Å; V54-N164 HydrophobicContact CG1-CB 4.35Å; V54-N164 HydrophobicContact CG2-CB 4.32Å
55V97.7Very high95.6Very high67 Ų6765.3 Ų65.341%0.40639%0.386SS..EExtended strand (participates in β ladder)trans-120.8122.7176.4-178.40000109T53 S111 D112T53-V55 PolarHBondContact O-N 3.31Å; V55-S111 WeakPolarHBondContact O-CA 3.44Å; V55-D112 HydrophobicContact CB-CB 4.37Å; V55-D112 PolarHBondContact N-O 2.92Å; V55-D112 PolarHBondContact O-N 2.92Å
56E97.6Very high95.7Very high109 Ų10961.7 Ų61.751%0.50937%0.369SS..EExtended strand (participates in β ladder)trans-109.1121.6175-70.8-176.9169.200109.3V109 K110 N164E56-V109 HydrophobicContact CB-CG1 3.86Å; E56-V109 HydrophobicContact CG-CG1 4.32Å; E56-K110 CarbonylContact C-O 3.52Å; E56-K110 WeakPolarHBondContact CA-O 3.11Å; E56-N164 PolarHBondContact OE1-ND2 3.41Å
57T98.2Very high95.9Very high70 Ų7061.1 Ų61.143%0.42936%0.361SS..EExtended strand (participates in β ladder)trans-123.5123.4-176.5-52.50000109.3C59 V109 K110T57-C59 PolarHBondContact O-N 2.64Å; T57-V109 WeakPolarHBondContact O-CA 3.4Å; T57-K110 PolarHBondContact N-O 3.15Å; T57-K110 PolarHBondContact O-N 3.37Å
58A98.2Very high96.1Very high89 Ų8958.1 Ų58.174%0.73635%0.348SS*.EExtended strand (participates in β ladder)trans-61.3131.7169.300000109.1
59C97.6Very high96.3Very high34 Ų3458.1 Ų58.123%0.2335%0.349CS..EExtended strand (participates in β ladder)trans-139.4161.6-171.965.90000111.4T57 W108 K110T57-C59 PolarHBondContact O-N 2.64Å; C59-W108 PolarHBondContact N-O 3.03Å; C59-W108 VanDerWaalsContact N-O 3.1Å; C59-K110 HydrophobicContact CB-CB 4.44Å; C59-K110 PolarHBondContact SG-N 2.97Å
60P96.1Very high96.6Very high101 Ų10156 Ų5666%0.65633%0.33SS*.SBendtrans-62173.5163.829.2-36.2000111.1
61P95.6Very high96.8Very high51 Ų5149.4 Ų49.433%0.33130%0.303SS..SBendtrans-48.6143.4169.1-28.137000111.9V483P61-V483 HydrophobicContact CB-CB 4.44Å; P61-V483 HydrophobicContact CB-CG1 3.68Å; P61-V483 HydrophobicContact CB-CG2 3.9Å; P61-V483 HydrophobicContact CG-CB 4.26Å; P61-V483 HydrophobicContact CG-CG1 3.62Å; P61-V483 HydrophobicContact CG-CG2 3.57Å
62P97Very high97.1Very high3 Ų346.8 Ų46.82%0.01930%0.296CS..PPolyproline II helixtrans-59.6160.5179.4-21.232.9000112.1L81 F99 W108 Y452 N466P62-L81 HydrophobicContact CB-CD2 3.9Å; P62-L81 HydrophobicContact CG-CD2 3.66Å; P62-F99 HydrophobicContact CB-CD1 4.44Å; P62-F99 HydrophobicContact CB-CD2 3.95Å; P62-F99 HydrophobicContact CB-CE1 4.23Å; P62-F99 HydrophobicContact CB-CE2 3.68Å; P62-F99 HydrophobicContact CB-CG 4.31Å; P62-F99 HydrophobicContact CB-CZ 3.84Å; P62-F99 HydrophobicContact CG-CB 4.18Å; P62-F99 HydrophobicContact CG-CD1 3.89Å; P62-F99 HydrophobicContact CG-CD2 3.76Å; P62-F99 HydrophobicContact CG-CE1 4.14Å; P62-F99 HydrophobicContact CG-CE2 3.99Å; P62-F99 HydrophobicContact CG-CG 3.69Å; P62-F99 HydrophobicContact CG-CZ 4.19Å; P62-W108 HydrophobicContact CG-CD2 4.08Å; P62-W108 HydrophobicContact CG-CE3 3.75Å; P62-W108 HydrophobicContact CG-CH2 4.09Å; P62-W108 HydrophobicContact CG-CZ2 4.4Å; P62-W108 HydrophobicContact CG-CZ3 3.75Å; P62-Y452 WeakPolarHBondContact CB-OH 3.38Å; P62-Y452 PolarHBondContact O-OH 2.89Å; P62-N466 VanDerWaalsContact O-CB 3.28Å; P62-N466 WeakPolarHBondContact O-CB 3.21Å; P62-N466 PolarHBondContact O-ND2 2.86Å; P62-N466 VanDerWaalsContact O-ND2 3.15Å
63S95.1Very high97.2Very high43 Ų4341.6 Ų41.630%0.30126%0.263SS..PPolyproline II helixtrans-61.5159.2177.462.50000112.1R65 Y95 Y452S63-R65 PolarHBondContact O-N 2.91Å; S63-R65 PolarHBondContact O-NE 2.89Å; S63-R65 PolarHBondContact OG-NH2 2.84Å; S63-Y95 PolarHBondContact OG-OH 2.81Å; S63-Y452 PolarHBondContact O-OH 3.38Å
64P96.8Very high97.2Very high20 Ų2039 Ų3913%0.1325%0.248CC..SBendtrans-43.2130.1169.2-34.940.6000112.4F86 T464 L465 N466 M485P64-F86 HydrophobicContact CB-CD2 3.73Å; P64-F86 HydrophobicContact CB-CE2 3.82Å; P64-F86 HydrophobicContact CG-CE2 4.43Å; P64-T464 HydrophobicContact CB-CG2 3.95Å; P64-T464 WeakPolarHBondContact CB-O 2.88Å; P64-L465 WeakPolarHBondContact CA-O 3.38Å; P64-N466 HydrophobicContact CG-CB 4.29Å; P64-M485 HydrophobicContact CG-CE 4.19Å
65R97.4Very high97Very high1 Ų140.6 Ų40.60%0.00426%0.255CS..  trans-159.9150.8175.260.3-168.173-160.1-1.4114.6S63 G83 E85 Y95 D97 M441 Y452 G454 L465S63-R65 PolarHBondContact O-N 2.91Å; S63-R65 PolarHBondContact O-NE 2.89Å; S63-R65 PolarHBondContact OG-NH2 2.84Å; R65-G83 PolarHBondContact NH1-O 3.35Å; R65-E85 WeakPolarHBondContact CA-O 3.28Å; R65-E85 WeakPolarHBondContact CB-O 3.45Å; R65-Y95 HydrophobicContact CB-CD2 4.27Å; R65-Y95 HydrophobicContact CB-CE2 4.02Å; R65-D97 IonicContact CZ-OD1 3.83Å; R65-D97 IonicContact CZ-OD2 3.07Å; R65-D97 IonicContact NH1-OD1 3.3Å; R65-D97 PolarHBondContact NH1-OD1 2.75Å; R65-D97 IonicContact NH1-OD2 2.82Å; R65-D97 PolarHBondContact NH1-OD2 2.92Å; R65-D97 IonicContact NH2-OD1 3.37Å; R65-D97 IonicContact NH2-OD2 2.81Å; R65-D97 PolarHBondContact NH2-OD2 3.16Å; R65-M441 HydrophobicContact CG-SD 4.47Å; R65-M441 WeakPolarHBondContact O-CE 3.35Å; R65-Y452 HydrophobicContact CG-CE1 3.71Å; R65-G454 PolarHBondContact O-N 2.93Å; R65-G454 VanDerWaalsContact O-N 3.09Å; R65-L465 PolarHBondContact N-O 2.89Å
66L97.6Very high96.9Very high7 Ų742 Ų424%0.03726%0.255CS..BIsolated β-bridgetrans-122.6171.1167.570.5163.8000110A68 G84 E85 M455 T464L66-A68 PolarHBondContact O-N 3.44Å; L66-G84 VanDerWaalsContact O-CA 3.27Å; L66-G84 WeakPolarHBondContact O-CA 3.45Å; L66-E85 HydrophobicContact CD2-CG 3.55Å; L66-E85 WeakPolarHBondContact CD2-O 3.45Å; L66-E85 HydrophobicContact CG-CG 3.94Å; L66-E85 PolarHBondContact N-O 3.04Å; L66-E85 PolarHBondContact O-N 3.1Å; L66-E85 VanDerWaalsContact O-N 3.11Å; L66-M455 HydrophobicContact CB-CG 4.45Å; L66-M455 HydrophobicContact CD1-CB 4.1Å; L66-M455 HydrophobicContact CD1-CG 3.56Å; L66-M455 HydrophobicContact CD1-SD 3.97Å; L66-T464 HydrophobicContact CD2-CG2 3.77Å
67N97.7Very high96.9Very high48 Ų4838.9 Ų38.926%0.25724%0.242SC..SBendtrans56.123.3172.9-68.9-34.2000115.1E85 C121 A122 S439N67-E85 PolarHBondContact ND2-OE1 3.43Å; N67-C121 HydrophobicContact CB-CB 4.04Å; N67-A122 HydrophobicContact CB-CB 4.45Å; N67-A122 PolarHBondContact O-N 3.06Å; N67-S439 PolarHBondContact N-O 2.98Å; N67-S439 WeakPolarHBondContact OD1-CB 3.26Å; N67-S439 PolarHBondContact OD1-OG 2.9Å
68A98.3Very high96.8Very high14 Ų1437.2 Ų37.212%0.11623%0.229CC..  trans-89.4-174.2171.400000111.3L66 L81 F82 G83 M441L66-A68 PolarHBondContact O-N 3.44Å; A68-L81 HydrophobicContact CB-CD1 4.16Å; A68-F82 WeakPolarHBondContact CB-O 3.42Å; A68-G83 VanDerWaalsContact CB-O 3.24Å; A68-G83 WeakPolarHBondContact CB-O 3.42Å; A68-M441 HydrophobicContact CB-CG 4.22Å; A68-M441 HydrophobicContact CB-SD 3.33Å; A68-M441 WeakPolarHBondContact CB-SD 3.3Å; A68-M441 WeakPolarHBondContact O-CG 3.44Å
69S97.9Very high96.8Very high10 Ų1033 Ų337%0.0719%0.194CC..EExtended strand (participates in β ladder)trans-115.6126.7170.259.10000112.1L81 F82 H123 A125S69-L81 WeakPolarHBondContact O-CA 3.47Å; S69-F82 PolarHBondContact N-O 3.45Å; S69-F82 PolarHBondContact O-N 3Å; S69-F82 PolarHBondContact OG-O 2.97Å; S69-H123 WeakPolarHBondContact CB-NE2 3.32Å; S69-H123 PolarHBondContact OG-NE2 3.24Å; S69-H123 VanDerWaalsContact OG-NE2 3.08Å; S69-A125 WeakPolarHBondContact OG-CB 3.31Å
70L98.4Very high96.9Very high11 Ų1131.4 Ų31.46%0.05818%0.184CC..EExtended strand (participates in β ladder)trans-110.4122.3167.6-174.569.9000109.4L79 I80 L81 M441 T443L70-L79 HydrophobicContact CD1-CB 4Å; L70-L79 HydrophobicContact CD1-CD1 4.36Å; L70-I80 CarbonylContact C-O 3.58Å; L70-I80 WeakPolarHBondContact CA-O 3.34Å; L70-L81 HydrophobicContact CB-CD1 4.48Å; L70-L81 HydrophobicContact CD1-CB 4.24Å; L70-L81 HydrophobicContact CD1-CD1 4.35Å; L70-M441 HydrophobicContact CB-CB 3.54Å; L70-M441 HydrophobicContact CD2-CB 4.5Å; L70-T443 HydrophobicContact CD2-CG2 3.93Å; L70-T443 HydrophobicContact CG-CG2 3.83Å
71S97.9Very high97Very high13 Ų1326.6 Ų26.69%0.09115%0.152CC..EExtended strand (participates in β ladder)trans-132.3142.2-176.7-66.80000112H73 L79 I80S71-H73 PolarHBondContact O-N 3.06Å; S71-L79 CarbonylContact O-C 3.58Å; S71-L79 WeakPolarHBondContact O-CA 3.48Å; S71-I80 PolarHBondContact N-O 2.85Å; S71-I80 PolarHBondContact O-N 3.38Å
72A97.2Very high97.2Very high23 Ų2324.2 Ų24.219%0.1914%0.137CC..EExtended strand (participates in β ladder)trans-71.1125.8170.400000110.6T443 K445A72-T443 PolarHBondContact N-OG1 3.36Å; A72-K445 HydrophobicContact CB-CB 3.98Å; A72-K445 HydrophobicContact CB-CD 3.91Å; A72-K445 HydrophobicContact CB-CG 4.21Å
73H97.1Very high97.3Very high5 Ų524 Ų242%0.02314%0.136CC..  trans-60.1135.3170.7-170.1-58.8000109S71 D75 K76 E78 I80 K445S71-H73 PolarHBondContact O-N 3.06Å; H73-D75 PolarHBondContact ND1-N 3.34Å; H73-K76 HydrophobicContact CB-CB 4.46Å; H73-K76 PolarHBondContact ND1-N 3.03Å; H73-E78 HydrophobicContact CB-CB 4.03Å; H73-E78 WeakPolarHBondContact CB-O 3.26Å; H73-E78 PolarHBondContact N-O 2.88Å; H73-I80 HydrophobicContact CB-CD1 4.12Å; H73-I80 HydrophobicContact CB-CG1 4.16Å; H73-K445 PolarHBondContact O-NZ 2.84Å
74P95.2Very high97.4Very high36 Ų3622 Ų2223%0.23412%0.122CC..SBendtrans-66.7-45-174.922.6-30.7000112.4V127 P129 L161P74-V127 HydrophobicContact CB-CG1 3.87Å; P74-V127 HydrophobicContact CG-CG1 3.76Å; P74-P129 HydrophobicContact CB-CB 3.9Å; P74-L161 HydrophobicContact CG-CD1 4.09Å
75D93.1Very high97.5Very high98 Ų9822.4 Ų22.452%0.52412%0.122SC..SBendtrans-104.6-36.2-171.9-58.1-30.3000115.3H73H73-D75 PolarHBondContact ND1-N 3.34Å
76K95.4Very high97.4Very high96 Ų9623.9 Ų23.942%0.41713%0.128SC..SBendtrans-90.3159.4-178.9-61.3178.9-174.9170.80112.3H73 E78 K445H73-K76 HydrophobicContact CB-CB 4.46Å; H73-K76 PolarHBondContact ND1-N 3.03Å; K76-E78 HydrophobicContact CB-CB 4.39Å; K76-E78 HydrophobicContact CB-CG 4.38Å; K76-E78 WeakPolarHBondContact CD-OE2 2.93Å; K76-E78 PolarHBondContact O-N 3.46Å; K76-K445 WeakPolarHBondContact O-CE 3.5Å; K76-K445 PolarHBondContact O-NZ 3.03Å
77D96.6Very high97.2Very high43 Ų4326 Ų2623%0.2314%0.137CC..SBendtrans-77.653.1174.1-62-49.8000112.3L103 K104 Y446D77-L103 HydrophobicContact CB-CB 4.47Å; D77-L103 WeakPolarHBondContact O-CB 3.04Å; D77-L103 WeakPolarHBondContact O-CG 3.39Å; D77-L103 PolarHBondContact O-N 3.01Å; D77-K104 HydrophobicContact CB-CD 4.38Å; D77-K104 HydrophobicContact CB-CG 4.44Å; D77-K104 WeakPolarHBondContact OD2-CE 3.42Å; D77-K104 IonicContact OD2-NZ 2.62Å; D77-K104 PolarHBondContact OD2-NZ 3.21Å; D77-Y446 WeakPolarHBondContact OD1-CE2 3.36Å; D77-Y446 PolarHBondContact OD1-OH 3.06Å; D77-Y446 VanDerWaalsContact OD1-OH 3.11Å
78E97.4Very high96.9Very high35 Ų3524.3 Ų24.316%0.16413%0.128CC..EExtended strand (participates in β ladder)trans-131.7153-173.3-73.8162.7-178.300112.3H73 K76 Y101 K445H73-E78 HydrophobicContact CB-CB 4.03Å; H73-E78 WeakPolarHBondContact CB-O 3.26Å; H73-E78 PolarHBondContact N-O 2.88Å; K76-E78 HydrophobicContact CB-CB 4.39Å; K76-E78 HydrophobicContact CB-CG 4.38Å; K76-E78 WeakPolarHBondContact CD-OE2 2.93Å; K76-E78 PolarHBondContact O-N 3.46Å; E78-Y101 CarbonylContact C-O 3.57Å; E78-Y101 WeakPolarHBondContact CA-O 3.33Å; E78-K445 WeakPolarHBondContact O-CD 3.4Å; E78-K445 WeakPolarHBondContact O-CE 3.49Å
79L98.6Very high96.4Very high0 Ų024.3 Ų24.30%013%0.13CC..EExtended strand (participates in β ladder)trans-103.8152.3161.4-48179.3000109.1L70 S71 F100 Y101 L103 T443 K445 Y450L70-L79 HydrophobicContact CD1-CB 4Å; L70-L79 HydrophobicContact CD1-CD1 4.36Å; S71-L79 CarbonylContact O-C 3.58Å; S71-L79 WeakPolarHBondContact O-CA 3.48Å; L79-F100 CarbonylContact O-C 3.57Å; L79-F100 VanDerWaalsContact O-CA 3.29Å; L79-F100 WeakPolarHBondContact O-CA 3.42Å; L79-Y101 HydrophobicContact CD1-CD1 3.87Å; L79-Y101 HydrophobicContact CG-CD1 4.1Å; L79-Y101 PolarHBondContact N-O 3.14Å; L79-Y101 PolarHBondContact O-N 3.11Å; L79-L103 HydrophobicContact CD1-CD2 4.17Å; L79-L103 HydrophobicContact CD2-CD2 4.22Å; L79-L103 HydrophobicContact CG-CD2 3.85Å; L79-T443 HydrophobicContact CD1-CG2 4.38Å; L79-T443 HydrophobicContact CD2-CG2 3.8Å; L79-K445 HydrophobicContact CD2-CB 4.07Å; L79-K445 HydrophobicContact CD2-CD 3.86Å; L79-Y450 HydrophobicContact CD1-CD1 3.74Å; L79-Y450 HydrophobicContact CD1-CD2 3.96Å; L79-Y450 HydrophobicContact CD1-CE1 4.35Å; L79-Y450 HydrophobicContact CD1-CG 3.51Å; L79-Y450 HydrophobicContact CD2-CD2 4.16Å; L79-Y450 HydrophobicContact CD2-CE2 4.43Å
80I98.8Very high96Very high1 Ų127.5 Ų27.51%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-118.6120.8-178.2-47175.1000107.6L70 S71 H73 L98 F99 F100 L135 L161L70-I80 CarbonylContact C-O 3.58Å; L70-I80 WeakPolarHBondContact CA-O 3.34Å; S71-I80 PolarHBondContact N-O 2.85Å; S71-I80 PolarHBondContact O-N 3.38Å; H73-I80 HydrophobicContact CB-CD1 4.12Å; H73-I80 HydrophobicContact CB-CG1 4.16Å; I80-L98 HydrophobicContact CG2-CD1 3.55Å; I80-F99 WeakPolarHBondContact CA-O 3.42Å; I80-F100 HydrophobicContact CB-CE1 4.45Å; I80-F100 HydrophobicContact CD1-CE1 4.13Å; I80-F100 HydrophobicContact CG1-CD1 3.96Å; I80-F100 HydrophobicContact CG1-CE1 3.78Å; I80-F100 HydrophobicContact CG2-CD1 4.49Å; I80-F100 HydrophobicContact CG2-CE1 4.07Å; I80-F100 HydrophobicContact CG2-CZ 4.5Å; I80-L135 HydrophobicContact CG2-CD2 4.07Å; I80-L161 HydrophobicContact CD1-CD1 3.81Å; I80-L161 HydrophobicContact CD1-CD2 3.8Å; I80-L161 HydrophobicContact CD1-CG 4.5Å
81L98.8Very high95.7Very high0 Ų031.8 Ų31.80%016%0.16CC..EExtended strand (participates in β ladder)trans-113.2131.6175.1179.871.6000109.1P62 A68 S69 L70 F99 W108 M441 Y452P62-L81 HydrophobicContact CB-CD2 3.9Å; P62-L81 HydrophobicContact CG-CD2 3.66Å; A68-L81 HydrophobicContact CB-CD1 4.16Å; S69-L81 WeakPolarHBondContact O-CA 3.47Å; L70-L81 HydrophobicContact CB-CD1 4.48Å; L70-L81 HydrophobicContact CD1-CB 4.24Å; L70-L81 HydrophobicContact CD1-CD1 4.35Å; L81-F99 HydrophobicContact CB-CB 4.3Å; L81-F99 HydrophobicContact CD2-CD2 4.12Å; L81-F99 PolarHBondContact N-O 2.91Å; L81-F99 PolarHBondContact O-N 2.77Å; L81-W108 HydrophobicContact CB-CZ3 4.15Å; L81-W108 HydrophobicContact CD2-CH2 4.22Å; L81-W108 HydrophobicContact CD2-CZ3 4.16Å; L81-M441 HydrophobicContact CD1-SD 4.07Å; L81-Y452 HydrophobicContact CD1-CD1 3.9Å; L81-Y452 HydrophobicContact CD1-CE1 4.18Å; L81-Y452 HydrophobicContact CD2-CD1 4.01Å; L81-Y452 HydrophobicContact CD2-CE1 3.56Å
82F98.8Very high95.5Very high1 Ų132.1 Ų32.10%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-143132.3179.5179.2-94000112.5A68 S69 N96 D97 L98 P117 R120 H123 L137 W166A68-F82 WeakPolarHBondContact CB-O 3.42Å; S69-F82 PolarHBondContact N-O 3.45Å; S69-F82 PolarHBondContact O-N 3Å; S69-F82 PolarHBondContact OG-O 2.97Å; F82-N96 HydrophobicContact CE2-CB 4.49Å; F82-N96 VanDerWaalsContact CE2-O 3.31Å; F82-N96 WeakPolarHBondContact CE2-O 3.42Å; F82-N96 HydrophobicContact CZ-CB 4.31Å; F82-D97 WeakPolarHBondContact CA-O 3.46Å; F82-D97 WeakPolarHBondContact CD2-O 3.37Å; F82-L98 HydrophobicContact CB-CD1 4.24Å; F82-L98 HydrophobicContact CD2-CB 4.21Å; F82-L98 HydrophobicContact CD2-CD1 4.2Å; F82-P117 HydrophobicContact CE1-CG 4.3Å; F82-P117 HydrophobicContact CE2-CG 4.37Å; F82-P117 HydrophobicContact CZ-CB 4.01Å; F82-P117 HydrophobicContact CZ-CG 3.68Å; F82-R120 HydrophobicContact CE1-CG 4.31Å; F82-H123 AromaticContact CD1-CE1 3.98Å; F82-H123 AromaticContact CD1-NE2 3.8Å; F82-H123 PolarHBondContact O-CE1 2.67Å; F82-H123 PolarHBondContact O-NE2 3.15Å; F82-L137 HydrophobicContact CD1-CD1 4.33Å; F82-L137 HydrophobicContact CD1-CD2 4.17Å; F82-L137 HydrophobicContact CE1-CD1 4.36Å; F82-L137 HydrophobicContact CE1-CD2 3.55Å; F82-L137 HydrophobicContact CZ-CD2 4.16Å; F82-W166 HydrophobicContact CD2-CH2 4.37Å; F82-W166 AromaticContact CD2-CZ2 3.98Å; F82-W166 HydrophobicContact CD2-CZ2 3.98Å; F82-W166 HydrophobicContact CE2-CH2 4.24Å; F82-W166 AromaticContact CE2-CZ2 3.81Å; F82-W166 HydrophobicContact CE2-CZ2 3.81Å; F82-W166 HydrophobicContact CZ-CH2 4.49Å; F82-W166 HydrophobicContact CZ-CZ2 4.43Å
83G98.4Very high95.5Very high0 Ų035.8 Ų35.80%017%0.172CC..  trans71.6-147171.600000114.3R65 A68 Y95 D97R65-G83 PolarHBondContact NH1-O 3.35Å; A68-G83 VanDerWaalsContact CB-O 3.24Å; A68-G83 WeakPolarHBondContact CB-O 3.42Å; G83-Y95 WeakPolarHBondContact CA-O 3.14Å; G83-D97 PolarHBondContact N-O 3.14Å
84G98.3Very high95.5Very high0 Ų035.9 Ų35.90%017%0.173CC..  trans99.2-175.6-176.300000112.5L66 Y95 R120L66-G84 VanDerWaalsContact O-CA 3.27Å; L66-G84 WeakPolarHBondContact O-CA 3.45Å; G84-Y95 WeakPolarHBondContact O-CD2 3.32Å; G84-Y95 PolarHBondContact O-N 2.89Å; G84-R120 PolarHBondContact N-O 2.76Å
85E97.7Very high95.6Very high28 Ų2835.8 Ų35.813%0.13117%0.168CC..EExtended strand (participates in β ladder)trans-137.4170.1-178.673.5-159.9151.600112.5R65 L66 N67 Y93 L94 C121R65-E85 WeakPolarHBondContact CA-O 3.28Å; R65-E85 WeakPolarHBondContact CB-O 3.45Å; L66-E85 HydrophobicContact CD2-CG 3.55Å; L66-E85 WeakPolarHBondContact CD2-O 3.45Å; L66-E85 HydrophobicContact CG-CG 3.94Å; L66-E85 PolarHBondContact N-O 3.04Å; L66-E85 PolarHBondContact O-N 3.1Å; L66-E85 VanDerWaalsContact O-N 3.11Å; N67-E85 PolarHBondContact ND2-OE1 3.43Å; E85-Y93 CarbonylContact C-O 3.55Å; E85-Y93 WeakPolarHBondContact CA-O 3.44Å; E85-Y93 WeakPolarHBondContact CB-O 3.28Å; E85-L94 HydrophobicContact CB-CG 4.27Å; E85-C121 HydrophobicContact CB-CB 3.95Å; E85-C121 HydrophobicContact CG-CB 4.23Å; E85-C121 PolarHBondContact OE2-SG 3.05Å
86F96.3Very high95.8Very high32 Ų3231.9 Ų31.914%0.1415%0.147CC..EExtended strand (participates in β ladder)trans-149.6135.6174.5172.6-109.7000109.3P64 N88 T92 Y93 Y95 T464 Q490P64-F86 HydrophobicContact CB-CD2 3.73Å; P64-F86 HydrophobicContact CB-CE2 3.82Å; P64-F86 HydrophobicContact CG-CE2 4.43Å; F86-N88 HydrophobicContact CE1-CB 3.73Å; F86-N88 HydrophobicContact CZ-CB 4.13Å; F86-T92 WeakPolarHBondContact O-CA 3.23Å; F86-Y93 AromaticContact CD1-CD2 3.83Å; F86-Y93 HydrophobicContact CD1-CD2 3.83Å; F86-Y93 HydrophobicContact CD1-CE2 4.46Å; F86-Y93 PolarHBondContact N-O 3.36Å; F86-Y93 PolarHBondContact O-N 3.44Å; F86-Y95 HydrophobicContact CB-CE2 3.93Å; F86-Y95 WeakPolarHBondContact CB-OH 3.4Å; F86-T464 HydrophobicContact CD2-CG2 3.98Å; F86-Q490 HydrophobicContact CE2-CG 4.1Å; F86-Q490 HydrophobicContact CZ-CG 4.15Å
87F94.3Very high95.9Very high52 Ų5228.5 Ų28.523%0.22813%0.134CC..EExtended strand (participates in β ladder)trans-119.2133.8174.5-179.7-117.4000109.3G89 K91 T92 W492F87-G89 VanDerWaalsContact CE1-CA 3.44Å; F87-G89 VanDerWaalsContact CZ-CA 3.47Å; F87-G89 WeakPolarHBondContact CZ-O 3.28Å; F87-K91 WeakPolarHBondContact CD2-O 3.31Å; F87-T92 WeakPolarHBondContact CD2-OG1 3.42Å; F87-W492 HydrophobicContact CD1-CH2 4.1Å; F87-W492 HydrophobicContact CD1-CZ3 4.09Å; F87-W492 AromaticContact CE1-CH2 3.79Å; F87-W492 HydrophobicContact CE1-CH2 3.79Å; F87-W492 HydrophobicContact CE1-CZ3 4.19Å
88N90.7Very high96Very high12 Ų1226.7 Ų26.76%0.06412%0.124CC..  trans-111.917.3-177.274-13000113.9F86 K90 K91 L493F86-N88 HydrophobicContact CE1-CB 3.73Å; F86-N88 HydrophobicContact CZ-CB 4.13Å; N88-K90 PolarHBondContact OD1-N 2.96Å; N88-K91 PolarHBondContact N-O 3.47Å; N88-K91 PolarHBondContact OD1-N 3.4Å; N88-K91 PolarHBondContact OD1-O 3.01Å; N88-L493 WeakPolarHBondContact ND2-CD1 3.39Å; N88-L493 PolarHBondContact O-N 3.43Å
89G88.6Confident96.1Very high15 Ų1525.5 Ų25.516%0.15512%0.118CC..SBendtrans98-28.2-176.300000113.8F87 W492 L493F87-G89 VanDerWaalsContact CE1-CA 3.44Å; F87-G89 VanDerWaalsContact CZ-CA 3.47Å; F87-G89 WeakPolarHBondContact CZ-O 3.28Å; G89-W492 VanDerWaalsContact CA-CH2 3.47Å; G89-L493 CarbonylContact C-O 3.58Å
90K89.3Confident96.1Very high77 Ų7726.2 Ų26.234%0.33512%0.121SC..SBendtrans-124.5-36.9-179.5-170.4173.4-175.7173.50113.8N88 L493 D498N88-K90 PolarHBondContact OD1-N 2.96Å; K90-L493 HydrophobicContact CB-CB 4.02Å; K90-L493 HydrophobicContact CB-CD1 4.22Å; K90-D498 IonicContact NZ-OD1 2.97Å; K90-D498 IonicContact NZ-OD2 2.97Å; K90-D498 PolarHBondContact NZ-OD2 3.04Å
91K91.9Very high96.1Very high100 Ų10026.3 Ų26.344%0.43512%0.121SC..  trans-127.4137-174.1-69.7179.3-177.3170.60112.3F87 N88 Y93 P145F87-K91 WeakPolarHBondContact CD2-O 3.31Å; N88-K91 PolarHBondContact N-O 3.47Å; N88-K91 PolarHBondContact OD1-N 3.4Å; N88-K91 PolarHBondContact OD1-O 3.01Å; K91-Y93 HydrophobicContact CB-CE2 3.76Å; K91-P145 CarbonylContact C-O 3.58Å; K91-P145 WeakPolarHBondContact CA-O 3.46Å
92T94.3Very high96.1Very high21 Ų2127.7 Ų27.713%0.12913%0.129CC..EExtended strand (participates in β ladder)trans-94.9124170.8-57.80000110.1F86 F87 L94 A143 P145F86-T92 WeakPolarHBondContact O-CA 3.23Å; F87-T92 WeakPolarHBondContact CD2-OG1 3.42Å; T92-L94 HydrophobicContact CG2-CD1 4.06Å; T92-A143 HydrophobicContact CG2-CB 4.15Å; T92-P145 PolarHBondContact N-O 3.23Å
93Y95.4Very high96Very high99 Ų9929.3 Ų29.339%0.38814%0.137SC..EExtended strand (participates in β ladder)trans-108.8128177.8-60.7-92.1000109.6E85 F86 K91E85-Y93 CarbonylContact C-O 3.55Å; E85-Y93 WeakPolarHBondContact CA-O 3.44Å; E85-Y93 WeakPolarHBondContact CB-O 3.28Å; F86-Y93 AromaticContact CD1-CD2 3.83Å; F86-Y93 HydrophobicContact CD1-CD2 3.83Å; F86-Y93 HydrophobicContact CD1-CE2 4.46Å; F86-Y93 PolarHBondContact N-O 3.36Å; F86-Y93 PolarHBondContact O-N 3.44Å; K91-Y93 HydrophobicContact CB-CE2 3.76Å
94L97.3Very high95.8Very high8 Ų837.1 Ų37.14%0.04217%0.171CC..EExtended strand (participates in β ladder)trans-111.5144.4174-67.398.8000112.2E85 T92 R119 C121 E141 F142 A143E85-L94 HydrophobicContact CB-CG 4.27Å; T92-L94 HydrophobicContact CG2-CD1 4.06Å; L94-R119 HydrophobicContact CB-CB 3.99Å; L94-R119 WeakPolarHBondContact O-CD 3.3Å; L94-R119 PolarHBondContact O-NH1 2.85Å; L94-C121 HydrophobicContact CD2-CB 4.19Å; L94-E141 WeakPolarHBondContact CD2-O 3.44Å; L94-F142 HydrophobicContact CB-CD2 4.2Å; L94-F142 HydrophobicContact CB-CE2 4.27Å; L94-F142 HydrophobicContact CD1-CD2 4.13Å; L94-F142 HydrophobicContact CD1-CE2 4.15Å; L94-F142 HydrophobicContact CD2-CD2 4.25Å; L94-F142 HydrophobicContact CG-CD2 4.45Å; L94-A143 HydrophobicContact CD1-CB 4.01Å; L94-A143 VanDerWaalsContact CD1-O 3.3Å; L94-A143 WeakPolarHBondContact CD1-O 3.4Å
95Y97.9Very high95.7Very high33 Ų3344.6 Ų44.613%0.12920%0.204CC..  trans-111.3151.1-174.5-49.8-59.8000112.4S63 R65 G83 G84 F86 D97 R119 R120S63-Y95 PolarHBondContact OG-OH 2.81Å; R65-Y95 HydrophobicContact CB-CD2 4.27Å; R65-Y95 HydrophobicContact CB-CE2 4.02Å; G83-Y95 WeakPolarHBondContact CA-O 3.14Å; G84-Y95 WeakPolarHBondContact O-CD2 3.32Å; G84-Y95 PolarHBondContact O-N 2.89Å; F86-Y95 HydrophobicContact CB-CE2 3.93Å; F86-Y95 WeakPolarHBondContact CB-OH 3.4Å; Y95-D97 WeakPolarHBondContact CB-OD1 3.11Å; Y95-R119 WeakPolarHBondContact O-CA 3.23Å; Y95-R120 PolarHBondContact O-N 3.15Å
96N97.6Very high95.6Very high16 Ų1647 Ų479%0.08622%0.218CC..  trans-131.718.3163.765.3-17.1000111.8D48 F82 P117 R119D48-N96 PolarHBondContact OD2-ND2 2.81Å; F82-N96 HydrophobicContact CE2-CB 4.49Å; F82-N96 VanDerWaalsContact CE2-O 3.31Å; F82-N96 WeakPolarHBondContact CE2-O 3.42Å; F82-N96 HydrophobicContact CZ-CB 4.31Å; N96-P117 WeakPolarHBondContact CB-O 3.45Å; N96-P117 PolarHBondContact ND2-O 2.77Å; N96-R119 HydrophobicContact CB-CG 4.1Å
97D97.9Very high95.7Very high26 Ų2648.5 Ų48.514%0.13923%0.23CC..  trans-70.4149176.151.49000110.6R65 F82 G83 Y95 F99R65-D97 IonicContact CZ-OD1 3.83Å; R65-D97 IonicContact CZ-OD2 3.07Å; R65-D97 IonicContact NH1-OD1 3.3Å; R65-D97 PolarHBondContact NH1-OD1 2.75Å; R65-D97 IonicContact NH1-OD2 2.82Å; R65-D97 PolarHBondContact NH1-OD2 2.92Å; R65-D97 IonicContact NH2-OD1 3.37Å; R65-D97 IonicContact NH2-OD2 2.81Å; R65-D97 PolarHBondContact NH2-OD2 3.16Å; F82-D97 WeakPolarHBondContact CA-O 3.46Å; F82-D97 WeakPolarHBondContact CD2-O 3.37Å; G83-D97 PolarHBondContact N-O 3.14Å; Y95-D97 WeakPolarHBondContact CB-OD1 3.11Å; D97-F99 HydrophobicContact CB-CD2 4.47Å; D97-F99 HydrophobicContact CB-CE2 3.7Å; D97-F99 HydrophobicContact CB-CZ 3.94Å; D97-F99 WeakPolarHBondContact OD2-CE2 3.37Å; D97-F99 WeakPolarHBondContact OD2-CZ 3.31Å
98L98.7Very high95.9Very high4 Ų446.5 Ų46.52%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-119.5124.1179.6176.667.9000108.2I80 F82 F100 S111 I113 L159I80-L98 HydrophobicContact CG2-CD1 3.55Å; F82-L98 HydrophobicContact CB-CD1 4.24Å; F82-L98 HydrophobicContact CD2-CB 4.21Å; F82-L98 HydrophobicContact CD2-CD1 4.2Å; L98-F100 HydrophobicContact CD1-CE2 4.48Å; L98-F100 HydrophobicContact CD1-CZ 4.42Å; L98-F100 HydrophobicContact CD2-CE2 3.72Å; L98-F100 HydrophobicContact CD2-CZ 3.93Å; L98-F100 HydrophobicContact CG-CE2 3.84Å; L98-F100 HydrophobicContact CG-CZ 4.2Å; L98-S111 PolarHBondContact O-N 2.67Å; L98-I113 HydrophobicContact CD2-CD1 3.59Å; L98-I113 HydrophobicContact CD2-CG1 4.3Å; L98-L159 HydrophobicContact CD1-CD2 4.28Å; L98-L159 HydrophobicContact CD2-CD2 3.62Å
99F98.8Very high96.3Very high11 Ų1147.8 Ų47.85%0.04823%0.229CC..EExtended strand (participates in β ladder)trans-122.1145.7176.5-54.7-91.5000111.8P62 I80 L81 D97 W108 V109 K110P62-F99 HydrophobicContact CB-CD1 4.44Å; P62-F99 HydrophobicContact CB-CD2 3.95Å; P62-F99 HydrophobicContact CB-CE1 4.23Å; P62-F99 HydrophobicContact CB-CE2 3.68Å; P62-F99 HydrophobicContact CB-CG 4.31Å; P62-F99 HydrophobicContact CB-CZ 3.84Å; P62-F99 HydrophobicContact CG-CB 4.18Å; P62-F99 HydrophobicContact CG-CD1 3.89Å; P62-F99 HydrophobicContact CG-CD2 3.76Å; P62-F99 HydrophobicContact CG-CE1 4.14Å; P62-F99 HydrophobicContact CG-CE2 3.99Å; P62-F99 HydrophobicContact CG-CG 3.69Å; P62-F99 HydrophobicContact CG-CZ 4.19Å; I80-F99 WeakPolarHBondContact CA-O 3.42Å; L81-F99 HydrophobicContact CB-CB 4.3Å; L81-F99 HydrophobicContact CD2-CD2 4.12Å; L81-F99 PolarHBondContact N-O 2.91Å; L81-F99 PolarHBondContact O-N 2.77Å; D97-F99 HydrophobicContact CB-CD2 4.47Å; D97-F99 HydrophobicContact CB-CE2 3.7Å; D97-F99 HydrophobicContact CB-CZ 3.94Å; D97-F99 WeakPolarHBondContact OD2-CE2 3.37Å; D97-F99 WeakPolarHBondContact OD2-CZ 3.31Å; F99-W108 HydrophobicContact CB-CE3 3.79Å; F99-W108 HydrophobicContact CB-CZ3 3.91Å; F99-V109 CarbonylContact C-O 3.59Å; F99-V109 VanDerWaalsContact CA-O 3.31Å; F99-V109 WeakPolarHBondContact CA-O 3.11Å; F99-K110 HydrophobicContact CD1-CB 3.76Å; F99-K110 HydrophobicContact CD1-CG 4.1Å; F99-K110 HydrophobicContact CE1-CB 3.71Å; F99-K110 HydrophobicContact CE1-CD 4.04Å; F99-K110 HydrophobicContact CE1-CG 3.78Å; F99-K110 HydrophobicContact CZ-CD 4.46Å; F99-K110 HydrophobicContact CZ-CG 4.42Å
100F98.6Very high96.7Very high14 Ų1450.4 Ų50.46%0.06124%0.236CC..EExtended strand (participates in β ladder)trans-114.9124.4169.8-64.1-87.1000109.3L79 I80 L98 W108 V109 L161L79-F100 CarbonylContact O-C 3.57Å; L79-F100 VanDerWaalsContact O-CA 3.29Å; L79-F100 WeakPolarHBondContact O-CA 3.42Å; I80-F100 HydrophobicContact CB-CE1 4.45Å; I80-F100 HydrophobicContact CD1-CE1 4.13Å; I80-F100 HydrophobicContact CG1-CD1 3.96Å; I80-F100 HydrophobicContact CG1-CE1 3.78Å; I80-F100 HydrophobicContact CG2-CD1 4.49Å; I80-F100 HydrophobicContact CG2-CE1 4.07Å; I80-F100 HydrophobicContact CG2-CZ 4.5Å; L98-F100 HydrophobicContact CD1-CE2 4.48Å; L98-F100 HydrophobicContact CD1-CZ 4.42Å; L98-F100 HydrophobicContact CD2-CE2 3.72Å; L98-F100 HydrophobicContact CD2-CZ 3.93Å; L98-F100 HydrophobicContact CG-CE2 3.84Å; L98-F100 HydrophobicContact CG-CZ 4.2Å; F100-W108 WeakPolarHBondContact O-CA 3.43Å; F100-V109 PolarHBondContact N-O 2.75Å; F100-V109 PolarHBondContact O-N 3.17Å; F100-L161 HydrophobicContact CE1-CD2 4.21Å; F100-L161 HydrophobicContact CZ-CD2 4.3Å
101Y98.6Very high97.2Very high4 Ų446.9 Ų46.92%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-100.7117.1173.7175.3-113.6000109.8E78 L79 L103 N106 W108 L468 L482E78-Y101 CarbonylContact C-O 3.57Å; E78-Y101 WeakPolarHBondContact CA-O 3.33Å; L79-Y101 HydrophobicContact CD1-CD1 3.87Å; L79-Y101 HydrophobicContact CG-CD1 4.1Å; L79-Y101 PolarHBondContact N-O 3.14Å; L79-Y101 PolarHBondContact O-N 3.11Å; Y101-L103 HydrophobicContact CD1-CD2 3.73Å; Y101-L103 HydrophobicContact CE1-CD2 3.63Å; Y101-L103 PolarHBondContact O-N 2.53Å; Y101-N106 VanDerWaalsContact CE2-OD1 3.25Å; Y101-N106 WeakPolarHBondContact CE2-OD1 3.2Å; Y101-N106 PolarHBondContact OH-OD1 3.37Å; Y101-W108 AromaticContact CD2-CD1 3.88Å; Y101-W108 AromaticContact CD2-CD2 3.77Å; Y101-W108 HydrophobicContact CD2-CD2 3.77Å; Y101-W108 AromaticContact CD2-CE2 3.5Å; Y101-W108 HydrophobicContact CD2-CE3 4.43Å; Y101-W108 HydrophobicContact CD2-CG 4.05Å; Y101-W108 HydrophobicContact CD2-CZ2 4.01Å; Y101-W108 AromaticContact CD2-NE1 3.53Å; Y101-W108 AromaticContact CE2-NE1 3.95Å; Y101-W108 HydrophobicContact CG-CD2 4.24Å; Y101-W108 HydrophobicContact CG-CE3 4.48Å; Y101-W108 HydrophobicContact CG-CH2 4.38Å; Y101-W108 HydrophobicContact CG-CZ2 4.11Å; Y101-L468 HydrophobicContact CD1-CD2 4.15Å; Y101-L468 HydrophobicContact CD2-CD2 4.36Å; Y101-L468 HydrophobicContact CE1-CD2 3.85Å; Y101-L468 HydrophobicContact CE2-CD2 4.08Å; Y101-L468 HydrophobicContact CG-CD2 4.4Å; Y101-L482 HydrophobicContact CE1-CD1 4.18Å
102N98.1Very high97.4Very high29 Ų2943.8 Ų43.816%0.15521%0.209CC..EExtended strand (participates in β ladder)trans-83.5113.9179.8-169.8-73.3000111.1K104 K105 N106 T107N102-K104 VanDerWaalsContact C-N 3.27Å; N102-K104 PolarHBondContact O-N 3.12Å; N102-K104 PolarHBondContact OD1-N 2.76Å; N102-K104 VanDerWaalsContact OD1-N 3.09Å; N102-K105 HydrophobicContact CB-CB 4.25Å; N102-K105 PolarHBondContact O-N 2.86Å; N102-K105 PolarHBondContact OD1-N 2.83Å; N102-N106 WeakPolarHBondContact O-CA 3.42Å; N102-N106 PolarHBondContact O-N 2.97Å; N102-T107 PolarHBondContact N-O 2.98Å
103L97.1Very high97.6Very high35 Ų3543.1 Ų43.118%0.18320%0.204CC..THydrogen-bonded Turntrans-65-28.3-175-64.1-173.7000114D77 L79 Y101 K445 Y446 Y450D77-L103 HydrophobicContact CB-CB 4.47Å; D77-L103 WeakPolarHBondContact O-CB 3.04Å; D77-L103 WeakPolarHBondContact O-CG 3.39Å; D77-L103 PolarHBondContact O-N 3.01Å; L79-L103 HydrophobicContact CD1-CD2 4.17Å; L79-L103 HydrophobicContact CD2-CD2 4.22Å; L79-L103 HydrophobicContact CG-CD2 3.85Å; Y101-L103 HydrophobicContact CD1-CD2 3.73Å; Y101-L103 HydrophobicContact CE1-CD2 3.63Å; Y101-L103 PolarHBondContact O-N 2.53Å; L103-K445 HydrophobicContact CD1-CB 4.36Å; L103-K445 HydrophobicContact CD1-CD 3.63Å; L103-K445 HydrophobicContact CD1-CG 3.92Å; L103-Y446 HydrophobicContact CD1-CD2 4.24Å; L103-Y446 HydrophobicContact CD1-CE2 4.36Å; L103-Y450 HydrophobicContact CD2-CD1 4.49Å; L103-Y450 HydrophobicContact CD2-CE1 3.67Å; L103-Y450 HydrophobicContact CD2-CE2 4.2Å; L103-Y450 WeakPolarHBondContact CD2-OH 3.36Å
104K95.4Very high97.6Very high164 Ų16439.5 Ų39.571%0.71319%0.193SC*.THydrogen-bonded Turntrans-85.4-35.2-176.5-73.8175.4168163.80112.2D77 N102D77-K104 HydrophobicContact CB-CD 4.38Å; D77-K104 HydrophobicContact CB-CG 4.44Å; D77-K104 WeakPolarHBondContact OD2-CE 3.42Å; D77-K104 IonicContact OD2-NZ 2.62Å; D77-K104 PolarHBondContact OD2-NZ 3.21Å; N102-K104 VanDerWaalsContact C-N 3.27Å; N102-K104 PolarHBondContact O-N 3.12Å; N102-K104 PolarHBondContact OD1-N 2.76Å; N102-K104 VanDerWaalsContact OD1-N 3.09Å
105K95.8Very high97.5Very high156 Ų15643.8 Ų43.868%0.67822%0.216SC*.THydrogen-bonded Turntrans-94-16.4-176.5-64.5179.7-179.4178.50112.8N102 T107N102-K105 HydrophobicContact CB-CB 4.25Å; N102-K105 PolarHBondContact O-N 2.86Å; N102-K105 PolarHBondContact OD1-N 2.83Å; K105-T107 VanDerWaalsContact C-N 3.35Å; K105-T107 HydrophobicContact CB-CG2 4.05Å; K105-T107 WeakPolarHBondContact CB-OG1 3.47Å
106N95.9Very high97.4Very high80 Ų8043.1 Ų43.143%0.42822%0.216SC..THydrogen-bonded Turntrans52.953-169.5-172.115.6000111.1Y101 N102Y101-N106 VanDerWaalsContact CE2-OD1 3.25Å; Y101-N106 WeakPolarHBondContact CE2-OD1 3.2Å; Y101-N106 PolarHBondContact OH-OD1 3.37Å; N102-N106 WeakPolarHBondContact O-CA 3.42Å; N102-N106 PolarHBondContact O-N 2.97Å
107T97.6Very high97.5Very high63 Ų6342.3 Ų42.339%0.38721%0.212SC..EExtended strand (participates in β ladder)trans-137.3146-176.956.90000111N102 K105N102-T107 PolarHBondContact N-O 2.98Å; K105-T107 VanDerWaalsContact C-N 3.35Å; K105-T107 HydrophobicContact CB-CG2 4.05Å; K105-T107 WeakPolarHBondContact CB-OG1 3.47Å
108W98.5Very high97.5Very high9 Ų941.3 Ų41.33%0.03421%0.207CC..EExtended strand (participates in β ladder)trans-99.2144.5175.1-6892.8000111.9C59 P62 L81 F99 F100 Y101 Y452 L468C59-W108 PolarHBondContact N-O 3.03Å; C59-W108 VanDerWaalsContact N-O 3.1Å; P62-W108 HydrophobicContact CG-CD2 4.08Å; P62-W108 HydrophobicContact CG-CE3 3.75Å; P62-W108 HydrophobicContact CG-CH2 4.09Å; P62-W108 HydrophobicContact CG-CZ2 4.4Å; P62-W108 HydrophobicContact CG-CZ3 3.75Å; L81-W108 HydrophobicContact CB-CZ3 4.15Å; L81-W108 HydrophobicContact CD2-CH2 4.22Å; L81-W108 HydrophobicContact CD2-CZ3 4.16Å; F99-W108 HydrophobicContact CB-CE3 3.79Å; F99-W108 HydrophobicContact CB-CZ3 3.91Å; F100-W108 WeakPolarHBondContact O-CA 3.43Å; Y101-W108 AromaticContact CD2-CD1 3.88Å; Y101-W108 AromaticContact CD2-CD2 3.77Å; Y101-W108 HydrophobicContact CD2-CD2 3.77Å; Y101-W108 AromaticContact CD2-CE2 3.5Å; Y101-W108 HydrophobicContact CD2-CE3 4.43Å; Y101-W108 HydrophobicContact CD2-CG 4.05Å; Y101-W108 HydrophobicContact CD2-CZ2 4.01Å; Y101-W108 AromaticContact CD2-NE1 3.53Å; Y101-W108 AromaticContact CE2-NE1 3.95Å; Y101-W108 HydrophobicContact CG-CD2 4.24Å; Y101-W108 HydrophobicContact CG-CE3 4.48Å; Y101-W108 HydrophobicContact CG-CH2 4.38Å; Y101-W108 HydrophobicContact CG-CZ2 4.11Å; W108-Y452 HydrophobicContact CH2-CD2 4.49Å; W108-Y452 HydrophobicContact CH2-CE2 4.41Å; W108-Y452 HydrophobicContact CZ2-CD2 4.34Å; W108-Y452 HydrophobicContact CZ2-CE2 4.17Å; W108-L468 HydrophobicContact CZ2-CD2 3.95Å
109V98.5Very high97.4Very high40 Ų4044.4 Ų44.424%0.24222%0.218CC..EExtended strand (participates in β ladder)trans-128.9124.6170.8175.60000108.1E56 T57 F99 F100E56-V109 HydrophobicContact CB-CG1 3.86Å; E56-V109 HydrophobicContact CG-CG1 4.32Å; T57-V109 WeakPolarHBondContact O-CA 3.4Å; F99-V109 CarbonylContact C-O 3.59Å; F99-V109 VanDerWaalsContact CA-O 3.31Å; F99-V109 WeakPolarHBondContact CA-O 3.11Å; F100-V109 PolarHBondContact N-O 2.75Å; F100-V109 PolarHBondContact O-N 3.17Å
110K98.6Very high97.4Very high70 Ų7043.9 Ų43.930%0.30422%0.216SC..EExtended strand (participates in β ladder)trans-83.4129.8167.2-175.5179174.5-179.40108.9E56 T57 C59 F99E56-K110 CarbonylContact C-O 3.52Å; E56-K110 WeakPolarHBondContact CA-O 3.11Å; T57-K110 PolarHBondContact N-O 3.15Å; T57-K110 PolarHBondContact O-N 3.37Å; C59-K110 HydrophobicContact CB-CB 4.44Å; C59-K110 PolarHBondContact SG-N 2.97Å; F99-K110 HydrophobicContact CD1-CB 3.76Å; F99-K110 HydrophobicContact CD1-CG 4.1Å; F99-K110 HydrophobicContact CE1-CB 3.71Å; F99-K110 HydrophobicContact CE1-CD 4.04Å; F99-K110 HydrophobicContact CE1-CG 3.78Å; F99-K110 HydrophobicContact CZ-CD 4.46Å; F99-K110 HydrophobicContact CZ-CG 4.42Å
111S98.1Very high97.4Very high3 Ų343.2 Ų43.22%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-116.1107.3178.7-168.90000110V55 L98 I113V55-S111 WeakPolarHBondContact O-CA 3.44Å; L98-S111 PolarHBondContact O-N 2.67Å; S111-I113 PolarHBondContact O-N 3.02Å
112D97.3Very high97.3Very high34 Ų3443.7 Ų43.718%0.18222%0.218CC..EExtended strand (participates in β ladder)trans-8694.9172.6-77.1-76.5000108.7K51 V54 V55K51-D112 IonicContact NZ-OD1 3.3Å; K51-D112 PolarHBondContact NZ-OD1 3.09Å; V54-D112 WeakPolarHBondContact CA-O 3.19Å; V55-D112 HydrophobicContact CB-CB 4.37Å; V55-D112 PolarHBondContact N-O 2.92Å; V55-D112 PolarHBondContact O-N 2.92Å
113I97.5Very high97.4Very high7 Ų742.8 Ų42.84%0.03621%0.212CC..  trans-94.6132.1176.4-60.5178.4000109.4V54 L98 S111 P116 L159 N164 W166V54-I113 HydrophobicContact CG1-CG1 4.25Å; V54-I113 HydrophobicContact CG2-CG1 4.49Å; V54-I113 HydrophobicContact CG2-CG2 4.46Å; L98-I113 HydrophobicContact CD2-CD1 3.59Å; L98-I113 HydrophobicContact CD2-CG1 4.3Å; S111-I113 PolarHBondContact O-N 3.02Å; I113-P116 WeakPolarHBondContact O-CD 3.24Å; I113-L159 HydrophobicContact CD1-CD1 3.58Å; I113-L159 HydrophobicContact CD1-CD2 4.42Å; I113-N164 HydrophobicContact CD1-CB 3.82Å; I113-N164 HydrophobicContact CG1-CB 4.33Å; I113-N164 WeakPolarHBondContact CG2-O 3.44Å; I113-W166 HydrophobicContact CG2-CG 4.41Å
114P96.6Very high97.4Very high23 Ų2342.1 Ų42.115%0.14921%0.208CC..SBendtrans-55.2147.1177.4-29.837.7000114.3K51 T52K51-P114 VanDerWaalsContact O-CB 3.31Å; K51-P114 WeakPolarHBondContact O-CB 3.5Å; T52-P114 VanDerWaalsContact C-CG 3.46Å
115N94.1Very high97.5Very high99 Ų9934.5 Ų34.553%0.52918%0.176SC..SBendtrans54.351.4178-50.5-62.7000114.2W166N115-W166 WeakPolarHBondContact O-CB 3.47Å
116P97.1Very high97.6Very high18 Ų1827.8 Ų27.812%0.11715%0.148CC..PPolyproline II helixtrans-66.4163.6177.633.1-36.6000111.4D48 I113D48-P116 HydrophobicContact CB-CG 4.07Å; I113-P116 WeakPolarHBondContact O-CD 3.24Å
117P97.8Very high97.7Very high0 Ų025.5 Ų25.50%014%0.137CC..PPolyproline II helixtrans-56.5146.6163.9-12.325000109.7F82 N96 L137 W157 W166F82-P117 HydrophobicContact CE1-CG 4.3Å; F82-P117 HydrophobicContact CE2-CG 4.37Å; F82-P117 HydrophobicContact CZ-CB 4.01Å; F82-P117 HydrophobicContact CZ-CG 3.68Å; N96-P117 WeakPolarHBondContact CB-O 3.45Å; N96-P117 PolarHBondContact ND2-O 2.77Å; P117-L137 HydrophobicContact CB-CD2 3.77Å; P117-L137 HydrophobicContact CG-CD2 3.48Å; P117-L137 VanDerWaalsContact CG-CD2 3.48Å; P117-W157 HydrophobicContact CB-CD2 4.04Å; P117-W157 HydrophobicContact CB-CG 4.07Å; P117-W157 HydrophobicContact CG-CB 4.2Å; P117-W157 HydrophobicContact CG-CD2 4Å; P117-W157 HydrophobicContact CG-CE3 4.29Å; P117-W157 HydrophobicContact CG-CG 3.96Å; P117-W166 HydrophobicContact CG-CD2 4.14Å; P117-W166 HydrophobicContact CG-CE3 3.78Å; P117-W166 HydrophobicContact CG-CH2 3.9Å; P117-W166 HydrophobicContact CG-CZ2 4.24Å; P117-W166 HydrophobicContact CG-CZ3 3.65Å
118P97.8Very high97.6Very high5 Ų522.5 Ų22.53%0.03212%0.118CC..PPolyproline II helixtrans-50.6153168.1-32.434.9000113.7I41 Q45 R120 Y153I41-P118 HydrophobicContact CG2-CB 4.1Å; I41-P118 HydrophobicContact CG2-CG 4.27Å; Q45-P118 HydrophobicContact CG-CG 3.98Å; Q45-P118 VanDerWaalsContact NE2-CG 3.27Å; P118-R120 VanDerWaalsContact CD-NH2 3.34Å; P118-R120 WeakPolarHBondContact O-CG 3.33Å; P118-R120 PolarHBondContact O-N 3Å; P118-R120 PolarHBondContact O-NE 3.48Å; P118-Y153 HydrophobicContact CB-CE1 3.93Å; P118-Y153 WeakPolarHBondContact CB-OH 3.45Å; P118-Y153 HydrophobicContact CG-CE1 4.25Å
119R97.9Very high97.3Very high69 Ų6926 Ų2626%0.2614%0.142SC..SBendtrans-46.8129.5172.3-65.4172-177.6-79.9-3.8110.5L94 Y95 N96 F142 Y153L94-R119 HydrophobicContact CB-CB 3.99Å; L94-R119 WeakPolarHBondContact O-CD 3.3Å; L94-R119 PolarHBondContact O-NH1 2.85Å; Y95-R119 WeakPolarHBondContact O-CA 3.23Å; N96-R119 HydrophobicContact CB-CG 4.1Å; R119-F142 HydrophobicContact CB-CD2 3.93Å; R119-F142 HydrophobicContact CB-CE2 4.01Å; R119-Y153 WeakPolarHBondContact O-CE2 3.24Å; R119-Y153 PolarHBondContact O-OH 2.83Å
120R98.3Very high96.8Very high0 Ų028 Ų280%015%0.149CC..  trans-161.7153-175.463-175.674-157.1-3.7113.6F82 G84 Y95 P118 H123 G139 E141 Y153 D155F82-R120 HydrophobicContact CE1-CG 4.31Å; G84-R120 PolarHBondContact N-O 2.76Å; Y95-R120 PolarHBondContact O-N 3.15Å; P118-R120 VanDerWaalsContact CD-NH2 3.34Å; P118-R120 WeakPolarHBondContact O-CG 3.33Å; P118-R120 PolarHBondContact O-N 3Å; P118-R120 PolarHBondContact O-NE 3.48Å; R120-H123 HydrophobicContact CG-CB 4.46Å; R120-G139 PolarHBondContact NH1-O 2.75Å; R120-E141 WeakPolarHBondContact CA-O 3.44Å; R120-Y153 HydrophobicContact CB-CD2 3.99Å; R120-Y153 HydrophobicContact CB-CE2 3.79Å; R120-D155 IonicContact CZ-OD1 3.7Å; R120-D155 IonicContact CZ-OD2 3.64Å; R120-D155 IonicContact NH1-OD1 2.64Å; R120-D155 PolarHBondContact NH1-OD1 2.91Å; R120-D155 IonicContact NH1-OD2 2.83Å; R120-D155 IonicContact NH2-OD1 3.48Å; R120-D155 PolarHBondContact NH2-OD1 3.09Å; R120-D155 IonicContact NH2-OD2 2.7Å; R120-D155 PolarHBondContact NH2-OD2 3Å
121C98.2Very high96.2Very high0 Ų028.3 Ų28.30%016%0.164CC..BIsolated β-bridgetrans-126.7174.1167.865.50000109.8N67 E85 L94 H123 G140 E141N67-C121 HydrophobicContact CB-CB 4.04Å; E85-C121 HydrophobicContact CB-CB 3.95Å; E85-C121 HydrophobicContact CG-CB 4.23Å; E85-C121 PolarHBondContact OE2-SG 3.05Å; L94-C121 HydrophobicContact CD2-CB 4.19Å; C121-H123 PolarHBondContact O-N 2.84Å; C121-G140 CarbonylContact O-C 3.46Å; C121-G140 WeakPolarHBondContact O-CA 3.19Å; C121-E141 PolarHBondContact N-O 3.27Å; C121-E141 VanDerWaalsContact N-O 3.12Å; C121-E141 PolarHBondContact O-N 2.98Å
122A98Very high95.7Very high14 Ų1429.7 Ų29.712%0.11618%0.18CC..SBendtrans53.124.4175.500000113.9N67 G180N67-A122 HydrophobicContact CB-CB 4.45Å; N67-A122 PolarHBondContact O-N 3.06Å; A122-G180 PolarHBondContact O-N 2.75Å
123H98.4Very high95.6Very high9 Ų928.1 Ų28.14%0.04217%0.171CC..  trans-81.3168.7170.460.1-95.9000110.4S69 F82 R120 C121 L137 G139S69-H123 WeakPolarHBondContact CB-NE2 3.32Å; S69-H123 PolarHBondContact OG-NE2 3.24Å; S69-H123 VanDerWaalsContact OG-NE2 3.08Å; F82-H123 AromaticContact CD1-CE1 3.98Å; F82-H123 AromaticContact CD1-NE2 3.8Å; F82-H123 PolarHBondContact O-CE1 2.67Å; F82-H123 PolarHBondContact O-NE2 3.15Å; R120-H123 HydrophobicContact CG-CB 4.46Å; C121-H123 PolarHBondContact O-N 2.84Å; H123-L137 HydrophobicContact CB-CD1 3.82Å; H123-L137 WeakPolarHBondContact CD2-CD1 3.33Å; H123-G139 WeakPolarHBondContact CB-O 3.49Å
124Q97.9Very high95.6Very high21 Ų2128.6 Ų28.610%0.09817%0.173CC..EExtended strand (participates in β ladder)trans-115.4129.6166-173.666.222.400111.6V126 L137 F138 R182 M183Q124-V126 HydrophobicContact CG-CG2 4.18Å; Q124-L137 WeakPolarHBondContact O-CA 3.31Å; Q124-F138 PolarHBondContact N-O 3.28Å; Q124-F138 PolarHBondContact O-N 2.88Å; Q124-R182 VanDerWaalsContact OE1-CD 3.31Å; Q124-M183 HydrophobicContact CB-CB 3.83Å; Q124-M183 HydrophobicContact CG-CB 3.58Å; Q124-M183 WeakPolarHBondContact CG-O 3.5Å
125A98Very high95.7Very high4 Ų427.6 Ų27.63%0.03317%0.167CC..EExtended strand (participates in β ladder)trans-106143.3166.300000111.7S69 L135 W136 L137S69-A125 WeakPolarHBondContact OG-CB 3.31Å; A125-L135 HydrophobicContact CB-CD1 3.85Å; A125-L135 HydrophobicContact CB-CG 4.22Å; A125-W136 CarbonylContact C-O 3.57Å; A125-W136 WeakPolarHBondContact CA-O 3.41Å; A125-L137 HydrophobicContact CB-CD1 4.25Å
126V97.5Very high95.9Very high15 Ų1523 Ų239%0.09114%0.142CC..EExtended strand (participates in β ladder)trans-137.6127178.2177.20000109.4Q124 W136 M183 L185 L190Q124-V126 HydrophobicContact CG-CG2 4.18Å; V126-W136 PolarHBondContact N-O 3.03Å; V126-W136 PolarHBondContact O-N 3.32Å; V126-M183 HydrophobicContact CB-CE 4.05Å; V126-M183 HydrophobicContact CG2-CB 4.14Å; V126-M183 HydrophobicContact CG2-CE 3.75Å; V126-M183 HydrophobicContact CG2-CG 4.02Å; V126-M183 WeakPolarHBondContact CG2-O 3.41Å; V126-L185 HydrophobicContact CG1-CB 3.75Å; V126-L190 HydrophobicContact CB-CD2 4.44Å; V126-L190 HydrophobicContact CG1-CD2 4.1Å
127V97.1Very high96Very high33 Ų3322.1 Ų22.120%0.214%0.136CC..EExtended strand (participates in β ladder)trans-81.9131173.4169.80000110.3P74 Q134 L135P74-V127 HydrophobicContact CB-CG1 3.87Å; P74-V127 HydrophobicContact CG-CG1 3.76Å; V127-Q134 CarbonylContact C-O 3.54Å; V127-Q134 WeakPolarHBondContact CA-O 3.35Å; V127-L135 HydrophobicContact CG2-CD1 3.61Å
128V96.1Very high96Very high0 Ų022.1 Ų22.10%014%0.136CC..EExtended strand (participates in β ladder)trans-116.6118171.5-177.70000107.6Q130 Q134 W136 L185 L190 L214V128-Q130 HydrophobicContact CG1-CB 4.06Å; V128-Q130 HydrophobicContact CG1-CG 3.89Å; V128-Q130 PolarHBondContact O-N 3.48Å; V128-Q134 HydrophobicContact CB-CB 4.38Å; V128-Q134 PolarHBondContact N-O 3Å; V128-Q134 PolarHBondContact O-N 3.07Å; V128-W136 HydrophobicContact CG2-CG 4.28Å; V128-L185 HydrophobicContact CG1-CD2 4.33Å; V128-L185 HydrophobicContact CG2-CD1 4.1Å; V128-L185 HydrophobicContact CG2-CD2 4.16Å; V128-L190 HydrophobicContact CG2-CD2 4.12Å; V128-L214 HydrophobicContact CG1-CD1 3.99Å; V128-L214 HydrophobicContact CG2-CD1 4.17Å
129P92.6Very high96Very high81 Ų8121.9 Ų21.953%0.52614%0.135SC..  trans-75.912.3-174.530.8-35.8000114.3P74P74-P129 HydrophobicContact CB-CB 3.9Å
130Q88.3Confident96.1Very high82 Ų8218.6 Ų18.638%0.38312%0.122SC..G310 helixtrans-79.8157.3178.7-63.6179.415.200110.7V128 G132 G133V128-Q130 HydrophobicContact CG1-CB 4.06Å; V128-Q130 HydrophobicContact CG1-CG 3.89Å; V128-Q130 PolarHBondContact O-N 3.48Å; Q130-G132 VanDerWaalsContact C-N 3.25Å; Q130-G132 PolarHBondContact O-N 2.7Å; Q130-G132 VanDerWaalsContact O-N 3.13Å; Q130-G133 PolarHBondContact O-N 3.29Å
131A86.6Confident96Very high77 Ų7719.7 Ų19.764%0.63613%0.127SC*.G310 helixtrans52.934.1173.100000115.7S162A131-S162 PolarHBondContact O-OG 3.27Å
132G86.3Confident96Very high33 Ų3320.1 Ų20.134%0.3413%0.129SC..G310 helixtrans79.219.6-177.600000114.1Q130Q130-G132 VanDerWaalsContact C-N 3.25Å; Q130-G132 PolarHBondContact O-N 2.7Å; Q130-G132 VanDerWaalsContact O-N 3.13Å
133G95.2Very high95.8Very high0 Ų019.6 Ų19.60%013%0.125CC..  trans96.5129.7176.400000113Q130 L161Q130-G133 PolarHBondContact O-N 3.29Å; G133-L161 VanDerWaalsContact O-CB 3.31Å; G133-L161 WeakPolarHBondContact O-CB 3.2Å; G133-L161 PolarHBondContact O-N 3.48Å
134Q97.7Very high95.5Very high18 Ų1819.4 Ų19.48%0.08412%0.124CC..EExtended strand (participates in β ladder)trans-131.9135.7175-68.4178.2-29.500109.6V127 V128 V158 L159 H160V127-Q134 CarbonylContact C-O 3.54Å; V127-Q134 WeakPolarHBondContact CA-O 3.35Å; V128-Q134 HydrophobicContact CB-CB 4.38Å; V128-Q134 PolarHBondContact N-O 3Å; V128-Q134 PolarHBondContact O-N 3.07Å; Q134-V158 HydrophobicContact CB-CG2 3.81Å; Q134-V158 HydrophobicContact CG-CG2 4.05Å; Q134-L159 CarbonylContact C-O 3.56Å; Q134-L159 VanDerWaalsContact CA-O 3.31Å; Q134-L159 WeakPolarHBondContact CA-O 3.42Å; Q134-H160 PolarHBondContact NE2-CE1 3.15Å; Q134-H160 PolarHBondContact NE2-ND1 2.88Å; Q134-H160 VanDerWaalsContact NE2-ND1 3.16Å
135L98.4Very high95.1Very high2 Ų221.4 Ų21.41%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-104.6108.6169-176.975.3000108.4I80 A125 V127 V158 L159I80-L135 HydrophobicContact CG2-CD2 4.07Å; A125-L135 HydrophobicContact CB-CD1 3.85Å; A125-L135 HydrophobicContact CB-CG 4.22Å; V127-L135 HydrophobicContact CG2-CD1 3.61Å; L135-V158 WeakPolarHBondContact O-CA 3.35Å; L135-L159 HydrophobicContact CB-CB 4.2Å; L135-L159 PolarHBondContact N-O 3.29Å; L135-L159 PolarHBondContact O-N 3.34Å
136W98.6Very high94.6Very high1 Ų125.2 Ų25.20%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-91.5134.3178-72.479.1000110.2A125 V126 V128 L156 W157 V158 I169 M183 L190 F212 L214 F217A125-W136 CarbonylContact C-O 3.57Å; A125-W136 WeakPolarHBondContact CA-O 3.41Å; V126-W136 PolarHBondContact N-O 3.03Å; V126-W136 PolarHBondContact O-N 3.32Å; V128-W136 HydrophobicContact CG2-CG 4.28Å; W136-L156 HydrophobicContact CE3-CD1 4.01Å; W136-L156 HydrophobicContact CE3-CD2 4.02Å; W136-L156 HydrophobicContact CE3-CG 4.01Å; W136-L156 HydrophobicContact CZ3-CD2 3.69Å; W136-L156 HydrophobicContact CZ3-CG 4.05Å; W136-W157 CarbonylContact C-O 3.52Å; W136-W157 WeakPolarHBondContact CA-O 3.43Å; W136-V158 HydrophobicContact CD2-CB 3.98Å; W136-V158 HydrophobicContact CD2-CG2 3.98Å; W136-V158 HydrophobicContact CE3-CB 4.08Å; W136-V158 HydrophobicContact CG-CG2 4.25Å; W136-V158 HydrophobicContact CH2-CB 4.34Å; W136-V158 HydrophobicContact CZ2-CB 4.22Å; W136-V158 HydrophobicContact CZ2-CG2 4.05Å; W136-V158 HydrophobicContact CZ3-CB 4.27Å; W136-I169 HydrophobicContact CH2-CG1 4.18Å; W136-I169 HydrophobicContact CZ3-CG1 3.83Å; W136-M183 HydrophobicContact CB-CE 4.23Å; W136-M183 WeakPolarHBondContact O-CE 3.31Å; W136-L190 HydrophobicContact CB-CD1 3.77Å; W136-L190 HydrophobicContact CD2-CD1 3.7Å; W136-L190 HydrophobicContact CE3-CD1 3.69Å; W136-L190 HydrophobicContact CG-CD1 3.76Å; W136-L190 HydrophobicContact CZ3-CD1 4.49Å; W136-F212 HydrophobicContact CE3-CE1 4.45Å; W136-F212 AromaticContact CH2-CE1 3.63Å; W136-F212 HydrophobicContact CH2-CE1 3.63Å; W136-F212 HydrophobicContact CH2-CZ 4.32Å; W136-F212 HydrophobicContact CZ3-CD1 4.17Å; W136-F212 AromaticContact CZ3-CE1 3.52Å; W136-F212 HydrophobicContact CZ3-CE1 3.52Å; W136-F212 HydrophobicContact CZ3-CZ 4.18Å; W136-L214 HydrophobicContact CD2-CD2 4.28Å; W136-L214 HydrophobicContact CH2-CD2 4Å; W136-L214 HydrophobicContact CZ2-CD2 3.52Å; W136-F217 HydrophobicContact CH2-CD1 4.36Å; W136-F217 AromaticContact CH2-CE1 3.82Å; W136-F217 HydrophobicContact CH2-CE1 3.82Å; W136-F217 HydrophobicContact CZ2-CE1 4.38Å
137L98.7Very high94Very high1 Ų125.7 Ų25.71%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-131.5129-173.1174.775.4000109.6F82 P117 H123 Q124 A125 L156 W157 W166F82-L137 HydrophobicContact CD1-CD1 4.33Å; F82-L137 HydrophobicContact CD1-CD2 4.17Å; F82-L137 HydrophobicContact CE1-CD1 4.36Å; F82-L137 HydrophobicContact CE1-CD2 3.55Å; F82-L137 HydrophobicContact CZ-CD2 4.16Å; P117-L137 HydrophobicContact CB-CD2 3.77Å; P117-L137 HydrophobicContact CG-CD2 3.48Å; P117-L137 VanDerWaalsContact CG-CD2 3.48Å; H123-L137 HydrophobicContact CB-CD1 3.82Å; H123-L137 WeakPolarHBondContact CD2-CD1 3.33Å; Q124-L137 WeakPolarHBondContact O-CA 3.31Å; A125-L137 HydrophobicContact CB-CD1 4.25Å; L137-L156 WeakPolarHBondContact O-CA 3.36Å; L137-W157 HydrophobicContact CB-CB 4.22Å; L137-W157 HydrophobicContact CD2-CB 4.38Å; L137-W157 PolarHBondContact N-O 2.64Å; L137-W157 PolarHBondContact O-N 3.41Å; L137-W166 HydrophobicContact CD2-CH2 4.48Å; L137-W166 HydrophobicContact CD2-CZ3 4.42Å
138F98.7Very high93.4Very high0 Ų030.5 Ų30.50%019%0.187CC..EExtended strand (participates in β ladder)trans-130.6141.7177.4-177.8-106.4000111.5Q124 K154 D155 L156 P175 R178 H181 M183 V192 W219Q124-F138 PolarHBondContact N-O 3.28Å; Q124-F138 PolarHBondContact O-N 2.88Å; F138-K154 WeakPolarHBondContact CE2-O 3.49Å; F138-D155 WeakPolarHBondContact CD2-O 3.38Å; F138-L156 HydrophobicContact CB-CD1 3.96Å; F138-L156 HydrophobicContact CD2-CB 4.2Å; F138-L156 HydrophobicContact CD2-CD1 4.14Å; F138-L156 HydrophobicContact CG-CD1 4.47Å; F138-P175 HydrophobicContact CE1-CB 4.13Å; F138-P175 HydrophobicContact CE1-CG 3.91Å; F138-P175 HydrophobicContact CE2-CG 4.26Å; F138-P175 HydrophobicContact CZ-CB 3.73Å; F138-P175 HydrophobicContact CZ-CG 3.54Å; F138-R178 HydrophobicContact CE1-CG 4.1Å; F138-H181 AromaticContact CD1-CD2 3.88Å; F138-H181 AromaticContact CD1-CE1 3.86Å; F138-H181 AromaticContact CD1-NE2 3.36Å; F138-H181 WeakPolarHBondContact CD1-NE2 3.3Å; F138-H181 PolarHBondContact O-CE1 3.05Å; F138-H181 PolarHBondContact O-NE2 2.92Å; F138-H181 VanDerWaalsContact O-NE2 3.16Å; F138-M183 HydrophobicContact CB-CE 4.11Å; F138-M183 HydrophobicContact CB-SD 3.8Å; F138-V192 HydrophobicContact CD1-CG1 4.11Å; F138-V192 HydrophobicContact CD1-CG2 4.07Å; F138-V192 HydrophobicContact CE1-CG1 4.03Å; F138-V192 HydrophobicContact CE1-CG2 4.5Å; F138-W219 HydrophobicContact CD2-CH2 4.32Å; F138-W219 HydrophobicContact CD2-CZ2 4.1Å; F138-W219 HydrophobicContact CE2-CH2 4.44Å; F138-W219 HydrophobicContact CE2-CZ2 4.16Å
139G98.4Very high93.1Very high0 Ų032.4 Ų32.40%020%0.196CC..  trans58.7-142.617000000114.5R120 H123 Y153 D155R120-G139 PolarHBondContact NH1-O 2.75Å; H123-G139 WeakPolarHBondContact CB-O 3.49Å; G139-Y153 WeakPolarHBondContact CA-O 3.15Å; G139-D155 PolarHBondContact N-O 3.43Å
140G98.4Very high93.1Very high0 Ų031.7 Ų31.70%019%0.185CC..  trans94.9-173.6-168.200000111.3C121 Y153 R178C121-G140 CarbonylContact O-C 3.46Å; C121-G140 WeakPolarHBondContact O-CA 3.19Å; G140-Y153 PolarHBondContact O-N 3.15Å; G140-R178 PolarHBondContact N-O 3.21Å
141E97.7Very high93.5Very high23 Ų2331.4 Ų31.411%0.10718%0.181CC..EExtended strand (participates in β ladder)trans-138.5162.9178.767.9-154.9168.300112.6L94 R120 C121 F150 Y151 H152 S179L94-E141 WeakPolarHBondContact CD2-O 3.44Å; R120-E141 WeakPolarHBondContact CA-O 3.44Å; C121-E141 PolarHBondContact N-O 3.27Å; C121-E141 VanDerWaalsContact N-O 3.12Å; C121-E141 PolarHBondContact O-N 2.98Å; E141-F150 HydrophobicContact CG-CD1 4.45Å; E141-Y151 CarbonylContact C-O 3.5Å; E141-Y151 WeakPolarHBondContact CA-O 3.29Å; E141-H152 IonicContact OE2-CE1 3.53Å; E141-H152 PolarHBondContact OE2-CE1 2.85Å; E141-H152 IonicContact OE2-ND1 3.82Å; E141-H152 PolarHBondContact OE2-ND1 2.83Å; E141-S179 VanDerWaalsContact CD-CB 3.46Å; E141-S179 WeakPolarHBondContact OE2-CB 3.12Å; E141-S179 PolarHBondContact OE2-OG 3.34Å
142F97.3Very high94Very high9 Ų928.4 Ų28.44%0.03915%0.153CC..EExtended strand (participates in β ladder)trans-118.4119.8166.4179.6-87.9000108.8L37 L40 I41 F44 L94 R119 F150 Y151 Y153L37-F142 HydrophobicContact CD2-CD1 4.11Å; L37-F142 HydrophobicContact CD2-CE1 4.01Å; L40-F142 HydrophobicContact CD2-CE1 3.94Å; L40-F142 HydrophobicContact CD2-CZ 3.98Å; L40-F142 HydrophobicContact CG-CE1 4.48Å; L40-F142 HydrophobicContact CG-CZ 4.38Å; I41-F142 HydrophobicContact CD1-CB 4.06Å; I41-F142 HydrophobicContact CD1-CD1 4.02Å; I41-F142 HydrophobicContact CD1-CG 4.1Å; I41-F142 HydrophobicContact CG1-CB 4.4Å; I41-F142 HydrophobicContact CG1-CD1 3.88Å; I41-F142 HydrophobicContact CG1-CD2 4.41Å; I41-F142 HydrophobicContact CG1-CE1 4.29Å; I41-F142 HydrophobicContact CG1-CG 3.97Å; F44-F142 HydrophobicContact CD2-CE2 4.29Å; F44-F142 HydrophobicContact CD2-CZ 4.3Å; F44-F142 HydrophobicContact CE2-CE2 4.09Å; F44-F142 AromaticContact CE2-CZ 3.83Å; F44-F142 HydrophobicContact CE2-CZ 3.83Å; L94-F142 HydrophobicContact CB-CD2 4.2Å; L94-F142 HydrophobicContact CB-CE2 4.27Å; L94-F142 HydrophobicContact CD1-CD2 4.13Å; L94-F142 HydrophobicContact CD1-CE2 4.15Å; L94-F142 HydrophobicContact CD2-CD2 4.25Å; L94-F142 HydrophobicContact CG-CD2 4.45Å; R119-F142 HydrophobicContact CB-CD2 3.93Å; R119-F142 HydrophobicContact CB-CE2 4.01Å; F142-F150 WeakPolarHBondContact O-CA 3.31Å; F142-Y151 PolarHBondContact N-O 2.81Å; F142-Y151 PolarHBondContact O-N 2.78Å; F142-Y153 HydrophobicContact CB-CE2 3.78Å; F142-Y153 WeakPolarHBondContact CB-OH 3.35Å
143A93.9Very high94.5Very high2 Ų227.3 Ų27.32%0.01714%0.139CC..EExtended strand (participates in β ladder)trans-87.7145.4173.800000110.3T92 L94 Q149 F150T92-A143 HydrophobicContact CG2-CB 4.15Å; L94-A143 HydrophobicContact CD1-CB 4.01Å; L94-A143 VanDerWaalsContact CD1-O 3.3Å; L94-A143 WeakPolarHBondContact CD1-O 3.4Å; A143-Q149 CarbonylContact C-O 3.56Å; A143-Q149 VanDerWaalsContact CA-O 3.28Å; A143-Q149 WeakPolarHBondContact CA-O 3.28Å; A143-F150 HydrophobicContact CB-CD1 3.8Å; A143-F150 HydrophobicContact CB-CE1 3.72Å
144S91.4Very high94.6Very high5 Ų534.1 Ų34.14%0.03517%0.169CC..  trans-58.9156.9166.344.80000110.5D146 G147 E148 Q149S144-D146 WeakPolarHBondContact CB-OD1 3.41Å; S144-D146 PolarHBondContact O-N 3.06Å; S144-D146 PolarHBondContact OG-OD1 3.32Å; S144-G147 PolarHBondContact O-N 2.92Å; S144-E148 PolarHBondContact OG-N 2.87Å; S144-Q149 PolarHBondContact N-O 2.94Å; S144-Q149 PolarHBondContact OG-N 3.13Å; S144-Q149 PolarHBondContact OG-O 2.91Å
145P89.7Confident94.6Very high64 Ų6434.3 Ų34.342%0.41617%0.17SC..THydrogen-bonded Turntrans-54.7-33.8177.1-28.136.1000113.8L40 K91 T92 G147L40-P145 HydrophobicContact CD2-CG 4.45Å; K91-P145 CarbonylContact C-O 3.58Å; K91-P145 WeakPolarHBondContact CA-O 3.46Å; T92-P145 PolarHBondContact N-O 3.23Å; P145-G147 VanDerWaalsContact C-N 3.27Å; P145-G147 PolarHBondContact O-N 2.91Å
146D87.6Confident94.7Very high84 Ų8434.3 Ų34.345%0.44917%0.17SC..THydrogen-bonded Turntrans-78.2-5.5175.556.120.3000114.1S144 E148S144-D146 WeakPolarHBondContact CB-OD1 3.41Å; S144-D146 PolarHBondContact O-N 3.06Å; S144-D146 PolarHBondContact OG-OD1 3.32Å; D146-E148 HydrophobicContact CB-CG 4.28Å; D146-E148 PolarHBondContact O-N 2.9Å; D146-E148 PolarHBondContact OD1-N 3.35Å
147G85Confident94.7Very high24 Ų2435.1 Ų35.125%0.24717%0.173CC..SBendtrans72.45.6-178.500000115.1S144 P145 F150S144-G147 PolarHBondContact O-N 2.92Å; P145-G147 VanDerWaalsContact C-N 3.27Å; P145-G147 PolarHBondContact O-N 2.91Å; G147-F150 WeakPolarHBondContact O-CZ 3.48Å
148E85.8Confident94.6Very high134 Ų13435.1 Ų35.163%0.62617%0.173SC*.SBendtrans-86.7-20.1-174.1-63.1-165.3159.500114.2S144 D146S144-E148 PolarHBondContact OG-N 2.87Å; D146-E148 HydrophobicContact CB-CG 4.28Å; D146-E148 PolarHBondContact O-N 2.9Å; D146-E148 PolarHBondContact OD1-N 3.35Å
149Q89.5Confident94.6Very high41 Ų4135.1 Ų35.119%0.19217%0.173CC..  trans-132.2141.1-171.5-59168.525.200111.4E33 L37 A143 S144E33-Q149 VanDerWaalsContact CG-NE2 3.34Å; L37-Q149 HydrophobicContact CD1-CB 3.8Å; A143-Q149 CarbonylContact C-O 3.56Å; A143-Q149 VanDerWaalsContact CA-O 3.28Å; A143-Q149 WeakPolarHBondContact CA-O 3.28Å; S144-Q149 PolarHBondContact N-O 2.94Å; S144-Q149 PolarHBondContact OG-N 3.13Å; S144-Q149 PolarHBondContact OG-O 2.91Å
150F92.8Very high94.6Very high66 Ų6637 Ų3729%0.28918%0.182SC..EExtended strand (participates in β ladder)trans-123.6132.9-176.3-54.8-80.7000111.6E141 F142 A143 G147 E198E141-F150 HydrophobicContact CG-CD1 4.45Å; F142-F150 WeakPolarHBondContact O-CA 3.31Å; A143-F150 HydrophobicContact CB-CD1 3.8Å; A143-F150 HydrophobicContact CB-CE1 3.72Å; G147-F150 WeakPolarHBondContact O-CZ 3.48Å; F150-E198 HydrophobicContact CD2-CB 4.42Å; F150-E198 HydrophobicContact CD2-CG 4.48Å; F150-E198 VanDerWaalsContact CD2-OE2 3.29Å; F150-E198 WeakPolarHBondContact CD2-OE2 3.44Å; F150-E198 WeakPolarHBondContact CE2-OE2 3.13Å
151Y95.5Very high94.6Very high76 Ų7637.1 Ų37.130%0.29818%0.183SC..EExtended strand (participates in β ladder)trans-104.9108.5167.1-174.7-83.8000109.5A38 I41 E141 F142 Y153A38-Y151 HydrophobicContact CB-CE2 4.42Å; I41-Y151 HydrophobicContact CD1-CD1 3.61Å; I41-Y151 HydrophobicContact CD1-CD2 4.18Å; I41-Y151 HydrophobicContact CD1-CE1 4.22Å; I41-Y151 HydrophobicContact CD1-CG 3.6Å; E141-Y151 CarbonylContact C-O 3.5Å; E141-Y151 WeakPolarHBondContact CA-O 3.29Å; F142-Y151 PolarHBondContact N-O 2.81Å; F142-Y151 PolarHBondContact O-N 2.78Å; Y151-Y153 AromaticContact CD1-CD1 3.88Å; Y151-Y153 HydrophobicContact CD1-CD1 3.88Å; Y151-Y153 AromaticContact CD1-CE1 3.66Å; Y151-Y153 HydrophobicContact CD1-CE1 3.66Å; Y151-Y153 HydrophobicContact CD1-CG 4.43Å; Y151-Y153 AromaticContact CE1-CD1 3.65Å; Y151-Y153 HydrophobicContact CE1-CD1 3.65Å; Y151-Y153 AromaticContact CE1-CE1 3.63Å; Y151-Y153 HydrophobicContact CE1-CE1 3.63Å; Y151-Y153 HydrophobicContact CE1-CG 4.48Å
152H97.1Very high94.5Very high13 Ų1339.6 Ų39.66%0.0620%0.203CC..EExtended strand (participates in β ladder)trans-87.8119.8-179.9-59.2-84.2000112.4E141 S179 F196 H197 E198E141-H152 IonicContact OE2-CE1 3.53Å; E141-H152 PolarHBondContact OE2-CE1 2.85Å; E141-H152 IonicContact OE2-ND1 3.82Å; E141-H152 PolarHBondContact OE2-ND1 2.83Å; H152-S179 PolarHBondContact CE1-OG 2.86Å; H152-S179 PolarHBondContact ND1-OG 3.06Å; H152-F196 AromaticContact CE1-CD1 3.98Å; H152-H197 AromaticContact CD2-CE1 3.81Å; H152-H197 AromaticContact CD2-CG 3.8Å; H152-H197 AromaticContact CD2-ND1 3.56Å; H152-H197 AromaticContact CG-ND1 3.67Å; H152-E198 PolarHBondContact CD2-O 2.94Å; H152-E198 PolarHBondContact NE2-N 3.36Å; H152-E198 PolarHBondContact NE2-O 3.16Å
153Y97.9Very high94.4Very high11 Ų1143.3 Ų43.34%0.04323%0.226CC..  trans-73.8145.8178.2-63.8-69.9000112.1I41 P118 R119 R120 G139 G140 F142 Y151 D155 G177 R178I41-Y153 HydrophobicContact CD1-CE1 4.26Å; I41-Y153 WeakPolarHBondContact CD1-OH 3.33Å; I41-Y153 HydrophobicContact CG2-CE1 4.45Å; P118-Y153 HydrophobicContact CB-CE1 3.93Å; P118-Y153 WeakPolarHBondContact CB-OH 3.45Å; P118-Y153 HydrophobicContact CG-CE1 4.25Å; R119-Y153 WeakPolarHBondContact O-CE2 3.24Å; R119-Y153 PolarHBondContact O-OH 2.83Å; R120-Y153 HydrophobicContact CB-CD2 3.99Å; R120-Y153 HydrophobicContact CB-CE2 3.79Å; G139-Y153 WeakPolarHBondContact CA-O 3.15Å; G140-Y153 PolarHBondContact O-N 3.15Å; F142-Y153 HydrophobicContact CB-CE2 3.78Å; F142-Y153 WeakPolarHBondContact CB-OH 3.35Å; Y151-Y153 AromaticContact CD1-CD1 3.88Å; Y151-Y153 HydrophobicContact CD1-CD1 3.88Å; Y151-Y153 AromaticContact CD1-CE1 3.66Å; Y151-Y153 HydrophobicContact CD1-CE1 3.66Å; Y151-Y153 HydrophobicContact CD1-CG 4.43Å; Y151-Y153 AromaticContact CE1-CD1 3.65Å; Y151-Y153 HydrophobicContact CE1-CD1 3.65Å; Y151-Y153 AromaticContact CE1-CE1 3.63Å; Y151-Y153 HydrophobicContact CE1-CE1 3.63Å; Y151-Y153 HydrophobicContact CE1-CG 4.48Å; Y153-D155 WeakPolarHBondContact CB-OD1 3.41Å; Y153-G177 CarbonylContact O-C 3.58Å; Y153-G177 WeakPolarHBondContact O-CA 3.22Å; Y153-R178 PolarHBondContact O-N 3.24Å
154K97.3Very high94.5Very high143 Ų14344.6 Ų44.662%0.62223%0.233SC*.  trans-121.58.6174.670.5-176.8178.3-169.40113.2F138F138-K154 WeakPolarHBondContact CE2-O 3.49Å
155D97.9Very high94.8Very high21 Ų2147.4 Ų47.411%0.11225%0.25CC..  trans-84153.1-174.155.45.8000111.4R120 F138 G139 Y153 W157R120-D155 IonicContact CZ-OD1 3.7Å; R120-D155 IonicContact CZ-OD2 3.64Å; R120-D155 IonicContact NH1-OD1 2.64Å; R120-D155 PolarHBondContact NH1-OD1 2.91Å; R120-D155 IonicContact NH1-OD2 2.83Å; R120-D155 IonicContact NH2-OD1 3.48Å; R120-D155 PolarHBondContact NH2-OD1 3.09Å; R120-D155 IonicContact NH2-OD2 2.7Å; R120-D155 PolarHBondContact NH2-OD2 3Å; F138-D155 WeakPolarHBondContact CD2-O 3.38Å; G139-D155 PolarHBondContact N-O 3.43Å; Y153-D155 WeakPolarHBondContact CB-OD1 3.41Å; D155-W157 PolarHBondContact OD2-NE1 2.93Å
156L98.7Very high95.2Very high3 Ų345.5 Ų45.52%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-115.9128.3173.2-177.168000107.7W136 L137 F138 I169 F212 W219W136-L156 HydrophobicContact CE3-CD1 4.01Å; W136-L156 HydrophobicContact CE3-CD2 4.02Å; W136-L156 HydrophobicContact CE3-CG 4.01Å; W136-L156 HydrophobicContact CZ3-CD2 3.69Å; W136-L156 HydrophobicContact CZ3-CG 4.05Å; L137-L156 WeakPolarHBondContact O-CA 3.36Å; F138-L156 HydrophobicContact CB-CD1 3.96Å; F138-L156 HydrophobicContact CD2-CB 4.2Å; F138-L156 HydrophobicContact CD2-CD1 4.14Å; F138-L156 HydrophobicContact CG-CD1 4.47Å; L156-I169 HydrophobicContact CB-CB 4.32Å; L156-I169 HydrophobicContact CD2-CB 4.09Å; L156-I169 HydrophobicContact CD2-CG2 4.15Å; L156-I169 HydrophobicContact CG-CB 4.25Å; L156-I169 PolarHBondContact O-N 3.48Å; L156-F212 HydrophobicContact CD2-CD1 3.97Å; L156-F212 HydrophobicContact CD2-CD2 3.92Å; L156-F212 HydrophobicContact CD2-CE1 3.9Å; L156-F212 HydrophobicContact CD2-CE2 3.85Å; L156-F212 HydrophobicContact CD2-CG 3.97Å; L156-F212 HydrophobicContact CD2-CZ 3.83Å; L156-W219 HydrophobicContact CB-CZ2 4.36Å; L156-W219 HydrophobicContact CD1-CZ2 4.2Å; L156-W219 HydrophobicContact CD2-CZ2 3.77Å; L156-W219 HydrophobicContact CG-CZ2 4.35Å
157W98.6Very high95.7Very high18 Ų1845.8 Ų45.87%0.06823%0.233CC..EExtended strand (participates in β ladder)trans-123.3152.3178.4-66.484.6000110.3P117 W136 L137 D155 W166 E167 Q168P117-W157 HydrophobicContact CB-CD2 4.04Å; P117-W157 HydrophobicContact CB-CG 4.07Å; P117-W157 HydrophobicContact CG-CB 4.2Å; P117-W157 HydrophobicContact CG-CD2 4Å; P117-W157 HydrophobicContact CG-CE3 4.29Å; P117-W157 HydrophobicContact CG-CG 3.96Å; W136-W157 CarbonylContact C-O 3.52Å; W136-W157 WeakPolarHBondContact CA-O 3.43Å; L137-W157 HydrophobicContact CB-CB 4.22Å; L137-W157 HydrophobicContact CD2-CB 4.38Å; L137-W157 PolarHBondContact N-O 2.64Å; L137-W157 PolarHBondContact O-N 3.41Å; D155-W157 PolarHBondContact OD2-NE1 2.93Å; W157-W166 HydrophobicContact CB-CE3 4.26Å; W157-W166 HydrophobicContact CB-CZ3 4.19Å; W157-E167 CarbonylContact C-O 3.59Å; W157-E167 WeakPolarHBondContact CA-O 3.4Å; W157-Q168 HydrophobicContact CD2-CB 3.94Å; W157-Q168 HydrophobicContact CD2-CG 3.98Å; W157-Q168 HydrophobicContact CE3-CB 3.74Å; W157-Q168 HydrophobicContact CE3-CG 4.3Å; W157-Q168 HydrophobicContact CH2-CB 3.72Å; W157-Q168 HydrophobicContact CH2-CG 4.09Å; W157-Q168 HydrophobicContact CZ2-CB 3.88Å; W157-Q168 HydrophobicContact CZ2-CG 3.71Å; W157-Q168 HydrophobicContact CZ3-CB 3.65Å; W157-Q168 HydrophobicContact CZ3-CG 4.37Å
158V98.5Very high96.3Very high1 Ų147.8 Ų47.81%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-130.6131.4167.961.60000109.2Q134 L135 W136 W166 E167 I169Q134-V158 HydrophobicContact CB-CG2 3.81Å; Q134-V158 HydrophobicContact CG-CG2 4.05Å; L135-V158 WeakPolarHBondContact O-CA 3.35Å; W136-V158 HydrophobicContact CD2-CB 3.98Å; W136-V158 HydrophobicContact CD2-CG2 3.98Å; W136-V158 HydrophobicContact CE3-CB 4.08Å; W136-V158 HydrophobicContact CG-CG2 4.25Å; W136-V158 HydrophobicContact CH2-CB 4.34Å; W136-V158 HydrophobicContact CZ2-CB 4.22Å; W136-V158 HydrophobicContact CZ2-CG2 4.05Å; W136-V158 HydrophobicContact CZ3-CB 4.27Å; V158-W166 WeakPolarHBondContact O-CA 3.49Å; V158-E167 HydrophobicContact CG1-CB 3.84Å; V158-E167 HydrophobicContact CG1-CG 4.48Å; V158-E167 PolarHBondContact N-O 3.33Å; V158-E167 PolarHBondContact O-N 2.98Å; V158-I169 HydrophobicContact CG1-CD1 3.91Å; V158-I169 HydrophobicContact CG1-CG1 4.08Å
159L98.6Very high96.9Very high0 Ų042.1 Ų42.10%021%0.21CC..EExtended strand (participates in β ladder)trans-96.8116.7163.2170.562.7000108.1L98 I113 Q134 L135 L161 W166L98-L159 HydrophobicContact CD1-CD2 4.28Å; L98-L159 HydrophobicContact CD2-CD2 3.62Å; I113-L159 HydrophobicContact CD1-CD1 3.58Å; I113-L159 HydrophobicContact CD1-CD2 4.42Å; Q134-L159 CarbonylContact C-O 3.56Å; Q134-L159 VanDerWaalsContact CA-O 3.31Å; Q134-L159 WeakPolarHBondContact CA-O 3.42Å; L135-L159 HydrophobicContact CB-CB 4.2Å; L135-L159 PolarHBondContact N-O 3.29Å; L135-L159 PolarHBondContact O-N 3.34Å; L159-L161 HydrophobicContact CD2-CD2 3.72Å; L159-L161 HydrophobicContact CG-CD2 3.99Å; L159-L161 PolarHBondContact O-N 2.89Å; L159-W166 HydrophobicContact CB-CD2 3.81Å; L159-W166 HydrophobicContact CB-CE3 3.6Å; L159-W166 HydrophobicContact CB-CH2 3.67Å; L159-W166 HydrophobicContact CB-CZ2 3.87Å; L159-W166 HydrophobicContact CB-CZ3 3.53Å; L159-W166 HydrophobicContact CD1-CD2 4.11Å; L159-W166 HydrophobicContact CD1-CG 4.27Å; L159-W166 HydrophobicContact CD2-CH2 4.28Å; L159-W166 HydrophobicContact CD2-CZ2 3.86Å; L159-W166 HydrophobicContact CG-CD2 4.45Å; L159-W166 HydrophobicContact CG-CZ2 4.31Å
160H97.9Very high97.2Very high38 Ų3848.1 Ų48.118%0.17624%0.235CC..EExtended strand (participates in β ladder)trans-79.9105.8170.6-59.1-80.3000108.5Q134 S162 T163 N164 T165 E167Q134-H160 PolarHBondContact NE2-CE1 3.15Å; Q134-H160 PolarHBondContact NE2-ND1 2.88Å; Q134-H160 VanDerWaalsContact NE2-ND1 3.16Å; H160-S162 VanDerWaalsContact C-N 3.27Å; H160-S162 PolarHBondContact O-N 3.23Å; H160-T163 VanDerWaalsContact CB-OG1 3.28Å; H160-T163 WeakPolarHBondContact CB-OG1 3.29Å; H160-T163 PolarHBondContact O-N 3.44Å; H160-N164 WeakPolarHBondContact O-CA 3.39Å; H160-N164 PolarHBondContact O-N 3.09Å; H160-T165 PolarHBondContact N-O 3.07Å; H160-T165 PolarHBondContact O-N 2.93Å; H160-E167 IonicContact CD2-OE2 3.79Å; H160-E167 IonicContact CE1-OE2 3.79Å; H160-E167 IonicContact NE2-OE2 3.68Å; H160-E167 PolarHBondContact NE2-OE2 2.98Å
161L97.6Very high97.3Very high4 Ų447 Ų472%0.02123%0.234CC..THydrogen-bonded Turntrans-71.2-23.3-172.8-63.5170.5000113P74 I80 F100 G133 L159 N164P74-L161 HydrophobicContact CG-CD1 4.09Å; I80-L161 HydrophobicContact CD1-CD1 3.81Å; I80-L161 HydrophobicContact CD1-CD2 3.8Å; I80-L161 HydrophobicContact CD1-CG 4.5Å; F100-L161 HydrophobicContact CE1-CD2 4.21Å; F100-L161 HydrophobicContact CZ-CD2 4.3Å; G133-L161 VanDerWaalsContact O-CB 3.31Å; G133-L161 WeakPolarHBondContact O-CB 3.2Å; G133-L161 PolarHBondContact O-N 3.48Å; L159-L161 HydrophobicContact CD2-CD2 3.72Å; L159-L161 HydrophobicContact CG-CD2 3.99Å; L159-L161 PolarHBondContact O-N 2.89Å; L161-N164 PolarHBondContact O-OD1 3.15Å
162S95.5Very high97.2Very high75 Ų7549 Ų4952%0.52426%0.256SS..THydrogen-bonded Turntrans-73.8-29.8177.353.80000112.8A131 H160A131-S162 PolarHBondContact O-OG 3.27Å; H160-S162 VanDerWaalsContact C-N 3.27Å; H160-S162 PolarHBondContact O-N 3.23Å
163T95.8Very high96.9Very high86 Ų8650.9 Ų50.953%0.52828%0.278SS..THydrogen-bonded Turntrans-112.3-7.3-177.352.60000113.6H160 T165H160-T163 VanDerWaalsContact CB-OG1 3.28Å; H160-T163 WeakPolarHBondContact CB-OG1 3.29Å; H160-T163 PolarHBondContact O-N 3.44Å; T163-T165 PolarHBondContact OG1-OG1 3.47Å
164N96.3Very high96.7Very high29 Ų2952.2 Ų52.216%0.15529%0.292CS..THydrogen-bonded Turntrans51.454.8-172-72.3-18.3000111.5V54 E56 I113 H160 L161V54-N164 HydrophobicContact CG1-CB 4.35Å; V54-N164 HydrophobicContact CG2-CB 4.32Å; E56-N164 PolarHBondContact OE1-ND2 3.41Å; I113-N164 HydrophobicContact CD1-CB 3.82Å; I113-N164 HydrophobicContact CG1-CB 4.33Å; I113-N164 WeakPolarHBondContact CG2-O 3.44Å; H160-N164 WeakPolarHBondContact O-CA 3.39Å; H160-N164 PolarHBondContact O-N 3.09Å; L161-N164 PolarHBondContact O-OD1 3.15Å
165T97.5Very high96.7Very high65 Ų6545.5 Ų45.540%0.39926%0.263SS..EExtended strand (participates in β ladder)trans-130.4127.5-179.854.20000111.7H160 T163H160-T165 PolarHBondContact N-O 3.07Å; H160-T165 PolarHBondContact O-N 2.93Å; T163-T165 PolarHBondContact OG1-OG1 3.47Å
166W98.3Very high96.6Very high23 Ų2346.9 Ų46.99%0.08727%0.274CS..EExtended strand (participates in β ladder)trans-81.5140.3168.6-74.8110.3000111.4F82 I113 N115 P117 L137 W157 V158 L159F82-W166 HydrophobicContact CD2-CH2 4.37Å; F82-W166 AromaticContact CD2-CZ2 3.98Å; F82-W166 HydrophobicContact CD2-CZ2 3.98Å; F82-W166 HydrophobicContact CE2-CH2 4.24Å; F82-W166 AromaticContact CE2-CZ2 3.81Å; F82-W166 HydrophobicContact CE2-CZ2 3.81Å; F82-W166 HydrophobicContact CZ-CH2 4.49Å; F82-W166 HydrophobicContact CZ-CZ2 4.43Å; I113-W166 HydrophobicContact CG2-CG 4.41Å; N115-W166 WeakPolarHBondContact O-CB 3.47Å; P117-W166 HydrophobicContact CG-CD2 4.14Å; P117-W166 HydrophobicContact CG-CE3 3.78Å; P117-W166 HydrophobicContact CG-CH2 3.9Å; P117-W166 HydrophobicContact CG-CZ2 4.24Å; P117-W166 HydrophobicContact CG-CZ3 3.65Å; L137-W166 HydrophobicContact CD2-CH2 4.48Å; L137-W166 HydrophobicContact CD2-CZ3 4.42Å; W157-W166 HydrophobicContact CB-CE3 4.26Å; W157-W166 HydrophobicContact CB-CZ3 4.19Å; V158-W166 WeakPolarHBondContact O-CA 3.49Å; L159-W166 HydrophobicContact CB-CD2 3.81Å; L159-W166 HydrophobicContact CB-CE3 3.6Å; L159-W166 HydrophobicContact CB-CH2 3.67Å; L159-W166 HydrophobicContact CB-CZ2 3.87Å; L159-W166 HydrophobicContact CB-CZ3 3.53Å; L159-W166 HydrophobicContact CD1-CD2 4.11Å; L159-W166 HydrophobicContact CD1-CG 4.27Å; L159-W166 HydrophobicContact CD2-CH2 4.28Å; L159-W166 HydrophobicContact CD2-CZ2 3.86Å; L159-W166 HydrophobicContact CG-CD2 4.45Å; L159-W166 HydrophobicContact CG-CZ2 4.31Å
167E97.7Very high96.5Very high91 Ų9147.1 Ų47.143%0.42528%0.277SS..EExtended strand (participates in β ladder)trans-137.2130.3174.7-177.3-173.2173.200109.8W157 V158 H160 I169W157-E167 CarbonylContact C-O 3.59Å; W157-E167 WeakPolarHBondContact CA-O 3.4Å; V158-E167 HydrophobicContact CG1-CB 3.84Å; V158-E167 HydrophobicContact CG1-CG 4.48Å; V158-E167 PolarHBondContact N-O 3.33Å; V158-E167 PolarHBondContact O-N 2.98Å; H160-E167 IonicContact CD2-OE2 3.79Å; H160-E167 IonicContact CE1-OE2 3.79Å; H160-E167 IonicContact NE2-OE2 3.68Å; H160-E167 PolarHBondContact NE2-OE2 2.98Å; E167-I169 HydrophobicContact CG-CD1 3.91Å; E167-I169 WeakPolarHBondContact OE1-CD1 3.4Å
168Q97.9Very high96.5Very high66 Ų6646.2 Ų46.231%0.30827%0.274SS..EExtended strand (participates in β ladder)trans-89.4119171.9-165.3178.823.200110.2W157 K170W157-Q168 HydrophobicContact CD2-CB 3.94Å; W157-Q168 HydrophobicContact CD2-CG 3.98Å; W157-Q168 HydrophobicContact CE3-CB 3.74Å; W157-Q168 HydrophobicContact CE3-CG 4.3Å; W157-Q168 HydrophobicContact CH2-CB 3.72Å; W157-Q168 HydrophobicContact CH2-CG 4.09Å; W157-Q168 HydrophobicContact CZ2-CB 3.88Å; W157-Q168 HydrophobicContact CZ2-CG 3.71Å; W157-Q168 HydrophobicContact CZ3-CB 3.65Å; W157-Q168 HydrophobicContact CZ3-CG 4.37Å; Q168-K170 VanDerWaalsContact CD-CE 3.41Å; Q168-K170 HydrophobicContact CG-CG 4.23Å; Q168-K170 PolarHBondContact O-N 3.11Å
169I97.8Very high96.5Very high14 Ų1446.4 Ų46.47%0.07228%0.275CS..EExtended strand (participates in β ladder)trans-87103.1179.9-53.9-58.1000109.6W136 L156 V158 E167 V171 F212 F217W136-I169 HydrophobicContact CH2-CG1 4.18Å; W136-I169 HydrophobicContact CZ3-CG1 3.83Å; L156-I169 HydrophobicContact CB-CB 4.32Å; L156-I169 HydrophobicContact CD2-CB 4.09Å; L156-I169 HydrophobicContact CD2-CG2 4.15Å; L156-I169 HydrophobicContact CG-CB 4.25Å; L156-I169 PolarHBondContact O-N 3.48Å; V158-I169 HydrophobicContact CG1-CD1 3.91Å; V158-I169 HydrophobicContact CG1-CG1 4.08Å; E167-I169 HydrophobicContact CG-CD1 3.91Å; E167-I169 WeakPolarHBondContact OE1-CD1 3.4Å; I169-V171 HydrophobicContact CG2-CG1 4.35Å; I169-V171 HydrophobicContact CG2-CG2 4.26Å; I169-F212 HydrophobicContact CG2-CE2 4.27Å; I169-F212 HydrophobicContact CG2-CZ 3.89Å; I169-F217 HydrophobicContact CD1-CE1 4.48Å; I169-F217 HydrophobicContact CG2-CD1 4.43Å
170K96Very high96.5Very high167 Ų16747.3 Ų47.373%0.72628%0.284SS*.  trans-100.591.5-178.1-65.5-179-176.91760111.1Q168Q168-K170 VanDerWaalsContact CD-CE 3.41Å; Q168-K170 HydrophobicContact CG-CG 4.23Å; Q168-K170 PolarHBondContact O-N 3.11Å
171V94.4Very high96.5Very high44 Ų4445.7 Ų45.727%0.26728%0.277SS..  trans-130.3147.8176.2-65.90000111.6I169 F212 F217 W219I169-V171 HydrophobicContact CG2-CG1 4.35Å; I169-V171 HydrophobicContact CG2-CG2 4.26Å; V171-F212 HydrophobicContact CG2-CE2 3.79Å; V171-F217 WeakPolarHBondContact CG1-O 3.41Å; V171-W219 VanDerWaalsContact CG2-CD1 3.46Å
172P93.3Very high96.5Very high118 Ų11848.1 Ų48.177%0.76629%0.286SS*.THydrogen-bonded Turntrans-68.5163.2178.430-35.8000111.7A174P172-A174 VanDerWaalsContact C-N 3.32Å
173G91.3Very high96.6Very high51 Ų5144.6 Ų44.653%0.52626%0.261SS..THydrogen-bonded Turntrans826176.300000115W219G173-W219 VanDerWaalsContact C-CB 3.47Å; G173-W219 WeakPolarHBondContact O-CB 3.15Å
174A93.7Very high96.7Very high39 Ų3941.1 Ų41.132%0.32224%0.24SC..PPolyproline II helixtrans-58.5151.6173.100000111.9P172 W219P172-A174 VanDerWaalsContact C-N 3.32Å; A174-W219 HydrophobicContact CB-CG 4.37Å
175P96.8Very high96.6Very high3 Ų342 Ų422%0.01924%0.244CC..PPolyproline II helixtrans-58.2160.3172.8-14.524.7000112.1F138 H210 W219F138-P175 HydrophobicContact CE1-CB 4.13Å; F138-P175 HydrophobicContact CE1-CG 3.91Å; F138-P175 HydrophobicContact CE2-CG 4.26Å; F138-P175 HydrophobicContact CZ-CB 3.73Å; F138-P175 HydrophobicContact CZ-CG 3.54Å; P175-H210 HydrophobicContact CG-CB 3.77Å; P175-W219 HydrophobicContact CG-CE3 4.34Å; P175-W219 HydrophobicContact CG-CH2 4.22Å; P175-W219 HydrophobicContact CG-CZ3 4.02Å
176S96.9Very high96.3Very high49 Ų4938.9 Ų38.934%0.34323%0.225SC..PPolyproline II helixtrans-60.7157.7169.257.70000111.4R178 Y206S176-R178 WeakPolarHBondContact O-CG 3.44Å; S176-R178 PolarHBondContact O-N 3.03Å; S176-R178 PolarHBondContact O-NE 3.38Å; S176-R178 PolarHBondContact OG-NH2 3.4Å; S176-Y206 VanDerWaalsContact OG-CZ 3.28Å; S176-Y206 PolarHBondContact OG-OH 2.84Å
177G97.1Very high95.8Very high8 Ų843.6 Ų43.68%0.08225%0.246CC..SBendtrans-59.9132.7177.700000111Y153 H197Y153-G177 CarbonylContact O-C 3.58Å; Y153-G177 WeakPolarHBondContact O-CA 3.22Å; G177-H197 PolarHBondContact O-ND1 3.04Å
178R98.3Very high95.4Very high0 Ų046 Ų460%025%0.251CS..  trans-160.8147-171.461.6-173.970.9-163.2-1.2112.9F138 G140 Y153 S176 H181 G194 F196 Y206 D208F138-R178 HydrophobicContact CE1-CG 4.1Å; G140-R178 PolarHBondContact N-O 3.21Å; Y153-R178 PolarHBondContact O-N 3.24Å; S176-R178 WeakPolarHBondContact O-CG 3.44Å; S176-R178 PolarHBondContact O-N 3.03Å; S176-R178 PolarHBondContact O-NE 3.38Å; S176-R178 PolarHBondContact OG-NH2 3.4Å; R178-H181 HydrophobicContact CG-CB 4.16Å; R178-H181 PolarHBondContact O-ND1 2.9Å; R178-G194 WeakPolarHBondContact CD-O 3.38Å; R178-G194 PolarHBondContact NH1-O 3.43Å; R178-F196 VanDerWaalsContact CA-O 3.25Å; R178-F196 WeakPolarHBondContact CA-O 3.46Å; R178-Y206 HydrophobicContact CB-CD2 4.08Å; R178-Y206 HydrophobicContact CB-CE2 3.85Å; R178-D208 IonicContact CZ-OD1 3.83Å; R178-D208 IonicContact CZ-OD2 2.73Å; R178-D208 IonicContact NH1-OD1 2.78Å; R178-D208 PolarHBondContact NH1-OD1 3.34Å; R178-D208 IonicContact NH1-OD2 3.44Å; R178-D208 IonicContact NH2-OD1 2.62Å; R178-D208 PolarHBondContact NH2-OD1 2.81Å; R178-D208 IonicContact NH2-OD2 2.7Å; R178-D208 PolarHBondContact NH2-OD2 3.1Å
179S98.2Very high95.3Very high4 Ų443.9 Ų43.93%0.02824%0.242CC..BIsolated β-bridgetrans-116.3167.3170.455.30000111E141 H152 H181 G195 F196E141-S179 VanDerWaalsContact CD-CB 3.46Å; E141-S179 WeakPolarHBondContact OE2-CB 3.12Å; E141-S179 PolarHBondContact OE2-OG 3.34Å; H152-S179 PolarHBondContact CE1-OG 2.86Å; H152-S179 PolarHBondContact ND1-OG 3.06Å; S179-H181 PolarHBondContact O-N 2.85Å; S179-G195 CarbonylContact O-C 3.57Å; S179-G195 WeakPolarHBondContact O-CA 3.2Å; S179-F196 PolarHBondContact N-O 2.84Å; S179-F196 PolarHBondContact O-N 3.38Å
180G97.6Very high95.2Very high19 Ų1943.2 Ų43.220%0.19624%0.238CC..SBendtrans60.316177.900000114.2A122 S233 A234A122-G180 PolarHBondContact O-N 2.75Å; G180-S233 CarbonylContact O-C 3.56Å; G180-S233 WeakPolarHBondContact O-CA 3.3Å; G180-A234 PolarHBondContact O-N 3.46Å
181H98.5Very high95.3Very high5 Ų535.3 Ų35.32%0.02320%0.204CC..  trans-80.8168.6174.266.1-82.7000109.2F138 R178 S179 G194F138-H181 AromaticContact CD1-CD2 3.88Å; F138-H181 AromaticContact CD1-CE1 3.86Å; F138-H181 AromaticContact CD1-NE2 3.36Å; F138-H181 WeakPolarHBondContact CD1-NE2 3.3Å; F138-H181 PolarHBondContact O-CE1 3.05Å; F138-H181 PolarHBondContact O-NE2 2.92Å; F138-H181 VanDerWaalsContact O-NE2 3.16Å; R178-H181 HydrophobicContact CG-CB 4.16Å; R178-H181 PolarHBondContact O-ND1 2.9Å; S179-H181 PolarHBondContact O-N 2.85Å; H181-G194 WeakPolarHBondContact CB-O 3.35Å
182R97.9Very high95.5Very high55 Ų5533.2 Ų33.221%0.20819%0.191CC..EExtended strand (participates in β ladder)trans-119.6142.6171.1-151.869.2-179.3-176.8-5.7110.9Q124 V192 F193 M237Q124-R182 VanDerWaalsContact OE1-CD 3.31Å; R182-V192 CarbonylContact O-C 3.55Å; R182-V192 WeakPolarHBondContact O-CA 3.5Å; R182-F193 PolarHBondContact N-O 2.75Å; R182-F193 PolarHBondContact O-N 3.41Å; R182-M237 VanDerWaalsContact C-CE 3.45Å; R182-M237 HydrophobicContact CB-CB 3.75Å; R182-M237 HydrophobicContact CB-CE 4.01Å; R182-M237 HydrophobicContact CG-CB 3.5Å; R182-M237 HydrophobicContact CG-CE 4.33Å; R182-M237 WeakPolarHBondContact O-CE 3.47Å
183M97.9Very high95.8Very high0 Ų027.7 Ų27.70%016%0.155CC..EExtended strand (participates in β ladder)trans-127.8134.4175.3-173.8175.966.800109Q124 V126 W136 F138 L190 L191 V192Q124-M183 HydrophobicContact CB-CB 3.83Å; Q124-M183 HydrophobicContact CG-CB 3.58Å; Q124-M183 WeakPolarHBondContact CG-O 3.5Å; V126-M183 HydrophobicContact CB-CE 4.05Å; V126-M183 HydrophobicContact CG2-CB 4.14Å; V126-M183 HydrophobicContact CG2-CE 3.75Å; V126-M183 HydrophobicContact CG2-CG 4.02Å; V126-M183 WeakPolarHBondContact CG2-O 3.41Å; W136-M183 HydrophobicContact CB-CE 4.23Å; W136-M183 WeakPolarHBondContact O-CE 3.31Å; F138-M183 HydrophobicContact CB-CE 4.11Å; F138-M183 HydrophobicContact CB-SD 3.8Å; M183-L190 HydrophobicContact CE-CD1 4.48Å; M183-L190 HydrophobicContact CG-CB 4.13Å; M183-L190 HydrophobicContact SD-CB 4Å; M183-L190 HydrophobicContact SD-CD1 4.05Å; M183-L191 CarbonylContact C-O 3.42Å; M183-L191 WeakPolarHBondContact CA-O 3.25Å; M183-V192 HydrophobicContact CB-CG2 4.1Å; M183-V192 HydrophobicContact CG-CG2 3.82Å; M183-V192 HydrophobicContact SD-CG2 4.03Å
184V96.6Very high96.1Very high14 Ų1425.2 Ų25.29%0.08513%0.13CC..EExtended strand (participates in β ladder)trans-139.8151.9175.9-57.80000111.4L190 L191 M237 V246V184-L190 WeakPolarHBondContact O-CA 3.42Å; V184-L191 PolarHBondContact N-O 3.32Å; V184-L191 PolarHBondContact O-N 3.17Å; V184-M237 HydrophobicContact CB-CE 4.22Å; V184-M237 HydrophobicContact CG1-CB 4.07Å; V184-M237 HydrophobicContact CG1-CE 3.86Å; V184-M237 HydrophobicContact CG1-CG 3.98Å; V184-M237 VanDerWaalsContact CG1-O 3.29Å; V184-M237 WeakPolarHBondContact CG1-O 3.39Å; V184-M237 HydrophobicContact CG2-CE 3.77Å; V184-M237 HydrophobicContact CG2-CG 4.15Å; V184-M237 HydrophobicContact CG2-SD 4.24Å; V184-V246 HydrophobicContact CG2-CB 4.34Å; V184-V246 HydrophobicContact CG2-CG1 3.37Å
185L94.6Very high96.3Very high46 Ų4623.4 Ų23.424%0.24111%0.114CC..EExtended strand (participates in β ladder)trans-79.9117.5171.2179.965.6000110.1V126 V128 K187 L190 L214 S239V126-L185 HydrophobicContact CG1-CB 3.75Å; V128-L185 HydrophobicContact CG1-CD2 4.33Å; V128-L185 HydrophobicContact CG2-CD1 4.1Å; V128-L185 HydrophobicContact CG2-CD2 4.16Å; L185-K187 WeakPolarHBondContact CD1-O 3.38Å; L185-L190 HydrophobicContact CB-CD2 4.36Å; L185-L190 HydrophobicContact CD1-CD2 4.02Å; L185-L214 HydrophobicContact CD1-CD1 3.66Å; L185-S239 PolarHBondContact O-OG 3.4Å
186S91.9Very high96.3Very high0 Ų024.7 Ų24.70%012%0.12CC..EExtended strand (participates in β ladder)trans-120.5108.5171.5176.70000108.8R188 Q189 G243 R275S186-R188 PolarHBondContact O-N 2.88Å; S186-R188 VanDerWaalsContact O-N 3.14Å; S186-Q189 PolarHBondContact N-O 2.89Å; S186-Q189 PolarHBondContact O-N 2.93Å; S186-G243 PolarHBondContact OG-O 2.73Å; S186-R275 PolarHBondContact O-NH2 3.31Å; S186-R275 PolarHBondContact OG-NH2 2.83Å
187K88.3Confident96.3Very high122 Ų12224.9 Ų24.953%0.5312%0.115SC..THydrogen-bonded Turntrans53.6-112.9-170.3-56.7-176-179-1780111.4L185 G243L185-K187 WeakPolarHBondContact CD1-O 3.38Å; K187-G243 WeakPolarHBondContact CE-O 3.47Å; K187-G243 WeakPolarHBondContact CG-O 3.36Å
188R89.3Confident96Very high142 Ų14227.7 Ų27.754%0.53613%0.126SC..THydrogen-bonded Turntrans-109.326.7178-57.9-166.2-57.2-138.23.7112.5S186 L214 D215S186-R188 PolarHBondContact O-N 2.88Å; S186-R188 VanDerWaalsContact O-N 3.14Å; R188-L214 WeakPolarHBondContact O-CB 2.92Å; R188-L214 PolarHBondContact O-N 3.11Å; R188-D215 VanDerWaalsContact CD-OD1 3.31Å; R188-D215 WeakPolarHBondContact CD-OD1 3.42Å; R188-D215 IonicContact CZ-OD1 3.75Å; R188-D215 IonicContact CZ-OD2 3.64Å; R188-D215 VanDerWaalsContact NE-CG 3.26Å; R188-D215 IonicContact NE-OD1 3.95Å; R188-D215 PolarHBondContact NE-OD1 3Å; R188-D215 IonicContact NE-OD2 3.68Å; R188-D215 PolarHBondContact NE-OD2 3.27Å; R188-D215 IonicContact NH2-OD1 3.33Å; R188-D215 IonicContact NH2-OD2 3.48Å; R188-D215 PolarHBondContact NH2-OD2 2.85Å
189Q93.9Very high95.3Very high22 Ų2230.1 Ų30.110%0.10314%0.143CC..EExtended strand (participates in β ladder)trans-129.9139.6178.4-71.2168.4-29.600110.8S186 L191 F212 E282S186-Q189 PolarHBondContact N-O 2.89Å; S186-Q189 PolarHBondContact O-N 2.93Å; Q189-L191 HydrophobicContact CB-CD2 4.43Å; Q189-F212 CarbonylContact C-O 3.51Å; Q189-F212 WeakPolarHBondContact CA-O 3.28Å; Q189-E282 PolarHBondContact NE2-OE2 2.74Å; Q189-E282 VanDerWaalsContact NE2-OE2 3.08Å
190L97.3Very high94.3Very high0 Ų032.8 Ų32.80%017%0.165CC..EExtended strand (participates in β ladder)trans-88.9119165.2-55.4174.7000107.9V126 V128 W136 M183 V184 L185 A211 F212 L214V126-L190 HydrophobicContact CB-CD2 4.44Å; V126-L190 HydrophobicContact CG1-CD2 4.1Å; V128-L190 HydrophobicContact CG2-CD2 4.12Å; W136-L190 HydrophobicContact CB-CD1 3.77Å; W136-L190 HydrophobicContact CD2-CD1 3.7Å; W136-L190 HydrophobicContact CE3-CD1 3.69Å; W136-L190 HydrophobicContact CG-CD1 3.76Å; W136-L190 HydrophobicContact CZ3-CD1 4.49Å; M183-L190 HydrophobicContact CE-CD1 4.48Å; M183-L190 HydrophobicContact CG-CB 4.13Å; M183-L190 HydrophobicContact SD-CB 4Å; M183-L190 HydrophobicContact SD-CD1 4.05Å; V184-L190 WeakPolarHBondContact O-CA 3.42Å; L185-L190 HydrophobicContact CB-CD2 4.36Å; L185-L190 HydrophobicContact CD1-CD2 4.02Å; L190-A211 CarbonylContact O-C 3.43Å; L190-A211 WeakPolarHBondContact O-CA 3.28Å; L190-F212 HydrophobicContact CB-CB 4.24Å; L190-F212 HydrophobicContact CD1-CD1 4.19Å; L190-F212 PolarHBondContact N-O 2.94Å; L190-F212 PolarHBondContact O-N 2.95Å; L190-L214 HydrophobicContact CD1-CD2 4.18Å; L190-L214 HydrophobicContact CG-CD2 4.15Å; L190-L214 HydrophobicContact CG-CG 4.48Å
191L97.6Very high93.4Very high1 Ų137 Ų371%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-99.7128.6176.9-59.9-179.5000109.3M183 V184 Q189 H210 A211 L222 M237 V246 W284M183-L191 CarbonylContact C-O 3.42Å; M183-L191 WeakPolarHBondContact CA-O 3.25Å; V184-L191 PolarHBondContact N-O 3.32Å; V184-L191 PolarHBondContact O-N 3.17Å; Q189-L191 HydrophobicContact CB-CD2 4.43Å; L191-H210 CarbonylContact C-O 3.54Å; L191-H210 WeakPolarHBondContact CA-O 3.09Å; L191-A211 HydrophobicContact CD2-CB 3.51Å; L191-L222 HydrophobicContact CD2-CD1 4.17Å; L191-M237 VanDerWaalsContact O-CE 3.28Å; L191-M237 WeakPolarHBondContact O-CE 3.36Å; L191-V246 HydrophobicContact CD1-CG1 3.72Å; L191-V246 HydrophobicContact CD1-CG2 4.33Å; L191-W284 HydrophobicContact CD1-CH2 3.62Å; L191-W284 HydrophobicContact CD1-CZ2 4.49Å; L191-W284 HydrophobicContact CD1-CZ3 4.09Å; L191-W284 HydrophobicContact CD2-CH2 4.15Å; L191-W284 HydrophobicContact CD2-CZ2 4.24Å
192V98.5Very high92.7Very high0 Ų040.2 Ų40.20%019%0.193CC..EExtended strand (participates in β ladder)trans-111.7132.7176.4179.30000109F138 R182 M183 V209 H210 W219F138-V192 HydrophobicContact CD1-CG1 4.11Å; F138-V192 HydrophobicContact CD1-CG2 4.07Å; F138-V192 HydrophobicContact CE1-CG1 4.03Å; F138-V192 HydrophobicContact CE1-CG2 4.5Å; R182-V192 CarbonylContact O-C 3.55Å; R182-V192 WeakPolarHBondContact O-CA 3.5Å; M183-V192 HydrophobicContact CB-CG2 4.1Å; M183-V192 HydrophobicContact CG-CG2 3.82Å; M183-V192 HydrophobicContact SD-CG2 4.03Å; V192-V209 WeakPolarHBondContact O-CA 3.38Å; V192-H210 HydrophobicContact CB-CB 4.44Å; V192-H210 PolarHBondContact N-O 2.91Å; V192-H210 PolarHBondContact O-N 3.16Å; V192-W219 HydrophobicContact CG2-CH2 3.85Å; V192-W219 HydrophobicContact CG2-CZ3 3.97Å
193F98.6Very high92.5Very high1 Ų138.7 Ų38.70%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-135.6141.8175.6173.8-94.5000111.8R182 N207 V209 P229 R232 M237 I248 W286R182-F193 PolarHBondContact N-O 2.75Å; R182-F193 PolarHBondContact O-N 3.41Å; F193-N207 HydrophobicContact CE2-CB 4.07Å; F193-N207 WeakPolarHBondContact CE2-O 3.37Å; F193-N207 HydrophobicContact CZ-CB 4.16Å; F193-V209 HydrophobicContact CD2-CG2 3.86Å; F193-P229 HydrophobicContact CE1-CG 4.36Å; F193-P229 HydrophobicContact CE2-CG 4.11Å; F193-P229 HydrophobicContact CZ-CB 3.84Å; F193-P229 HydrophobicContact CZ-CG 3.64Å; F193-R232 HydrophobicContact CE1-CG 3.94Å; F193-R232 HydrophobicContact CZ-CG 4.4Å; F193-M237 HydrophobicContact CB-CE 4.34Å; F193-M237 HydrophobicContact CB-SD 3.94Å; F193-I248 HydrophobicContact CB-CD1 4.16Å; F193-I248 HydrophobicContact CD1-CD1 3.5Å; F193-I248 VanDerWaalsContact CD1-CD1 3.5Å; F193-I248 HydrophobicContact CD1-CG1 4.26Å; F193-I248 HydrophobicContact CD1-CG2 4.25Å; F193-I248 HydrophobicContact CD2-CD1 3.87Å; F193-I248 HydrophobicContact CE1-CD1 3.8Å; F193-I248 HydrophobicContact CE1-CG2 3.99Å; F193-I248 HydrophobicContact CE2-CD1 4.12Å; F193-I248 HydrophobicContact CG-CD1 3.53Å; F193-I248 HydrophobicContact CZ-CD1 4.1Å; F193-W286 HydrophobicContact CD2-CH2 4.4Å; F193-W286 HydrophobicContact CD2-CZ2 4.3Å; F193-W286 HydrophobicContact CE2-CH2 4.41Å; F193-W286 HydrophobicContact CE2-CZ2 4.21Å
194G98.1Very high92.3Very high0 Ų042.6 Ų42.60%021%0.208CC..  trans68.8-151.516800000113.5R178 H181 Y206 D208R178-G194 WeakPolarHBondContact CD-O 3.38Å; R178-G194 PolarHBondContact NH1-O 3.43Å; H181-G194 WeakPolarHBondContact CB-O 3.35Å; G194-Y206 VanDerWaalsContact CA-O 3.31Å; G194-Y206 WeakPolarHBondContact CA-O 3.33Å; G194-D208 PolarHBondContact N-O 2.95Å
195G98.1Very high92.4Very high0 Ų043.3 Ų43.30%021%0.209CC..  trans106.4179.5-177.300000112.9S179 Y205 Y206 R232S179-G195 CarbonylContact O-C 3.57Å; S179-G195 WeakPolarHBondContact O-CA 3.2Å; G195-Y205 WeakPolarHBondContact O-CA 3.34Å; G195-Y206 PolarHBondContact O-N 2.95Å; G195-R232 PolarHBondContact N-O 2.5Å
196F97Very high92.5Very high30 Ų3042.7 Ų42.713%0.13220%0.204CC..EExtended strand (participates in β ladder)trans-130.2152-175.5169.4-101.1000109.8H152 R178 S179 E198 F203 I204 Y205H152-F196 AromaticContact CE1-CD1 3.98Å; R178-F196 VanDerWaalsContact CA-O 3.25Å; R178-F196 WeakPolarHBondContact CA-O 3.46Å; S179-F196 PolarHBondContact N-O 2.84Å; S179-F196 PolarHBondContact O-N 3.38Å; F196-E198 HydrophobicContact CE1-CB 3.55Å; F196-E198 HydrophobicContact CZ-CB 3.6Å; F196-E198 HydrophobicContact CZ-CG 4.29Å; F196-F203 HydrophobicContact CD2-CB 4.36Å; F196-F203 HydrophobicContact CE2-CB 3.42Å; F196-F203 VanDerWaalsContact CE2-CB 3.42Å; F196-F203 HydrophobicContact CE2-CD2 4.24Å; F196-F203 HydrophobicContact CE2-CG 4.01Å; F196-F203 HydrophobicContact CZ-CB 3.83Å; F196-I204 CarbonylContact C-O 3.6Å; F196-I204 WeakPolarHBondContact CA-O 3.12Å; F196-Y205 HydrophobicContact CB-CD1 4.28Å; F196-Y205 HydrophobicContact CB-CE1 4.24Å; F196-Y205 HydrophobicContact CD2-CD1 4.05Å; F196-Y205 HydrophobicContact CD2-CD2 4.14Å; F196-Y205 AromaticContact CD2-CE1 3.67Å; F196-Y205 HydrophobicContact CD2-CE1 3.67Å; F196-Y205 AromaticContact CD2-CE2 3.72Å; F196-Y205 HydrophobicContact CD2-CE2 3.72Å; F196-Y205 HydrophobicContact CD2-CG 4.28Å; F196-Y205 AromaticContact CD2-CZ 3.48Å; F196-Y205 VanDerWaalsContact CD2-CZ 3.48Å; F196-Y205 HydrophobicContact CE2-CE1 4.41Å; F196-Y205 AromaticContact CE2-CE2 3.87Å; F196-Y205 HydrophobicContact CE2-CE2 3.87Å; F196-Y205 AromaticContact CE2-CZ 3.78Å; F196-Y205 HydrophobicContact CG-CE1 4.34Å
197H96.3Very high92.8Very high54 Ų5446.4 Ų46.425%0.2522%0.224CC..EExtended strand (participates in β ladder)trans-145.2121.4171.1-175.3102000108.7H152 G177 F203 I204 Y206H152-H197 AromaticContact CD2-CE1 3.81Å; H152-H197 AromaticContact CD2-CG 3.8Å; H152-H197 AromaticContact CD2-ND1 3.56Å; H152-H197 AromaticContact CG-ND1 3.67Å; G177-H197 PolarHBondContact O-ND1 3.04Å; H197-F203 CarbonylContact O-C 3.54Å; H197-F203 VanDerWaalsContact O-CA 3.28Å; H197-F203 WeakPolarHBondContact O-CA 3.27Å; H197-I204 PolarHBondContact N-O 3.31Å; H197-I204 PolarHBondContact O-N 3.04Å; H197-Y206 HydrophobicContact CB-CE2 3.68Å; H197-Y206 VanDerWaalsContact CB-OH 3.28Å; H197-Y206 WeakPolarHBondContact CB-OH 3.38Å
198E91.8Very high93.2Very high66 Ų6641.6 Ų41.631%0.30820%0.204SC..EExtended strand (participates in β ladder)trans-103.1148.1173.4-171.2151.8-136.800111.3F150 H152 F196F150-E198 HydrophobicContact CD2-CB 4.42Å; F150-E198 HydrophobicContact CD2-CG 4.48Å; F150-E198 VanDerWaalsContact CD2-OE2 3.29Å; F150-E198 WeakPolarHBondContact CD2-OE2 3.44Å; F150-E198 WeakPolarHBondContact CE2-OE2 3.13Å; H152-E198 PolarHBondContact CD2-O 2.94Å; H152-E198 PolarHBondContact NE2-N 3.36Å; H152-E198 PolarHBondContact NE2-O 3.16Å; F196-E198 HydrophobicContact CE1-CB 3.55Å; F196-E198 HydrophobicContact CZ-CB 3.6Å; F196-E198 HydrophobicContact CZ-CG 4.29Å
199S84Confident93.7Very high51 Ų5135 Ų3536%0.35718%0.179SC..EExtended strand (participates in β ladder)trans-137.3163.8166.265.60000107.1R201 D202S199-R201 PolarHBondContact O-N 2.91Å; S199-D202 PolarHBondContact N-O 2.95Å; S199-D202 PolarHBondContact O-N 2.82Å; S199-D202 VanDerWaalsContact O-N 3.16Å; S199-D202 VanDerWaalsContact O-O 3.12Å; S199-D202 PolarHBondContact OG-N 3.21Å; S199-D202 PolarHBondContact OG-O 3.09Å
200A76.9Confident93.8Very high60 Ų6034.5 Ų34.550%0.49618%0.177SC..THydrogen-bonded Turntrans-58.91.5-178.600000116.3
201R77.2Confident93.8Very high107 Ų10734.5 Ų34.540%0.40418%0.177SC..THydrogen-bonded Turntrans-126-31.6178.6-65.2180-179.5-1405113.9D23 I26 S27 S199 K256D23-R201 PolarHBondContact O-NH2 2.88Å; I26-R201 HydrophobicContact CG2-CG 3.6Å; S27-R201 PolarHBondContact OG-NH2 3Å; S199-R201 PolarHBondContact O-N 2.91Å; R201-K256 PolarHBondContact O-NZ 3.44Å; R201-K256 VanDerWaalsContact O-NZ 3.1Å
202D85.7Confident93.8Very high74 Ų7434.4 Ų34.440%0.39618%0.177SC..EExtended strand (participates in β ladder)trans-156153.5-165.7-151.314.6000110.8S199 K256S199-D202 PolarHBondContact N-O 2.95Å; S199-D202 PolarHBondContact O-N 2.82Å; S199-D202 VanDerWaalsContact O-N 3.16Å; S199-D202 VanDerWaalsContact O-O 3.12Å; S199-D202 PolarHBondContact OG-N 3.21Å; S199-D202 PolarHBondContact OG-O 3.09Å; D202-K256 WeakPolarHBondContact OD1-CE 3.31Å; D202-K256 IonicContact OD1-NZ 2.67Å; D202-K256 PolarHBondContact OD1-NZ 2.98Å
203F91.7Very high93.7Very high23 Ų2335.3 Ų35.310%0.10118%0.183CC..EExtended strand (participates in β ladder)trans-124.4149.917458.7-102000110.1F196 H197 Y205 K254 K256 E262F196-F203 HydrophobicContact CD2-CB 4.36Å; F196-F203 HydrophobicContact CE2-CB 3.42Å; F196-F203 VanDerWaalsContact CE2-CB 3.42Å; F196-F203 HydrophobicContact CE2-CD2 4.24Å; F196-F203 HydrophobicContact CE2-CG 4.01Å; F196-F203 HydrophobicContact CZ-CB 3.83Å; H197-F203 CarbonylContact O-C 3.54Å; H197-F203 VanDerWaalsContact O-CA 3.28Å; H197-F203 WeakPolarHBondContact O-CA 3.27Å; F203-Y205 AromaticContact CD2-CD2 3.93Å; F203-Y205 HydrophobicContact CD2-CD2 3.93Å; F203-Y205 AromaticContact CD2-CE2 3.59Å; F203-Y205 HydrophobicContact CD2-CE2 3.59Å; F203-Y205 HydrophobicContact CE2-CD2 4.23Å; F203-Y205 AromaticContact CE2-CE2 3.81Å; F203-Y205 HydrophobicContact CE2-CE2 3.81Å; F203-K254 HydrophobicContact CE2-CB 3.85Å; F203-K254 WeakPolarHBondContact CE2-O 3.46Å; F203-K254 HydrophobicContact CZ-CB 3.85Å; F203-K256 HydrophobicContact CE1-CD 4.4Å; F203-K256 VanDerWaalsContact CE1-CE 3.49Å; F203-K256 HydrophobicContact CE1-CG 4.07Å; F203-K256 HydrophobicContact CZ-CD 4.47Å; F203-K256 HydrophobicContact CZ-CG 3.77Å; F203-E262 WeakPolarHBondContact CE1-OE1 3.41Å
204I95.1Very high93.5Very high81 Ų8135.8 Ų35.842%0.41519%0.185SC..EExtended strand (participates in β ladder)trans-131.9123.1-178.7-56.7176.7000108F196 H197 Y206F196-I204 CarbonylContact C-O 3.6Å; F196-I204 WeakPolarHBondContact CA-O 3.12Å; H197-I204 PolarHBondContact N-O 3.31Å; H197-I204 PolarHBondContact O-N 3.04Å; I204-Y206 HydrophobicContact CB-CE1 4.36Å; I204-Y206 HydrophobicContact CG2-CD1 3.94Å; I204-Y206 HydrophobicContact CG2-CE1 3.61Å
205Y97.5Very high93.3Very high29 Ų2940 Ų4011%0.11421%0.208CC..EExtended strand (participates in β ladder)trans-88.9142.4162.4-67.7-93.2000108.9G195 F196 F203 P231 S233 Y252 K254G195-Y205 WeakPolarHBondContact O-CA 3.34Å; F196-Y205 HydrophobicContact CB-CD1 4.28Å; F196-Y205 HydrophobicContact CB-CE1 4.24Å; F196-Y205 HydrophobicContact CD2-CD1 4.05Å; F196-Y205 HydrophobicContact CD2-CD2 4.14Å; F196-Y205 AromaticContact CD2-CE1 3.67Å; F196-Y205 HydrophobicContact CD2-CE1 3.67Å; F196-Y205 AromaticContact CD2-CE2 3.72Å; F196-Y205 HydrophobicContact CD2-CE2 3.72Å; F196-Y205 HydrophobicContact CD2-CG 4.28Å; F196-Y205 AromaticContact CD2-CZ 3.48Å; F196-Y205 VanDerWaalsContact CD2-CZ 3.48Å; F196-Y205 HydrophobicContact CE2-CE1 4.41Å; F196-Y205 AromaticContact CE2-CE2 3.87Å; F196-Y205 HydrophobicContact CE2-CE2 3.87Å; F196-Y205 AromaticContact CE2-CZ 3.78Å; F196-Y205 HydrophobicContact CG-CE1 4.34Å; F203-Y205 AromaticContact CD2-CD2 3.93Å; F203-Y205 HydrophobicContact CD2-CD2 3.93Å; F203-Y205 AromaticContact CD2-CE2 3.59Å; F203-Y205 HydrophobicContact CD2-CE2 3.59Å; F203-Y205 HydrophobicContact CE2-CD2 4.23Å; F203-Y205 AromaticContact CE2-CE2 3.81Å; F203-Y205 HydrophobicContact CE2-CE2 3.81Å; Y205-P231 WeakPolarHBondContact O-CB 3.34Å; Y205-S233 WeakPolarHBondContact CE1-OG 3.39Å; Y205-Y252 HydrophobicContact CE1-CD1 4.48Å; Y205-K254 HydrophobicContact CE2-CB 3.95Å; Y205-K254 VanDerWaalsContact CZ-N 3.33Å; Y205-K254 PolarHBondContact OH-N 2.9Å
206Y98.1Very high93.2Very high34 Ų3443.3 Ų43.313%0.13323%0.231CC..  trans-105.8155179.6-58.7-65.9000111.7S176 R178 G194 G195 H197 I204 D208 P231 R232S176-Y206 VanDerWaalsContact OG-CZ 3.28Å; S176-Y206 PolarHBondContact OG-OH 2.84Å; R178-Y206 HydrophobicContact CB-CD2 4.08Å; R178-Y206 HydrophobicContact CB-CE2 3.85Å; G194-Y206 VanDerWaalsContact CA-O 3.31Å; G194-Y206 WeakPolarHBondContact CA-O 3.33Å; G195-Y206 PolarHBondContact O-N 2.95Å; H197-Y206 HydrophobicContact CB-CE2 3.68Å; H197-Y206 VanDerWaalsContact CB-OH 3.28Å; H197-Y206 WeakPolarHBondContact CB-OH 3.38Å; I204-Y206 HydrophobicContact CB-CE1 4.36Å; I204-Y206 HydrophobicContact CG2-CD1 3.94Å; I204-Y206 HydrophobicContact CG2-CE1 3.61Å; Y206-D208 WeakPolarHBondContact CB-OD1 3.45Å; Y206-P231 WeakPolarHBondContact O-CA 3.28Å; Y206-R232 PolarHBondContact O-N 3.02Å
207N97.8Very high93.1Very high77 Ų7746.1 Ų46.141%0.41224%0.243SC..  trans-138.916165.765.8-16.3000112F193 P229 P231F193-N207 HydrophobicContact CE2-CB 4.07Å; F193-N207 WeakPolarHBondContact CE2-O 3.37Å; F193-N207 HydrophobicContact CZ-CB 4.16Å; N207-P229 PolarHBondContact ND2-O 3.46Å; N207-P231 HydrophobicContact CB-CG 4.29Å
208D97.8Very high93.1Very high21 Ų2147 Ų4711%0.11225%0.253CS..  trans-71.1154.7173.759.8-13.9000110.4R178 G194 Y206 H210R178-D208 IonicContact CZ-OD1 3.83Å; R178-D208 IonicContact CZ-OD2 2.73Å; R178-D208 IonicContact NH1-OD1 2.78Å; R178-D208 PolarHBondContact NH1-OD1 3.34Å; R178-D208 IonicContact NH1-OD2 3.44Å; R178-D208 IonicContact NH2-OD1 2.62Å; R178-D208 PolarHBondContact NH2-OD1 2.81Å; R178-D208 IonicContact NH2-OD2 2.7Å; R178-D208 PolarHBondContact NH2-OD2 3.1Å; G194-D208 PolarHBondContact N-O 2.95Å; Y206-D208 WeakPolarHBondContact CB-OD1 3.45Å; D208-H210 IonicContact OD2-CD2 3.45Å; D208-H210 PolarHBondContact OD2-CD2 3.11Å; D208-H210 IonicContact OD2-CE1 3.88Å; D208-H210 IonicContact OD2-NE2 3.24Å; D208-H210 PolarHBondContact OD2-NE2 2.96Å
209V97.8Very high93.4Very high4 Ų445 Ų452%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-117.9129.9175-171.70000108.2V192 F193 L222 P224 L273 W286V192-V209 WeakPolarHBondContact O-CA 3.38Å; F193-V209 HydrophobicContact CD2-CG2 3.86Å; V209-L222 HydrophobicContact CB-CB 4.18Å; V209-L222 HydrophobicContact CG1-CB 4.31Å; V209-L222 HydrophobicContact CG1-CD1 3.79Å; V209-L222 HydrophobicContact CG1-CG 4.31Å; V209-L222 PolarHBondContact O-N 3.25Å; V209-P224 HydrophobicContact CG2-CG 4.25Å; V209-L273 HydrophobicContact CG1-CD2 3.82Å; V209-L273 HydrophobicContact CG2-CD2 4.11Å; V209-W286 HydrophobicContact CG2-CH2 4.41Å; V209-W286 HydrophobicContact CG2-CZ2 3.58Å
210H97.9Very high94Very high11 Ų1144.9 Ų44.95%0.05124%0.242CC..EExtended strand (participates in β ladder)trans-121.4147.3172.9-65.6-101000110.2P175 L191 V192 D208 W219 S220P175-H210 HydrophobicContact CG-CB 3.77Å; L191-H210 CarbonylContact C-O 3.54Å; L191-H210 WeakPolarHBondContact CA-O 3.09Å; V192-H210 HydrophobicContact CB-CB 4.44Å; V192-H210 PolarHBondContact N-O 2.91Å; V192-H210 PolarHBondContact O-N 3.16Å; D208-H210 IonicContact OD2-CD2 3.45Å; D208-H210 PolarHBondContact OD2-CD2 3.11Å; D208-H210 IonicContact OD2-CE1 3.88Å; D208-H210 IonicContact OD2-NE2 3.24Å; D208-H210 PolarHBondContact OD2-NE2 2.96Å; H210-W219 HydrophobicContact CB-CE3 3.98Å; H210-W219 HydrophobicContact CB-CZ3 3.95Å; H210-S220 CarbonylContact C-O 3.52Å; H210-S220 WeakPolarHBondContact CA-O 3.04Å
211A96.8Very high94.9Very high0 Ų050.3 Ų50.30%025%0.249CC..EExtended strand (participates in β ladder)trans-124.2125175.300000109.8L190 L191 W219 S220 L222L190-A211 CarbonylContact O-C 3.43Å; L190-A211 WeakPolarHBondContact O-CA 3.28Å; L191-A211 HydrophobicContact CD2-CB 3.51Å; A211-W219 CarbonylContact O-C 3.58Å; A211-W219 WeakPolarHBondContact O-CA 3.41Å; A211-S220 PolarHBondContact N-O 2.85Å; A211-S220 PolarHBondContact O-N 2.87Å; A211-S220 PolarHBondContact O-OG 3.03Å; A211-L222 HydrophobicContact CB-CD1 4.03Å; A211-L222 HydrophobicContact CB-CD2 3.99Å; A211-L222 HydrophobicContact CB-CG 4.04Å
212F97.8Very high95.7Very high0 Ų046.1 Ų46.10%024%0.235CC..EExtended strand (participates in β ladder)trans-99.5120.2168.6-175.8-103000109.6W136 L156 I169 V171 Q189 L190 L214 F217 W219W136-F212 HydrophobicContact CE3-CE1 4.45Å; W136-F212 AromaticContact CH2-CE1 3.63Å; W136-F212 HydrophobicContact CH2-CE1 3.63Å; W136-F212 HydrophobicContact CH2-CZ 4.32Å; W136-F212 HydrophobicContact CZ3-CD1 4.17Å; W136-F212 AromaticContact CZ3-CE1 3.52Å; W136-F212 HydrophobicContact CZ3-CE1 3.52Å; W136-F212 HydrophobicContact CZ3-CZ 4.18Å; L156-F212 HydrophobicContact CD2-CD1 3.97Å; L156-F212 HydrophobicContact CD2-CD2 3.92Å; L156-F212 HydrophobicContact CD2-CE1 3.9Å; L156-F212 HydrophobicContact CD2-CE2 3.85Å; L156-F212 HydrophobicContact CD2-CG 3.97Å; L156-F212 HydrophobicContact CD2-CZ 3.83Å; I169-F212 HydrophobicContact CG2-CE2 4.27Å; I169-F212 HydrophobicContact CG2-CZ 3.89Å; V171-F212 HydrophobicContact CG2-CE2 3.79Å; Q189-F212 CarbonylContact C-O 3.51Å; Q189-F212 WeakPolarHBondContact CA-O 3.28Å; L190-F212 HydrophobicContact CB-CB 4.24Å; L190-F212 HydrophobicContact CD1-CD1 4.19Å; L190-F212 PolarHBondContact N-O 2.94Å; L190-F212 PolarHBondContact O-N 2.95Å; F212-L214 HydrophobicContact CD1-CD2 4.16Å; F212-L214 HydrophobicContact CE1-CD2 4.19Å; F212-F217 HydrophobicContact CE1-CD1 4.35Å; F212-F217 VanDerWaalsContact CE2-C 3.49Å; F212-F217 HydrophobicContact CZ-CB 3.99Å; F212-F217 AromaticContact CZ-CD1 3.91Å; F212-F217 HydrophobicContact CZ-CD1 3.91Å; F212-F217 HydrophobicContact CZ-CG 4.18Å; F212-W219 HydrophobicContact CB-CD2 3.87Å; F212-W219 HydrophobicContact CB-CE3 3.67Å; F212-W219 HydrophobicContact CB-CH2 3.79Å; F212-W219 HydrophobicContact CB-CZ2 3.99Å; F212-W219 HydrophobicContact CB-CZ3 3.63Å; F212-W219 AromaticContact CD2-CD1 3.78Å; F212-W219 AromaticContact CD2-CD2 3.71Å; F212-W219 HydrophobicContact CD2-CD2 3.71Å; F212-W219 AromaticContact CD2-CE2 3.56Å; F212-W219 HydrophobicContact CD2-CE3 4.38Å; F212-W219 AromaticContact CD2-CG 3.86Å; F212-W219 HydrophobicContact CD2-CG 3.86Å; F212-W219 HydrophobicContact CD2-CZ2 4.14Å; F212-W219 AromaticContact CD2-NE1 3.56Å; F212-W219 HydrophobicContact CG-CD2 4.25Å; F212-W219 HydrophobicContact CG-CZ2 4.27Å
213S95.8Very high96.1Very high18 Ų1848.1 Ų48.113%0.12625%0.254CS..EExtended strand (participates in β ladder)trans-79.5122.3177173.90000110.6D215 S216 F217 T218S213-D215 PolarHBondContact O-N 3.12Å; S213-D215 PolarHBondContact OG-N 2.99Å; S213-S216 WeakPolarHBondContact CB-OG 3.19Å; S213-S216 PolarHBondContact OG-N 2.77Å; S213-S216 PolarHBondContact OG-OG 3.09Å; S213-F217 WeakPolarHBondContact O-CA 3.46Å; S213-F217 PolarHBondContact O-N 2.81Å; S213-T218 PolarHBondContact N-O 3.08Å
214L95.6Very high96.3Very high11 Ų1148.3 Ų48.36%0.05826%0.258CS..THydrogen-bonded Turntrans-75.7-13.4174.3-62.9172.7000112.6V128 W136 L185 R188 L190 F212 F217V128-L214 HydrophobicContact CG1-CD1 3.99Å; V128-L214 HydrophobicContact CG2-CD1 4.17Å; W136-L214 HydrophobicContact CD2-CD2 4.28Å; W136-L214 HydrophobicContact CH2-CD2 4Å; W136-L214 HydrophobicContact CZ2-CD2 3.52Å; L185-L214 HydrophobicContact CD1-CD1 3.66Å; R188-L214 WeakPolarHBondContact O-CB 2.92Å; R188-L214 PolarHBondContact O-N 3.11Å; L190-L214 HydrophobicContact CD1-CD2 4.18Å; L190-L214 HydrophobicContact CG-CD2 4.15Å; L190-L214 HydrophobicContact CG-CG 4.48Å; F212-L214 HydrophobicContact CD1-CD2 4.16Å; F212-L214 HydrophobicContact CE1-CD2 4.19Å; L214-F217 VanDerWaalsContact O-CE2 3.26Å; L214-F217 WeakPolarHBondContact O-CE2 3.41Å
215D93.6Very high96.3Very high90 Ų9047.6 Ų47.648%0.48126%0.26SS..THydrogen-bonded Turntrans-85-44.1177.1-63.3-36.3000111.5R188 S213R188-D215 VanDerWaalsContact CD-OD1 3.31Å; R188-D215 WeakPolarHBondContact CD-OD1 3.42Å; R188-D215 IonicContact CZ-OD1 3.75Å; R188-D215 IonicContact CZ-OD2 3.64Å; R188-D215 VanDerWaalsContact NE-CG 3.26Å; R188-D215 IonicContact NE-OD1 3.95Å; R188-D215 PolarHBondContact NE-OD1 3Å; R188-D215 IonicContact NE-OD2 3.68Å; R188-D215 PolarHBondContact NE-OD2 3.27Å; R188-D215 IonicContact NH2-OD1 3.33Å; R188-D215 IonicContact NH2-OD2 3.48Å; R188-D215 PolarHBondContact NH2-OD2 2.85Å; S213-D215 PolarHBondContact O-N 3.12Å; S213-D215 PolarHBondContact OG-N 2.99Å
216S94.8Very high96.1Very high68 Ų6848.9 Ų48.948%0.47628%0.282SS..THydrogen-bonded Turntrans-105.6-8.5-173.757.30000114S213 T218S213-S216 WeakPolarHBondContact CB-OG 3.19Å; S213-S216 PolarHBondContact OG-N 2.77Å; S213-S216 PolarHBondContact OG-OG 3.09Å; S216-T218 VanDerWaalsContact C-N 3.26Å; S216-T218 PolarHBondContact O-N 2.78Å; S216-T218 PolarHBondContact OG-OG1 2.86Å
217F95.6Very high96Very high89 Ų8953 Ų5339%0.3931%0.311SS..THydrogen-bonded Turntrans55.541.4-175.8-72-110.3000112.5W136 I169 V171 F212 S213 L214W136-F217 HydrophobicContact CH2-CD1 4.36Å; W136-F217 AromaticContact CH2-CE1 3.82Å; W136-F217 HydrophobicContact CH2-CE1 3.82Å; W136-F217 HydrophobicContact CZ2-CE1 4.38Å; I169-F217 HydrophobicContact CD1-CE1 4.48Å; I169-F217 HydrophobicContact CG2-CD1 4.43Å; V171-F217 WeakPolarHBondContact CG1-O 3.41Å; F212-F217 HydrophobicContact CE1-CD1 4.35Å; F212-F217 VanDerWaalsContact CE2-C 3.49Å; F212-F217 HydrophobicContact CZ-CB 3.99Å; F212-F217 AromaticContact CZ-CD1 3.91Å; F212-F217 HydrophobicContact CZ-CD1 3.91Å; F212-F217 HydrophobicContact CZ-CG 4.18Å; S213-F217 WeakPolarHBondContact O-CA 3.46Å; S213-F217 PolarHBondContact O-N 2.81Å; L214-F217 VanDerWaalsContact O-CE2 3.26Å; L214-F217 WeakPolarHBondContact O-CE2 3.41Å
218T96.9Very high95.9Very high74 Ų7450.4 Ų50.445%0.45430%0.302SS..EExtended strand (participates in β ladder)trans-124139.4-178.554.80000111.6S213 S216S213-T218 PolarHBondContact N-O 3.08Å; S216-T218 VanDerWaalsContact C-N 3.26Å; S216-T218 PolarHBondContact O-N 2.78Å; S216-T218 PolarHBondContact OG-OG1 2.86Å
219W97.8Very high95.9Very high22 Ų2249.5 Ų49.58%0.08330%0.297CS..EExtended strand (participates in β ladder)trans-80.8147.9167.5-73.3104.8000112F138 L156 V171 G173 A174 P175 V192 H210 A211 F212F138-W219 HydrophobicContact CD2-CH2 4.32Å; F138-W219 HydrophobicContact CD2-CZ2 4.1Å; F138-W219 HydrophobicContact CE2-CH2 4.44Å; F138-W219 HydrophobicContact CE2-CZ2 4.16Å; L156-W219 HydrophobicContact CB-CZ2 4.36Å; L156-W219 HydrophobicContact CD1-CZ2 4.2Å; L156-W219 HydrophobicContact CD2-CZ2 3.77Å; L156-W219 HydrophobicContact CG-CZ2 4.35Å; V171-W219 VanDerWaalsContact CG2-CD1 3.46Å; G173-W219 VanDerWaalsContact C-CB 3.47Å; G173-W219 WeakPolarHBondContact O-CB 3.15Å; A174-W219 HydrophobicContact CB-CG 4.37Å; P175-W219 HydrophobicContact CG-CE3 4.34Å; P175-W219 HydrophobicContact CG-CH2 4.22Å; P175-W219 HydrophobicContact CG-CZ3 4.02Å; V192-W219 HydrophobicContact CG2-CH2 3.85Å; V192-W219 HydrophobicContact CG2-CZ3 3.97Å; H210-W219 HydrophobicContact CB-CE3 3.98Å; H210-W219 HydrophobicContact CB-CZ3 3.95Å; A211-W219 CarbonylContact O-C 3.58Å; A211-W219 WeakPolarHBondContact O-CA 3.41Å; F212-W219 HydrophobicContact CB-CD2 3.87Å; F212-W219 HydrophobicContact CB-CE3 3.67Å; F212-W219 HydrophobicContact CB-CH2 3.79Å; F212-W219 HydrophobicContact CB-CZ2 3.99Å; F212-W219 HydrophobicContact CB-CZ3 3.63Å; F212-W219 AromaticContact CD2-CD1 3.78Å; F212-W219 AromaticContact CD2-CD2 3.71Å; F212-W219 HydrophobicContact CD2-CD2 3.71Å; F212-W219 AromaticContact CD2-CE2 3.56Å; F212-W219 HydrophobicContact CD2-CE3 4.38Å; F212-W219 AromaticContact CD2-CG 3.86Å; F212-W219 HydrophobicContact CD2-CG 3.86Å; F212-W219 HydrophobicContact CD2-CZ2 4.14Å; F212-W219 AromaticContact CD2-NE1 3.56Å; F212-W219 HydrophobicContact CG-CD2 4.25Å; F212-W219 HydrophobicContact CG-CZ2 4.27Å
220S95.5Very high95.9Very high50 Ų5051.5 Ų51.535%0.3531%0.312SS..EExtended strand (participates in β ladder)trans-140.9131.7168.658.80000109.4H210 A211H210-S220 CarbonylContact C-O 3.52Å; H210-S220 WeakPolarHBondContact CA-O 3.04Å; A211-S220 PolarHBondContact N-O 2.85Å; A211-S220 PolarHBondContact O-N 2.87Å; A211-S220 PolarHBondContact O-OG 3.03Å
221R96.3Very high95.9Very high173 Ų17353.5 Ų53.565%0.65333%0.326SS*.EExtended strand (participates in β ladder)trans-80.3120.7168.4-175177.1-179.11743108
222L94.8Very high95.9Very high20 Ų2053.5 Ų53.511%0.10533%0.326CS..EExtended strand (participates in β ladder)trans-80.6147.8177.7-55.4-174.3000109.8L191 V209 A211 P224 W284L191-L222 HydrophobicContact CD2-CD1 4.17Å; V209-L222 HydrophobicContact CB-CB 4.18Å; V209-L222 HydrophobicContact CG1-CB 4.31Å; V209-L222 HydrophobicContact CG1-CD1 3.79Å; V209-L222 HydrophobicContact CG1-CG 4.31Å; V209-L222 PolarHBondContact O-N 3.25Å; A211-L222 HydrophobicContact CB-CD1 4.03Å; A211-L222 HydrophobicContact CB-CD2 3.99Å; A211-L222 HydrophobicContact CB-CG 4.04Å; L222-P224 VanDerWaalsContact C-CD 3.45Å; L222-P224 HydrophobicContact CB-CG 4.35Å; L222-P224 WeakPolarHBondContact O-CD 3.3Å; L222-W284 HydrophobicContact CD1-CD2 3.86Å; L222-W284 VanDerWaalsContact CD1-CE2 3.47Å; L222-W284 HydrophobicContact CD1-CG 4.03Å; L222-W284 HydrophobicContact CD1-CZ2 3.86Å
223S94.2Very high95.9Very high115 Ų11554.1 Ų54.180%0.80433%0.33SS*.  trans-120.972.6172.7-63.60000109.6
224P95.4Very high95.9Very high28 Ų2855 Ų5518%0.18234%0.338CS..  trans-64.2142.4-179.3-1832.3000111.2V209 L222 L273 W284 W286V209-P224 HydrophobicContact CG2-CG 4.25Å; L222-P224 VanDerWaalsContact C-CD 3.45Å; L222-P224 HydrophobicContact CB-CG 4.35Å; L222-P224 WeakPolarHBondContact O-CD 3.3Å; P224-L273 HydrophobicContact CB-CD1 3.68Å; P224-L273 HydrophobicContact CG-CD1 3.69Å; P224-W284 CarbonylContact C-O 3.55Å; P224-W284 VanDerWaalsContact CA-O 3.28Å; P224-W284 WeakPolarHBondContact CA-O 3.14Å; P224-W284 HydrophobicContact CB-CB 3.78Å; P224-W284 HydrophobicContact CG-CB 3.94Å; P224-W286 HydrophobicContact CB-CG 4.32Å
225S95Very high96Very high66 Ų6654.5 Ų54.546%0.46234%0.336SS..BIsolated β-bridgetrans-79.8165.4170.561.20000111.3W284 L285 W286S225-W284 PolarHBondContact N-O 2.77Å; S225-W284 PolarHBondContact OG-O 2.9Å; S225-L285 WeakPolarHBondContact OG-CD1 3.48Å; S225-W286 PolarHBondContact O-N 2.99Å
226G93.7Very high96.1Very high55 Ų5551.1 Ų51.157%0.56732%0.317SS*.SBendtrans84.2-177.4-177.600000113.6
227T95.5Very high96.1Very high121 Ų12148.2 Ų48.274%0.74230%0.296SS*.  trans-95.9107.5-179.6-540000109.6
228G96.4Very high96.1Very high22 Ų2244.4 Ų44.423%0.22728%0.28CS..  trans-85.9-177.5176.300000113.9
229P97.4Very high95.9Very high2 Ų242.1 Ų42.11%0.01327%0.267CS..PPolyproline II helixtrans-62.8151.5175.3-6.216.4000112.2F193 N207 I248 F271 W286F193-P229 HydrophobicContact CE1-CG 4.36Å; F193-P229 HydrophobicContact CE2-CG 4.11Å; F193-P229 HydrophobicContact CZ-CB 3.84Å; F193-P229 HydrophobicContact CZ-CG 3.64Å; N207-P229 PolarHBondContact ND2-O 3.46Å; P229-I248 HydrophobicContact CG-CD1 4.27Å; P229-F271 HydrophobicContact CB-CD2 3.65Å; P229-F271 HydrophobicContact CB-CE2 3.61Å; P229-F271 HydrophobicContact CB-CG 4.26Å; P229-F271 HydrophobicContact CB-CZ 4.23Å; P229-F271 HydrophobicContact CG-CB 3.96Å; P229-F271 HydrophobicContact CG-CD1 4.34Å; P229-F271 HydrophobicContact CG-CD2 3.49Å; P229-F271 VanDerWaalsContact CG-CD2 3.49Å; P229-F271 HydrophobicContact CG-CE2 3.97Å; P229-F271 HydrophobicContact CG-CG 3.69Å; P229-W286 HydrophobicContact CG-CH2 4.25Å; P229-W286 HydrophobicContact CG-CZ3 4.19Å
230S97.1Very high95.6Very high47 Ų4741.9 Ų41.933%0.32927%0.268SS..PPolyproline II helixtrans-63.4159.1166.559.70000111.1R232 H267S230-R232 PolarHBondContact O-N 2.86Å; S230-R232 PolarHBondContact O-NE 3.18Å; S230-R232 PolarHBondContact OG-NH2 2.85Å; S230-H267 PolarHBondContact OG-CE1 3.03Å; S230-H267 PolarHBondContact OG-ND1 3.44Å
231P97.7Very high95.2Very high52 Ų5242.8 Ų42.834%0.33827%0.273SS..SBendtrans-47.4131.7169.1-29.637.8000112.9Y205 Y206 N207 S253Y205-P231 WeakPolarHBondContact O-CB 3.34Å; Y206-P231 WeakPolarHBondContact O-CA 3.28Å; N207-P231 HydrophobicContact CB-CG 4.29Å; P231-S253 VanDerWaalsContact O-CB 3.31Å; P231-S253 WeakPolarHBondContact O-CB 3.48Å
232R97.9Very high94.7Very high0 Ų039.6 Ų39.60%027%0.269CS..  trans-164.4154.5-176.362.3-170.970.2-167.2-3.8113F193 G195 Y206 S230 C235 G250 Y252 H267 D269F193-R232 HydrophobicContact CE1-CG 3.94Å; F193-R232 HydrophobicContact CZ-CG 4.4Å; G195-R232 PolarHBondContact N-O 2.5Å; Y206-R232 PolarHBondContact O-N 3.02Å; S230-R232 PolarHBondContact O-N 2.86Å; S230-R232 PolarHBondContact O-NE 3.18Å; S230-R232 PolarHBondContact OG-NH2 2.85Å; R232-C235 HydrophobicContact CG-CB 4.21Å; R232-G250 VanDerWaalsContact CD-O 3.28Å; R232-G250 WeakPolarHBondContact CD-O 3.24Å; R232-G250 PolarHBondContact NH1-O 2.79Å; R232-Y252 CarbonylContact C-O 3.5Å; R232-Y252 VanDerWaalsContact CA-O 3.27Å; R232-Y252 WeakPolarHBondContact CA-O 3.34Å; R232-H267 PolarHBondContact NH2-ND1 3.18Å; R232-D269 IonicContact CZ-OD1 2.73Å; R232-D269 IonicContact NH1-OD1 3.12Å; R232-D269 PolarHBondContact NH1-OD1 3.23Å; R232-D269 IonicContact NH2-OD1 3.35Å; R232-D269 PolarHBondContact NH2-OD1 3.47Å; R232-D269 VanDerWaalsContact NH2-OD1 3.12Å; R232-D269 IonicContact NH2-OD2 3.2Å; R232-D269 PolarHBondContact NH2-OD2 3.15Å
233S97.4Very high94.3Very high14 Ų1439.3 Ų39.310%0.09827%0.271CS..BIsolated β-bridgetrans-118.8176.7165.668.40000109.9G180 Y205 C235 G251 Y252G180-S233 CarbonylContact O-C 3.56Å; G180-S233 WeakPolarHBondContact O-CA 3.3Å; Y205-S233 WeakPolarHBondContact CE1-OG 3.39Å; S233-C235 PolarHBondContact O-N 2.91Å; S233-G251 CarbonylContact O-C 3.53Å; S233-G251 WeakPolarHBondContact O-CA 3.35Å; S233-Y252 PolarHBondContact N-O 3.39Å; S233-Y252 PolarHBondContact O-N 3.49Å
234A95.5Very high93.9Very high36 Ų3634.7 Ų34.730%0.29824%0.238SC..SBendtrans53.220.6178.400000114.3G180G180-A234 PolarHBondContact O-N 3.46Å
235C96.8Very high93.7Very high1 Ų133.3 Ų33.31%0.00723%0.23CC..  trans-78.1153.417366.90000110R232 S233 I248 G250R232-C235 HydrophobicContact CG-CB 4.21Å; S233-C235 PolarHBondContact O-N 2.91Å; C235-I248 HydrophobicContact CB-CG2 4.13Å; C235-G250 VanDerWaalsContact CB-O 3.25Å; C235-G250 WeakPolarHBondContact CB-O 3.46Å
236Q96.2Very high93.8Very high18 Ų1830.2 Ų30.28%0.08421%0.208CC..EExtended strand (participates in β ladder)trans-96.9139.5174.4-64.7-60.5-23.400110.6I248 Y249 F302 L304Q236-I248 CarbonylContact O-C 3.6Å; Q236-I248 VanDerWaalsContact O-CA 3.31Å; Q236-I248 WeakPolarHBondContact O-CA 3.21Å; Q236-Y249 PolarHBondContact N-O 2.73Å; Q236-Y249 PolarHBondContact O-N 3.32Å; Q236-F302 HydrophobicContact CB-CE2 3.87Å; Q236-F302 HydrophobicContact CB-CZ 4.49Å; Q236-F302 HydrophobicContact CG-CD2 3.65Å; Q236-F302 HydrophobicContact CG-CE2 3.2Å; Q236-F302 HydrophobicContact CG-CZ 3.96Å; Q236-F302 PolarHBondContact NE2-O 2.84Å; Q236-L304 HydrophobicContact CB-CB 3.92Å; Q236-L304 HydrophobicContact CB-CD1 4.43Å; Q236-L304 HydrophobicContact CB-CD2 3.97Å; Q236-L304 HydrophobicContact CB-CG 4.32Å; Q236-L304 HydrophobicContact CG-CB 3.74Å; Q236-L304 VanDerWaalsContact OE1-CB 3.31Å
237M95.8Very high93.9Very high7 Ų727.8 Ų27.83%0.03418%0.182CC..EExtended strand (participates in β ladder)trans-132.2136.8179.8-171.5169.760.100109.8R182 V184 L191 F193 V246 I247 I248R182-M237 VanDerWaalsContact C-CE 3.45Å; R182-M237 HydrophobicContact CB-CB 3.75Å; R182-M237 HydrophobicContact CB-CE 4.01Å; R182-M237 HydrophobicContact CG-CB 3.5Å; R182-M237 HydrophobicContact CG-CE 4.33Å; R182-M237 WeakPolarHBondContact O-CE 3.47Å; V184-M237 HydrophobicContact CB-CE 4.22Å; V184-M237 HydrophobicContact CG1-CB 4.07Å; V184-M237 HydrophobicContact CG1-CE 3.86Å; V184-M237 HydrophobicContact CG1-CG 3.98Å; V184-M237 VanDerWaalsContact CG1-O 3.29Å; V184-M237 WeakPolarHBondContact CG1-O 3.39Å; V184-M237 HydrophobicContact CG2-CE 3.77Å; V184-M237 HydrophobicContact CG2-CG 4.15Å; V184-M237 HydrophobicContact CG2-SD 4.24Å; L191-M237 VanDerWaalsContact O-CE 3.28Å; L191-M237 WeakPolarHBondContact O-CE 3.36Å; F193-M237 HydrophobicContact CB-CE 4.34Å; F193-M237 HydrophobicContact CB-SD 3.94Å; M237-V246 HydrophobicContact CG-CB 4Å; M237-V246 HydrophobicContact CG-CG2 4.24Å; M237-V246 HydrophobicContact SD-CB 4.21Å; M237-V246 HydrophobicContact SD-CG2 3.89Å; M237-I247 CarbonylContact C-O 3.58Å; M237-I247 VanDerWaalsContact CA-O 3.23Å; M237-I247 WeakPolarHBondContact CA-O 3.39Å; M237-I248 HydrophobicContact CB-CG1 4.25Å; M237-I248 HydrophobicContact CG-CG1 3.86Å; M237-I248 HydrophobicContact SD-CD1 4.31Å; M237-I248 HydrophobicContact SD-CG1 3.99Å
238T94.6Very high94Very high10 Ų1022 Ų226%0.06115%0.147CC..EExtended strand (participates in β ladder)trans-139145.3174.5179.80000110.7V246 I247 L304 V306 I340T238-V246 CarbonylContact O-C 3.58Å; T238-V246 VanDerWaalsContact O-CA 3.23Å; T238-V246 WeakPolarHBondContact O-CA 3.49Å; T238-I247 HydrophobicContact CG2-CB 4.14Å; T238-I247 PolarHBondContact N-O 3.4Å; T238-I247 PolarHBondContact O-N 3.42Å; T238-L304 HydrophobicContact CG2-CD2 4.47Å; T238-V306 WeakPolarHBondContact OG1-CG2 3.48Å; T238-I340 HydrophobicContact CG2-CD1 3.99Å
239S92.8Very high94Very high25 Ų2521.8 Ų21.818%0.17514%0.139CC..EExtended strand (participates in β ladder)trans-68.2148.1169.9-64.60000111.4L185 G245L185-S239 PolarHBondContact O-OG 3.4Å; S239-G245 WeakPolarHBondContact CA-O 3.38Å
240T91.4Very high94Very high17 Ų1721.7 Ų21.710%0.10414%0.138CC..  trans-67.8150168.356.10000109.8D242 G243 S244 G245 I247 L272T240-D242 VanDerWaalsContact CB-OD1 3.22Å; T240-D242 WeakPolarHBondContact CB-OD1 3.25Å; T240-D242 PolarHBondContact O-N 2.91Å; T240-D242 VanDerWaalsContact O-N 3.16Å; T240-D242 PolarHBondContact OG1-OD1 2.73Å; T240-G243 WeakPolarHBondContact O-CA 3.36Å; T240-G243 PolarHBondContact O-N 2.84Å; T240-S244 PolarHBondContact OG1-N 2.82Å; T240-G245 PolarHBondContact N-O 3.22Å; T240-G245 PolarHBondContact OG1-N 3.42Å; T240-G245 PolarHBondContact OG1-O 2.95Å; T240-I247 HydrophobicContact CG2-CG1 4.34Å; T240-L272 HydrophobicContact CG2-CD1 3.68Å
241P87.6Confident94Very high70 Ų7019.5 Ų19.546%0.45512%0.123SC..THydrogen-bonded Turntrans-58.9-29.3-177.6-29.637.8000114.6G243 I340P241-G243 VanDerWaalsContact C-N 3.27Å; P241-I340 HydrophobicContact CG-CB 4.34Å; P241-I340 HydrophobicContact CG-CG2 4.13Å
242D85.6Confident93.9Very high105 Ų10519 Ų1956%0.56112%0.115SC*.THydrogen-bonded Turntrans-82.2-2.6175.368-8.6000113.5T240 S244T240-D242 VanDerWaalsContact CB-OD1 3.22Å; T240-D242 WeakPolarHBondContact CB-OD1 3.25Å; T240-D242 PolarHBondContact O-N 2.91Å; T240-D242 VanDerWaalsContact O-N 3.16Å; T240-D242 PolarHBondContact OG1-OD1 2.73Å; D242-S244 PolarHBondContact O-N 2.93Å; D242-S244 VanDerWaalsContact O-N 3.15Å; D242-S244 WeakPolarHBondContact OD1-CB 3.49Å; D242-S244 PolarHBondContact OD1-N 3.28Å; D242-S244 PolarHBondContact OD1-OG 2.9Å; D242-S244 VanDerWaalsContact OD2-CB 3.28Å; D242-S244 WeakPolarHBondContact OD2-CB 3.5Å; D242-S244 PolarHBondContact OD2-OG 3.5Å
243G86Confident93.8Very high14 Ų1419.4 Ų19.414%0.14412%0.117CC..SBendtrans64.29.7-174.600000114.5S186 K187 T240 P241 G245S186-G243 PolarHBondContact OG-O 2.73Å; K187-G243 WeakPolarHBondContact CE-O 3.47Å; K187-G243 WeakPolarHBondContact CG-O 3.36Å; T240-G243 WeakPolarHBondContact O-CA 3.36Å; T240-G243 PolarHBondContact O-N 2.84Å; P241-G243 VanDerWaalsContact C-N 3.27Å; G243-G245 VanDerWaalsContact C-N 3.26Å; G243-G245 PolarHBondContact O-N 3.23Å
244S86.9Confident93.5Very high18 Ų1822.7 Ų22.713%0.12613%0.13CC..SBendtrans-76.6-11.4-177.174.10000113.9T240 D242 R275T240-S244 PolarHBondContact OG1-N 2.82Å; D242-S244 PolarHBondContact O-N 2.93Å; D242-S244 VanDerWaalsContact O-N 3.15Å; D242-S244 WeakPolarHBondContact OD1-CB 3.49Å; D242-S244 PolarHBondContact OD1-N 3.28Å; D242-S244 PolarHBondContact OD1-OG 2.9Å; D242-S244 VanDerWaalsContact OD2-CB 3.28Å; D242-S244 WeakPolarHBondContact OD2-CB 3.5Å; D242-S244 PolarHBondContact OD2-OG 3.5Å; S244-R275 WeakPolarHBondContact O-CB 3.21Å; S244-R275 WeakPolarHBondContact O-CG 3.38Å; S244-R275 PolarHBondContact O-N 2.88Å
245G91.4Very high93.2Very high0 Ų025.2 Ų25.20%014%0.141CC..EExtended strand (participates in β ladder)trans-169.3-166.5-178.200000113.5S239 T240 G243 L273S239-G245 WeakPolarHBondContact CA-O 3.38Å; T240-G245 PolarHBondContact N-O 3.22Å; T240-G245 PolarHBondContact OG1-N 3.42Å; T240-G245 PolarHBondContact OG1-O 2.95Å; G243-G245 VanDerWaalsContact C-N 3.26Å; G243-G245 PolarHBondContact O-N 3.23Å; G245-L273 CarbonylContact C-O 3.57Å; G245-L273 WeakPolarHBondContact CA-O 3.25Å
246V95.6Very high92.4Very high1 Ų129.7 Ų29.71%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-137.2147.6175.4-61.30000110.7V184 L191 M237 T238 L272 L273V184-V246 HydrophobicContact CG2-CB 4.34Å; V184-V246 HydrophobicContact CG2-CG1 3.37Å; L191-V246 HydrophobicContact CD1-CG1 3.72Å; L191-V246 HydrophobicContact CD1-CG2 4.33Å; M237-V246 HydrophobicContact CG-CB 4Å; M237-V246 HydrophobicContact CG-CG2 4.24Å; M237-V246 HydrophobicContact SD-CB 4.21Å; M237-V246 HydrophobicContact SD-CG2 3.89Å; T238-V246 CarbonylContact O-C 3.58Å; T238-V246 VanDerWaalsContact O-CA 3.23Å; T238-V246 WeakPolarHBondContact O-CA 3.49Å; V246-L272 WeakPolarHBondContact O-CA 3.14Å; V246-L273 HydrophobicContact CG2-CB 3.71Å; V246-L273 HydrophobicContact CG2-CD2 4.07Å; V246-L273 HydrophobicContact CG2-CG 4.37Å; V246-L273 PolarHBondContact N-O 2.8Å; V246-L273 PolarHBondContact O-N 2.92Å
247I96.3Very high91.3Very high4 Ų431.5 Ų31.52%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-104.1135.7171.8-64.9178.4000108.1M237 T238 T240 M270 F271 L272 Y338 I340M237-I247 CarbonylContact C-O 3.58Å; M237-I247 VanDerWaalsContact CA-O 3.23Å; M237-I247 WeakPolarHBondContact CA-O 3.39Å; T238-I247 HydrophobicContact CG2-CB 4.14Å; T238-I247 PolarHBondContact N-O 3.4Å; T238-I247 PolarHBondContact O-N 3.42Å; T240-I247 HydrophobicContact CG2-CG1 4.34Å; I247-M270 HydrophobicContact CG2-CG 3.58Å; I247-M270 HydrophobicContact CG2-SD 3.51Å; I247-M270 VanDerWaalsContact CG2-SD 3.51Å; I247-F271 CarbonylContact C-O 3.53Å; I247-F271 VanDerWaalsContact CA-O 3.29Å; I247-F271 WeakPolarHBondContact CA-O 3.38Å; I247-L272 HydrophobicContact CG1-CD1 4.05Å; I247-Y338 HydrophobicContact CD1-CE1 3.98Å; I247-I340 HydrophobicContact CD1-CG2 3.55Å
248I97.6Very high90.2Very high0 Ų040.2 Ų40.20%022%0.217CC..EExtended strand (participates in β ladder)trans-117.2133.4173.4-64.2163.8000108.4F193 P229 C235 Q236 M237 M270 F271 W286F193-I248 HydrophobicContact CB-CD1 4.16Å; F193-I248 HydrophobicContact CD1-CD1 3.5Å; F193-I248 VanDerWaalsContact CD1-CD1 3.5Å; F193-I248 HydrophobicContact CD1-CG1 4.26Å; F193-I248 HydrophobicContact CD1-CG2 4.25Å; F193-I248 HydrophobicContact CD2-CD1 3.87Å; F193-I248 HydrophobicContact CE1-CD1 3.8Å; F193-I248 HydrophobicContact CE1-CG2 3.99Å; F193-I248 HydrophobicContact CE2-CD1 4.12Å; F193-I248 HydrophobicContact CG-CD1 3.53Å; F193-I248 HydrophobicContact CZ-CD1 4.1Å; P229-I248 HydrophobicContact CG-CD1 4.27Å; C235-I248 HydrophobicContact CB-CG2 4.13Å; Q236-I248 CarbonylContact O-C 3.6Å; Q236-I248 VanDerWaalsContact O-CA 3.31Å; Q236-I248 WeakPolarHBondContact O-CA 3.21Å; M237-I248 HydrophobicContact CB-CG1 4.25Å; M237-I248 HydrophobicContact CG-CG1 3.86Å; M237-I248 HydrophobicContact SD-CD1 4.31Å; M237-I248 HydrophobicContact SD-CG1 3.99Å; I248-M270 CarbonylContact O-C 3.44Å; I248-M270 VanDerWaalsContact O-CA 3.26Å; I248-M270 WeakPolarHBondContact O-CA 3.38Å; I248-M270 WeakPolarHBondContact O-CG 3.09Å; I248-F271 PolarHBondContact N-O 3.45Å; I248-F271 PolarHBondContact O-N 2.96Å; I248-W286 HydrophobicContact CD1-CH2 3.31Å; I248-W286 HydrophobicContact CD1-CZ2 4.4Å; I248-W286 HydrophobicContact CD1-CZ3 3.76Å
249Y97.5Very high88.6Confident17 Ų1749 Ų497%0.06725%0.254CS..EExtended strand (participates in β ladder)trans-135134179.8177.1-116000111.4Q236 D269 M270 P296 F302 L314 W345Q236-Y249 PolarHBondContact N-O 2.73Å; Q236-Y249 PolarHBondContact O-N 3.32Å; Y249-D269 WeakPolarHBondContact CD2-O 3.37Å; Y249-M270 HydrophobicContact CD2-CB 4.05Å; Y249-M270 HydrophobicContact CD2-CG 4.42Å; Y249-M270 HydrophobicContact CD2-SD 4.47Å; Y249-P296 HydrophobicContact CE1-CG 4.34Å; Y249-P296 WeakPolarHBondContact OH-CG 3.23Å; Y249-F302 AromaticContact CD1-CE2 3.85Å; Y249-F302 HydrophobicContact CD1-CE2 3.85Å; Y249-F302 AromaticContact CD1-CZ 3.62Å; Y249-F302 HydrophobicContact CD1-CZ 3.62Å; Y249-F302 HydrophobicContact CE1-CE1 4.46Å; Y249-F302 HydrophobicContact CE1-CE2 4.06Å; Y249-F302 AromaticContact CE1-CZ 3.69Å; Y249-F302 HydrophobicContact CE1-CZ 3.69Å; Y249-L314 HydrophobicContact CD1-CD1 4.29Å; Y249-L314 HydrophobicContact CE1-CD1 3.78Å; Y249-W345 HydrophobicContact CD1-CH2 4.19Å; Y249-W345 AromaticContact CD1-CZ2 3.92Å; Y249-W345 HydrophobicContact CD1-CZ2 3.92Å; Y249-W345 HydrophobicContact CD2-CZ2 4.43Å; Y249-W345 HydrophobicContact CE1-CH2 4.06Å; Y249-W345 AromaticContact CE1-CZ2 3.81Å; Y249-W345 HydrophobicContact CE1-CZ2 3.81Å; Y249-W345 HydrophobicContact CE2-CZ2 4.34Å; Y249-W345 HydrophobicContact CG-CZ2 4.23Å
250G96.8Very high87.3Confident0 Ų055.7 Ų55.70%029%0.288CS..  trans65.8-146.4170.900000114.7R232 C235 H267 D269R232-G250 VanDerWaalsContact CD-O 3.28Å; R232-G250 WeakPolarHBondContact CD-O 3.24Å; R232-G250 PolarHBondContact NH1-O 2.79Å; C235-G250 VanDerWaalsContact CB-O 3.25Å; C235-G250 WeakPolarHBondContact CB-O 3.46Å; G250-H267 WeakPolarHBondContact CA-O 3.48Å; G250-D269 PolarHBondContact N-O 3.4Å; G250-D269 VanDerWaalsContact N-O 3.15Å
251G96.6Very high86.4Confident0 Ų059.1 Ų59.10%031%0.308CS..  trans104.5-174.2-175.600000112.9S233 H267S233-G251 CarbonylContact O-C 3.53Å; S233-G251 WeakPolarHBondContact O-CA 3.35Å; G251-H267 WeakPolarHBondContact O-CB 3.12Å; G251-H267 PolarHBondContact O-N 2.8Å
252Y96.3Very high86.2Confident42 Ų4259.9 Ų59.917%0.16531%0.306CS..EExtended strand (participates in β ladder)trans-136.7151.4-175.4179.7-99.9000111Y205 R232 S233 K254 G264 T265 I266Y205-Y252 HydrophobicContact CE1-CD1 4.48Å; R232-Y252 CarbonylContact C-O 3.5Å; R232-Y252 VanDerWaalsContact CA-O 3.27Å; R232-Y252 WeakPolarHBondContact CA-O 3.34Å; S233-Y252 PolarHBondContact N-O 3.39Å; S233-Y252 PolarHBondContact O-N 3.49Å; Y252-K254 HydrophobicContact CE1-CD 4.08Å; Y252-K254 HydrophobicContact CE1-CG 3.53Å; Y252-K254 WeakPolarHBondContact OH-CE 3.41Å; Y252-K254 WeakPolarHBondContact OH-CG 3.08Å; Y252-G264 WeakPolarHBondContact OH-CA 3.42Å; Y252-T265 WeakPolarHBondContact CA-O 3.44Å; Y252-I266 HydrophobicContact CD2-CG1 4Å; Y252-I266 HydrophobicContact CE2-CG1 4.41Å
253S95.3Very high86.3Confident8 Ų861.5 Ų61.56%0.05631%0.308CS..EExtended strand (participates in β ladder)trans-150.1143.2169640000111.1P231 G264 T265 H267P231-S253 VanDerWaalsContact O-CB 3.31Å; P231-S253 WeakPolarHBondContact O-CB 3.48Å; S253-G264 CarbonylContact O-C 3.6Å; S253-T265 PolarHBondContact N-O 3.1Å; S253-T265 PolarHBondContact O-N 3.06Å; S253-H267 PolarHBondContact OG-NE2 2.85Å
254K91.7Very high86.4Confident83 Ų8362.1 Ų62.136%0.36131%0.314SS..EExtended strand (participates in β ladder)trans-99.9145.9163.5-69174.8-178.9-178.30109.9F203 Y205 Y252 K263F203-K254 HydrophobicContact CE2-CB 3.85Å; F203-K254 WeakPolarHBondContact CE2-O 3.46Å; F203-K254 HydrophobicContact CZ-CB 3.85Å; Y205-K254 HydrophobicContact CE2-CB 3.95Å; Y205-K254 VanDerWaalsContact CZ-N 3.33Å; Y205-K254 PolarHBondContact OH-N 2.9Å; Y252-K254 HydrophobicContact CE1-CD 4.08Å; Y252-K254 HydrophobicContact CE1-CG 3.53Å; Y252-K254 WeakPolarHBondContact OH-CE 3.41Å; Y252-K254 WeakPolarHBondContact OH-CG 3.08Å; K254-K263 WeakPolarHBondContact CA-O 3.16Å
255V87.8Confident86.7Confident89 Ų8963.8 Ų63.854%0.53932%0.324SS..EExtended strand (participates in β ladder)trans-127.8129.7169.2-175.60000108.2A257 K263V255-A257 PolarHBondContact O-N 3.22Å; V255-A257 VanDerWaalsContact O-N 3.13Å; V255-K263 PolarHBondContact N-O 2.88Å; V255-K263 PolarHBondContact O-N 3.4Å
256K81.9Confident86.9Confident95 Ų9565.7 Ų65.741%0.41333%0.334SS..EExtended strand (participates in β ladder)trans-64.1111.7169.7-68.1-179175.4172.80108.7R201 D202 F203R201-K256 PolarHBondContact O-NZ 3.44Å; R201-K256 VanDerWaalsContact O-NZ 3.1Å; D202-K256 WeakPolarHBondContact OD1-CE 3.31Å; D202-K256 IonicContact OD1-NZ 2.67Å; D202-K256 PolarHBondContact OD1-NZ 2.98Å; F203-K256 HydrophobicContact CE1-CD 4.4Å; F203-K256 VanDerWaalsContact CE1-CE 3.49Å; F203-K256 HydrophobicContact CE1-CG 4.07Å; F203-K256 HydrophobicContact CZ-CD 4.47Å; F203-K256 HydrophobicContact CZ-CG 3.77Å
257A73Confident87Confident57 Ų5766.5 Ų66.547%0.47134%0.337SS..  trans-79.8-148.6174.900000109.8V255 V261V255-A257 PolarHBondContact O-N 3.22Å; V255-A257 VanDerWaalsContact O-N 3.13Å; A257-V261 WeakPolarHBondContact CA-O 3.33Å; A257-V261 HydrophobicContact CB-CB 4.33Å; A257-V261 HydrophobicContact CB-CG1 4.43Å; A257-V261 WeakPolarHBondContact CB-O 3.16Å; A257-V261 PolarHBondContact N-O 3.13Å
258K72.3Confident86.9Confident190 Ų19068.8 Ų68.883%0.82635%0.353SS*.SBendtrans-60.4159.4172.4-67.1176.6-177.2171.40109.5D260 V261K258-D260 PolarHBondContact O-N 3.37Å; K258-D260 VanDerWaalsContact O-N 3.16Å; K258-V261 PolarHBondContact O-N 3.41Å
259K61.3Low86.9Confident194 Ų19470.2 Ų70.284%0.84336%0.361SS*.THydrogen-bonded Turntrans-28.7115.8-175.2-88.3-170.2170-1680112.9V261K259-V261 VanDerWaalsContact C-N 3.3Å; K259-V261 PolarHBondContact O-N 2.96Å
260D64.4Low86.9Confident166 Ų16669.6 Ų69.689%0.88836%0.359SS*.THydrogen-bonded Turntrans67.115.6171.2-45.6-36.4000116.4K258K258-D260 PolarHBondContact O-N 3.37Å; K258-D260 VanDerWaalsContact O-N 3.16Å
261V73.7Confident86.9Confident88 Ų8870.1 Ų70.153%0.53336%0.361SS..  trans-110.6120.2169.3-177.50000109.2A257 K258 K259A257-V261 WeakPolarHBondContact CA-O 3.33Å; A257-V261 HydrophobicContact CB-CB 4.33Å; A257-V261 HydrophobicContact CB-CG1 4.43Å; A257-V261 WeakPolarHBondContact CB-O 3.16Å; A257-V261 PolarHBondContact N-O 3.13Å; K258-V261 PolarHBondContact O-N 3.41Å; K259-V261 VanDerWaalsContact C-N 3.3Å; K259-V261 PolarHBondContact O-N 2.96Å
262E83.4Confident86.9Confident87 Ų8771.3 Ų71.341%0.40737%0.367SS..EExtended strand (participates in β ladder)trans-97.2139.9170.9-59-167.617000109.1F203F203-E262 WeakPolarHBondContact CE1-OE1 3.41Å
263K86.1Confident87Confident139 Ų13969.4 Ų69.460%0.60436%0.36SS*.EExtended strand (participates in β ladder)trans-118.5113.3175.2-176.8170.5-179.4170.50109.9K254 V255K254-K263 WeakPolarHBondContact CA-O 3.16Å; V255-K263 PolarHBondContact N-O 2.88Å; V255-K263 PolarHBondContact O-N 3.4Å
264G89.8Confident86.9Confident26 Ų2673.7 Ų73.727%0.26838%0.377SS..EExtended strand (participates in β ladder)trans-67.2149.216800000111.8Y252 S253Y252-G264 WeakPolarHBondContact OH-CA 3.42Å; S253-G264 CarbonylContact O-C 3.6Å
265T93.3Very high86.8Confident54 Ų5471.3 Ų71.333%0.33137%0.366SS..EExtended strand (participates in β ladder)trans-142.6112.5172.6-62.10000108.6Y252 S253Y252-T265 WeakPolarHBondContact CA-O 3.44Å; S253-T265 PolarHBondContact N-O 3.1Å; S253-T265 PolarHBondContact O-N 3.06Å
266I95.1Very high86.5Confident40 Ų4071.8 Ų71.821%0.20537%0.366CS..EExtended strand (participates in β ladder)trans-77.1122.2166.4-62173.5000107.9Y252 A298 R299Y252-I266 HydrophobicContact CD2-CG1 4Å; Y252-I266 HydrophobicContact CE2-CG1 4.41Å; I266-A298 HydrophobicContact CG2-CB 4.06Å; I266-R299 WeakPolarHBondContact CG2-O 3.46Å
267H96.5Very high85.8Confident18 Ų1870.2 Ų70.28%0.08338%0.377CS..  trans-87.2137.9176-63.1-76.2000109.5S230 R232 G250 G251 S253S230-H267 PolarHBondContact OG-CE1 3.03Å; S230-H267 PolarHBondContact OG-ND1 3.44Å; R232-H267 PolarHBondContact NH2-ND1 3.18Å; G250-H267 WeakPolarHBondContact CA-O 3.48Å; G251-H267 WeakPolarHBondContact O-CB 3.12Å; G251-H267 PolarHBondContact O-N 2.8Å; S253-H267 PolarHBondContact OG-NE2 2.85Å
268S95.8Very high85.2Confident51 Ų5176.6 Ų76.636%0.35739%0.394SS..  trans-129.714.4173.9800000112.1
269D96.7Very high84.5Confident30 Ų3076.6 Ų76.616%0.1640%0.397CS..  trans-87160.6177.955.9-1.7000111.2R232 Y249 G250 F271R232-D269 IonicContact CZ-OD1 2.73Å; R232-D269 IonicContact NH1-OD1 3.12Å; R232-D269 PolarHBondContact NH1-OD1 3.23Å; R232-D269 IonicContact NH2-OD1 3.35Å; R232-D269 PolarHBondContact NH2-OD1 3.47Å; R232-D269 VanDerWaalsContact NH2-OD1 3.12Å; R232-D269 IonicContact NH2-OD2 3.2Å; R232-D269 PolarHBondContact NH2-OD2 3.15Å; Y249-D269 WeakPolarHBondContact CD2-O 3.37Å; G250-D269 PolarHBondContact N-O 3.4Å; G250-D269 VanDerWaalsContact N-O 3.15Å; D269-F271 HydrophobicContact CB-CE2 3.97Å; D269-F271 HydrophobicContact CB-CZ 4.47Å; D269-F271 WeakPolarHBondContact OD2-CE2 3.44Å; D269-F271 WeakPolarHBondContact OD2-CZ 3.46Å
270M97.1Very high84.2Confident4 Ų476.8 Ų76.82%0.0240%0.401CS..EExtended strand (participates in β ladder)trans-131.7139.3-178.4-169.4162.438.900110.6I247 I248 Y249 V289 P291 Y338I247-M270 HydrophobicContact CG2-CG 3.58Å; I247-M270 HydrophobicContact CG2-SD 3.51Å; I247-M270 VanDerWaalsContact CG2-SD 3.51Å; I248-M270 CarbonylContact O-C 3.44Å; I248-M270 VanDerWaalsContact O-CA 3.26Å; I248-M270 WeakPolarHBondContact O-CA 3.38Å; I248-M270 WeakPolarHBondContact O-CG 3.09Å; Y249-M270 HydrophobicContact CD2-CB 4.05Å; Y249-M270 HydrophobicContact CD2-CG 4.42Å; Y249-M270 HydrophobicContact CD2-SD 4.47Å; M270-V289 HydrophobicContact CB-CB 4.24Å; M270-V289 HydrophobicContact CE-CB 4.25Å; M270-V289 HydrophobicContact CE-CG1 3.86Å; M270-V289 HydrophobicContact CG-CB 4.1Å; M270-V289 PolarHBondContact O-N 2.97Å; M270-P291 HydrophobicContact CE-CB 3.43Å; M270-P291 VanDerWaalsContact CE-CB 3.43Å; M270-P291 HydrophobicContact CE-CG 3.22Å; M270-Y338 HydrophobicContact CE-CE1 4.45Å; M270-Y338 HydrophobicContact CE-CE2 3.74Å; M270-Y338 WeakPolarHBondContact CE-OH 3.36Å; M270-Y338 HydrophobicContact SD-CE1 3.9Å; M270-Y338 HydrophobicContact SD-CE2 4.2Å; M270-Y338 VanDerWaalsContact SD-CZ 3.6Å; M270-Y338 PolarHBondContact SD-OH 2.95Å; M270-Y338 VanDerWaalsContact SD-OH 3.39Å
271F97.8Very high84Confident11 Ų1175.5 Ų75.55%0.04839%0.389CS..EExtended strand (participates in β ladder)trans-133.1146.9-179.2-62.2-96.1000110.6P229 I247 I248 D269 W286 S287 R288P229-F271 HydrophobicContact CB-CD2 3.65Å; P229-F271 HydrophobicContact CB-CE2 3.61Å; P229-F271 HydrophobicContact CB-CG 4.26Å; P229-F271 HydrophobicContact CB-CZ 4.23Å; P229-F271 HydrophobicContact CG-CB 3.96Å; P229-F271 HydrophobicContact CG-CD1 4.34Å; P229-F271 HydrophobicContact CG-CD2 3.49Å; P229-F271 VanDerWaalsContact CG-CD2 3.49Å; P229-F271 HydrophobicContact CG-CE2 3.97Å; P229-F271 HydrophobicContact CG-CG 3.69Å; I247-F271 CarbonylContact C-O 3.53Å; I247-F271 VanDerWaalsContact CA-O 3.29Å; I247-F271 WeakPolarHBondContact CA-O 3.38Å; I248-F271 PolarHBondContact N-O 3.45Å; I248-F271 PolarHBondContact O-N 2.96Å; D269-F271 HydrophobicContact CB-CE2 3.97Å; D269-F271 HydrophobicContact CB-CZ 4.47Å; D269-F271 WeakPolarHBondContact OD2-CE2 3.44Å; D269-F271 WeakPolarHBondContact OD2-CZ 3.46Å; F271-W286 HydrophobicContact CB-CE3 3.9Å; F271-W286 HydrophobicContact CB-CZ3 3.88Å; F271-S287 CarbonylContact C-O 3.54Å; F271-S287 WeakPolarHBondContact CA-O 3.37Å; F271-R288 HydrophobicContact CD1-CB 4.29Å; F271-R288 HydrophobicContact CE1-CB 4.23Å; F271-R288 HydrophobicContact CE1-CG 4.27Å
272L96.6Very high84Confident26 Ų2675.5 Ų75.514%0.13638%0.383CS..EExtended strand (participates in β ladder)trans-111121.4170.9169.366.3000108.2T240 V246 I247 K274 S287 V289T240-L272 HydrophobicContact CG2-CD1 3.68Å; V246-L272 WeakPolarHBondContact O-CA 3.14Å; I247-L272 HydrophobicContact CG1-CD1 4.05Å; L272-K274 HydrophobicContact CG-CB 4.3Å; L272-S287 PolarHBondContact N-O 2.97Å; L272-S287 PolarHBondContact O-N 3.05Å; L272-S287 PolarHBondContact O-OG 3.26Å; L272-V289 HydrophobicContact CB-CG2 3.61Å
273L96.9Very high84.3Confident1 Ų177.1 Ų77.11%0.00539%0.389CS..EExtended strand (participates in β ladder)trans-95.7113.6165.4-176.858.3000108.3V209 P224 G245 V246 W284 W286V209-L273 HydrophobicContact CG1-CD2 3.82Å; V209-L273 HydrophobicContact CG2-CD2 4.11Å; P224-L273 HydrophobicContact CB-CD1 3.68Å; P224-L273 HydrophobicContact CG-CD1 3.69Å; G245-L273 CarbonylContact C-O 3.57Å; G245-L273 WeakPolarHBondContact CA-O 3.25Å; V246-L273 HydrophobicContact CG2-CB 3.71Å; V246-L273 HydrophobicContact CG2-CD2 4.07Å; V246-L273 HydrophobicContact CG2-CG 4.37Å; V246-L273 PolarHBondContact N-O 2.8Å; V246-L273 PolarHBondContact O-N 2.92Å; L273-W284 HydrophobicContact CD1-CB 4.04Å; L273-W284 HydrophobicContact CD1-CE3 3.94Å; L273-W284 HydrophobicContact CD2-CE3 3.99Å; L273-W284 HydrophobicContact CD2-CZ3 4.14Å; L273-W284 HydrophobicContact CG-CE3 3.56Å; L273-W284 HydrophobicContact CG-CZ3 3.92Å; L273-W286 HydrophobicContact CB-CD2 4.39Å; L273-W286 HydrophobicContact CB-CE3 3.82Å; L273-W286 HydrophobicContact CB-CH2 3.58Å; L273-W286 HydrophobicContact CB-CZ2 4.22Å; L273-W286 HydrophobicContact CB-CZ3 3.41Å; L273-W286 VanDerWaalsContact CB-CZ3 3.41Å; L273-W286 HydrophobicContact CD1-CD2 3.89Å; L273-W286 HydrophobicContact CD1-CE3 4.19Å; L273-W286 HydrophobicContact CD1-CG 4.39Å; L273-W286 HydrophobicContact CD1-CH2 4.19Å; L273-W286 HydrophobicContact CD1-CZ2 3.96Å; L273-W286 HydrophobicContact CD1-CZ3 4.36Å; L273-W286 HydrophobicContact CD2-CH2 3.97Å; L273-W286 HydrophobicContact CD2-CZ2 4.05Å; L273-W286 HydrophobicContact CG-CH2 4.1Å; L273-W286 HydrophobicContact CG-CZ2 4.29Å; L273-W286 HydrophobicContact CG-CZ3 4.31Å
274K93.6Very high84.6Confident98 Ų9870.9 Ų70.943%0.42636%0.362SS..EExtended strand (participates in β ladder)trans-118.5143.4-178.1-165.3177.9179175.90111.4L272 W284 L285L272-K274 HydrophobicContact CG-CB 4.3Å; K274-W284 WeakPolarHBondContact O-CA 3.5Å; K274-L285 PolarHBondContact N-O 2.85Å; K274-L285 PolarHBondContact O-N 2.91Å
275R90.3Very high84.9Confident34 Ų3473 Ų7313%0.12837%0.366CS..EExtended strand (participates in β ladder)trans-72.5132167.2-62.9-175-151.5-153-2.3109.9S186 S244 E282 K283 W284S186-R275 PolarHBondContact O-NH2 3.31Å; S186-R275 PolarHBondContact OG-NH2 2.83Å; S244-R275 WeakPolarHBondContact O-CB 3.21Å; S244-R275 WeakPolarHBondContact O-CG 3.38Å; S244-R275 PolarHBondContact O-N 2.88Å; R275-E282 IonicContact CZ-OE1 3.74Å; R275-E282 IonicContact NH1-OE1 3.87Å; R275-E282 PolarHBondContact NH1-OE1 2.98Å; R275-K283 CarbonylContact C-O 3.54Å; R275-K283 WeakPolarHBondContact CA-O 3.48Å; R275-W284 HydrophobicContact CG-CD2 3.93Å; R275-W284 HydrophobicContact CG-CE3 3.67Å; R275-W284 HydrophobicContact CG-CH2 3.26Å; R275-W284 HydrophobicContact CG-CZ2 3.46Å; R275-W284 VanDerWaalsContact CG-CZ2 3.46Å; R275-W284 HydrophobicContact CG-CZ3 3.36Å
276D80.7Confident85.1Confident99 Ų9971.3 Ų71.353%0.52935%0.354SS..EExtended strand (participates in β ladder)trans-122.5135.1174.6-169.624.8000109.1K283D276-K283 HydrophobicContact CB-CB 4.45Å; D276-K283 PolarHBondContact N-O 2.62Å; D276-K283 WeakPolarHBondContact O-CA 3.15Å; D276-K283 WeakPolarHBondContact O-CB 3.34Å; D276-K283 PolarHBondContact O-N 2.93Å; D276-K283 VanDerWaalsContact O-O 3.11Å
277G67.4Low85.2Confident62 Ų6271.6 Ų71.664%0.63936%0.36SS*.SBendtrans103.8172.2-178.300000116.6
278K61.1Low85.2Confident190 Ų19078.9 Ų78.983%0.82639%0.386SS*.  trans-89.5158.5174.2-65.9-177179.6-1790110E280 Q281K278-E280 PolarHBondContact O-N 2.98Å; K278-Q281 PolarHBondContact O-N 3.49Å; K278-Q281 VanDerWaalsContact O-N 3.08Å
279E57.1Low85.1Confident191 Ų19177.2 Ų77.289%0.89337%0.374SS*.THydrogen-bonded Turntrans-45.5-25.7-166.8-66.2179.7161.700117.1
280E54.8Low85Confident198 Ų19880.8 Ų80.893%0.92540%0.401SS*.THydrogen-bonded Turntrans-81.7-12.6-176.7-65.9177.716900114.6K278K278-E280 PolarHBondContact O-N 2.98Å
281Q61.2Low84.9Confident139 Ų13982.5 Ų82.565%0.6541%0.413SS*.SBendtrans-148.276.6177.3-141.6170.75100110.3K278 K283K278-Q281 PolarHBondContact O-N 3.49Å; K278-Q281 VanDerWaalsContact O-N 3.08Å; Q281-K283 PolarHBondContact O-N 3.4Å
282E72.8Confident84.8Confident88 Ų8884.9 Ų84.941%0.41143%0.431SS..  trans-60.2104.3177-69.6-163.6135.500110.2Q189 R275Q189-E282 PolarHBondContact NE2-OE2 2.74Å; Q189-E282 VanDerWaalsContact NE2-OE2 3.08Å; R275-E282 IonicContact CZ-OE1 3.74Å; R275-E282 IonicContact NH1-OE1 3.87Å; R275-E282 PolarHBondContact NH1-OE1 2.98Å
283K89.1Confident84.7Confident120 Ų12085.9 Ų85.952%0.52245%0.447SS..EExtended strand (participates in β ladder)trans-98.2150.6167.9-65.9-179.7-176.8176.10108.8R275 D276 Q281R275-K283 CarbonylContact C-O 3.54Å; R275-K283 WeakPolarHBondContact CA-O 3.48Å; D276-K283 HydrophobicContact CB-CB 4.45Å; D276-K283 PolarHBondContact N-O 2.62Å; D276-K283 WeakPolarHBondContact O-CA 3.15Å; D276-K283 WeakPolarHBondContact O-CB 3.34Å; D276-K283 PolarHBondContact O-N 2.93Å; D276-K283 VanDerWaalsContact O-O 3.11Å; Q281-K283 PolarHBondContact O-N 3.4Å
284W93.6Very high84.5Confident9 Ų989.4 Ų89.43%0.03447%0.472CS..EExtended strand (participates in β ladder)trans-123.2140.4179.9-70.289.3000109.5L191 L222 P224 S225 L273 K274 R275L191-W284 HydrophobicContact CD1-CH2 3.62Å; L191-W284 HydrophobicContact CD1-CZ2 4.49Å; L191-W284 HydrophobicContact CD1-CZ3 4.09Å; L191-W284 HydrophobicContact CD2-CH2 4.15Å; L191-W284 HydrophobicContact CD2-CZ2 4.24Å; L222-W284 HydrophobicContact CD1-CD2 3.86Å; L222-W284 VanDerWaalsContact CD1-CE2 3.47Å; L222-W284 HydrophobicContact CD1-CG 4.03Å; L222-W284 HydrophobicContact CD1-CZ2 3.86Å; P224-W284 CarbonylContact C-O 3.55Å; P224-W284 VanDerWaalsContact CA-O 3.28Å; P224-W284 WeakPolarHBondContact CA-O 3.14Å; P224-W284 HydrophobicContact CB-CB 3.78Å; P224-W284 HydrophobicContact CG-CB 3.94Å; S225-W284 PolarHBondContact N-O 2.77Å; S225-W284 PolarHBondContact OG-O 2.9Å; L273-W284 HydrophobicContact CD1-CB 4.04Å; L273-W284 HydrophobicContact CD1-CE3 3.94Å; L273-W284 HydrophobicContact CD2-CE3 3.99Å; L273-W284 HydrophobicContact CD2-CZ3 4.14Å; L273-W284 HydrophobicContact CG-CE3 3.56Å; L273-W284 HydrophobicContact CG-CZ3 3.92Å; K274-W284 WeakPolarHBondContact O-CA 3.5Å; R275-W284 HydrophobicContact CG-CD2 3.93Å; R275-W284 HydrophobicContact CG-CE3 3.67Å; R275-W284 HydrophobicContact CG-CH2 3.26Å; R275-W284 HydrophobicContact CG-CZ2 3.46Å; R275-W284 VanDerWaalsContact CG-CZ2 3.46Å; R275-W284 HydrophobicContact CG-CZ3 3.36Å
285L95.8Very high84.5Confident69 Ų6990.8 Ų90.836%0.36148%0.478SS..EExtended strand (participates in β ladder)trans-130.4127.1-177.417966.7000110.3S225 K274S225-L285 WeakPolarHBondContact OG-CD1 3.48Å; K274-L285 PolarHBondContact N-O 2.85Å; K274-L285 PolarHBondContact O-N 2.91Å
286W97.6Very high84.8Confident20 Ų2089.2 Ų89.28%0.07647%0.472CS..EExtended strand (participates in β ladder)trans-82.6137.3165.6-75.8119.9000111.3F193 V209 P224 S225 P229 I248 F271 L273F193-W286 HydrophobicContact CD2-CH2 4.4Å; F193-W286 HydrophobicContact CD2-CZ2 4.3Å; F193-W286 HydrophobicContact CE2-CH2 4.41Å; F193-W286 HydrophobicContact CE2-CZ2 4.21Å; V209-W286 HydrophobicContact CG2-CH2 4.41Å; V209-W286 HydrophobicContact CG2-CZ2 3.58Å; P224-W286 HydrophobicContact CB-CG 4.32Å; S225-W286 PolarHBondContact O-N 2.99Å; P229-W286 HydrophobicContact CG-CH2 4.25Å; P229-W286 HydrophobicContact CG-CZ3 4.19Å; I248-W286 HydrophobicContact CD1-CH2 3.31Å; I248-W286 HydrophobicContact CD1-CZ2 4.4Å; I248-W286 HydrophobicContact CD1-CZ3 3.76Å; F271-W286 HydrophobicContact CB-CE3 3.9Å; F271-W286 HydrophobicContact CB-CZ3 3.88Å; L273-W286 HydrophobicContact CB-CD2 4.39Å; L273-W286 HydrophobicContact CB-CE3 3.82Å; L273-W286 HydrophobicContact CB-CH2 3.58Å; L273-W286 HydrophobicContact CB-CZ2 4.22Å; L273-W286 HydrophobicContact CB-CZ3 3.41Å; L273-W286 VanDerWaalsContact CB-CZ3 3.41Å; L273-W286 HydrophobicContact CD1-CD2 3.89Å; L273-W286 HydrophobicContact CD1-CE3 4.19Å; L273-W286 HydrophobicContact CD1-CG 4.39Å; L273-W286 HydrophobicContact CD1-CH2 4.19Å; L273-W286 HydrophobicContact CD1-CZ2 3.96Å; L273-W286 HydrophobicContact CD1-CZ3 4.36Å; L273-W286 HydrophobicContact CD2-CH2 3.97Å; L273-W286 HydrophobicContact CD2-CZ2 4.05Å; L273-W286 HydrophobicContact CG-CH2 4.1Å; L273-W286 HydrophobicContact CG-CZ2 4.29Å; L273-W286 HydrophobicContact CG-CZ3 4.31Å
287S96.3Very high85.4Confident46 Ų4687.1 Ų87.132%0.32246%0.464SS..EExtended strand (participates in β ladder)trans-138.3137.4167.953.70000109.7F271 L272F271-S287 CarbonylContact C-O 3.54Å; F271-S287 WeakPolarHBondContact CA-O 3.37Å; L272-S287 PolarHBondContact N-O 2.97Å; L272-S287 PolarHBondContact O-N 3.05Å; L272-S287 PolarHBondContact O-OG 3.26Å
288R96.8Very high86.7Confident171 Ų17186.3 Ų86.365%0.64545%0.451SS*.EExtended strand (participates in β ladder)trans-75134.9172.2-170.4173.8-172.5163.25.1109F271F271-R288 HydrophobicContact CD1-CB 4.29Å; F271-R288 HydrophobicContact CE1-CB 4.23Å; F271-R288 HydrophobicContact CE1-CG 4.27Å
289V95.3Very high88.3Confident15 Ų1577.4 Ų77.49%0.09141%0.412CS..EExtended strand (participates in β ladder)trans-105.9128.2176.8-174.90000108.6M270 L272 P291 H343M270-V289 HydrophobicContact CB-CB 4.24Å; M270-V289 HydrophobicContact CE-CB 4.25Å; M270-V289 HydrophobicContact CE-CG1 3.86Å; M270-V289 HydrophobicContact CG-CB 4.1Å; M270-V289 PolarHBondContact O-N 2.97Å; L272-V289 HydrophobicContact CB-CG2 3.61Å; V289-P291 WeakPolarHBondContact O-CD 3.26Å; V289-H343 HydrophobicContact CG1-CB 4.26Å
290S94.6Very high90.2Very high105 Ų10569 Ų6973%0.73437%0.374SS*.  trans-110.389.4173.7-63.80000108.3
291P94.1Very high92.1Very high41 Ų4160.2 Ų60.227%0.26634%0.337SS..  trans-68.8147.9-17733.3-39000110.9M270 V289 Y338 H343M270-P291 HydrophobicContact CE-CB 3.43Å; M270-P291 VanDerWaalsContact CE-CB 3.43Å; M270-P291 HydrophobicContact CE-CG 3.22Å; V289-P291 WeakPolarHBondContact O-CD 3.26Å; P291-Y338 HydrophobicContact CB-CE2 3.87Å; P291-H343 CarbonylContact C-O 3.49Å; P291-H343 WeakPolarHBondContact CA-O 3.36Å; P291-H343 WeakPolarHBondContact CB-O 3.49Å
292S95.4Very high93.8Very high61 Ų6153.7 Ų53.743%0.42731%0.307SS..EExtended strand (participates in β ladder)trans-86173171.2630000111.4H343 R344 W345S292-H343 PolarHBondContact N-O 2.74Å; S292-H343 PolarHBondContact OG-O 3.29Å; S292-R344 VanDerWaalsContact O-CA 3.32Å; S292-R344 WeakPolarHBondContact O-CA 3.2Å; S292-R344 WeakPolarHBondContact O-CG 3.33Å; S292-R344 WeakPolarHBondContact OG-CB 3.34Å; S292-R344 WeakPolarHBondContact OG-CG 3.29Å; S292-W345 PolarHBondContact O-N 2.91Å
293G94.3Very high94.9Very high47 Ų4749.9 Ų49.949%0.48529%0.29SS..EExtended strand (participates in β ladder)trans85.1-162.6175.700000113.9K295G293-K295 PolarHBondContact O-N 3.34Å
294S94Very high95.3Very high74 Ų7445 Ų4552%0.51727%0.269SS..  trans-95.894.9-172.2-59.10000109.6Y336 W345S294-Y336 WeakPolarHBondContact O-CE1 3.19Å; S294-W345 PolarHBondContact N-O 2.83Å; S294-W345 VanDerWaalsContact O-CB 3.26Å; S294-W345 WeakPolarHBondContact O-CB 3.44Å
295K93.3Very high95.3Very high128 Ų12844.9 Ų44.956%0.55727%0.27SS*.PPolyproline II helixtrans-70.7151.9177.462.3173.1-175.9166.80111.3G293 W345G293-K295 PolarHBondContact O-N 3.34Å; K295-W345 HydrophobicContact CB-CG 4.29Å
296P95.2Very high95.1Very high1 Ų145 Ų451%0.00627%0.273CS..PPolyproline II helixtrans-63.7152.7168.226.6-32000110.7Y249 L314 Y336 W345Y249-P296 HydrophobicContact CE1-CG 4.34Å; Y249-P296 WeakPolarHBondContact OH-CG 3.23Å; P296-L314 HydrophobicContact CG-CD1 4.08Å; P296-Y336 HydrophobicContact CB-CD1 4.22Å; P296-Y336 HydrophobicContact CB-CD2 3.83Å; P296-Y336 HydrophobicContact CB-CE1 4.14Å; P296-Y336 HydrophobicContact CB-CE2 3.73Å; P296-Y336 HydrophobicContact CB-CG 4.07Å; P296-Y336 HydrophobicContact CG-CD1 4.46Å; P296-Y336 HydrophobicContact CG-CG 4.37Å; P296-W345 HydrophobicContact CG-CZ3 4.46Å
297P94.4Very high94.4Very high55 Ų5544.4 Ų44.436%0.35727%0.274SS..PPolyproline II helixtrans-65.3169.2171.931.7-36.3000110.7R299 Y332P297-R299 PolarHBondContact O-N 3.31Å; P297-Y332 HydrophobicContact CG-CE1 4.13Å
298A94.4Very high93.3Very high44 Ų4445 Ų4536%0.36428%0.277SS..SBendtrans-62.8129.3-17900000110.1I266 C319I266-A298 HydrophobicContact CG2-CB 4.06Å; A298-C319 WeakPolarHBondContact O-CB 3.35Å
299R95.6Very high92.4Very high3 Ų342.1 Ų42.11%0.01128%0.278CS..  trans-163.3160178.558-17468.9-176.53.9111.2I266 P297 F302 G316 V318 Y332 D334I266-R299 WeakPolarHBondContact CG2-O 3.46Å; P297-R299 PolarHBondContact O-N 3.31Å; R299-F302 HydrophobicContact CG-CD1 3.8Å; R299-F302 HydrophobicContact CG-CE1 4.34Å; R299-F302 WeakPolarHBondContact O-CE1 3.38Å; R299-G316 VanDerWaalsContact CD-O 3.22Å; R299-G316 WeakPolarHBondContact CD-O 3.39Å; R299-G316 PolarHBondContact NH1-O 2.8Å; R299-V318 CarbonylContact C-O 3.57Å; R299-V318 VanDerWaalsContact CA-O 3.24Å; R299-V318 WeakPolarHBondContact CA-O 3.32Å; R299-V318 WeakPolarHBondContact CB-O 3.46Å; R299-Y332 HydrophobicContact CB-CD2 4.3Å; R299-Y332 HydrophobicContact CB-CE2 4.04Å; R299-Y332 VanDerWaalsContact CZ-CD1 3.46Å; R299-D334 IonicContact CZ-OD1 2.71Å; R299-D334 IonicContact CZ-OD2 3.92Å; R299-D334 VanDerWaalsContact NH1-CG 3.33Å; R299-D334 IonicContact NH1-OD1 3.7Å; R299-D334 PolarHBondContact NH1-OD1 2.88Å; R299-D334 IonicContact NH1-OD2 3.87Å; R299-D334 PolarHBondContact NH1-OD2 3.3Å; R299-D334 IonicContact NH2-OD1 2.75Å; R299-D334 IonicContact NH2-OD2 2.91Å; R299-D334 PolarHBondContact NH2-OD2 3.33Å
300S95.2Very high91.6Very high14 Ų1441.9 Ų41.910%0.09828%0.278CS..BIsolated β-bridgetrans-119.8179.817185.20000110.2F302 G317 V318S300-F302 PolarHBondContact O-N 3.06Å; S300-G317 CarbonylContact O-C 3.48Å; S300-G317 WeakPolarHBondContact O-CA 3.34Å; S300-V318 PolarHBondContact N-O 3.17Å; S300-V318 PolarHBondContact O-N 2.62Å
301G94.8Very high91.4Very high14 Ų1442.5 Ų42.514%0.14427%0.265CS..SBendtrans63.57.1174.800000116.2S439G301-S439 PolarHBondContact O-N 3.35Å
302F97.2Very high91.4Very high2 Ų240.7 Ų40.71%0.00925%0.253CS..  trans-74.7148.4-179.956.6-92.1000111.8Q236 Y249 R299 S300 L314 G316Q236-F302 HydrophobicContact CB-CE2 3.87Å; Q236-F302 HydrophobicContact CB-CZ 4.49Å; Q236-F302 HydrophobicContact CG-CD2 3.65Å; Q236-F302 HydrophobicContact CG-CE2 3.2Å; Q236-F302 HydrophobicContact CG-CZ 3.96Å; Q236-F302 PolarHBondContact NE2-O 2.84Å; Y249-F302 AromaticContact CD1-CE2 3.85Å; Y249-F302 HydrophobicContact CD1-CE2 3.85Å; Y249-F302 AromaticContact CD1-CZ 3.62Å; Y249-F302 HydrophobicContact CD1-CZ 3.62Å; Y249-F302 HydrophobicContact CE1-CE1 4.46Å; Y249-F302 HydrophobicContact CE1-CE2 4.06Å; Y249-F302 AromaticContact CE1-CZ 3.69Å; Y249-F302 HydrophobicContact CE1-CZ 3.69Å; R299-F302 HydrophobicContact CG-CD1 3.8Å; R299-F302 HydrophobicContact CG-CE1 4.34Å; R299-F302 WeakPolarHBondContact O-CE1 3.38Å; S300-F302 PolarHBondContact O-N 3.06Å; F302-L314 HydrophobicContact CB-CD1 4.48Å; F302-L314 HydrophobicContact CB-CD2 4.19Å; F302-L314 HydrophobicContact CB-CG 4.12Å; F302-L314 HydrophobicContact CD1-CD1 4.49Å; F302-L314 HydrophobicContact CD2-CD1 3.27Å; F302-L314 HydrophobicContact CD2-CD2 4.39Å; F302-L314 HydrophobicContact CD2-CG 3.51Å; F302-L314 HydrophobicContact CE2-CD1 3.37Å; F302-L314 HydrophobicContact CE2-CG 4.12Å; F302-L314 HydrophobicContact CG-CD1 3.85Å; F302-L314 HydrophobicContact CG-CD2 4.41Å; F302-L314 HydrophobicContact CG-CG 3.99Å; F302-L314 HydrophobicContact CZ-CD1 4.08Å; F302-G316 WeakPolarHBondContact CB-O 3.48Å
303S96.9Very high91.4Very high8 Ų838 Ų386%0.05623%0.234CC..EExtended strand (participates in β ladder)trans-84.7143.5178.6-460000110.8L314 F315 A440S303-L314 VanDerWaalsContact O-CA 3.32Å; S303-L314 WeakPolarHBondContact O-CA 3.18Å; S303-F315 PolarHBondContact N-O 2.94Å; S303-F315 PolarHBondContact O-N 3.11Å; S303-A440 WeakPolarHBondContact CB-O 3.46Å; S303-A440 VanDerWaalsContact OG-C 3.27Å; S303-A440 PolarHBondContact OG-O 2.96Å
304L95.8Very high91.5Very high18 Ų1835.8 Ų35.89%0.09421%0.211CC..EExtended strand (participates in β ladder)trans-124.2131.3171.5-164.487.4000111.3Q236 T238 A312 L313 L314Q236-L304 HydrophobicContact CB-CB 3.92Å; Q236-L304 HydrophobicContact CB-CD1 4.43Å; Q236-L304 HydrophobicContact CB-CD2 3.97Å; Q236-L304 HydrophobicContact CB-CG 4.32Å; Q236-L304 HydrophobicContact CG-CB 3.74Å; Q236-L304 VanDerWaalsContact OE1-CB 3.31Å; T238-L304 HydrophobicContact CG2-CD2 4.47Å; L304-A312 HydrophobicContact CD1-CB 4.06Å; L304-A312 HydrophobicContact CD2-CB 4.44Å; L304-A312 HydrophobicContact CG-CB 4.42Å; L304-L313 VanDerWaalsContact CA-O 3.29Å; L304-L313 WeakPolarHBondContact CA-O 3.41Å; L304-L313 WeakPolarHBondContact CD1-O 3.29Å; L304-L314 HydrophobicContact CD1-CB 4.36Å
305A95.3Very high91.7Very high6 Ų632.4 Ų32.45%0.0519%0.187CC..EExtended strand (participates in β ladder)trans-128.814816800000111A312 L313 A442 V444 L449A305-A312 CarbonylContact O-C 3.55Å; A305-A312 WeakPolarHBondContact O-CA 3.44Å; A305-L313 PolarHBondContact N-O 3.23Å; A305-L313 PolarHBondContact O-N 3.42Å; A305-A442 HydrophobicContact CB-CB 4.07Å; A305-V444 HydrophobicContact CB-CG2 3.88Å; A305-L449 HydrophobicContact CB-CD1 3.83Å
306V91.3Very high91.9Very high71 Ų7126.3 Ų26.343%0.4316%0.161SC..EExtended strand (participates in β ladder)trans-101.6113.4179.1-174.60000109T238T238-V306 WeakPolarHBondContact OG1-CG2 3.48Å
307G82.8Confident92Very high8 Ų826.3 Ų26.38%0.08216%0.16CC..EExtended strand (participates in β ladder)trans-83179.717500000113.6R311G307-R311 WeakPolarHBondContact CA-O 3.14Å; G307-R311 PolarHBondContact N-O 3.44Å
308P73.6Confident92.1Very high59 Ų5924.2 Ų24.238%0.38315%0.146SC..G310 helixtrans-56.2154.1177.2-22.132.7000112.1G310 R311P308-G310 PolarHBondContact O-N 3.37Å; P308-R311 PolarHBondContact O-N 3.46Å
309T77.8Confident92.1Very high111 Ų11123 Ų2368%0.68114%0.135SC*.G310 helixtrans62.219.7172.767.50000115.9N341T309-N341 PolarHBondContact O-ND2 2.7Å
310G78.8Confident91.8Very high9 Ų925.5 Ų25.59%0.09315%0.149CC..G310 helixtrans76.234.217800000113.3P308 I340P308-G310 PolarHBondContact O-N 3.37Å; G310-I340 WeakPolarHBondContact O-CB 3.37Å; G310-I340 WeakPolarHBondContact O-CD1 3.45Å; G310-I340 WeakPolarHBondContact O-CG1 3.4Å; G310-I340 PolarHBondContact O-N 2.91Å; G310-I340 VanDerWaalsContact O-N 3.1Å
311R89.5Confident91.1Very high118 Ų11829.7 Ų29.745%0.44517%0.167SC..EExtended strand (participates in β ladder)trans-97.6118.4169.1-67.4-175.5-176.4-177.62.2109.1G307 P308 Y338G307-R311 WeakPolarHBondContact CA-O 3.14Å; G307-R311 PolarHBondContact N-O 3.44Å; P308-R311 PolarHBondContact O-N 3.46Å; R311-Y338 CarbonylContact C-O 3.55Å; R311-Y338 WeakPolarHBondContact CA-O 3.49Å
312A93.7Very high90.3Very high3 Ų336 Ų363%0.02519%0.193CC..EExtended strand (participates in β ladder)trans-86.4141.9169.900000109.4L304 A305 L337 Y338 I340L304-A312 HydrophobicContact CD1-CB 4.06Å; L304-A312 HydrophobicContact CD2-CB 4.44Å; L304-A312 HydrophobicContact CG-CB 4.42Å; A305-A312 CarbonylContact O-C 3.55Å; A305-A312 WeakPolarHBondContact O-CA 3.44Å; A312-L337 WeakPolarHBondContact O-CA 3.01Å; A312-Y338 PolarHBondContact N-O 3.09Å; A312-Y338 PolarHBondContact O-N 3.48Å; A312-I340 HydrophobicContact CB-CD1 4.36Å
313L95.6Very high89Confident5 Ų542.6 Ų42.63%0.02622%0.224CC..EExtended strand (participates in β ladder)trans-112.2130.3176.7-61102.8000108.3L304 A305 L335 Y336 L337 V444 L449 L473L304-L313 VanDerWaalsContact CA-O 3.29Å; L304-L313 WeakPolarHBondContact CA-O 3.41Å; L304-L313 WeakPolarHBondContact CD1-O 3.29Å; A305-L313 PolarHBondContact N-O 3.23Å; A305-L313 PolarHBondContact O-N 3.42Å; L313-L335 HydrophobicContact CB-CD1 4.38Å; L313-L335 HydrophobicContact CD2-CD1 4.35Å; L313-Y336 CarbonylContact C-O 3.52Å; L313-Y336 WeakPolarHBondContact CA-O 3.35Å; L313-L337 HydrophobicContact CB-CD2 4.45Å; L313-L337 HydrophobicContact CD2-CD2 3.45Å; L313-L337 VanDerWaalsContact CD2-CD2 3.45Å; L313-L337 HydrophobicContact CG-CD2 3.56Å; L313-V444 HydrophobicContact CD1-CG2 3.98Å; L313-L449 HydrophobicContact CD2-CD2 4.28Å; L313-L473 HydrophobicContact CD1-CD1 3.82Å; L313-L473 HydrophobicContact CD2-CD1 3.87Å; L313-L473 HydrophobicContact CD2-CD2 3.44Å; L313-L473 VanDerWaalsContact CD2-CD2 3.44Å; L313-L473 HydrophobicContact CD2-CG 4.29Å
314L97.2Very high87.3Confident0 Ų050.2 Ų50.20%026%0.263CS..EExtended strand (participates in β ladder)trans-113.3130.7174.4177.7156000108.5Y249 P296 F302 S303 L304 L335 Y336 W345Y249-L314 HydrophobicContact CD1-CD1 4.29Å; Y249-L314 HydrophobicContact CE1-CD1 3.78Å; P296-L314 HydrophobicContact CG-CD1 4.08Å; F302-L314 HydrophobicContact CB-CD1 4.48Å; F302-L314 HydrophobicContact CB-CD2 4.19Å; F302-L314 HydrophobicContact CB-CG 4.12Å; F302-L314 HydrophobicContact CD1-CD1 4.49Å; F302-L314 HydrophobicContact CD2-CD1 3.27Å; F302-L314 HydrophobicContact CD2-CD2 4.39Å; F302-L314 HydrophobicContact CD2-CG 3.51Å; F302-L314 HydrophobicContact CE2-CD1 3.37Å; F302-L314 HydrophobicContact CE2-CG 4.12Å; F302-L314 HydrophobicContact CG-CD1 3.85Å; F302-L314 HydrophobicContact CG-CD2 4.41Å; F302-L314 HydrophobicContact CG-CG 3.99Å; F302-L314 HydrophobicContact CZ-CD1 4.08Å; S303-L314 VanDerWaalsContact O-CA 3.32Å; S303-L314 WeakPolarHBondContact O-CA 3.18Å; L304-L314 HydrophobicContact CD1-CB 4.36Å; L314-L335 CarbonylContact O-C 3.5Å; L314-L335 WeakPolarHBondContact O-CA 3.48Å; L314-L335 WeakPolarHBondContact O-CD1 3.4Å; L314-Y336 HydrophobicContact CD2-CD2 4.37Å; L314-Y336 PolarHBondContact N-O 3.25Å; L314-Y336 PolarHBondContact O-N 2.86Å; L314-W345 HydrophobicContact CB-CH2 4.34Å; L314-W345 HydrophobicContact CB-CZ3 4.15Å; L314-W345 HydrophobicContact CD1-CH2 4Å; L314-W345 HydrophobicContact CD1-CZ3 4.37Å
315F97.9Very high86Confident4 Ų459 Ų592%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-128.6136176.8178.9-89.3000110.9S303 N333 D334 L335 P434 R437 L451 W479S303-F315 PolarHBondContact N-O 2.94Å; S303-F315 PolarHBondContact O-N 3.11Å; F315-N333 WeakPolarHBondContact CE2-O 3.29Å; F315-N333 HydrophobicContact CZ-CB 4.34Å; F315-D334 WeakPolarHBondContact CA-O 3.37Å; F315-L335 HydrophobicContact CB-CD1 4.19Å; F315-L335 HydrophobicContact CD2-CB 4.49Å; F315-L335 HydrophobicContact CD2-CD1 4.34Å; F315-P434 HydrophobicContact CE1-CB 4.46Å; F315-P434 HydrophobicContact CE2-CB 4.45Å; F315-P434 HydrophobicContact CE2-CG 4.23Å; F315-P434 HydrophobicContact CZ-CB 3.77Å; F315-P434 HydrophobicContact CZ-CG 4.02Å; F315-R437 HydrophobicContact CE1-CG 3.84Å; F315-L451 HydrophobicContact CD1-CD1 3.73Å; F315-L451 HydrophobicContact CD1-CD2 3.52Å; F315-L451 HydrophobicContact CD1-CG 4.29Å; F315-L451 HydrophobicContact CD2-CD2 4.44Å; F315-L451 HydrophobicContact CE1-CD1 4.29Å; F315-L451 HydrophobicContact CE1-CD2 3.28Å; F315-L451 HydrophobicContact CE1-CG 4.4Å; F315-L451 HydrophobicContact CE2-CD2 4.22Å; F315-L451 HydrophobicContact CG-CD1 4.29Å; F315-L451 HydrophobicContact CG-CD2 4.13Å; F315-L451 HydrophobicContact CZ-CD2 3.68Å; F315-W479 HydrophobicContact CD2-CH2 4.38Å; F315-W479 HydrophobicContact CD2-CZ2 4.14Å; F315-W479 HydrophobicContact CE2-CH2 4.47Å; F315-W479 HydrophobicContact CE2-CZ2 4.03Å
316G97.4Very high84.6Confident0 Ų062.5 Ų62.50%033%0.325CS..  trans61.5-140.2169.800000115.1R299 F302 Y332 D334R299-G316 VanDerWaalsContact CD-O 3.22Å; R299-G316 WeakPolarHBondContact CD-O 3.39Å; R299-G316 PolarHBondContact NH1-O 2.8Å; F302-G316 WeakPolarHBondContact CB-O 3.48Å; G316-Y332 WeakPolarHBondContact CA-O 3.29Å; G316-D334 PolarHBondContact N-O 3.17Å; G316-D334 VanDerWaalsContact N-O 3.1Å
317G97.3Very high84.1Confident0 Ų064.9 Ų64.90%033%0.334CS..  trans105.3-177.3-173.100000112.8S300 Y332 R437S300-G317 CarbonylContact O-C 3.48Å; S300-G317 WeakPolarHBondContact O-CA 3.34Å; G317-Y332 WeakPolarHBondContact O-CD2 3.18Å; G317-Y332 PolarHBondContact O-N 2.67Å; G317-R437 PolarHBondContact N-O 2.91Å
318V95.9Very high84.1Confident11 Ų1171.1 Ų71.17%0.06736%0.362CS..EExtended strand (participates in β ladder)trans-136.7145.8-178.565.20000110.9R299 S300 D320 D330 F331R299-V318 CarbonylContact C-O 3.57Å; R299-V318 VanDerWaalsContact CA-O 3.24Å; R299-V318 WeakPolarHBondContact CA-O 3.32Å; R299-V318 WeakPolarHBondContact CB-O 3.46Å; S300-V318 PolarHBondContact N-O 3.17Å; S300-V318 PolarHBondContact O-N 2.62Å; V318-D320 WeakPolarHBondContact CG2-OD1 3.35Å; V318-D330 CarbonylContact C-O 3.57Å; V318-D330 WeakPolarHBondContact CA-O 3.36Å; V318-F331 HydrophobicContact CB-CD1 3.83Å; V318-F331 HydrophobicContact CB-CE1 3.74Å; V318-F331 HydrophobicContact CB-CG 4.45Å; V318-F331 HydrophobicContact CB-CZ 4.3Å; V318-F331 HydrophobicContact CG1-CE1 4.5Å; V318-F331 HydrophobicContact CG2-CD1 3.88Å; V318-F331 HydrophobicContact CG2-CD2 4.21Å; V318-F331 HydrophobicContact CG2-CE1 3.65Å; V318-F331 HydrophobicContact CG2-CE2 3.99Å; V318-F331 HydrophobicContact CG2-CG 4.13Å; V318-F331 HydrophobicContact CG2-CZ 3.71Å
319C94.3Very high84.8Confident19 Ų1969.5 Ų69.513%0.12836%0.355CS..EExtended strand (participates in β ladder)trans-120.1112.1168.2-176.60000108.8A298 D330 Y332A298-C319 WeakPolarHBondContact O-CB 3.35Å; C319-D330 HydrophobicContact CB-CB 4.43Å; C319-D330 PolarHBondContact N-O 3.24Å; C319-D330 PolarHBondContact O-N 2.78Å; C319-Y332 HydrophobicContact CB-CE2 3.78Å
320D88.8Confident85.5Confident55 Ų5566.2 Ų66.229%0.29433%0.333SS..EExtended strand (participates in β ladder)trans-84.1127.3180-40.9-40.8000109.7V318 L327 E328V318-D320 WeakPolarHBondContact CG2-OD1 3.35Å; D320-L327 HydrophobicContact CB-CD1 3.79Å; D320-L327 HydrophobicContact CB-CG 4.36Å; D320-E328 WeakPolarHBondContact CA-O 3.19Å
321E82.1Confident86.3Confident102 Ų10267.5 Ų67.548%0.47734%0.337SS..EExtended strand (participates in β ladder)trans-104.4127.4172.6-60.2-164.2157.300109E328E321-E328 PolarHBondContact N-O 3.07Å; E321-E328 PolarHBondContact O-N 2.83Å
322E76.5Confident86.7Confident147 Ų14764.3 Ų64.369%0.68733%0.325SS*.EExtended strand (participates in β ladder)trans-111.5106-177.5-169.8-179.6-172.800108.4T326 L327E322-T326 WeakPolarHBondContact CA-O 3.17Å; E322-L327 HydrophobicContact CB-CD1 4.12Å; E322-L327 HydrophobicContact CG-CD1 4.47Å
323E71.6Confident86.8Confident141 Ų14167.1 Ų67.166%0.65934%0.34SS*.EExtended strand (participates in β ladder)trans-123.6125.2175.7-75-163164.900110.6E325 T326E323-E325 VanDerWaalsContact C-N 3.3Å; E323-E325 PolarHBondContact O-N 2.88Å; E323-T326 PolarHBondContact N-O 3.25Å; E323-T326 VanDerWaalsContact N-O 3.07Å; E323-T326 PolarHBondContact O-N 2.87Å; E323-T326 PolarHBondContact O-OG1 3.44Å
324D60.9Low86.8Confident167 Ų16768.9 Ų68.989%0.89335%0.349SS*.THydrogen-bonded Turntrans37.651167.3-66-23.9000115.6
325E67.9Low86.7Confident204 Ų20469.6 Ų69.695%0.95335%0.353SS*.THydrogen-bonded Turntrans82.23.2179-50.4-179.4172.200116.7E323E323-E325 VanDerWaalsContact C-N 3.3Å; E323-E325 PolarHBondContact O-N 2.88Å
326T66.6Low86.7Confident78 Ų7871 Ų7148%0.47936%0.358SS..EExtended strand (participates in β ladder)trans-104.7141.4170.459.90000111.2E322 E323E322-T326 WeakPolarHBondContact CA-O 3.17Å; E323-T326 PolarHBondContact N-O 3.25Å; E323-T326 VanDerWaalsContact N-O 3.07Å; E323-T326 PolarHBondContact O-N 2.87Å; E323-T326 PolarHBondContact O-OG1 3.44Å
327L79.7Confident86.5Confident121 Ų12172.5 Ų72.563%0.63437%0.366SS*.EExtended strand (participates in β ladder)trans-120.3112.8173.9-174.171.9000107.7D320 E322D320-L327 HydrophobicContact CB-CD1 3.79Å; D320-L327 HydrophobicContact CB-CG 4.36Å; E322-L327 HydrophobicContact CB-CD1 4.12Å; E322-L327 HydrophobicContact CG-CD1 4.47Å
328E83.1Confident86.4Confident140 Ų14072.7 Ų72.765%0.65437%0.367SS*.EExtended strand (participates in β ladder)trans-115.7134.3176.8-68.6-173.5178.100110.1D320 E321D320-E328 WeakPolarHBondContact CA-O 3.19Å; E321-E328 PolarHBondContact N-O 3.07Å; E321-E328 PolarHBondContact O-N 2.83Å
329G88.4Confident86.3Confident24 Ų2472.9 Ų72.925%0.24737%0.368CS..EExtended strand (participates in β ladder)trans-99.1114.4-179.900000112.6F331G329-F331 WeakPolarHBondContact O-CD2 3.22Å; G329-F331 WeakPolarHBondContact O-CE2 3.43Å; G329-F331 PolarHBondContact O-N 2.79Å
330D92.9Very high86.1Confident42 Ų4272.2 Ų72.223%0.22536%0.363CS..EExtended strand (participates in β ladder)trans-79.8101.3168.3-86.5-24.3000109.5V318 C319 Y332 K405V318-D330 CarbonylContact C-O 3.57Å; V318-D330 WeakPolarHBondContact CA-O 3.36Å; C319-D330 HydrophobicContact CB-CB 4.43Å; C319-D330 PolarHBondContact N-O 3.24Å; C319-D330 PolarHBondContact O-N 2.78Å; D330-Y332 WeakPolarHBondContact O-CD2 3.16Å; D330-Y332 WeakPolarHBondContact O-CE2 3.34Å; D330-K405 IonicContact OD1-NZ 3.74Å; D330-K405 PolarHBondContact OD1-NZ 2.79Å; D330-K405 IonicContact OD2-NZ 2.73Å; D330-K405 PolarHBondContact OD2-NZ 2.87Å
331F96Very high86.1Confident37 Ų3774.5 Ų74.516%0.16238%0.375CS..EExtended strand (participates in β ladder)trans-82.2148.1177-66.9-89.6000112.3V318 G329 A436 M455 F456 E457V318-F331 HydrophobicContact CB-CD1 3.83Å; V318-F331 HydrophobicContact CB-CE1 3.74Å; V318-F331 HydrophobicContact CB-CG 4.45Å; V318-F331 HydrophobicContact CB-CZ 4.3Å; V318-F331 HydrophobicContact CG1-CE1 4.5Å; V318-F331 HydrophobicContact CG2-CD1 3.88Å; V318-F331 HydrophobicContact CG2-CD2 4.21Å; V318-F331 HydrophobicContact CG2-CE1 3.65Å; V318-F331 HydrophobicContact CG2-CE2 3.99Å; V318-F331 HydrophobicContact CG2-CG 4.13Å; V318-F331 HydrophobicContact CG2-CZ 3.71Å; G329-F331 WeakPolarHBondContact O-CD2 3.22Å; G329-F331 WeakPolarHBondContact O-CE2 3.43Å; G329-F331 PolarHBondContact O-N 2.79Å; F331-A436 HydrophobicContact CB-CB 3.77Å; F331-M455 HydrophobicContact CE1-CE 3.39Å; F331-M455 HydrophobicContact CZ-CE 3.39Å; F331-F456 HydrophobicContact CD1-CB 4.19Å; F331-F456 HydrophobicContact CD2-CB 4.31Å; F331-F456 HydrophobicContact CE1-CB 4.43Å; F331-F456 HydrophobicContact CG-CB 4.14Å; F331-E457 HydrophobicContact CE2-CB 3.89Å; F331-E457 HydrophobicContact CZ-CB 4.1Å; F331-E457 HydrophobicContact CZ-CG 4.21Å
332Y97Very high86.5Confident50 Ų5076.5 Ų76.520%0.19638%0.382CS..  trans-120.8150.9-179.8-57.5-88000112.5P297 R299 G316 G317 C319 D330 A436 R437P297-Y332 HydrophobicContact CG-CE1 4.13Å; R299-Y332 HydrophobicContact CB-CD2 4.3Å; R299-Y332 HydrophobicContact CB-CE2 4.04Å; R299-Y332 VanDerWaalsContact CZ-CD1 3.46Å; G316-Y332 WeakPolarHBondContact CA-O 3.29Å; G317-Y332 WeakPolarHBondContact O-CD2 3.18Å; G317-Y332 PolarHBondContact O-N 2.67Å; C319-Y332 HydrophobicContact CB-CE2 3.78Å; D330-Y332 WeakPolarHBondContact O-CD2 3.16Å; D330-Y332 WeakPolarHBondContact O-CE2 3.34Å; Y332-A436 WeakPolarHBondContact O-CA 3.47Å; Y332-R437 PolarHBondContact O-N 3.34Å
333N95.8Very high87.2Confident63 Ų6372.6 Ų72.634%0.33736%0.364SS..  trans-120.98.9171.467.6-21.5000113.3F315 E433 P434 A436F315-N333 WeakPolarHBondContact CE2-O 3.29Å; F315-N333 HydrophobicContact CZ-CB 4.34Å; N333-E433 PolarHBondContact ND2-OE1 2.86Å; N333-P434 WeakPolarHBondContact CB-O 3.39Å; N333-A436 HydrophobicContact CB-CB 4.22Å
334D95.8Very high88.3Confident42 Ų4271.4 Ų71.423%0.22535%0.353CS..  trans-72.7158.1-177.558.522.9000112.5R299 F315 G316 Y336R299-D334 IonicContact CZ-OD1 2.71Å; R299-D334 IonicContact CZ-OD2 3.92Å; R299-D334 VanDerWaalsContact NH1-CG 3.33Å; R299-D334 IonicContact NH1-OD1 3.7Å; R299-D334 PolarHBondContact NH1-OD1 2.88Å; R299-D334 IonicContact NH1-OD2 3.87Å; R299-D334 PolarHBondContact NH1-OD2 3.3Å; R299-D334 IonicContact NH2-OD1 2.75Å; R299-D334 IonicContact NH2-OD2 2.91Å; R299-D334 PolarHBondContact NH2-OD2 3.33Å; F315-D334 WeakPolarHBondContact CA-O 3.37Å; G316-D334 PolarHBondContact N-O 3.17Å; G316-D334 VanDerWaalsContact N-O 3.1Å; D334-Y336 HydrophobicContact CB-CE2 4.13Å; D334-Y336 WeakPolarHBondContact OD2-CE2 3.48Å
335L95.8Very high90Very high15 Ų1563.7 Ų63.78%0.07931%0.312CS..EExtended strand (participates in β ladder)trans-120.2129.1177.9-177.669.9000109.5L313 L314 F315 A348 L449 L471 M476L313-L335 HydrophobicContact CB-CD1 4.38Å; L313-L335 HydrophobicContact CD2-CD1 4.35Å; L314-L335 CarbonylContact O-C 3.5Å; L314-L335 WeakPolarHBondContact O-CA 3.48Å; L314-L335 WeakPolarHBondContact O-CD1 3.4Å; F315-L335 HydrophobicContact CB-CD1 4.19Å; F315-L335 HydrophobicContact CD2-CB 4.49Å; F315-L335 HydrophobicContact CD2-CD1 4.34Å; L335-A348 HydrophobicContact CB-CB 3.93Å; L335-A348 HydrophobicContact CD2-CB 3.64Å; L335-A348 HydrophobicContact CG-CB 3.59Å; L335-A348 VanDerWaalsContact O-CB 3.29Å; L335-A348 WeakPolarHBondContact O-CB 3.44Å; L335-A348 PolarHBondContact O-N 2.99Å; L335-L449 HydrophobicContact CD1-CD2 4.02Å; L335-L471 HydrophobicContact CD2-CD2 3.57Å; L335-M476 HydrophobicContact CD2-CE 4.17Å
336Y96.3Very high91.2Very high32 Ų3257.2 Ų57.213%0.12528%0.28CS..EExtended strand (participates in β ladder)trans-121.3144176.1-78.9-98.7000111.5S294 P296 L313 L314 D334 W345 F346 P347S294-Y336 WeakPolarHBondContact O-CE1 3.19Å; P296-Y336 HydrophobicContact CB-CD1 4.22Å; P296-Y336 HydrophobicContact CB-CD2 3.83Å; P296-Y336 HydrophobicContact CB-CE1 4.14Å; P296-Y336 HydrophobicContact CB-CE2 3.73Å; P296-Y336 HydrophobicContact CB-CG 4.07Å; P296-Y336 HydrophobicContact CG-CD1 4.46Å; P296-Y336 HydrophobicContact CG-CG 4.37Å; L313-Y336 CarbonylContact C-O 3.52Å; L313-Y336 WeakPolarHBondContact CA-O 3.35Å; L314-Y336 HydrophobicContact CD2-CD2 4.37Å; L314-Y336 PolarHBondContact N-O 3.25Å; L314-Y336 PolarHBondContact O-N 2.86Å; D334-Y336 HydrophobicContact CB-CE2 4.13Å; D334-Y336 WeakPolarHBondContact OD2-CE2 3.48Å; Y336-W345 HydrophobicContact CD1-CE3 4.46Å; Y336-F346 WeakPolarHBondContact CA-O 3.48Å; Y336-P347 HydrophobicContact CD1-CB 4.48Å; Y336-P347 HydrophobicContact CE1-CB 4.16Å
337L94.7Very high92.5Very high32 Ų3256.5 Ų56.517%0.16828%0.277CS..EExtended strand (participates in β ladder)trans-109.3130.6172.5-62.4173.6000109.9A312 L313 W345 F346 A348A312-L337 WeakPolarHBondContact O-CA 3.01Å; L313-L337 HydrophobicContact CB-CD2 4.45Å; L313-L337 HydrophobicContact CD2-CD2 3.45Å; L313-L337 VanDerWaalsContact CD2-CD2 3.45Å; L313-L337 HydrophobicContact CG-CD2 3.56Å; L337-W345 CarbonylContact O-C 3.58Å; L337-W345 WeakPolarHBondContact O-CA 3.25Å; L337-F346 PolarHBondContact N-O 2.91Å; L337-F346 PolarHBondContact O-N 2.8Å; L337-A348 HydrophobicContact CD1-CB 4.16Å; L337-A348 HydrophobicContact CG-CB 3.91Å
338Y95.3Very high93Very high5 Ų551.6 Ų51.62%0.0225%0.254CS..EExtended strand (participates in β ladder)trans-112.5115.6169.6-178.3-118.2000110.4I247 M270 P291 R311 A312 I340 H343 R344 W345I247-Y338 HydrophobicContact CD1-CE1 3.98Å; M270-Y338 HydrophobicContact CE-CE1 4.45Å; M270-Y338 HydrophobicContact CE-CE2 3.74Å; M270-Y338 WeakPolarHBondContact CE-OH 3.36Å; M270-Y338 HydrophobicContact SD-CE1 3.9Å; M270-Y338 HydrophobicContact SD-CE2 4.2Å; M270-Y338 VanDerWaalsContact SD-CZ 3.6Å; M270-Y338 PolarHBondContact SD-OH 2.95Å; M270-Y338 VanDerWaalsContact SD-OH 3.39Å; P291-Y338 HydrophobicContact CB-CE2 3.87Å; R311-Y338 CarbonylContact C-O 3.55Å; R311-Y338 WeakPolarHBondContact CA-O 3.49Å; A312-Y338 PolarHBondContact N-O 3.09Å; A312-Y338 PolarHBondContact O-N 3.48Å; Y338-I340 HydrophobicContact CD1-CG1 3.81Å; Y338-I340 HydrophobicContact CE1-CB 4.42Å; Y338-I340 HydrophobicContact CE1-CG1 3.98Å; Y338-I340 PolarHBondContact O-N 2.92Å; Y338-H343 AromaticContact CZ-ND1 3.97Å; Y338-H343 PolarHBondContact OH-ND1 2.65Å; Y338-R344 WeakPolarHBondContact CD2-O 3.31Å; Y338-W345 AromaticContact CD2-CD1 3.94Å; Y338-W345 AromaticContact CD2-CD2 3.73Å; Y338-W345 HydrophobicContact CD2-CD2 3.73Å; Y338-W345 AromaticContact CD2-CE2 3.61Å; Y338-W345 HydrophobicContact CD2-CE3 4.34Å; Y338-W345 AromaticContact CD2-CG 3.93Å; Y338-W345 HydrophobicContact CD2-CG 3.93Å; Y338-W345 HydrophobicContact CD2-CZ2 4.13Å; Y338-W345 AromaticContact CD2-NE1 3.72Å; Y338-W345 HydrophobicContact CG-CD2 4.22Å; Y338-W345 HydrophobicContact CG-CE3 4.43Å; Y338-W345 HydrophobicContact CG-CH2 4.34Å; Y338-W345 HydrophobicContact CG-CZ2 4.1Å
339D93Very high93.2Very high15 Ų1552.1 Ų52.18%0.0826%0.256CS..EExtended strand (participates in β ladder)trans-79.2104.8170.4-172.3-36.7000108.5N341 K342 H343 R344 F346D339-N341 PolarHBondContact O-N 2.81Å; D339-N341 WeakPolarHBondContact OD1-CB 3.16Å; D339-N341 PolarHBondContact OD1-N 2.9Å; D339-K342 HydrophobicContact CB-CB 4.17Å; D339-K342 PolarHBondContact O-N 3.06Å; D339-K342 PolarHBondContact OD1-N 2.76Å; D339-K342 VanDerWaalsContact OD2-CD 3.3Å; D339-K342 WeakPolarHBondContact OD2-CD 3.33Å; D339-K342 IonicContact OD2-NZ 2.68Å; D339-H343 WeakPolarHBondContact O-CA 3.4Å; D339-H343 PolarHBondContact O-N 2.87Å; D339-R344 PolarHBondContact N-O 2.92Å; D339-R344 PolarHBondContact O-N 2.83Å; D339-F346 HydrophobicContact CB-CE2 4.25Å
340I90.4Very high93.2Very high5 Ų553.7 Ų53.73%0.02626%0.259CS..THydrogen-bonded Turntrans-64.2-33.6-176.3-62.6168.5000111.1T238 P241 I247 G310 A312 Y338 H343T238-I340 HydrophobicContact CG2-CD1 3.99Å; P241-I340 HydrophobicContact CG-CB 4.34Å; P241-I340 HydrophobicContact CG-CG2 4.13Å; I247-I340 HydrophobicContact CD1-CG2 3.55Å; G310-I340 WeakPolarHBondContact O-CB 3.37Å; G310-I340 WeakPolarHBondContact O-CD1 3.45Å; G310-I340 WeakPolarHBondContact O-CG1 3.4Å; G310-I340 PolarHBondContact O-N 2.91Å; G310-I340 VanDerWaalsContact O-N 3.1Å; A312-I340 HydrophobicContact CB-CD1 4.36Å; Y338-I340 HydrophobicContact CD1-CG1 3.81Å; Y338-I340 HydrophobicContact CE1-CB 4.42Å; Y338-I340 HydrophobicContact CE1-CG1 3.98Å; Y338-I340 PolarHBondContact O-N 2.92Å; I340-H343 PolarHBondContact O-CE1 3.32Å; I340-H343 PolarHBondContact O-ND1 3.1Å
341N87.6Confident92.6Very high102 Ų10258.6 Ų58.655%0.54528%0.278SS..THydrogen-bonded Turntrans-75.3-35.3-177.6-61.3-55.6000111.8T309 D339T309-N341 PolarHBondContact O-ND2 2.7Å; D339-N341 PolarHBondContact O-N 2.81Å; D339-N341 WeakPolarHBondContact OD1-CB 3.16Å; D339-N341 PolarHBondContact OD1-N 2.9Å
342K90.6Very high91Very high144 Ų14458.5 Ų58.563%0.62629%0.287SS*.THydrogen-bonded Turntrans-94.9-5.2-179.3-62.1-179.2-169.8158.20113.7D339 R344D339-K342 HydrophobicContact CB-CB 4.17Å; D339-K342 PolarHBondContact O-N 3.06Å; D339-K342 PolarHBondContact OD1-N 2.76Å; D339-K342 VanDerWaalsContact OD2-CD 3.3Å; D339-K342 WeakPolarHBondContact OD2-CD 3.33Å; D339-K342 IonicContact OD2-NZ 2.68Å; K342-R344 VanDerWaalsContact C-N 3.33Å; K342-R344 HydrophobicContact CB-CB 4.29Å; K342-R344 PolarHBondContact O-N 2.87Å
343H91.9Very high88.6Confident66 Ų6660.2 Ų60.231%0.30631%0.306SS..THydrogen-bonded Turntrans47.155.9-171.8-63.1-56.2000111.6V289 P291 S292 Y338 D339 I340V289-H343 HydrophobicContact CG1-CB 4.26Å; P291-H343 CarbonylContact C-O 3.49Å; P291-H343 WeakPolarHBondContact CA-O 3.36Å; P291-H343 WeakPolarHBondContact CB-O 3.49Å; S292-H343 PolarHBondContact N-O 2.74Å; S292-H343 PolarHBondContact OG-O 3.29Å; Y338-H343 AromaticContact CZ-ND1 3.97Å; Y338-H343 PolarHBondContact OH-ND1 2.65Å; D339-H343 WeakPolarHBondContact O-CA 3.4Å; D339-H343 PolarHBondContact O-N 2.87Å; I340-H343 PolarHBondContact O-CE1 3.32Å; I340-H343 PolarHBondContact O-ND1 3.1Å
344R95.1Very high85.9Confident116 Ų11666.6 Ų66.644%0.43833%0.33SS..EExtended strand (participates in β ladder)trans-138.2132.4-174.3-172.1167.1171.7-170.41.7112.6S292 Y338 D339 K342 F346S292-R344 VanDerWaalsContact O-CA 3.32Å; S292-R344 WeakPolarHBondContact O-CA 3.2Å; S292-R344 WeakPolarHBondContact O-CG 3.33Å; S292-R344 WeakPolarHBondContact OG-CB 3.34Å; S292-R344 WeakPolarHBondContact OG-CG 3.29Å; Y338-R344 WeakPolarHBondContact CD2-O 3.31Å; D339-R344 PolarHBondContact N-O 2.92Å; D339-R344 PolarHBondContact O-N 2.83Å; K342-R344 VanDerWaalsContact C-N 3.33Å; K342-R344 HydrophobicContact CB-CB 4.29Å; K342-R344 PolarHBondContact O-N 2.87Å; R344-F346 HydrophobicContact CB-CE2 3.83Å; R344-F346 HydrophobicContact CB-CZ 4.05Å; R344-F346 HydrophobicContact CG-CD2 4.32Å; R344-F346 HydrophobicContact CG-CE1 4.05Å; R344-F346 HydrophobicContact CG-CE2 3.56Å; R344-F346 HydrophobicContact CG-CZ 3.43Å; R344-F346 VanDerWaalsContact CG-CZ 3.43Å; R344-F346 VanDerWaalsContact CZ-CE1 3.48Å; R344-F346 VanDerWaalsContact NE-CZ 3.32Å
345W95.8Very high83.1Confident5 Ų569.4 Ų69.42%0.01935%0.354CS..EExtended strand (participates in β ladder)trans-92.7147.4174.1-74105.7000112.5Y249 S292 S294 K295 P296 L314 Y336 L337 Y338Y249-W345 HydrophobicContact CD1-CH2 4.19Å; Y249-W345 AromaticContact CD1-CZ2 3.92Å; Y249-W345 HydrophobicContact CD1-CZ2 3.92Å; Y249-W345 HydrophobicContact CD2-CZ2 4.43Å; Y249-W345 HydrophobicContact CE1-CH2 4.06Å; Y249-W345 AromaticContact CE1-CZ2 3.81Å; Y249-W345 HydrophobicContact CE1-CZ2 3.81Å; Y249-W345 HydrophobicContact CE2-CZ2 4.34Å; Y249-W345 HydrophobicContact CG-CZ2 4.23Å; S292-W345 PolarHBondContact O-N 2.91Å; S294-W345 PolarHBondContact N-O 2.83Å; S294-W345 VanDerWaalsContact O-CB 3.26Å; S294-W345 WeakPolarHBondContact O-CB 3.44Å; K295-W345 HydrophobicContact CB-CG 4.29Å; P296-W345 HydrophobicContact CG-CZ3 4.46Å; L314-W345 HydrophobicContact CB-CH2 4.34Å; L314-W345 HydrophobicContact CB-CZ3 4.15Å; L314-W345 HydrophobicContact CD1-CH2 4Å; L314-W345 HydrophobicContact CD1-CZ3 4.37Å; Y336-W345 HydrophobicContact CD1-CE3 4.46Å; L337-W345 CarbonylContact O-C 3.58Å; L337-W345 WeakPolarHBondContact O-CA 3.25Å; Y338-W345 AromaticContact CD2-CD1 3.94Å; Y338-W345 AromaticContact CD2-CD2 3.73Å; Y338-W345 HydrophobicContact CD2-CD2 3.73Å; Y338-W345 AromaticContact CD2-CE2 3.61Å; Y338-W345 HydrophobicContact CD2-CE3 4.34Å; Y338-W345 AromaticContact CD2-CG 3.93Å; Y338-W345 HydrophobicContact CD2-CG 3.93Å; Y338-W345 HydrophobicContact CD2-CZ2 4.13Å; Y338-W345 AromaticContact CD2-NE1 3.72Å; Y338-W345 HydrophobicContact CG-CD2 4.22Å; Y338-W345 HydrophobicContact CG-CE3 4.43Å; Y338-W345 HydrophobicContact CG-CH2 4.34Å; Y338-W345 HydrophobicContact CG-CZ2 4.1Å
346F93.6Very high80.2Confident67 Ų6777.7 Ų77.729%0.29439%0.392SS..EExtended strand (participates in β ladder)trans-144.8135.3174.6-53.6-92000109.8Y336 L337 D339 R344Y336-F346 WeakPolarHBondContact CA-O 3.48Å; L337-F346 PolarHBondContact N-O 2.91Å; L337-F346 PolarHBondContact O-N 2.8Å; D339-F346 HydrophobicContact CB-CE2 4.25Å; R344-F346 HydrophobicContact CB-CE2 3.83Å; R344-F346 HydrophobicContact CB-CZ 4.05Å; R344-F346 HydrophobicContact CG-CD2 4.32Å; R344-F346 HydrophobicContact CG-CE1 4.05Å; R344-F346 HydrophobicContact CG-CE2 3.56Å; R344-F346 HydrophobicContact CG-CZ 3.43Å; R344-F346 VanDerWaalsContact CG-CZ 3.43Å; R344-F346 VanDerWaalsContact CZ-CE1 3.48Å; R344-F346 VanDerWaalsContact NE-CZ 3.32Å
347P94.4Very high77Confident64 Ų6485.7 Ų85.742%0.41643%0.427SS..EExtended strand (participates in β ladder)trans-64.3137.7162.329.1-35.1000108.7Y336Y336-P347 HydrophobicContact CD1-CB 4.48Å; Y336-P347 HydrophobicContact CE1-CB 4.16Å
348A90.4Very high73.9Confident18 Ų1893.8 Ų93.815%0.14946%0.461CS..  trans-92.9108.8176.200000108.2L335 L337 M476L335-A348 HydrophobicContact CB-CB 3.93Å; L335-A348 HydrophobicContact CD2-CB 3.64Å; L335-A348 HydrophobicContact CG-CB 3.59Å; L335-A348 VanDerWaalsContact O-CB 3.29Å; L335-A348 WeakPolarHBondContact O-CB 3.44Å; L335-A348 PolarHBondContact O-N 2.99Å; L337-A348 HydrophobicContact CD1-CB 4.16Å; L337-A348 HydrophobicContact CG-CB 3.91Å; A348-M476 HydrophobicContact CB-CE 3.86Å
349Q86.3Confident70.9Confident150 Ų150103.3 Ų103.370%0.70150%0.503SS*.  trans-100.3133.8173.6-70.2-176.9-23.300109.9
350L88.1Confident68Low57 Ų57113.5 Ų113.530%0.29854%0.54SS..  trans-68.4141.3169.3-59.7-179.4000108.9G352 L471 M476L350-G352 PolarHBondContact O-N 3.33Å; L350-G352 VanDerWaalsContact O-N 3.15Å; L350-L471 HydrophobicContact CD2-CD1 3.63Å; L350-L471 HydrophobicContact CD2-CD2 4.12Å; L350-M476 CarbonylContact C-O 3.6Å; L350-M476 WeakPolarHBondContact CA-O 3.39Å; L350-M476 HydrophobicContact CD2-CE 4.35Å
351K80.8Confident65.5Low146 Ų146125 Ų12564%0.63558%0.583SS**  trans-69.8-9.7-175.6-69.2175.9-172152.20113.2K475 M476K351-K475 WeakPolarHBondContact CD-O 3.21Å; K351-K475 WeakPolarHBondContact CE-O 3.13Å; K351-K475 PolarHBondContact NZ-O 2.85Å; K351-M476 PolarHBondContact N-O 2.62Å
352G62.2Low62.7Low34 Ų34131.1 Ų131.135%0.35160%0.599SS.*  trans67.4148.7-170.400000112L350 K354L350-G352 PolarHBondContact O-N 3.33Å; L350-G352 VanDerWaalsContact O-N 3.15Å; G352-K354 PolarHBondContact O-N 3.17Å; G352-K354 VanDerWaalsContact O-N 3.09Å
353C46.1Very low59.8Low87 Ų87127.9 Ų127.959%0.58861%0.606SS**  trans-63.5113.8166.5-93.60000108.3S355C353-S355 VanDerWaalsContact C-N 3.3Å; C353-S355 PolarHBondContact O-N 2.52Å
354K39.9Very low56.8Low196 Ų196135 Ų13585%0.85264%0.636SS**  trans-64.494.7168.4-69.2-178.4-179.7178.20107.8G352 E356G352-K354 PolarHBondContact O-N 3.17Å; G352-K354 VanDerWaalsContact O-N 3.09Å; K354-E356 PolarHBondContact O-N 2.94Å; K354-E356 VanDerWaalsContact O-N 3.16Å
355S37.4Very low53.7Low102 Ų102139.5 Ų139.571%0.71366%0.658SS**  trans-54.7121.8159.459.60000106.7C353 K357C353-S355 VanDerWaalsContact C-N 3.3Å; C353-S355 PolarHBondContact O-N 2.52Å; S355-K357 PolarHBondContact O-N 2.85Å
356E33.7Very low50.5Low188 Ų188143 Ų14388%0.87970%0.696SS**  trans-52.9106.2179.1-72.3-163.7136.300109K354 K358K354-E356 PolarHBondContact O-N 2.94Å; K354-E356 VanDerWaalsContact O-N 3.16Å; E356-K358 PolarHBondContact O-N 3.06Å
357K29.8Very low47.3Very low201 Ų201143.4 Ų143.487%0.87472%0.719SS**  trans-61.696168-78.2-172176.8-176.70106.7S355 K359S355-K357 PolarHBondContact O-N 2.85Å; K357-K359 PolarHBondContact O-N 3.16Å
358K30.5Very low44.1Very low201 Ų201149 Ų14987%0.87474%0.74SS**  trans-45.9109.8166.2-124.4174.6-175.4170.40105.9E356 R360E356-K358 PolarHBondContact O-N 3.06Å; K358-R360 PolarHBondContact O-N 3.08Å
359K32.3Very low41.1Very low205 Ų205154.7 Ų154.789%0.89177%0.773SS**  trans-53.5101.4175-94.5178.7173.7171.30108K357 R361K357-K359 PolarHBondContact O-N 3.16Å; K359-R361 VanDerWaalsContact C-N 3.29Å; K359-R361 PolarHBondContact O-N 3.24Å
360R30.3Very low38.4Very low229 Ų229151.3 Ų151.386%0.86478%0.778SS**  trans-65.295.1164.7-103.3-179.8148-177.5-3.6107.3K358 R362K358-R360 PolarHBondContact O-N 3.08Å; R360-R362 PolarHBondContact O-N 2.91Å
361R38.3Very low35.5Very low248 Ų248158.4 Ų158.494%0.93681%0.81SS**  trans-67.9104.1160.6-105.3178.9160.2175-4.7107.6K359K359-R361 VanDerWaalsContact C-N 3.29Å; K359-R361 PolarHBondContact O-N 3.24Å
362R30.2Very low33Very low230 Ų230155.2 Ų155.287%0.86882%0.819SS**  trans-140.8128.8154.5-100.8-179.8165.7175.7-3.4104.2R360R360-R362 PolarHBondContact O-N 2.91Å
363G28.7Very low31.3Very low75 Ų75159.7 Ų159.777%0.77384%0.844SS**  cis150.9109.616.100000103.2
364K29.5Very low30.3Very low215 Ų215158.9 Ų158.994%0.93585%0.851SS**  trans-77.7121.6-173.2-176.6-179.9-178.9178.50110.7
365K30Very low29.7Very low211 Ų211159.1 Ų159.192%0.91786%0.855SS**  trans-174.6130.9154.8-101.1-179.8178.8-176.20105.9
366G27.2Very low29.1Very low78 Ų78157.8 Ų157.880%0.80486%0.858SS**  cis149.51192.700000108.3
367G26.5Very low28.8Very low76 Ų76158.1 Ų158.178%0.78486%0.859SS**  trans71.1148.1167.300000116.5
368E27.9Very low28.6Very low181 Ų181157.5 Ų157.585%0.84686%0.859SS**  cis-168.31453.5-121.3176.1159.400108.4
369T28.4Very low28.4Very low138 Ų138157.5 Ų157.585%0.84786%0.862SS**  trans35.5131149.657.10000123.4
370G27.7Very low28.1Very low79 Ų79157 Ų15781%0.81486%0.863SS**  trans17496.2151.600000113.7
371E28.5Very low27.9Very low207 Ų207149.8 Ų149.897%0.96786%0.86SS**  trans-72.2144.6164.4-70.3177.914500110.6
372G28Very low27.3Very low79 Ų79142.9 Ų142.981%0.81486%0.856SS**  trans177.9108.4171.800000113.8
373S26.4Very low27.1Very low127 Ų127136.7 Ų136.789%0.88885%0.854SS**  trans-64.5154.1179.150.70000116.6
374G25.6Very low27.1Very low70 Ų70137.9 Ų137.972%0.72286%0.857SS**  trans127.6113.3133.300000118.9
375E26Very low27.1Very low201 Ų201136.6 Ų136.694%0.93985%0.854SS**  trans78.3103.2140.7-58.6-175.217000121.4
376G26.3Very low27.1Very low75 Ų75129 Ų12977%0.77384%0.835SS**  72109.9114.300000120.1
377Q26.6Very low27.4Very low195 Ų195129.7 Ų129.791%0.91183%0.826SS**  trans-164.5154.9138-110.7165.1800112.4
378E25.3Very low27.6Very low188 Ų188130 Ų13088%0.87981%0.812SS**  trans-68.9135.3-159.3-63.1158.1150.500113.9
379E25.7Very low28.1Very low201 Ų201128.4 Ų128.494%0.93981%0.805SS**  trans-85.2106.2164.9-85.2-173.8154.200109.3
380E27.3Very low28.4Very low194 Ų194124.2 Ų124.291%0.90778%0.779SS**PPolyproline II helixtrans-78142.7160.1-88.3-168.6146.600110.7
381G26.4Very low28.8Very low77 Ų77125.1 Ų125.179%0.79476%0.764SS**PPolyproline II helixtrans-68.7152.5-166.300000116.4
382A25.9Very low29Very low104 Ų104120.2 Ų120.286%0.8674%0.739SS**PPolyproline II helixtrans-61.4140.5173.900000113.7
383A25.4Very low29.2Very low99 Ų99123.1 Ų123.182%0.81873%0.732SS**  trans-96.5111.6150.300000108.2Q385A383-Q385 PolarHBondContact O-N 2.91Å
384A27.6Very low29.7Very low101 Ų101121 Ų12184%0.83571%0.71SS**  trans-72.3117169.800000108.9
385Q30.3Very low30Very low187 Ų187122.2 Ų122.287%0.87470%0.703SS**  trans-78.3137166.2-71.3178.7-2.400109A383A383-Q385 PolarHBondContact O-N 2.91Å
386G30.4Very low30.7Very low51 Ų51114.6 Ų114.653%0.52667%0.67SS.*  trans-67.617617800000112.9
387P32.5Very low31.1Very low94 Ų94120.1 Ų120.161%0.6168%0.676SS**PPolyproline II helixtrans-58140.6176.125.5-32.1000110.6I407P387-I407 HydrophobicContact CB-CG2 3.69Å; P387-I407 HydrophobicContact CG-CG2 4.48Å
388V32.2Very low31.6Very low81 Ų81116.4 Ų116.449%0.49166%0.662SS.*EExtended strand (participates in β ladder)trans-92.8122.5177.6-178.60000107.7I408V388-I408 PolarHBondContact N-O 2.85Å; V388-I408 PolarHBondContact O-N 2.88Å
389E37.5Very low31.9Very low149 Ų149110 Ų11070%0.69665%0.646SS**EExtended strand (participates in β ladder)trans-78.6121.7173.6-67.4172.9-179.800108.6
390V34Very low32.5Very low50 Ų50102.8 Ų102.830%0.30362%0.617SS.*EExtended strand (participates in β ladder)trans-106.1113.5171.4-178.80000107.4E406 I408V390-E406 HydrophobicContact CB-CB 4.46Å; V390-E406 PolarHBondContact N-O 3.18Å; V390-E406 PolarHBondContact O-N 2.9Å; V390-I408 HydrophobicContact CG2-CD1 3.94Å; V390-I408 HydrophobicContact CG2-CG1 4.34Å
391I36Very low32.9Very low97 Ų9797 Ų9750%0.49759%0.594SS.*EExtended strand (participates in β ladder)trans-91.2114.9175-58.1174.8000107.2E393 T403I391-E393 HydrophobicContact CG2-CG 4.31Å; I391-T403 HydrophobicContact CG2-CG2 3.47Å; I391-T403 VanDerWaalsContact CG2-CG2 3.47Å
392K33.3Very low33.4Very low104 Ų10496 Ų9645%0.45257%0.569SS.*EExtended strand (participates in β ladder)trans-99.4116.5169.4-80.4175.1178.8157.20108.8I404 E406K392-I404 HydrophobicContact CB-CB 4.35Å; K392-I404 PolarHBondContact N-O 3Å; K392-I404 PolarHBondContact O-N 2.94Å; K392-E406 IonicContact NZ-OE2 3.87Å; K392-E406 PolarHBondContact NZ-OE2 3.14Å
393E32Very low33.8Very low140 Ų14094.9 Ų94.965%0.65455%0.552SS**EExtended strand (participates in β ladder)trans-93121.2171.5-68.3-178.7174.300108.9I391 V401 M402I391-E393 HydrophobicContact CG2-CG 4.31Å; E393-V401 HydrophobicContact CB-CG1 3.91Å; E393-V401 HydrophobicContact CG-CG1 4.02Å; E393-M402 CarbonylContact C-O 3.53Å; E393-M402 VanDerWaalsContact CA-O 3.24Å; E393-M402 WeakPolarHBondContact CA-O 3.22Å
394I38Very low34.7Very low83 Ų8393.8 Ų93.843%0.42653%0.532SS..EExtended strand (participates in β ladder)trans-115.3122.4173.6-56.4174.1000107.1M402 I404I394-M402 HydrophobicContact CB-CB 4.2Å; I394-M402 PolarHBondContact N-O 3.41Å; I394-M402 WeakPolarHBondContact O-CB 3.23Å; I394-M402 PolarHBondContact O-N 2.91Å; I394-I404 HydrophobicContact CD1-CD1 3.72Å
395V32.2Very low35.3Very low95 Ų9594.4 Ų94.458%0.57652%0.515SS*.EExtended strand (participates in β ladder)trans-97.7124.6-179.4-171.20000109.1T400 V401V395-T400 WeakPolarHBondContact CA-O 3.47Å; V395-V401 HydrophobicContact CG2-CG2 4.22Å
396T39.8Very low35.6Very low42 Ų4289.2 Ų89.226%0.25849%0.491SS..  trans-85164.5174.345.10000111.4D398 G399 T400 M402T396-D398 VanDerWaalsContact CB-OD1 3.3Å; T396-D398 WeakPolarHBondContact CB-OD1 3.45Å; T396-D398 PolarHBondContact O-N 2.75Å; T396-D398 VanDerWaalsContact O-N 3.15Å; T396-D398 PolarHBondContact OG1-OD1 2.85Å; T396-G399 PolarHBondContact O-N 2.97Å; T396-T400 PolarHBondContact N-O 3.18Å; T396-T400 VanDerWaalsContact OG1-CB 3.3Å; T396-T400 WeakPolarHBondContact OG1-CB 3.36Å; T396-T400 PolarHBondContact OG1-O 3.41Å; T396-T400 VanDerWaalsContact OG1-O 3.05Å; T396-M402 HydrophobicContact CG2-SD 4.19Å
397E35.5Very low35.8Very low191 Ų19192.3 Ų92.389%0.89350%0.495SS*.THydrogen-bonded Turntrans-61.6-19.9-174.9-73.3164.3-172.900113.8G399E397-G399 VanDerWaalsContact C-N 3.3Å
398D36.4Very low36.2Very low116 Ų11691.4 Ų91.462%0.6248%0.484SS*.THydrogen-bonded Turntrans-84.92.7172.566.3-12.8000113.7T396 T400T396-D398 VanDerWaalsContact CB-OD1 3.3Å; T396-D398 WeakPolarHBondContact CB-OD1 3.45Å; T396-D398 PolarHBondContact O-N 2.75Å; T396-D398 VanDerWaalsContact O-N 3.15Å; T396-D398 PolarHBondContact OG1-OD1 2.85Å; D398-T400 VanDerWaalsContact C-N 3.33Å; D398-T400 VanDerWaalsContact OD1-CB 3.28Å; D398-T400 WeakPolarHBondContact OD1-CB 3.29Å; D398-T400 PolarHBondContact OD1-N 3.44Å; D398-T400 PolarHBondContact OD1-OG1 2.91Å; D398-T400 PolarHBondContact OD2-OG1 3Å
399G32.3Very low36.1Very low53 Ų5391.8 Ų91.855%0.54649%0.488SS..SBendtrans81.16.1-177.200000114.7T396 E397T396-G399 PolarHBondContact O-N 2.97Å; E397-G399 VanDerWaalsContact C-N 3.3Å
400T38.6Very low35.7Very low51 Ų5187.8 Ų87.831%0.31349%0.487SS..  trans-73.3130.2176.7-56.90000110.8V395 T396 D398 V458V395-T400 WeakPolarHBondContact CA-O 3.47Å; T396-T400 PolarHBondContact N-O 3.18Å; T396-T400 VanDerWaalsContact OG1-CB 3.3Å; T396-T400 WeakPolarHBondContact OG1-CB 3.36Å; T396-T400 PolarHBondContact OG1-O 3.41Å; T396-T400 VanDerWaalsContact OG1-O 3.05Å; D398-T400 VanDerWaalsContact C-N 3.33Å; D398-T400 VanDerWaalsContact OD1-CB 3.28Å; D398-T400 WeakPolarHBondContact OD1-CB 3.29Å; D398-T400 PolarHBondContact OD1-N 3.44Å; D398-T400 PolarHBondContact OD1-OG1 2.91Å; D398-T400 PolarHBondContact OD2-OG1 3Å; T400-V458 HydrophobicContact CG2-CG1 3.58Å
401V34.2Very low35.4Very low72 Ų7291.4 Ų91.444%0.43651%0.509SS..EExtended strand (participates in β ladder)trans-98.3107.1-179.1-174.80000109.2E393 V395E393-V401 HydrophobicContact CB-CG1 3.91Å; E393-V401 HydrophobicContact CG-CG1 4.02Å; V395-V401 HydrophobicContact CG2-CG2 4.22Å
402M36.7Very low35Very low55 Ų5595.9 Ų95.927%0.27153%0.528SS..EExtended strand (participates in β ladder)trans-76.9127.4170.7-60.1179.868.600110E393 I394 T396E393-M402 CarbonylContact C-O 3.53Å; E393-M402 VanDerWaalsContact CA-O 3.24Å; E393-M402 WeakPolarHBondContact CA-O 3.22Å; I394-M402 HydrophobicContact CB-CB 4.2Å; I394-M402 PolarHBondContact N-O 3.41Å; I394-M402 WeakPolarHBondContact O-CB 3.23Å; I394-M402 PolarHBondContact O-N 2.91Å; T396-M402 HydrophobicContact CG2-SD 4.19Å
403T35.5Very low34.8Very low81 Ų8197.3 Ų97.350%0.49755%0.545SS..EExtended strand (participates in β ladder)trans-108109.1176.8-55.30000109.7I391I391-T403 HydrophobicContact CG2-CG2 3.47Å; I391-T403 VanDerWaalsContact CG2-CG2 3.47Å
404I43.3Very low34.5Very low76 Ų7698.9 Ų98.939%0.3955%0.552SS.*EExtended strand (participates in β ladder)trans-103.1116176.6-58176.6000108.6K392 I394K392-I404 HydrophobicContact CB-CB 4.35Å; K392-I404 PolarHBondContact N-O 3Å; K392-I404 PolarHBondContact O-N 2.94Å; I394-I404 HydrophobicContact CD1-CD1 3.72Å
405K41.3Very low34.1Very low114 Ų114104.2 Ų104.250%0.49658%0.575SS.*EExtended strand (participates in β ladder)trans-87107.8174.6-68.3171.6-177.2155.30109.8D330D330-K405 IonicContact OD1-NZ 3.74Å; D330-K405 PolarHBondContact OD1-NZ 2.79Å; D330-K405 IonicContact OD2-NZ 2.73Å; D330-K405 PolarHBondContact OD2-NZ 2.87Å
406E35.6Very low34Very low78 Ų78108.5 Ų108.536%0.36459%0.589SS.*EExtended strand (participates in β ladder)trans-103.6124.8173.4-168.2179.6168.300109.4V390 K392 I408V390-E406 HydrophobicContact CB-CB 4.46Å; V390-E406 PolarHBondContact N-O 3.18Å; V390-E406 PolarHBondContact O-N 2.9Å; K392-E406 IonicContact NZ-OE2 3.87Å; K392-E406 PolarHBondContact NZ-OE2 3.14Å; E406-I408 HydrophobicContact CG-CG1 4.34Å
407I35.7Very low33.3Very low116 Ų116111.7 Ų111.760%0.59561%0.614SS**EExtended strand (participates in β ladder)trans-101.2109.9179.7-58177.1000109.3P387P387-I407 HydrophobicContact CB-CG2 3.69Å; P387-I407 HydrophobicContact CG-CG2 4.48Å
408I39.4Very low33Very low76 Ų76111.9 Ų111.939%0.3961%0.614SS.*EExtended strand (participates in β ladder)trans-103.5131.1177.9-53.5179.1000109.8V388 V390 E406 G410V388-I408 PolarHBondContact N-O 2.85Å; V388-I408 PolarHBondContact O-N 2.88Å; V390-I408 HydrophobicContact CG2-CD1 3.94Å; V390-I408 HydrophobicContact CG2-CG1 4.34Å; E406-I408 HydrophobicContact CG-CG1 4.34Å; I408-G410 PolarHBondContact O-N 2.98Å
409P30.9Very low32.6Very low89 Ų89114.9 Ų114.958%0.57863%0.625SS**PPolyproline II helixtrans-69.8125.2171.3-13.527.9000111T411P409-T411 PolarHBondContact O-N 2.8Å
410G28.1Very low32.6Very low65 Ų65121.7 Ų121.767%0.6764%0.642SS**PPolyproline II helixtrans-56.3123.9-178.100000113I408I408-G410 PolarHBondContact O-N 2.98Å
411T28.7Very low32.2Very low125 Ų125128.3 Ų128.377%0.76767%0.67SS**  trans-113136.4168.1-45.90000107.7P409 V413P409-T411 PolarHBondContact O-N 2.8Å; T411-V413 PolarHBondContact O-N 3.33Å
412Q28Very low32.3Very low191 Ų191134.7 Ų134.789%0.89370%0.695SS**  trans-53.6124-177.7-68.8174.4-38.600111E414Q412-E414 PolarHBondContact O-N 2.8Å
413V28Very low31.8Very low135 Ų135135.5 Ų135.582%0.81872%0.717SS**  trans-80.3105.8172.1-177.30000107.2T411T411-V413 PolarHBondContact O-N 3.33Å
414E27.3Very low31.5Very low172 Ų172140.9 Ų140.980%0.80474%0.737SS**  trans-83.2127155-75.7-171.8158.200107.2Q412 E416Q412-E414 PolarHBondContact O-N 2.8Å; E414-E416 PolarHBondContact O-N 2.76Å; E414-E416 VanDerWaalsContact O-N 3.17Å
415E29.7Very low30.9Very low195 Ų195147.2 Ų147.291%0.91176%0.764SS**  trans-64107.6172.6-69.8179.5156.600109.2
416E28.1Very low30.3Very low185 Ų185145 Ų14586%0.86477%0.774SS**  trans-112.1123.1160.9-78.6-167.7158.200109.5E414E414-E416 PolarHBondContact O-N 2.76Å; E414-E416 VanDerWaalsContact O-N 3.17Å
417S25.9Very low30.2Very low110 Ų110146.1 Ų146.177%0.76980%0.797SS**  trans-60142-179.247.80000113.5E419S417-E419 PolarHBondContact O-N 3.37Å
418E30.1Very low30.3Very low194 Ų194145.7 Ų145.791%0.90780%0.804SS**  trans-57.5113.4172.7-63.2171.4166.800111.6
419E27.5Very low30.4Very low180 Ų180145.9 Ų145.984%0.84182%0.817SS**  trans-122.4116.3154.3-74.5-170.4171.200108S417 E421S417-E419 PolarHBondContact O-N 3.37Å; E419-E421 PolarHBondContact O-N 2.91Å
420E33.1Very low31.3Very low195 Ų195148.8 Ų148.891%0.91183%0.826SS**  trans-63.6116.5173.8-63175.5160.800110
421E28.2Very low32.9Very low190 Ų190151.1 Ų151.189%0.88882%0.823SS**  trans-123.7108157.8-81.1-162.9163.500109.2E419 G423E419-E421 PolarHBondContact O-N 2.91Å; E421-G423 PolarHBondContact O-N 2.98Å
422E36.3Very low35.5Very low206 Ų206148.5 Ų148.596%0.96381%0.806SS**  trans-55.9123.5162.8-66.9-177.3152.500109.8
423G27.4Very low38.4Very low72 Ų72144.6 Ų144.674%0.74279%0.788SS**  trans-169.8100.6178.400000114.1E421E421-G423 PolarHBondContact O-N 2.98Å
424E28.2Very low41.6Very low195 Ų195138.2 Ų138.291%0.91175%0.749SS**  trans42.1113.2155.4-69.7179.8155.900118G426E424-G426 VanDerWaalsContact C-N 3.28Å; E424-G426 PolarHBondContact O-N 2.95Å
425E32.1Very low44.7Very low208 Ų208132.3 Ų132.397%0.97273%0.726SS**  trans-51.886.3163.1-70.3-177.315500111.8A427E425-A427 PolarHBondContact O-N 3.24Å
426G28.2Very low47.9Very low67 Ų67124.5 Ų124.569%0.69170%0.695SS**  trans-80.5102.3155.300000107.1E424 S428E424-G426 VanDerWaalsContact C-N 3.28Å; E424-G426 PolarHBondContact O-N 2.95Å; G426-S428 PolarHBondContact O-N 2.99Å
427A32.4Very low51.2Low102 Ų102115.7 Ų115.784%0.84365%0.654SS**  trans-49.5100.6171.200000109.5E425 A429E425-A427 PolarHBondContact O-N 3.24Å; A427-A429 PolarHBondContact O-N 3.5Å
428S37.5Very low54.6Low108 Ų108110.7 Ų110.776%0.75562%0.619SS**  trans-57.4111.1163.3168.50000105.3G426 I430G426-S428 PolarHBondContact O-N 2.99Å; S428-I430 PolarHBondContact O-N 3.37Å
429A41.9Very low57.8Low79 Ų79102.7 Ų102.765%0.65358%0.584SS**  trans-51115.7175.100000107.6A427 L431A427-A429 PolarHBondContact O-N 3.5Å; A429-L431 PolarHBondContact O-N 3.31Å
430I50.2Low61.1Low151 Ų15194.6 Ų94.677%0.77455%0.548SS*.  trans-56114.8176.3-63.1171.7000105.6S428 V432S428-I430 PolarHBondContact O-N 3.37Å; I430-V432 PolarHBondContact O-N 3.29Å
431L62.3Low64.2Low114 Ų11485.7 Ų85.760%0.59751%0.507SS*.  trans-69.699.4176.2-74.4168.4000106.4A429 E433A429-L431 PolarHBondContact O-N 3.31Å; L431-E433 PolarHBondContact O-N 3.29Å
432V82.1Confident67.5Low69 Ų6977.5 Ų77.542%0.41847%0.471SS..  trans-77124.7177.8-167.70000108.2I430 Y469 W479 V481I430-V432 PolarHBondContact O-N 3.29Å; V432-Y469 HydrophobicContact CG1-CE1 4.27Å; V432-W479 WeakPolarHBondContact O-CB 3.38Å; V432-V481 HydrophobicContact CB-CG2 3.82Å; V432-V481 HydrophobicContact CG1-CG2 3.31Å; V432-V481 HydrophobicContact CG2-CG2 4.45Å
433E89.8Confident70.4Confident109 Ų10968.6 Ų68.651%0.50943%0.431SS..  trans-135.2153176.362.4179.1-167.700110.2N333 L431 C435N333-E433 PolarHBondContact ND2-OE1 2.86Å; L431-E433 PolarHBondContact O-N 3.29Å; E433-C435 PolarHBondContact O-N 3.42Å
434P94.3Very high73.7Confident1 Ų166.2 Ų66.21%0.00640%0.402CS..PPolyproline II helixtrans-63.8134.7176.3-8.620.1000110.1F315 N333 L451 Y469 W479F315-P434 HydrophobicContact CE1-CB 4.46Å; F315-P434 HydrophobicContact CE2-CB 4.45Å; F315-P434 HydrophobicContact CE2-CG 4.23Å; F315-P434 HydrophobicContact CZ-CB 3.77Å; F315-P434 HydrophobicContact CZ-CG 4.02Å; N333-P434 WeakPolarHBondContact CB-O 3.39Å; P434-L451 HydrophobicContact CB-CD2 3.82Å; P434-L451 HydrophobicContact CG-CD2 3.82Å; P434-Y469 HydrophobicContact CB-CD1 4.49Å; P434-Y469 HydrophobicContact CB-CD2 3.77Å; P434-Y469 HydrophobicContact CB-CE1 4.42Å; P434-Y469 HydrophobicContact CB-CE2 3.67Å; P434-Y469 HydrophobicContact CB-CG 4.2Å; P434-Y469 HydrophobicContact CG-CD1 3.97Å; P434-Y469 HydrophobicContact CG-CD2 3.77Å; P434-Y469 HydrophobicContact CG-CE1 4.31Å; P434-Y469 HydrophobicContact CG-CE2 4.11Å; P434-Y469 HydrophobicContact CG-CG 3.7Å; P434-W479 HydrophobicContact CG-CD2 3.93Å; P434-W479 HydrophobicContact CG-CE3 4.11Å; P434-W479 HydrophobicContact CG-CG 4.46Å; P434-W479 HydrophobicContact CG-CH2 4.19Å; P434-W479 HydrophobicContact CG-CZ2 4.03Å; P434-W479 HydrophobicContact CG-CZ3 4.23Å
435C93.9Very high77Confident48 Ų4857.5 Ų57.532%0.32436%0.361SS..PPolyproline II helixtrans-60.5164.4173.575.40000112.1E433 R437E433-C435 PolarHBondContact O-N 3.42Å; C435-R437 PolarHBondContact O-N 3.21Å; C435-R437 PolarHBondContact O-NE 3.3Å; C435-R437 PolarHBondContact SG-NH2 2.79Å
436A96.1Very high79.9Confident31 Ų3154.4 Ų54.426%0.25634%0.342SS..SBendtrans-59.3133.1173.400000110.4F331 Y332 N333F331-A436 HydrophobicContact CB-CB 3.77Å; Y332-A436 WeakPolarHBondContact O-CA 3.47Å; N333-A436 HydrophobicContact CB-CB 4.22Å
437R97.1Very high83Confident1 Ų151.4 Ų51.40%0.00431%0.311CS..  trans-163.8154.8-173.664.1-171.474.7-164.6-3.6113.2F315 G317 Y332 C435 A440 G453 M455 L465 D467F315-R437 HydrophobicContact CE1-CG 3.84Å; G317-R437 PolarHBondContact N-O 2.91Å; Y332-R437 PolarHBondContact O-N 3.34Å; C435-R437 PolarHBondContact O-N 3.21Å; C435-R437 PolarHBondContact O-NE 3.3Å; C435-R437 PolarHBondContact SG-NH2 2.79Å; R437-A440 HydrophobicContact CG-CB 4.18Å; R437-G453 WeakPolarHBondContact CD-O 3.46Å; R437-G453 PolarHBondContact NH1-O 2.78Å; R437-M455 CarbonylContact C-O 3.6Å; R437-M455 WeakPolarHBondContact CA-O 3.23Å; R437-M455 WeakPolarHBondContact CB-O 3.29Å; R437-L465 HydrophobicContact CB-CD1 4.27Å; R437-D467 IonicContact CZ-OD1 3.21Å; R437-D467 IonicContact CZ-OD2 3.53Å; R437-D467 VanDerWaalsContact NH1-CG 3.3Å; R437-D467 IonicContact NH1-OD1 2.8Å; R437-D467 PolarHBondContact NH1-OD1 3.23Å; R437-D467 IonicContact NH1-OD2 3.18Å; R437-D467 PolarHBondContact NH1-OD2 2.99Å; R437-D467 IonicContact NH2-OD1 2.67Å; R437-D467 IonicContact NH2-OD2 2.91Å; R437-D467 PolarHBondContact NH2-OD2 2.93Å
438S97.3Very high86Confident5 Ų549.4 Ų49.44%0.03528%0.283CS..BIsolated β-bridgetrans-111.7166.7167.878.30000110.8A440 G454 M455S438-A440 PolarHBondContact O-N 3.05Å; S438-G454 CarbonylContact O-C 3.53Å; S438-G454 VanDerWaalsContact O-CA 3.25Å; S438-G454 WeakPolarHBondContact O-CA 3.31Å; S438-M455 PolarHBondContact N-O 3.2Å; S438-M455 PolarHBondContact O-N 2.91Å; S438-M455 WeakPolarHBondContact OG-CG 3.23Å
439S97.3Very high88.9Confident25 Ų2544.4 Ų44.418%0.17525%0.248CC..SBendtrans57.322169.4-57.70000115.1N67 G301N67-S439 PolarHBondContact N-O 2.98Å; N67-S439 WeakPolarHBondContact OD1-CB 3.26Å; N67-S439 PolarHBondContact OD1-OG 2.9Å; G301-S439 PolarHBondContact O-N 3.35Å
440A97.7Very high91.6Very high10 Ų1041.2 Ų41.28%0.08322%0.219CC..  trans-70.3154.8173.600000110.9S303 R437 S438 L451 G453S303-A440 WeakPolarHBondContact CB-O 3.46Å; S303-A440 VanDerWaalsContact OG-C 3.27Å; S303-A440 PolarHBondContact OG-O 2.96Å; R437-A440 HydrophobicContact CG-CB 4.18Å; S438-A440 PolarHBondContact O-N 3.05Å; A440-L451 HydrophobicContact CB-CD1 3.72Å; A440-L451 HydrophobicContact CB-CG 4.33Å; A440-G453 WeakPolarHBondContact CB-O 3.19Å
441M98Very high93.9Very high8 Ų834 Ų344%0.03918%0.182CC..EExtended strand (participates in β ladder)trans-100.8124.1-179.2-60.1126-58.200109.7R65 A68 L70 L81 L451 Y452R65-M441 HydrophobicContact CG-SD 4.47Å; R65-M441 WeakPolarHBondContact O-CE 3.35Å; A68-M441 HydrophobicContact CB-CG 4.22Å; A68-M441 HydrophobicContact CB-SD 3.33Å; A68-M441 WeakPolarHBondContact CB-SD 3.3Å; A68-M441 WeakPolarHBondContact O-CG 3.44Å; L70-M441 HydrophobicContact CB-CB 3.54Å; L70-M441 HydrophobicContact CD2-CB 4.5Å; L81-M441 HydrophobicContact CD1-SD 4.07Å; M441-L451 WeakPolarHBondContact O-CA 3.24Å; M441-Y452 VanDerWaalsContact CE-C 3.5Å; M441-Y452 HydrophobicContact CE-CD1 3.48Å; M441-Y452 VanDerWaalsContact CE-CD1 3.48Å; M441-Y452 HydrophobicContact CE-CE1 4.22Å; M441-Y452 HydrophobicContact CE-CG 4.29Å; M441-Y452 WeakPolarHBondContact CE-O 3.45Å; M441-Y452 PolarHBondContact N-O 2.96Å; M441-Y452 PolarHBondContact O-N 2.85Å; M441-Y452 HydrophobicContact SD-CD1 4.11Å
442A97.7Very high95.6Very high18 Ų1828.6 Ų28.615%0.14915%0.154CC..EExtended strand (participates in β ladder)trans-124138.1-176.200000112.1A305 L449 Y450 L451A305-A442 HydrophobicContact CB-CB 4.07Å; A442-L449 HydrophobicContact CB-CD1 4.24Å; A442-Y450 VanDerWaalsContact CA-O 3.28Å; A442-Y450 WeakPolarHBondContact CA-O 3.49Å; A442-L451 HydrophobicContact CB-CD1 4.08Å
443T97.8Very high96.3Very high19 Ų1925.3 Ų25.312%0.11713%0.134CC..EExtended strand (participates in β ladder)trans-148.4158.7172.5-1560000111.4L70 A72 L79 Y450L70-T443 HydrophobicContact CD2-CG2 3.93Å; L70-T443 HydrophobicContact CG-CG2 3.83Å; A72-T443 PolarHBondContact N-OG1 3.36Å; L79-T443 HydrophobicContact CD1-CG2 4.38Å; L79-T443 HydrophobicContact CD2-CG2 3.8Å; T443-Y450 PolarHBondContact N-O 2.92Å; T443-Y450 PolarHBondContact O-N 2.82Å
444V96.8Very high96.7Very high23 Ų2320.1 Ų20.114%0.13911%0.11CC..EExtended strand (participates in β ladder)trans-116.7131.8176.3173.70000109.9A305 L313 K448 L449 L473A305-V444 HydrophobicContact CB-CG2 3.88Å; L313-V444 HydrophobicContact CD1-CG2 3.98Å; V444-K448 VanDerWaalsContact CA-O 3.3Å; V444-K448 WeakPolarHBondContact CA-O 3.4Å; V444-L449 HydrophobicContact CG2-CB 4.35Å; V444-L449 HydrophobicContact CG2-CD1 4.08Å; V444-L473 HydrophobicContact CG1-CD1 4.17Å; V444-L473 HydrophobicContact CG2-CD1 3.97Å
445K95.8Very high96.8Very high11 Ų1120.6 Ų20.65%0.04811%0.112CC..EExtended strand (participates in β ladder)trans-139.2129.4172.5-170.4162.3171.273.40110.1A72 H73 K76 E78 L79 L103 G447 K448 Y450A72-K445 HydrophobicContact CB-CB 3.98Å; A72-K445 HydrophobicContact CB-CD 3.91Å; A72-K445 HydrophobicContact CB-CG 4.21Å; H73-K445 PolarHBondContact O-NZ 2.84Å; K76-K445 WeakPolarHBondContact O-CE 3.5Å; K76-K445 PolarHBondContact O-NZ 3.03Å; E78-K445 WeakPolarHBondContact O-CD 3.4Å; E78-K445 WeakPolarHBondContact O-CE 3.49Å; L79-K445 HydrophobicContact CD2-CB 4.07Å; L79-K445 HydrophobicContact CD2-CD 3.86Å; L103-K445 HydrophobicContact CD1-CB 4.36Å; L103-K445 HydrophobicContact CD1-CD 3.63Å; L103-K445 HydrophobicContact CD1-CG 3.92Å; K445-G447 PolarHBondContact O-N 3.29Å; K445-K448 PolarHBondContact N-O 2.8Å; K445-K448 PolarHBondContact O-N 2.75Å; K445-Y450 HydrophobicContact CB-CE2 4.06Å
446Y93.8Very high96.9Very high143 Ų14319.5 Ų19.556%0.56110%0.102SC*.THydrogen-bonded Turntrans51.235.6-176.4-52.6-55.2000114.9D77 L103 K448D77-Y446 WeakPolarHBondContact OD1-CE2 3.36Å; D77-Y446 PolarHBondContact OD1-OH 3.06Å; D77-Y446 VanDerWaalsContact OD1-OH 3.11Å; L103-Y446 HydrophobicContact CD1-CD2 4.24Å; L103-Y446 HydrophobicContact CD1-CE2 4.36Å; Y446-K448 PolarHBondContact O-N 3.04Å
447G93.6Very high96.7Very high4 Ų422 Ų224%0.04111%0.108CC..THydrogen-bonded Turntrans72.513.8-179.200000114.5K445 L473K445-G447 PolarHBondContact O-N 3.29Å; G447-L473 WeakPolarHBondContact O-CB 3.31Å; G447-L473 WeakPolarHBondContact O-CG 3.35Å; G447-L473 PolarHBondContact O-N 2.9Å
448K95.8Very high96.2Very high61 Ų6123.7 Ų23.727%0.26512%0.119SC..EExtended strand (participates in β ladder)trans-103.6130.6165.5-71.3178.9157.2-1440109.5V444 K445 Y446 Y450 L471 D472 E480V444-K448 VanDerWaalsContact CA-O 3.3Å; V444-K448 WeakPolarHBondContact CA-O 3.4Å; K445-K448 PolarHBondContact N-O 2.8Å; K445-K448 PolarHBondContact O-N 2.75Å; Y446-K448 PolarHBondContact O-N 3.04Å; K448-Y450 HydrophobicContact CB-CD2 4.47Å; K448-Y450 HydrophobicContact CB-CE2 3.68Å; K448-Y450 WeakPolarHBondContact O-CD2 3.44Å; K448-L471 CarbonylContact C-O 3.48Å; K448-L471 VanDerWaalsContact CA-O 3.29Å; K448-L471 WeakPolarHBondContact CA-O 3.42Å; K448-D472 HydrophobicContact CG-CB 4.49Å; K448-E480 IonicContact NZ-OE2 2.75Å; K448-E480 PolarHBondContact NZ-OE2 3.2Å
449L97.3Very high95.7Very high3 Ų326.6 Ų26.62%0.01615%0.149CC..EExtended strand (participates in β ladder)trans-81.7132.1168170.966.9000108.2A305 L313 L335 A442 V444 C470 L471 L473 W479A305-L449 HydrophobicContact CB-CD1 3.83Å; L313-L449 HydrophobicContact CD2-CD2 4.28Å; L335-L449 HydrophobicContact CD1-CD2 4.02Å; A442-L449 HydrophobicContact CB-CD1 4.24Å; V444-L449 HydrophobicContact CG2-CB 4.35Å; V444-L449 HydrophobicContact CG2-CD1 4.08Å; L449-C470 CarbonylContact O-C 3.57Å; L449-C470 VanDerWaalsContact O-CA 3.23Å; L449-C470 WeakPolarHBondContact O-CA 3.46Å; L449-L471 HydrophobicContact CB-CB 4.37Å; L449-L471 PolarHBondContact N-O 2.84Å; L449-L471 PolarHBondContact O-N 2.96Å; L449-L473 HydrophobicContact CB-CD1 4.32Å; L449-L473 HydrophobicContact CB-CD2 3.86Å; L449-L473 HydrophobicContact CB-CG 4.22Å; L449-W479 HydrophobicContact CD2-CH2 3.73Å; L449-W479 HydrophobicContact CD2-CZ3 4.29Å; L449-W479 HydrophobicContact CG-CH2 4.47Å
450Y98.3Very high95Very high12 Ų1233.5 Ų33.55%0.04718%0.184CC..EExtended strand (participates in β ladder)trans-114.5134.3171.3-62.1-92.3000108.6L79 L103 A442 T443 K445 K448 Y469 C470 L482L79-Y450 HydrophobicContact CD1-CD1 3.74Å; L79-Y450 HydrophobicContact CD1-CD2 3.96Å; L79-Y450 HydrophobicContact CD1-CE1 4.35Å; L79-Y450 HydrophobicContact CD1-CG 3.51Å; L79-Y450 HydrophobicContact CD2-CD2 4.16Å; L79-Y450 HydrophobicContact CD2-CE2 4.43Å; L103-Y450 HydrophobicContact CD2-CD1 4.49Å; L103-Y450 HydrophobicContact CD2-CE1 3.67Å; L103-Y450 HydrophobicContact CD2-CE2 4.2Å; L103-Y450 WeakPolarHBondContact CD2-OH 3.36Å; A442-Y450 VanDerWaalsContact CA-O 3.28Å; A442-Y450 WeakPolarHBondContact CA-O 3.49Å; T443-Y450 PolarHBondContact N-O 2.92Å; T443-Y450 PolarHBondContact O-N 2.82Å; K445-Y450 HydrophobicContact CB-CE2 4.06Å; K448-Y450 HydrophobicContact CB-CD2 4.47Å; K448-Y450 HydrophobicContact CB-CE2 3.68Å; K448-Y450 WeakPolarHBondContact O-CD2 3.44Å; Y450-Y469 VanDerWaalsContact CA-O 3.32Å; Y450-Y469 WeakPolarHBondContact CA-O 3.37Å; Y450-C470 HydrophobicContact CD1-CB 4Å; Y450-C470 HydrophobicContact CE1-CB 3.93Å; Y450-L482 HydrophobicContact CD1-CD1 3.99Å; Y450-L482 HydrophobicContact CE1-CD1 3.91Å
451L98.3Very high94.6Very high0 Ų036.2 Ų36.20%019%0.192CC..EExtended strand (participates in β ladder)trans-128.2122179.6-176.276.5000108.3F315 P434 A440 M441 A442 L468 Y469 W479F315-L451 HydrophobicContact CD1-CD1 3.73Å; F315-L451 HydrophobicContact CD1-CD2 3.52Å; F315-L451 HydrophobicContact CD1-CG 4.29Å; F315-L451 HydrophobicContact CD2-CD2 4.44Å; F315-L451 HydrophobicContact CE1-CD1 4.29Å; F315-L451 HydrophobicContact CE1-CD2 3.28Å; F315-L451 HydrophobicContact CE1-CG 4.4Å; F315-L451 HydrophobicContact CE2-CD2 4.22Å; F315-L451 HydrophobicContact CG-CD1 4.29Å; F315-L451 HydrophobicContact CG-CD2 4.13Å; F315-L451 HydrophobicContact CZ-CD2 3.68Å; P434-L451 HydrophobicContact CB-CD2 3.82Å; P434-L451 HydrophobicContact CG-CD2 3.82Å; A440-L451 HydrophobicContact CB-CD1 3.72Å; A440-L451 HydrophobicContact CB-CG 4.33Å; M441-L451 WeakPolarHBondContact O-CA 3.24Å; A442-L451 HydrophobicContact CB-CD1 4.08Å; L451-L468 WeakPolarHBondContact O-CA 3.36Å; L451-Y469 PolarHBondContact N-O 3.01Å; L451-Y469 PolarHBondContact O-N 2.84Å; L451-W479 HydrophobicContact CB-CZ3 4.33Å
452Y98.5Very high94.3Very high0 Ų037.5 Ų37.50%020%0.198CC..EExtended strand (participates in β ladder)trans-119.8144.7179.6-176.8-106.2000109.7P62 S63 R65 L81 W108 M441 N466 D467 L468P62-Y452 WeakPolarHBondContact CB-OH 3.38Å; P62-Y452 PolarHBondContact O-OH 2.89Å; S63-Y452 PolarHBondContact O-OH 3.38Å; R65-Y452 HydrophobicContact CG-CE1 3.71Å; L81-Y452 HydrophobicContact CD1-CD1 3.9Å; L81-Y452 HydrophobicContact CD1-CE1 4.18Å; L81-Y452 HydrophobicContact CD2-CD1 4.01Å; L81-Y452 HydrophobicContact CD2-CE1 3.56Å; W108-Y452 HydrophobicContact CH2-CD2 4.49Å; W108-Y452 HydrophobicContact CH2-CE2 4.41Å; W108-Y452 HydrophobicContact CZ2-CD2 4.34Å; W108-Y452 HydrophobicContact CZ2-CE2 4.17Å; M441-Y452 VanDerWaalsContact CE-C 3.5Å; M441-Y452 HydrophobicContact CE-CD1 3.48Å; M441-Y452 VanDerWaalsContact CE-CD1 3.48Å; M441-Y452 HydrophobicContact CE-CE1 4.22Å; M441-Y452 HydrophobicContact CE-CG 4.29Å; M441-Y452 WeakPolarHBondContact CE-O 3.45Å; M441-Y452 PolarHBondContact N-O 2.96Å; M441-Y452 PolarHBondContact O-N 2.85Å; M441-Y452 HydrophobicContact SD-CD1 4.11Å; Y452-N466 HydrophobicContact CE2-CB 4.29Å; Y452-N466 VanDerWaalsContact CE2-O 3.22Å; Y452-N466 WeakPolarHBondContact CE2-O 3.36Å; Y452-N466 WeakPolarHBondContact OH-CB 3.27Å; Y452-D467 WeakPolarHBondContact CA-O 3.28Å; Y452-D467 VanDerWaalsContact CD2-O 3.31Å; Y452-D467 WeakPolarHBondContact CD2-O 3.16Å; Y452-L468 HydrophobicContact CD2-CB 4.04Å; Y452-L468 HydrophobicContact CD2-CD1 4.03Å; Y452-L468 HydrophobicContact CG-CD1 4.44Å
453G97.9Very high94.1Very high0 Ų037.8 Ų37.80%020%0.196CC..EExtended strand (participates in β ladder)trans50-140.8166.500000115.9R437 A440 L465 D467R437-G453 WeakPolarHBondContact CD-O 3.46Å; R437-G453 PolarHBondContact NH1-O 2.78Å; A440-G453 WeakPolarHBondContact CB-O 3.19Å; G453-L465 WeakPolarHBondContact CA-O 3.49Å; G453-D467 PolarHBondContact N-O 3.4Å
454G97.8Very high94Very high0 Ų036.9 Ų36.90%019%0.19CC..EExtended strand (participates in β ladder)trans98.1-162.8-169.700000111.9R65 S438 L465R65-G454 PolarHBondContact O-N 2.93Å; R65-G454 VanDerWaalsContact O-N 3.09Å; S438-G454 CarbonylContact O-C 3.53Å; S438-G454 VanDerWaalsContact O-CA 3.25Å; S438-G454 WeakPolarHBondContact O-CA 3.31Å; G454-L465 PolarHBondContact O-N 2.84Å
455M96.4Very high94Very high11 Ų1135.8 Ų35.85%0.05418%0.184CC..EExtended strand (participates in β ladder)trans-151161.7-177.160.7131.6-6700112.7L66 F331 R437 S438 E457 Q462 F463L66-M455 HydrophobicContact CB-CG 4.45Å; L66-M455 HydrophobicContact CD1-CB 4.1Å; L66-M455 HydrophobicContact CD1-CG 3.56Å; L66-M455 HydrophobicContact CD1-SD 3.97Å; F331-M455 HydrophobicContact CE1-CE 3.39Å; F331-M455 HydrophobicContact CZ-CE 3.39Å; R437-M455 CarbonylContact C-O 3.6Å; R437-M455 WeakPolarHBondContact CA-O 3.23Å; R437-M455 WeakPolarHBondContact CB-O 3.29Å; S438-M455 PolarHBondContact N-O 3.2Å; S438-M455 PolarHBondContact O-N 2.91Å; S438-M455 WeakPolarHBondContact OG-CG 3.23Å; M455-E457 HydrophobicContact CE-CG 3.75Å; M455-Q462 HydrophobicContact CB-CG 4.36Å; M455-Q462 HydrophobicContact CE-CG 4.31Å; M455-Q462 HydrophobicContact SD-CG 4.26Å; M455-F463 CarbonylContact C-O 3.57Å; M455-F463 WeakPolarHBondContact CA-O 3.22Å; M455-F463 VanDerWaalsContact CB-O 3.28Å; M455-F463 WeakPolarHBondContact CB-O 3.44Å
456F95.1Very high94.1Very high25 Ų2536.3 Ų36.311%0.1119%0.187CC..EExtended strand (participates in β ladder)trans-144.4167.6163.169.1-84.6000109.4F331 V458 F463 L465 P487F331-F456 HydrophobicContact CD1-CB 4.19Å; F331-F456 HydrophobicContact CD2-CB 4.31Å; F331-F456 HydrophobicContact CE1-CB 4.43Å; F331-F456 HydrophobicContact CG-CB 4.14Å; F456-V458 HydrophobicContact CD2-CG2 3.95Å; F456-V458 HydrophobicContact CE2-CG2 3.67Å; F456-F463 HydrophobicContact CD1-CB 3.91Å; F456-F463 HydrophobicContact CD2-CB 4.38Å; F456-F463 HydrophobicContact CD2-CD2 4.18Å; F456-F463 HydrophobicContact CE1-CB 3.46Å; F456-F463 VanDerWaalsContact CE1-CB 3.46Å; F456-F463 HydrophobicContact CE1-CG 4.09Å; F456-F463 HydrophobicContact CE2-CB 3.98Å; F456-F463 AromaticContact CE2-CD2 3.56Å; F456-F463 HydrophobicContact CE2-CD2 3.56Å; F456-F463 HydrophobicContact CE2-CE2 4.26Å; F456-F463 AromaticContact CE2-CG 3.89Å; F456-F463 HydrophobicContact CE2-CG 3.89Å; F456-F463 HydrophobicContact CG-CB 4.35Å; F456-F463 HydrophobicContact CZ-CB 3.5Å; F456-F463 VanDerWaalsContact CZ-CB 3.5Å; F456-F463 HydrophobicContact CZ-CD1 4.29Å; F456-F463 AromaticContact CZ-CD2 3.78Å; F456-F463 HydrophobicContact CZ-CD2 3.78Å; F456-F463 AromaticContact CZ-CG 3.59Å; F456-F463 HydrophobicContact CZ-CG 3.59Å; F456-F463 PolarHBondContact N-O 3.15Å; F456-F463 PolarHBondContact O-N 2.85Å; F456-L465 HydrophobicContact CD1-CD1 4.25Å; F456-L465 HydrophobicContact CD1-CD2 4.46Å; F456-L465 HydrophobicContact CE1-CD2 4.05Å; F456-P487 HydrophobicContact CE1-CB 4.27Å; F456-P487 HydrophobicContact CE1-CG 4.23Å; F456-P487 HydrophobicContact CZ-CB 4.09Å; F456-P487 HydrophobicContact CZ-CG 4.34Å
457E92.6Very high94.2Very high84 Ų8429.8 Ų29.839%0.39316%0.162SC..EExtended strand (participates in β ladder)trans-122.8148.4-179.5-73.1156.6-166.600110.9F331 M455 R461 Q462F331-E457 HydrophobicContact CE2-CB 3.89Å; F331-E457 HydrophobicContact CZ-CB 4.1Å; F331-E457 HydrophobicContact CZ-CG 4.21Å; M455-E457 HydrophobicContact CE-CG 3.75Å; E457-R461 VanDerWaalsContact CA-O 3.31Å; E457-R461 WeakPolarHBondContact CA-O 3.43Å; E457-Q462 HydrophobicContact CG-CB 4.29Å; E457-Q462 HydrophobicContact CG-CG 4.35Å
458V87.2Confident94.4Very high36 Ų3629.6 Ų29.622%0.21816%0.16CC..EExtended strand (participates in β ladder)trans-138.1112.1169.7-175.70000107.4T400 F456 D460 R461 F463T400-V458 HydrophobicContact CG2-CG1 3.58Å; F456-V458 HydrophobicContact CD2-CG2 3.95Å; F456-V458 HydrophobicContact CE2-CG2 3.67Å; V458-D460 PolarHBondContact O-N 2.91Å; V458-R461 PolarHBondContact N-O 2.56Å; V458-R461 PolarHBondContact O-N 3.16Å; V458-R461 VanDerWaalsContact O-N 3.15Å; V458-F463 HydrophobicContact CB-CE2 4.08Å; V458-F463 HydrophobicContact CG2-CD2 4.32Å; V458-F463 HydrophobicContact CG2-CE2 4.03Å
459G85.7Confident94.5Very high66 Ų6627.6 Ų27.668%0.6815%0.151SC*.THydrogen-bonded Turntrans58.6-133.2-167.400000110.4R461G459-R461 VanDerWaalsContact C-N 3.27Å; G459-R461 PolarHBondContact O-N 3Å
460D82.6Confident94.5Very high169 Ų16927.5 Ų27.590%0.90415%0.151SC*.THydrogen-bonded Turntrans-83.7-2.3178.4-58.9-38.9000113.4V458V458-D460 PolarHBondContact O-N 2.91Å
461R89.4Confident94.4Very high68 Ų6827 Ų2726%0.25715%0.148SC..EExtended strand (participates in β ladder)trans-92.9126.7-175.3-178.5166.3176.9-171.62112.1E457 V458 G459 F463 Q490 W492E457-R461 VanDerWaalsContact CA-O 3.31Å; E457-R461 WeakPolarHBondContact CA-O 3.43Å; V458-R461 PolarHBondContact N-O 2.56Å; V458-R461 PolarHBondContact O-N 3.16Å; V458-R461 VanDerWaalsContact O-N 3.15Å; G459-R461 VanDerWaalsContact C-N 3.27Å; G459-R461 PolarHBondContact O-N 3Å; R461-F463 HydrophobicContact CB-CE2 4.21Å; R461-F463 HydrophobicContact CG-CD2 4.22Å; R461-F463 HydrophobicContact CG-CE2 3.68Å; R461-F463 HydrophobicContact CG-CZ 3.88Å; R461-F463 VanDerWaalsContact CZ-CE1 3.49Å; R461-F463 VanDerWaalsContact NE-CZ 3.34Å; R461-Q490 PolarHBondContact NH2-O 3.22Å; R461-W492 HydrophobicContact CB-CD2 4.42Å; R461-W492 HydrophobicContact CB-CH2 4.45Å; R461-W492 HydrophobicContact CB-CZ2 4.17Å; R461-W492 HydrophobicContact CG-CD2 3.62Å; R461-W492 HydrophobicContact CG-CE3 3.73Å; R461-W492 HydrophobicContact CG-CG 4.07Å; R461-W492 HydrophobicContact CG-CH2 4.25Å; R461-W492 HydrophobicContact CG-CZ2 4.18Å; R461-W492 HydrophobicContact CG-CZ3 4.05Å
462Q91.2Very high94.2Very high34 Ų3428.4 Ų28.416%0.15916%0.156CC..EExtended strand (participates in β ladder)trans-94.6125.6171.7-172.3-172.1-52.800111.2M455 E457 T464 W492M455-Q462 HydrophobicContact CB-CG 4.36Å; M455-Q462 HydrophobicContact CE-CG 4.31Å; M455-Q462 HydrophobicContact SD-CG 4.26Å; E457-Q462 HydrophobicContact CG-CB 4.29Å; E457-Q462 HydrophobicContact CG-CG 4.35Å; Q462-T464 PolarHBondContact NE2-OG1 2.91Å; Q462-W492 HydrophobicContact CB-CH2 4.34Å; Q462-W492 HydrophobicContact CB-CZ3 4.11Å; Q462-W492 WeakPolarHBondContact O-CZ3 3.26Å
463F94.3Very high93.9Very high24 Ų2429.9 Ų29.911%0.10516%0.164CC..EExtended strand (participates in β ladder)trans-101123.3170.8-66.5-90.4000109.6M455 F456 V458 R461 P487M455-F463 CarbonylContact C-O 3.57Å; M455-F463 WeakPolarHBondContact CA-O 3.22Å; M455-F463 VanDerWaalsContact CB-O 3.28Å; M455-F463 WeakPolarHBondContact CB-O 3.44Å; F456-F463 HydrophobicContact CD1-CB 3.91Å; F456-F463 HydrophobicContact CD2-CB 4.38Å; F456-F463 HydrophobicContact CD2-CD2 4.18Å; F456-F463 HydrophobicContact CE1-CB 3.46Å; F456-F463 VanDerWaalsContact CE1-CB 3.46Å; F456-F463 HydrophobicContact CE1-CG 4.09Å; F456-F463 HydrophobicContact CE2-CB 3.98Å; F456-F463 AromaticContact CE2-CD2 3.56Å; F456-F463 HydrophobicContact CE2-CD2 3.56Å; F456-F463 HydrophobicContact CE2-CE2 4.26Å; F456-F463 AromaticContact CE2-CG 3.89Å; F456-F463 HydrophobicContact CE2-CG 3.89Å; F456-F463 HydrophobicContact CG-CB 4.35Å; F456-F463 HydrophobicContact CZ-CB 3.5Å; F456-F463 VanDerWaalsContact CZ-CB 3.5Å; F456-F463 HydrophobicContact CZ-CD1 4.29Å; F456-F463 AromaticContact CZ-CD2 3.78Å; F456-F463 HydrophobicContact CZ-CD2 3.78Å; F456-F463 AromaticContact CZ-CG 3.59Å; F456-F463 HydrophobicContact CZ-CG 3.59Å; F456-F463 PolarHBondContact N-O 3.15Å; F456-F463 PolarHBondContact O-N 2.85Å; V458-F463 HydrophobicContact CB-CE2 4.08Å; V458-F463 HydrophobicContact CG2-CD2 4.32Å; V458-F463 HydrophobicContact CG2-CE2 4.03Å; R461-F463 HydrophobicContact CB-CE2 4.21Å; R461-F463 HydrophobicContact CG-CD2 4.22Å; R461-F463 HydrophobicContact CG-CE2 3.68Å; R461-F463 HydrophobicContact CG-CZ 3.88Å; R461-F463 VanDerWaalsContact CZ-CE1 3.49Å; R461-F463 VanDerWaalsContact NE-CZ 3.34Å; F463-P487 HydrophobicContact CD1-CB 3.95Å
464T96.6Very high93.6Very high0 Ų036.2 Ų36.20%019%0.193CC..EExtended strand (participates in β ladder)trans-108136.6178-54.60000109P64 L66 F86 Q462 Q490P64-T464 HydrophobicContact CB-CG2 3.95Å; P64-T464 WeakPolarHBondContact CB-O 2.88Å; L66-T464 HydrophobicContact CD2-CG2 3.77Å; F86-T464 HydrophobicContact CD2-CG2 3.98Å; Q462-T464 PolarHBondContact NE2-OG1 2.91Å; T464-Q490 PolarHBondContact O-OE1 2.6Å; T464-Q490 VanDerWaalsContact O-OE1 3.09Å
465L96.7Very high93.3Very high1 Ų141.8 Ų41.81%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-108.6152.2-167.9-57.7174.6000112.1P64 R65 R437 G453 G454 F456 P487P64-L465 WeakPolarHBondContact CA-O 3.38Å; R65-L465 PolarHBondContact N-O 2.89Å; R437-L465 HydrophobicContact CB-CD1 4.27Å; G453-L465 WeakPolarHBondContact CA-O 3.49Å; G454-L465 PolarHBondContact O-N 2.84Å; F456-L465 HydrophobicContact CD1-CD1 4.25Å; F456-L465 HydrophobicContact CD1-CD2 4.46Å; F456-L465 HydrophobicContact CE1-CD2 4.05Å; L465-P487 HydrophobicContact CD2-CG 4.12Å
466N96.4Very high93Very high22 Ų2242.3 Ų42.312%0.11822%0.22CC..EExtended strand (participates in β ladder)trans-134.717.1167.761-17.1000113P62 P64 Y452 M485P62-N466 VanDerWaalsContact O-CB 3.28Å; P62-N466 WeakPolarHBondContact O-CB 3.21Å; P62-N466 PolarHBondContact O-ND2 2.86Å; P62-N466 VanDerWaalsContact O-ND2 3.15Å; P64-N466 HydrophobicContact CG-CB 4.29Å; Y452-N466 HydrophobicContact CE2-CB 4.29Å; Y452-N466 VanDerWaalsContact CE2-O 3.22Å; Y452-N466 WeakPolarHBondContact CE2-O 3.36Å; Y452-N466 WeakPolarHBondContact OH-CB 3.27Å; N466-M485 WeakPolarHBondContact OD1-CB 3.21Å; N466-M485 WeakPolarHBondContact OD1-CG 3.47Å; N466-M485 PolarHBondContact OD1-SD 2.7Å
467D96.9Very high92.8Very high5 Ų543.5 Ų43.53%0.02723%0.228CC..EExtended strand (participates in β ladder)trans-64.2154.3168.751.95.6000110.9R437 Y452 G453 Y469 V483 M485R437-D467 IonicContact CZ-OD1 3.21Å; R437-D467 IonicContact CZ-OD2 3.53Å; R437-D467 VanDerWaalsContact NH1-CG 3.3Å; R437-D467 IonicContact NH1-OD1 2.8Å; R437-D467 PolarHBondContact NH1-OD1 3.23Å; R437-D467 IonicContact NH1-OD2 3.18Å; R437-D467 PolarHBondContact NH1-OD2 2.99Å; R437-D467 IonicContact NH2-OD1 2.67Å; R437-D467 IonicContact NH2-OD2 2.91Å; R437-D467 PolarHBondContact NH2-OD2 2.93Å; Y452-D467 WeakPolarHBondContact CA-O 3.28Å; Y452-D467 VanDerWaalsContact CD2-O 3.31Å; Y452-D467 WeakPolarHBondContact CD2-O 3.16Å; G453-D467 PolarHBondContact N-O 3.4Å; D467-Y469 HydrophobicContact CB-CE2 3.79Å; D467-Y469 VanDerWaalsContact CG-CE2 3.43Å; D467-Y469 WeakPolarHBondContact OD2-CE2 2.97Å; D467-Y469 PolarHBondContact OD2-OH 3.48Å; D467-Y469 VanDerWaalsContact OD2-OH 3.12Å; D467-V483 VanDerWaalsContact CA-O 3.32Å; D467-V483 WeakPolarHBondContact CA-O 3.45Å; D467-V483 WeakPolarHBondContact CB-O 3.19Å; D467-M485 HydrophobicContact CB-CB 3.92Å
468L98Very high92.8Very high0 Ų044 Ų440%023%0.23CC..EExtended strand (participates in β ladder)trans-132121.4179.5-179.567.2000108.9Y101 W108 L451 Y452 L482 V483Y101-L468 HydrophobicContact CD1-CD2 4.15Å; Y101-L468 HydrophobicContact CD2-CD2 4.36Å; Y101-L468 HydrophobicContact CE1-CD2 3.85Å; Y101-L468 HydrophobicContact CE2-CD2 4.08Å; Y101-L468 HydrophobicContact CG-CD2 4.4Å; W108-L468 HydrophobicContact CZ2-CD2 3.95Å; L451-L468 WeakPolarHBondContact O-CA 3.36Å; Y452-L468 HydrophobicContact CD2-CB 4.04Å; Y452-L468 HydrophobicContact CD2-CD1 4.03Å; Y452-L468 HydrophobicContact CG-CD1 4.44Å; L468-L482 HydrophobicContact CB-CB 4.17Å; L468-L482 HydrophobicContact CD2-CB 3.78Å; L468-L482 HydrophobicContact CD2-CD1 3.8Å; L468-L482 HydrophobicContact CD2-CG 4.45Å; L468-L482 HydrophobicContact CG-CB 3.92Å; L468-L482 HydrophobicContact CG-CD1 4Å; L468-L482 WeakPolarHBondContact O-CA 3.48Å; L468-L482 WeakPolarHBondContact O-CB 3.32Å; L468-L482 PolarHBondContact O-N 2.82Å; L468-V483 HydrophobicContact CB-CB 3.74Å; L468-V483 HydrophobicContact CB-CG2 3.78Å; L468-V483 HydrophobicContact CD2-CG2 4.39Å; L468-V483 PolarHBondContact N-O 3.08Å; L468-V483 PolarHBondContact O-N 2.83Å; L468-V483 VanDerWaalsContact O-N 3.13Å
469Y97.6Very high93.2Very high20 Ų2043.1 Ų43.18%0.07822%0.223CC..EExtended strand (participates in β ladder)trans-114.8154.7174.9-58.4-96.7000111.6V432 P434 Y450 L451 D467 W479 E480 V481V432-Y469 HydrophobicContact CG1-CE1 4.27Å; P434-Y469 HydrophobicContact CB-CD1 4.49Å; P434-Y469 HydrophobicContact CB-CD2 3.77Å; P434-Y469 HydrophobicContact CB-CE1 4.42Å; P434-Y469 HydrophobicContact CB-CE2 3.67Å; P434-Y469 HydrophobicContact CB-CG 4.2Å; P434-Y469 HydrophobicContact CG-CD1 3.97Å; P434-Y469 HydrophobicContact CG-CD2 3.77Å; P434-Y469 HydrophobicContact CG-CE1 4.31Å; P434-Y469 HydrophobicContact CG-CE2 4.11Å; P434-Y469 HydrophobicContact CG-CG 3.7Å; Y450-Y469 VanDerWaalsContact CA-O 3.32Å; Y450-Y469 WeakPolarHBondContact CA-O 3.37Å; L451-Y469 PolarHBondContact N-O 3.01Å; L451-Y469 PolarHBondContact O-N 2.84Å; D467-Y469 HydrophobicContact CB-CE2 3.79Å; D467-Y469 VanDerWaalsContact CG-CE2 3.43Å; D467-Y469 WeakPolarHBondContact OD2-CE2 2.97Å; D467-Y469 PolarHBondContact OD2-OH 3.48Å; D467-Y469 VanDerWaalsContact OD2-OH 3.12Å; Y469-W479 HydrophobicContact CD1-CB 4.49Å; Y469-W479 HydrophobicContact CG-CE3 4.5Å; Y469-E480 CarbonylContact C-O 3.54Å; Y469-E480 WeakPolarHBondContact CA-O 3.49Å; Y469-V481 HydrophobicContact CD1-CB 4.49Å; Y469-V481 HydrophobicContact CD1-CG1 4.42Å; Y469-V481 HydrophobicContact CD1-CG2 4.01Å; Y469-V481 HydrophobicContact CE1-CB 4.47Å; Y469-V481 HydrophobicContact CE1-CG1 4.15Å; Y469-V481 HydrophobicContact CE1-CG2 3.8Å
470C96.9Very high93.6Very high1 Ų144.3 Ų44.31%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-129.7137.7172.9165.20000110.6L449 Y450 W479 E480 L482L449-C470 CarbonylContact O-C 3.57Å; L449-C470 VanDerWaalsContact O-CA 3.23Å; L449-C470 WeakPolarHBondContact O-CA 3.46Å; Y450-C470 HydrophobicContact CD1-CB 4Å; Y450-C470 HydrophobicContact CE1-CB 3.93Å; C470-W479 CarbonylContact O-C 3.59Å; C470-E480 HydrophobicContact CB-CB 4.23Å; C470-E480 PolarHBondContact N-O 3.48Å; C470-E480 PolarHBondContact O-N 2.75Å; C470-L482 HydrophobicContact CB-CD1 3.61Å; C470-L482 HydrophobicContact CB-CG 4.08Å
471L95.6Very high94.3Very high0 Ų038 Ų380%018%0.178CC..EExtended strand (participates in β ladder)trans-129.1124.1172.9176.664.3000110.5L335 L350 K448 L449 L473 M476 Q478 W479L335-L471 HydrophobicContact CD2-CD2 3.57Å; L350-L471 HydrophobicContact CD2-CD1 3.63Å; L350-L471 HydrophobicContact CD2-CD2 4.12Å; K448-L471 CarbonylContact C-O 3.48Å; K448-L471 VanDerWaalsContact CA-O 3.29Å; K448-L471 WeakPolarHBondContact CA-O 3.42Å; L449-L471 HydrophobicContact CB-CB 4.37Å; L449-L471 PolarHBondContact N-O 2.84Å; L449-L471 PolarHBondContact O-N 2.96Å; L471-L473 HydrophobicContact CD2-CD2 4.25Å; L471-L473 HydrophobicContact CG-CD2 4.31Å; L471-L473 PolarHBondContact O-N 2.79Å; L471-M476 HydrophobicContact CD2-CE 4.35Å; L471-M476 HydrophobicContact CD2-SD 4.16Å; L471-M476 HydrophobicContact CG-SD 4.48Å; L471-Q478 VanDerWaalsContact CD1-O 3.28Å; L471-Q478 WeakPolarHBondContact CD1-O 3.35Å; L471-W479 HydrophobicContact CB-CD2 3.97Å; L471-W479 HydrophobicContact CB-CE3 3.56Å; L471-W479 HydrophobicContact CB-CH2 4.12Å; L471-W479 HydrophobicContact CB-CZ2 4.46Å; L471-W479 HydrophobicContact CB-CZ3 3.65Å; L471-W479 HydrophobicContact CD2-CH2 4.3Å; L471-W479 HydrophobicContact CD2-CZ2 4.03Å
472D94.4Very high94.6Very high31 Ų3136 Ų3617%0.16617%0.172CC..EExtended strand (participates in β ladder)trans-75.4112.1173.3-174.3-36.2000110.3K448 H474 K475 M476K448-D472 HydrophobicContact CG-CB 4.49Å; D472-H474 VanDerWaalsContact C-N 3.25Å; D472-H474 PolarHBondContact O-N 2.91Å; D472-H474 WeakPolarHBondContact OD1-CA 3.35Å; D472-H474 WeakPolarHBondContact OD1-CB 3.28Å; D472-H474 IonicContact OD1-CG 2.76Å; D472-H474 PolarHBondContact OD1-N 3.06Å; D472-H474 IonicContact OD1-ND1 3.43Å; D472-K475 HydrophobicContact CB-CB 4.13Å; D472-K475 HydrophobicContact CB-CD 4.28Å; D472-K475 HydrophobicContact CB-CG 4.29Å; D472-K475 PolarHBondContact O-N 3.41Å; D472-K475 PolarHBondContact OD1-N 2.95Å; D472-K475 VanDerWaalsContact OD1-N 3.1Å; D472-K475 WeakPolarHBondContact OD2-CE 3.28Å; D472-M476 PolarHBondContact O-N 2.71Å
473L92.8Very high94.8Very high31 Ų3135 Ų3516%0.16217%0.169CC..THydrogen-bonded Turntrans-75.7-11.3-174.4-56.7-179.6000114L313 V444 G447 L449 L471 M476L313-L473 HydrophobicContact CD1-CD1 3.82Å; L313-L473 HydrophobicContact CD2-CD1 3.87Å; L313-L473 HydrophobicContact CD2-CD2 3.44Å; L313-L473 VanDerWaalsContact CD2-CD2 3.44Å; L313-L473 HydrophobicContact CD2-CG 4.29Å; V444-L473 HydrophobicContact CG1-CD1 4.17Å; V444-L473 HydrophobicContact CG2-CD1 3.97Å; G447-L473 WeakPolarHBondContact O-CB 3.31Å; G447-L473 WeakPolarHBondContact O-CG 3.35Å; G447-L473 PolarHBondContact O-N 2.9Å; L449-L473 HydrophobicContact CB-CD1 4.32Å; L449-L473 HydrophobicContact CB-CD2 3.86Å; L449-L473 HydrophobicContact CB-CG 4.22Å; L471-L473 HydrophobicContact CD2-CD2 4.25Å; L471-L473 HydrophobicContact CG-CD2 4.31Å; L471-L473 PolarHBondContact O-N 2.79Å; L473-M476 HydrophobicContact CD2-SD 3.99Å; L473-M476 WeakPolarHBondContact O-CG 3.46Å
474H90.6Very high94.6Very high132 Ų13241.7 Ų41.761%0.61120%0.2SC*.THydrogen-bonded Turntrans-86.8-42.8173-57.894.1000110.5D472D472-H474 VanDerWaalsContact C-N 3.25Å; D472-H474 PolarHBondContact O-N 2.91Å; D472-H474 WeakPolarHBondContact OD1-CA 3.35Å; D472-H474 WeakPolarHBondContact OD1-CB 3.28Å; D472-H474 IonicContact OD1-CG 2.76Å; D472-H474 PolarHBondContact OD1-N 3.06Å; D472-H474 IonicContact OD1-ND1 3.43Å
475K91.9Very high94.1Very high118 Ų11843.7 Ų43.751%0.51321%0.21SC..THydrogen-bonded Turntrans-75.1-47.3179.6-63-177.4-172.2176.50111.3K351 D472 D477K351-K475 WeakPolarHBondContact CD-O 3.21Å; K351-K475 WeakPolarHBondContact CE-O 3.13Å; K351-K475 PolarHBondContact NZ-O 2.85Å; D472-K475 HydrophobicContact CB-CB 4.13Å; D472-K475 HydrophobicContact CB-CD 4.28Å; D472-K475 HydrophobicContact CB-CG 4.29Å; D472-K475 PolarHBondContact O-N 3.41Å; D472-K475 PolarHBondContact OD1-N 2.95Å; D472-K475 VanDerWaalsContact OD1-N 3.1Å; D472-K475 WeakPolarHBondContact OD2-CE 3.28Å; K475-D477 HydrophobicContact CB-CB 4.32Å; K475-D477 WeakPolarHBondContact CB-OD1 3.34Å; K475-D477 WeakPolarHBondContact CD-OD2 3.43Å; K475-D477 PolarHBondContact O-N 2.94Å
476M90.8Very high93.5Very high21 Ų2147.4 Ų47.410%0.10323%0.23CC..  trans49.246.2-173.7-64.2-68.8-62.900110.8L335 A348 L350 K351 L471 D472 L473L335-M476 HydrophobicContact CD2-CE 4.17Å; A348-M476 HydrophobicContact CB-CE 3.86Å; L350-M476 CarbonylContact C-O 3.6Å; L350-M476 WeakPolarHBondContact CA-O 3.39Å; L350-M476 HydrophobicContact CD2-CE 4.35Å; K351-M476 PolarHBondContact N-O 2.62Å; L471-M476 HydrophobicContact CD2-CE 4.35Å; L471-M476 HydrophobicContact CD2-SD 4.16Å; L471-M476 HydrophobicContact CG-SD 4.48Å; D472-M476 PolarHBondContact O-N 2.71Å; L473-M476 HydrophobicContact CD2-SD 3.99Å; L473-M476 WeakPolarHBondContact O-CG 3.46Å
477D90.8Very high92.7Very high51 Ų5148 Ų4827%0.27324%0.235SC..SBendtrans-100.2-55.7-174.949.2-4000112.1K475K475-D477 HydrophobicContact CB-CB 4.32Å; K475-D477 WeakPolarHBondContact CB-OD1 3.34Å; K475-D477 WeakPolarHBondContact CD-OD2 3.43Å; K475-D477 PolarHBondContact O-N 2.94Å
478Q93.3Very high91.7Very high94 Ų9454.5 Ų54.544%0.43926%0.263SS..  trans-154.7158.5-178.166.2-175.637.300112L471L471-Q478 VanDerWaalsContact CD1-O 3.28Å; L471-Q478 WeakPolarHBondContact CD1-O 3.35Å
479W94.8Very high90.9Very high18 Ų1859 Ų597%0.06829%0.291CS..EExtended strand (participates in β ladder)trans-75.5144.9164.7-67.297.2000110.4F315 V432 P434 L449 L451 Y469 C470 L471F315-W479 HydrophobicContact CD2-CH2 4.38Å; F315-W479 HydrophobicContact CD2-CZ2 4.14Å; F315-W479 HydrophobicContact CE2-CH2 4.47Å; F315-W479 HydrophobicContact CE2-CZ2 4.03Å; V432-W479 WeakPolarHBondContact O-CB 3.38Å; P434-W479 HydrophobicContact CG-CD2 3.93Å; P434-W479 HydrophobicContact CG-CE3 4.11Å; P434-W479 HydrophobicContact CG-CG 4.46Å; P434-W479 HydrophobicContact CG-CH2 4.19Å; P434-W479 HydrophobicContact CG-CZ2 4.03Å; P434-W479 HydrophobicContact CG-CZ3 4.23Å; L449-W479 HydrophobicContact CD2-CH2 3.73Å; L449-W479 HydrophobicContact CD2-CZ3 4.29Å; L449-W479 HydrophobicContact CG-CH2 4.47Å; L451-W479 HydrophobicContact CB-CZ3 4.33Å; Y469-W479 HydrophobicContact CD1-CB 4.49Å; Y469-W479 HydrophobicContact CG-CE3 4.5Å; C470-W479 CarbonylContact O-C 3.59Å; L471-W479 HydrophobicContact CB-CD2 3.97Å; L471-W479 HydrophobicContact CB-CE3 3.56Å; L471-W479 HydrophobicContact CB-CH2 4.12Å; L471-W479 HydrophobicContact CB-CZ2 4.46Å; L471-W479 HydrophobicContact CB-CZ3 3.65Å; L471-W479 HydrophobicContact CD2-CH2 4.3Å; L471-W479 HydrophobicContact CD2-CZ2 4.03Å
480E95.1Very high90.3Very high91 Ų9158.6 Ų58.643%0.42529%0.289SS..EExtended strand (participates in β ladder)trans-107.7121.5171.6179.4-179.8-170.300107.2K448 Y469 C470 L482K448-E480 IonicContact NZ-OE2 2.75Å; K448-E480 PolarHBondContact NZ-OE2 3.2Å; Y469-E480 CarbonylContact C-O 3.54Å; Y469-E480 WeakPolarHBondContact CA-O 3.49Å; C470-E480 HydrophobicContact CB-CB 4.23Å; C470-E480 PolarHBondContact N-O 3.48Å; C470-E480 PolarHBondContact O-N 2.75Å; E480-L482 HydrophobicContact CG-CD2 3.95Å
481V96Very high89.6Confident36 Ų3666.2 Ų66.222%0.21833%0.325CS..EExtended strand (participates in β ladder)trans-83.7122.3174.2-164.20000108.7V432 Y469 V483 E484V432-V481 HydrophobicContact CB-CG2 3.82Å; V432-V481 HydrophobicContact CG1-CG2 3.31Å; V432-V481 HydrophobicContact CG2-CG2 4.45Å; Y469-V481 HydrophobicContact CD1-CB 4.49Å; Y469-V481 HydrophobicContact CD1-CG1 4.42Å; Y469-V481 HydrophobicContact CD1-CG2 4.01Å; Y469-V481 HydrophobicContact CE1-CB 4.47Å; Y469-V481 HydrophobicContact CE1-CG1 4.15Å; Y469-V481 HydrophobicContact CE1-CG2 3.8Å; V481-V483 WeakPolarHBondContact CG1-O 3.46Å; V481-E484 HydrophobicContact CB-CG 4.41Å; V481-E484 HydrophobicContact CG1-CB 4.48Å; V481-E484 HydrophobicContact CG1-CG 3.51Å
482L96.1Very high89.2Confident27 Ų2768.6 Ų68.614%0.14133%0.334CS..EExtended strand (participates in β ladder)trans-103.2-33.2179.2-60.6175.9000111.4Y101 Y450 L468 C470 E480Y101-L482 HydrophobicContact CE1-CD1 4.18Å; Y450-L482 HydrophobicContact CD1-CD1 3.99Å; Y450-L482 HydrophobicContact CE1-CD1 3.91Å; L468-L482 HydrophobicContact CB-CB 4.17Å; L468-L482 HydrophobicContact CD2-CB 3.78Å; L468-L482 HydrophobicContact CD2-CD1 3.8Å; L468-L482 HydrophobicContact CD2-CG 4.45Å; L468-L482 HydrophobicContact CG-CB 3.92Å; L468-L482 HydrophobicContact CG-CD1 4Å; L468-L482 WeakPolarHBondContact O-CA 3.48Å; L468-L482 WeakPolarHBondContact O-CB 3.32Å; L468-L482 PolarHBondContact O-N 2.82Å; C470-L482 HydrophobicContact CB-CD1 3.61Å; C470-L482 HydrophobicContact CB-CG 4.08Å; E480-L482 HydrophobicContact CG-CD2 3.95Å
483V94.8Very high88.6Confident13 Ų1370.2 Ų70.28%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-135.8122.7171.2177.90000107.4P61 D467 L468 V481P61-V483 HydrophobicContact CB-CB 4.44Å; P61-V483 HydrophobicContact CB-CG1 3.68Å; P61-V483 HydrophobicContact CB-CG2 3.9Å; P61-V483 HydrophobicContact CG-CB 4.26Å; P61-V483 HydrophobicContact CG-CG1 3.62Å; P61-V483 HydrophobicContact CG-CG2 3.57Å; D467-V483 VanDerWaalsContact CA-O 3.32Å; D467-V483 WeakPolarHBondContact CA-O 3.45Å; D467-V483 WeakPolarHBondContact CB-O 3.19Å; L468-V483 HydrophobicContact CB-CB 3.74Å; L468-V483 HydrophobicContact CB-CG2 3.78Å; L468-V483 HydrophobicContact CD2-CG2 4.39Å; L468-V483 PolarHBondContact N-O 3.08Å; L468-V483 PolarHBondContact O-N 2.83Å; L468-V483 VanDerWaalsContact O-N 3.13Å; V481-V483 WeakPolarHBondContact CG1-O 3.46Å
484E91.5Very high87.7Confident163 Ų16373.2 Ų73.276%0.76236%0.358SS*.  trans-87.6148171-72.3174.4-176.500109.7V481V481-E484 HydrophobicContact CB-CG 4.41Å; V481-E484 HydrophobicContact CG1-CB 4.48Å; V481-E484 HydrophobicContact CG1-CG 3.51Å
485M86.3Confident86.1Confident43 Ų4373.9 Ų73.921%0.21237%0.367CS..  trans-140.4135.4172.8174.564.3177.900107.4P64 N466 D467 P487 Q490P64-M485 HydrophobicContact CG-CE 4.19Å; N466-M485 WeakPolarHBondContact OD1-CB 3.21Å; N466-M485 WeakPolarHBondContact OD1-CG 3.47Å; N466-M485 PolarHBondContact OD1-SD 2.7Å; D467-M485 HydrophobicContact CB-CB 3.92Å; M485-P487 WeakPolarHBondContact O-CD 3.37Å; M485-Q490 HydrophobicContact CE-CB 4.43Å
486D82.6Confident83.9Confident78 Ų7879.8 Ų79.842%0.41739%0.386SS..  trans-98.7110.4166.3-177.3-1.1000108.7K488 T489D486-K488 PolarHBondContact O-N 2.85Å; D486-K488 VanDerWaalsContact O-N 3.08Å; D486-K488 VanDerWaalsContact OD1-CB 3.29Å; D486-K488 WeakPolarHBondContact OD1-CB 3.28Å; D486-K488 WeakPolarHBondContact OD1-CG 3.25Å; D486-K488 PolarHBondContact OD1-N 2.8Å; D486-T489 HydrophobicContact CB-CG2 3.97Å; D486-T489 PolarHBondContact O-N 3.38Å; D486-T489 PolarHBondContact O-OG1 3.19Å
487P80.6Confident81.6Confident35 Ų3582.1 Ų82.123%0.22740%0.404CS..G310 helixtrans-55-26.4177.6-24.534.6000113.3F456 F463 L465 M485 T489 Q490F456-P487 HydrophobicContact CE1-CB 4.27Å; F456-P487 HydrophobicContact CE1-CG 4.23Å; F456-P487 HydrophobicContact CZ-CB 4.09Å; F456-P487 HydrophobicContact CZ-CG 4.34Å; F463-P487 HydrophobicContact CD1-CB 3.95Å; L465-P487 HydrophobicContact CD2-CG 4.12Å; M485-P487 WeakPolarHBondContact O-CD 3.37Å; P487-T489 PolarHBondContact O-N 3.16Å; P487-Q490 WeakPolarHBondContact O-CB 3.09Å; P487-Q490 PolarHBondContact O-N 2.9Å
488K75.6Confident79.1Confident141 Ų14185.5 Ų85.561%0.61342%0.422SS*.G310 helixtrans-65.5-26179.4-62.1-178.7175.5-168.60113.3D486 Q490D486-K488 PolarHBondContact O-N 2.85Å; D486-K488 VanDerWaalsContact O-N 3.08Å; D486-K488 VanDerWaalsContact OD1-CB 3.29Å; D486-K488 WeakPolarHBondContact OD1-CB 3.28Å; D486-K488 WeakPolarHBondContact OD1-CG 3.25Å; D486-K488 PolarHBondContact OD1-N 2.8Å; K488-Q490 PolarHBondContact O-N 3.18Å
489T81.6Confident76.5Confident96 Ų9685.9 Ų85.959%0.58944%0.435SS*.G310 helixtrans-78.4-5.6179.665.80000113.5D486 P487 E491D486-T489 HydrophobicContact CB-CG2 3.97Å; D486-T489 PolarHBondContact O-N 3.38Å; D486-T489 PolarHBondContact O-OG1 3.19Å; P487-T489 PolarHBondContact O-N 3.16Å; T489-E491 PolarHBondContact O-N 3.2Å
490Q83.9Confident74.1Confident11 Ų1193.3 Ų93.35%0.05147%0.471CS..SBendtrans-75.6123-179.9-168.6-172.7-28.100110F86 R461 T464 M485 P487 K488F86-Q490 HydrophobicContact CE2-CG 4.1Å; F86-Q490 HydrophobicContact CZ-CG 4.15Å; R461-Q490 PolarHBondContact NH2-O 3.22Å; T464-Q490 PolarHBondContact O-OE1 2.6Å; T464-Q490 VanDerWaalsContact O-OE1 3.09Å; M485-Q490 HydrophobicContact CE-CB 4.43Å; P487-Q490 WeakPolarHBondContact O-CB 3.09Å; P487-Q490 PolarHBondContact O-N 2.9Å; K488-Q490 PolarHBondContact O-N 3.18Å
491E83.2Confident71.5Confident160 Ų16096 Ų9675%0.74849%0.488SS*.  trans-62.7140.7172.2-68.2174.2-178.900111.1T489T489-E491 PolarHBondContact O-N 3.2Å
492W85.9Confident68.6Low50 Ų50102.3 Ų102.319%0.18952%0.52CS..  trans-136.6125175.4-178.2-96.3000108.6F87 G89 R461 Q462 D494F87-W492 HydrophobicContact CD1-CH2 4.1Å; F87-W492 HydrophobicContact CD1-CZ3 4.09Å; F87-W492 AromaticContact CE1-CH2 3.79Å; F87-W492 HydrophobicContact CE1-CH2 3.79Å; F87-W492 HydrophobicContact CE1-CZ3 4.19Å; G89-W492 VanDerWaalsContact CA-CH2 3.47Å; R461-W492 HydrophobicContact CB-CD2 4.42Å; R461-W492 HydrophobicContact CB-CH2 4.45Å; R461-W492 HydrophobicContact CB-CZ2 4.17Å; R461-W492 HydrophobicContact CG-CD2 3.62Å; R461-W492 HydrophobicContact CG-CE3 3.73Å; R461-W492 HydrophobicContact CG-CG 4.07Å; R461-W492 HydrophobicContact CG-CH2 4.25Å; R461-W492 HydrophobicContact CG-CZ2 4.18Å; R461-W492 HydrophobicContact CG-CZ3 4.05Å; Q462-W492 HydrophobicContact CB-CH2 4.34Å; Q462-W492 HydrophobicContact CB-CZ3 4.11Å; Q462-W492 WeakPolarHBondContact O-CZ3 3.26Å; W492-D494 PolarHBondContact NE1-OD1 3.41Å
493L83.5Confident65.9Low66 Ų66110.3 Ų110.335%0.34656%0.557SS.*  trans-96.5111.6179.1-62.5178.6000108.3N88 G89 K90N88-L493 WeakPolarHBondContact ND2-CD1 3.39Å; N88-L493 PolarHBondContact O-N 3.43Å; G89-L493 CarbonylContact C-O 3.58Å; K90-L493 HydrophobicContact CB-CB 4.02Å; K90-L493 HydrophobicContact CB-CD1 4.22Å
494D72.8Confident63.3Low93 Ų93119.5 Ų119.550%0.49760%0.599SS.*  trans-79.9150173.7-68.5-42.8000111W492 W496 S497W492-D494 PolarHBondContact NE1-OD1 3.41Å; D494-W496 PolarHBondContact O-N 3.16Å; D494-S497 PolarHBondContact O-N 3.09Å; D494-S497 PolarHBondContact O-OG 2.99Å
495D56.3Low60.5Low147 Ų147115 Ų11579%0.78660%0.596SS**THydrogen-bonded Turntrans-55.7-19.7179-91.3-13000113.8
496W46.2Very low58Low241 Ų241120 Ų12091%0.91362%0.624SS**THydrogen-bonded Turntrans-87.9-9.5-179.6-5895.8000114.3D494 D498D494-W496 PolarHBondContact O-N 3.16Å; W496-D498 PolarHBondContact O-N 3.38Å
497S42.3Very low55.8Low71 Ų71123.8 Ų123.850%0.49764%0.639SS.*  trans-82.911.3-17463.70000114.9D494D494-S497 PolarHBondContact O-N 3.09Å; D494-S497 PolarHBondContact O-OG 2.99Å
498D39.3Very low53.4Low121 Ų121129.5 Ų129.565%0.64766%0.663SS**  trans-117.666.2-179.9-144.421.5000110.7K90 W496K90-D498 IonicContact NZ-OD1 2.97Å; K90-D498 IonicContact NZ-OD2 2.97Å; K90-D498 PolarHBondContact NZ-OD2 3.04Å; W496-D498 PolarHBondContact O-N 3.38Å
499S38.3Very low51.3Low102 Ų102131.1 Ų131.171%0.71367%0.673SS**SBendtrans-11698.9150.563.40000108.5
500E44.2Very low48.8Very low175 Ų175131.1 Ų131.182%0.81868%0.683SS**SBendtrans80.7135.6157.5-51.4-170.5168.100117.8
501D41.5Very low46.3Very low147 Ų147140.9 Ų140.979%0.78673%0.725SS**  trans77.190172.2-63.8-19.6000119
502D34Very low43.6Very low168 Ų168137.3 Ų137.390%0.89873%0.731SS**  trans-168.270.1133.3-91.2-27.9000110.9
503E40Very low40.9Very low196 Ų196139 Ų13992%0.91676%0.764SS**  trans-123.789.6152.7-83.8-163.6179.100109.2
504E40.5Very low38.2Very low205 Ų205142.9 Ų142.996%0.95879%0.785SS**  trans-141.8133.5152.7-82.2-140.7174.200112.2
505G32.1Very low36.1Very low68 Ų68144.7 Ų144.770%0.70179%0.794SS**  trans153.887.4158.900000117.2
506D33.8Very low34.9Very low149 Ų149146.5 Ų146.580%0.79780%0.798SS**  trans77.2132152.9-64.6-16.7000120.2
507E35.6Very low34.2Very low157 Ų157143.8 Ų143.873%0.73480%0.796SS**  cis-168142.27-109.6176.8-172.700110.1
508E32Very low33.6Very low156 Ų156149.9 Ų149.973%0.72982%0.816SS**  trans77.8121.1134.8-62.2-84.7137.600124.7
509E29.7Very low33.2Very low175 Ų175153.5 Ų153.582%0.81883%0.83SS**  trans67.7112148.5-60.5-161.2152.700122.8
510A30.6Very low32.7Very low96 Ų96154.1 Ų154.179%0.79383%0.834SS**  170.5116.698.100000114.8
511K30.4Very low31.9Very low215 Ų215155 Ų15594%0.93584%0.838SS**  trans40.9114.5143.4-63.9-167.9176.2-177.60121.4
512G27.3Very low31.2Very low86 Ų86157.3 Ų157.389%0.88784%0.844SS**  116.7123.6107.700000117.1
513G28.1Very low30.9Very low84 Ų84158.1 Ų158.187%0.86684%0.842SS**  trans148.3114.8159.400000113.9
514D28Very low30.3Very low148 Ų148153.4 Ų153.479%0.79183%0.831SS**  trans-55.9164178.2-102.3-22.7000116.6
515D28.5Very low29.7Very low131 Ų131151.1 Ų151.170%0.70183%0.826SS**  trans71.9131.6153.4-61.5-24.8000116.1
516E31.2Very low29.6Very low185 Ų185155.8 Ų155.886%0.86483%0.829SS**  cis-166.1157.231.5-121.4162.4-153.700109.3
517E31.2Very low29.6Very low185 Ų185158 Ų15886%0.86484%0.835SS**  trans-59.5137.6179.2-55.9170.8165.600114.3
518E29.9Very low29.4Very low198 Ų198157.6 Ų157.693%0.92584%0.838SS**  trans-144114.7140.9-75.8-158.4166.800109.8
519E29.4Very low29.8Very low198 Ų198159.2 Ų159.293%0.92585%0.845SS**  trans-70131165.8-66.7178.1152.200109.6
520S27.9Very low30.9Very low115 Ų115156.7 Ų156.780%0.80483%0.833SS**  trans-15097.8151.866.90000110.4
521E27.8Very low32.2Very low193 Ų193159.6 Ų159.690%0.90284%0.836SS**  trans5.3112.8155.3-60.7175.1169.200117.3
522E26.6Very low34.8Very low196 Ų196152.8 Ų152.892%0.91681%0.807SS**  trans-68.6121.7158.6-63.8174.7-177.400109.3
523E27.4Very low37.6Very low184 Ų184150 Ų15086%0.8677%0.773SS**  trans-100.4108.4151.9-74.2-153.2159.900107.5D525E523-D525 PolarHBondContact O-N 3.23Å
524S28.1Very low40.3Very low98 Ų98150.4 Ų150.469%0.68576%0.761SS**  trans-72.7109167.957.50000109E526S524-E526 PolarHBondContact O-N 3.19Å
525D28.2Very low43.2Very low157 Ų157144.7 Ų144.784%0.8473%0.731SS**  trans-80.5102.5163.1-85.2-26.8000108.2E523E523-D525 PolarHBondContact O-N 3.23Å
526E29.9Very low46.1Very low166 Ų166143.6 Ų143.678%0.77672%0.722SS**  trans-54.6130.9168.7-64.1178.6156.900109.3S524 D528S524-E526 PolarHBondContact O-N 3.19Å; E526-D528 PolarHBondContact O-N 2.8Å
527Q34.3Very low48.5Very low195 Ų195141.5 Ų141.591%0.91172%0.724SS**  trans-60.4104.3167.5-79.5171.5-5.400108.7E529Q527-E529 PolarHBondContact O-N 3.13Å; Q527-E529 VanDerWaalsContact O-N 3.16Å
528D31.6Very low51Low149 Ų149136.7 Ų136.780%0.79772%0.724SS**  trans-63110.4165.9-86.2-33.6000108.4E526 E530E526-D528 PolarHBondContact O-N 2.8Å; D528-E530 PolarHBondContact O-N 2.96Å
529E40.7Very low53.9Low190 Ų190128.4 Ų128.489%0.88869%0.685SS**  trans-57.4103159.1-73.6-177.8160.300107.5Q527 D531Q527-E529 PolarHBondContact O-N 3.13Å; Q527-E529 VanDerWaalsContact O-N 3.16Å; E529-D531 PolarHBondContact O-N 3.44Å
530E51Low56.8Low122 Ų122120.8 Ų120.857%0.5766%0.657SS**  trans-66.5101.2177.6-77.8-164164.200110.4D528 H532 Q555D528-E530 PolarHBondContact O-N 2.96Å; E530-H532 PolarHBondContact O-N 2.9Å; E530-Q555 PolarHBondContact OE2-NE2 2.77Å
531D59.7Low59.6Low157 Ų157117 Ų11784%0.8463%0.627SS**  trans-66.396.1-179.1-151.56.7000110.6E529E529-D531 PolarHBondContact O-N 3.44Å
532H83.5Confident62.4Low71 Ų71114 Ų11433%0.32961%0.613SS.*PPolyproline II helixtrans-64.3145.3177.5-63.1-51.3000111.5E530 P534 Y551 W552 F580E530-H532 PolarHBondContact O-N 2.9Å; H532-P534 WeakPolarHBondContact O-CD 3.36Å; H532-P534 VanDerWaalsContact O-N 3.16Å; H532-Y551 AromaticContact ND1-CE1 3.76Å; H532-Y551 AromaticContact ND1-CZ 3.72Å; H532-Y551 PolarHBondContact ND1-OH 3.08Å; H532-W552 HydrophobicContact CB-CH2 4.3Å; H532-W552 AromaticContact CG-CH2 4Å; H532-W552 AromaticContact ND1-CH2 3.89Å; H532-F580 HydrophobicContact CB-CD2 4.26Å; H532-F580 HydrophobicContact CB-CE1 4.28Å; H532-F580 HydrophobicContact CB-CE2 3.49Å; H532-F580 VanDerWaalsContact CB-CE2 3.49Å; H532-F580 HydrophobicContact CB-CZ 3.49Å; H532-F580 VanDerWaalsContact CB-CZ 3.49Å; H532-F580 AromaticContact CD2-CE2 3.6Å; H532-F580 AromaticContact CG-CE2 3.8Å
533P86.1Confident65.3Low28 Ų28109.3 Ų109.318%0.18259%0.594CS.*PPolyproline II helixtrans-58.8120.5177.7-21.930.9000111.5T548 Y551 F580P533-T548 HydrophobicContact CB-CG2 3.79Å; P533-T548 HydrophobicContact CG-CG2 4.27Å; P533-Y551 VanDerWaalsContact CD-CD1 3.46Å; P533-Y551 HydrophobicContact CG-CD1 3.69Å; P533-Y551 HydrophobicContact CG-CD2 4.06Å; P533-Y551 HydrophobicContact CG-CE1 4.02Å; P533-Y551 HydrophobicContact CG-CE2 4.35Å; P533-Y551 HydrophobicContact CG-CG 3.72Å; P533-F580 WeakPolarHBondContact O-CE1 3.41Å
534P85.2Confident68.3Low93 Ų93100.5 Ų100.560%0.60455%0.553SS**PPolyproline II helixtrans-70.5151.7-174.627.3-34.9000112.1H532 R547H532-P534 WeakPolarHBondContact O-CD 3.36Å; H532-P534 VanDerWaalsContact O-N 3.16Å; P534-R547 PolarHBondContact O-NH2 3.47Å
535V89.3Confident71.2Confident27 Ų2798 Ų9816%0.16453%0.53CS..PPolyproline II helixtrans-73.2127170-177.50000108.9F544 F580 Y581 Q584V535-F544 HydrophobicContact CB-CD2 4.45Å; V535-F544 HydrophobicContact CB-CE2 4.43Å; V535-F544 HydrophobicContact CG2-CD2 4Å; V535-F544 HydrophobicContact CG2-CE2 3.74Å; V535-F544 HydrophobicContact CG2-CZ 4.08Å; V535-F580 HydrophobicContact CG2-CD1 4.36Å; V535-F580 HydrophobicContact CG2-CE1 4.34Å; V535-Y581 HydrophobicContact CB-CD2 4.47Å; V535-Y581 HydrophobicContact CG1-CD2 3.64Å; V535-Y581 HydrophobicContact CG1-CE2 3.63Å; V535-Y581 HydrophobicContact CG2-CD2 3.92Å; V535-Y581 HydrophobicContact CG2-CG 4.47Å; V535-Q584 HydrophobicContact CB-CB 4.19Å; V535-Q584 HydrophobicContact CG2-CB 3.78Å; V535-Q584 HydrophobicContact CG2-CG 4.14Å
536Q88.6Confident74.1Confident109 Ų10994.2 Ų94.251%0.50952%0.517SS..PPolyproline II helixtrans-79.7145.5179.2-62.7-177.414.700110.9G538 E539Q536-G538 PolarHBondContact O-N 2.91Å; Q536-G538 VanDerWaalsContact O-N 3.09Å; Q536-E539 HydrophobicContact CB-CB 4.09Å; Q536-E539 PolarHBondContact N-OE2 3.4Å; Q536-E539 WeakPolarHBondContact O-CB 3.47Å; Q536-E539 PolarHBondContact O-N 2.81Å
537P81.9Confident77.1Confident140 Ų14091.3 Ų91.391%0.90950%0.499SS*.THydrogen-bonded Turntrans-58117-179.9-25.434.1000112.7E539P537-E539 VanDerWaalsContact C-N 3.34Å
538G84.2Confident79.9Confident85 Ų8582.2 Ų82.288%0.87646%0.456SS*.THydrogen-bonded Turntrans7910.4-179.700000115.2Q536Q536-G538 PolarHBondContact O-N 2.91Å; Q536-G538 VanDerWaalsContact O-N 3.09Å
539E89.6Confident82.6Confident23 Ų2379 Ų7911%0.10744%0.437CS..  trans-64.7137.3169.1-170.2169.2-149.400109.4Q536 P537 D543 F544 R547 Y581Q536-E539 HydrophobicContact CB-CB 4.09Å; Q536-E539 PolarHBondContact N-OE2 3.4Å; Q536-E539 WeakPolarHBondContact O-CB 3.47Å; Q536-E539 PolarHBondContact O-N 2.81Å; P537-E539 VanDerWaalsContact C-N 3.34Å; E539-D543 HydrophobicContact CG-CB 3.97Å; E539-F544 HydrophobicContact CG-CB 4.09Å; E539-F544 WeakPolarHBondContact OE1-CA 3.28Å; E539-R547 IonicContact OE1-CZ 2.86Å; E539-R547 IonicContact OE1-NE 3.65Å; E539-R547 PolarHBondContact OE1-NE 2.85Å; E539-R547 IonicContact OE1-NH2 2.65Å; E539-R547 PolarHBondContact OE1-NH2 3.07Å; E539-R547 VanDerWaalsContact OE1-NH2 3.07Å; E539-R547 IonicContact OE2-CZ 3.57Å; E539-R547 IonicContact OE2-NH2 3.7Å; E539-R547 PolarHBondContact OE2-NH2 3.39Å; E539-Y581 PolarHBondContact O-OH 3Å
540A90.3Very high84.8Confident39 Ų3978.5 Ų78.532%0.32243%0.434SS..  trans-83.6156.7172.200000110.4E542 D543 F544A540-E542 VanDerWaalsContact C-N 3.26Å; A540-E542 PolarHBondContact O-N 3.36Å; A540-D543 PolarHBondContact O-N 3.03Å; A540-F544 PolarHBondContact O-N 2.91Å
541L87.1Confident86.7Confident35 Ų3575.8 Ų75.818%0.18342%0.419CS..Hα-helixtrans-56.1-40.9-178.417563000112D543 F544 Q545 K578 Y581L541-D543 VanDerWaalsContact C-N 3.32Å; L541-D543 PolarHBondContact O-N 2.68Å; L541-F544 PolarHBondContact O-N 3.12Å; L541-Q545 HydrophobicContact CD1-CG 3.93Å; L541-Q545 HydrophobicContact CG-CG 4.3Å; L541-Q545 WeakPolarHBondContact O-CB 3.47Å; L541-Q545 VanDerWaalsContact O-CG 3.26Å; L541-Q545 WeakPolarHBondContact O-CG 3.46Å; L541-Q545 PolarHBondContact O-N 3.35Å; L541-K578 HydrophobicContact CD1-CB 4.33Å; L541-K578 HydrophobicContact CD1-CG 4.1Å; L541-K578 HydrophobicContact CD2-CD 4.27Å; L541-K578 HydrophobicContact CD2-CG 4Å; L541-Y581 HydrophobicContact CB-CD1 4.14Å; L541-Y581 HydrophobicContact CB-CE1 3.89Å; L541-Y581 HydrophobicContact CD1-CD1 3.62Å; L541-Y581 HydrophobicContact CD1-CD2 4.38Å; L541-Y581 HydrophobicContact CD1-CE1 4.26Å; L541-Y581 HydrophobicContact CD1-CG 3.69Å; L541-Y581 HydrophobicContact CG-CD1 4.42Å; L541-Y581 PolarHBondContact N-OH 3.33Å
542E87.6Confident88Confident129 Ų12968.7 Ų68.760%0.60338%0.381SS*.Hα-helixtrans-65.3-35.8180-62.280-173.900112.3A540 S546A540-E542 VanDerWaalsContact C-N 3.26Å; A540-E542 PolarHBondContact O-N 3.36Å; E542-S546 WeakPolarHBondContact O-CB 3.31Å; E542-S546 PolarHBondContact O-N 3.48Å; E542-S546 PolarHBondContact O-OG 3.15Å
543D87.4Confident88.3Confident98 Ų9866.6 Ų66.652%0.52437%0.373SS..Hα-helixtrans-72.8-41.4177.7-67.9-33.1000110.7E539 A540 L541 S546 R547E539-D543 HydrophobicContact CG-CB 3.97Å; A540-D543 PolarHBondContact O-N 3.03Å; L541-D543 VanDerWaalsContact C-N 3.32Å; L541-D543 PolarHBondContact O-N 2.68Å; D543-S546 PolarHBondContact O-OG 2.92Å; D543-R547 VanDerWaalsContact O-CB 3.31Å; D543-R547 WeakPolarHBondContact O-CB 3.46Å; D543-R547 PolarHBondContact O-N 2.81Å
544F90.7Very high88.1Confident0 Ų067.2 Ų67.20%038%0.384CS..Hα-helixtrans-62.5-48.9174.3-179.9-101.4000111.6V535 E539 A540 L541 S546 R547 T548 W552 A577 F580 Y581V535-F544 HydrophobicContact CB-CD2 4.45Å; V535-F544 HydrophobicContact CB-CE2 4.43Å; V535-F544 HydrophobicContact CG2-CD2 4Å; V535-F544 HydrophobicContact CG2-CE2 3.74Å; V535-F544 HydrophobicContact CG2-CZ 4.08Å; E539-F544 HydrophobicContact CG-CB 4.09Å; E539-F544 WeakPolarHBondContact OE1-CA 3.28Å; A540-F544 PolarHBondContact O-N 2.91Å; L541-F544 PolarHBondContact O-N 3.12Å; F544-S546 PolarHBondContact O-N 2.98Å; F544-R547 PolarHBondContact O-N 2.86Å; F544-T548 HydrophobicContact CD2-CG2 4.09Å; F544-T548 HydrophobicContact CE1-CG2 4.48Å; F544-T548 HydrophobicContact CE2-CG2 3.73Å; F544-T548 HydrophobicContact CZ-CG2 3.94Å; F544-T548 WeakPolarHBondContact O-CB 3.37Å; F544-T548 WeakPolarHBondContact O-CG2 3.42Å; F544-T548 PolarHBondContact O-N 2.68Å; F544-T548 PolarHBondContact O-OG1 2.84Å; F544-W552 AromaticContact CE1-NE1 3.79Å; F544-W552 HydrophobicContact CZ-CZ2 4.47Å; F544-W552 AromaticContact CZ-NE1 3.88Å; F544-A577 HydrophobicContact CE1-CB 4.34Å; F544-A577 VanDerWaalsContact CE1-O 3.26Å; F544-A577 WeakPolarHBondContact CE1-O 3.47Å; F544-F580 HydrophobicContact CE1-CD1 4.19Å; F544-F580 AromaticContact CZ-CD1 3.62Å; F544-F580 HydrophobicContact CZ-CD1 3.62Å; F544-F580 HydrophobicContact CZ-CE1 4.12Å; F544-Y581 HydrophobicContact CB-CD2 3.6Å; F544-Y581 HydrophobicContact CB-CE2 4.02Å; F544-Y581 AromaticContact CD1-CD2 3.87Å; F544-Y581 HydrophobicContact CD1-CD2 3.87Å; F544-Y581 HydrophobicContact CD1-CG 4.21Å; F544-Y581 HydrophobicContact CD2-CD2 4.34Å; F544-Y581 AromaticContact CG-CD2 3.67Å; F544-Y581 HydrophobicContact CG-CD2 3.67Å; F544-Y581 HydrophobicContact CG-CG 4.46Å
545Q88.9Confident88Confident44 Ų4464.5 Ų64.521%0.20636%0.364CS..Hα-helixtrans-60.2-45.7179.7-77.7-179.6-16.300111.8L541 T548 E549 A577L541-Q545 HydrophobicContact CD1-CG 3.93Å; L541-Q545 HydrophobicContact CG-CG 4.3Å; L541-Q545 WeakPolarHBondContact O-CB 3.47Å; L541-Q545 VanDerWaalsContact O-CG 3.26Å; L541-Q545 WeakPolarHBondContact O-CG 3.46Å; L541-Q545 PolarHBondContact O-N 3.35Å; Q545-T548 PolarHBondContact O-N 2.78Å; Q545-E549 WeakPolarHBondContact O-CA 3.41Å; Q545-E549 WeakPolarHBondContact O-CB 3.35Å; Q545-E549 PolarHBondContact O-N 3.38Å; Q545-A577 HydrophobicContact CG-CB 4.08Å
546S88.5Confident87.8Confident79 Ų7963.2 Ų63.255%0.55236%0.356SS*.Hα-helixtrans-67.3-37.3-179.963.80000112.9E542 D543 F544E542-S546 WeakPolarHBondContact O-CB 3.31Å; E542-S546 PolarHBondContact O-N 3.48Å; E542-S546 PolarHBondContact O-OG 3.15Å; D543-S546 PolarHBondContact O-OG 2.92Å; F544-S546 PolarHBondContact O-N 2.98Å
547R92.9Very high87.8Confident105 Ų10562.3 Ų62.340%0.39635%0.348SS..Hα-helixtrans-70.9-34.2177.8-178.7174.361.480.9-7.5112.8P534 E539 D543 F544P534-R547 PolarHBondContact O-NH2 3.47Å; E539-R547 IonicContact OE1-CZ 2.86Å; E539-R547 IonicContact OE1-NE 3.65Å; E539-R547 PolarHBondContact OE1-NE 2.85Å; E539-R547 IonicContact OE1-NH2 2.65Å; E539-R547 PolarHBondContact OE1-NH2 3.07Å; E539-R547 VanDerWaalsContact OE1-NH2 3.07Å; E539-R547 IonicContact OE2-CZ 3.57Å; E539-R547 IonicContact OE2-NH2 3.7Å; E539-R547 PolarHBondContact OE2-NH2 3.39Å; D543-R547 VanDerWaalsContact O-CB 3.31Å; D543-R547 WeakPolarHBondContact O-CB 3.46Å; D543-R547 PolarHBondContact O-N 2.81Å; F544-R547 PolarHBondContact O-N 2.86Å
548T93.1Very high87.6Confident4 Ų459.2 Ų59.23%0.02533%0.334CS..Hα-helixtrans-103.72-173.461.80000113.7P533 F544 Q545 Q550 Y551 W552P533-T548 HydrophobicContact CB-CG2 3.79Å; P533-T548 HydrophobicContact CG-CG2 4.27Å; F544-T548 HydrophobicContact CD2-CG2 4.09Å; F544-T548 HydrophobicContact CE1-CG2 4.48Å; F544-T548 HydrophobicContact CE2-CG2 3.73Å; F544-T548 HydrophobicContact CZ-CG2 3.94Å; F544-T548 WeakPolarHBondContact O-CB 3.37Å; F544-T548 WeakPolarHBondContact O-CG2 3.42Å; F544-T548 PolarHBondContact O-N 2.68Å; F544-T548 PolarHBondContact O-OG1 2.84Å; Q545-T548 PolarHBondContact O-N 2.78Å; T548-Q550 VanDerWaalsContact C-N 3.35Å; T548-Q550 PolarHBondContact O-N 3Å; T548-Y551 WeakPolarHBondContact O-CB 3.38Å; T548-Y551 PolarHBondContact O-N 3.48Å; T548-W552 VanDerWaalsContact O-CD1 3.24Å; T548-W552 PolarHBondContact O-N 3.1Å; T548-W552 PolarHBondContact OG1-NE1 2.94Å; T548-W552 VanDerWaalsContact OG1-NE1 3.15Å
549E89.4Confident87.3Confident81 Ų8160.7 Ų60.738%0.37932%0.322SS..Hα-helixtrans-50.1-50.1-175.8-172.1-176.1176.800112.6Q545 Y551 W552 V553Q545-E549 WeakPolarHBondContact O-CA 3.41Å; Q545-E549 WeakPolarHBondContact O-CB 3.35Å; Q545-E549 PolarHBondContact O-N 3.38Å; E549-Y551 VanDerWaalsContact C-N 3.29Å; E549-Y551 PolarHBondContact O-N 2.91Å; E549-W552 PolarHBondContact O-N 2.73Å; E549-V553 HydrophobicContact CG-CG2 4.1Å; E549-V553 VanDerWaalsContact O-CB 3.22Å; E549-V553 WeakPolarHBondContact O-CB 3.43Å; E549-V553 WeakPolarHBondContact O-CG2 3.13Å; E549-V553 PolarHBondContact O-N 2.9Å
550Q86.4Confident86.9Confident180 Ų18062.5 Ų62.584%0.84133%0.331SS*.Hα-helixtrans-64.7-33.7-177.8-68.9-175-10.900113T548 G554T548-Q550 VanDerWaalsContact C-N 3.35Å; T548-Q550 PolarHBondContact O-N 3Å; Q550-G554 PolarHBondContact O-N 2.95Å
551Y89.9Confident86.1Confident64 Ų6461.7 Ų61.725%0.25133%0.326SS..Hα-helixtrans-68.7-52.8177.3175.7-93.1000110.4H532 P533 T548 E549 V553 G554 Q555H532-Y551 AromaticContact ND1-CE1 3.76Å; H532-Y551 AromaticContact ND1-CZ 3.72Å; H532-Y551 PolarHBondContact ND1-OH 3.08Å; P533-Y551 VanDerWaalsContact CD-CD1 3.46Å; P533-Y551 HydrophobicContact CG-CD1 3.69Å; P533-Y551 HydrophobicContact CG-CD2 4.06Å; P533-Y551 HydrophobicContact CG-CE1 4.02Å; P533-Y551 HydrophobicContact CG-CE2 4.35Å; P533-Y551 HydrophobicContact CG-CG 3.72Å; T548-Y551 WeakPolarHBondContact O-CB 3.38Å; T548-Y551 PolarHBondContact O-N 3.48Å; E549-Y551 VanDerWaalsContact C-N 3.29Å; E549-Y551 PolarHBondContact O-N 2.91Å; Y551-V553 PolarHBondContact O-N 3.22Å; Y551-G554 WeakPolarHBondContact O-CA 3.44Å; Y551-G554 PolarHBondContact O-N 3.03Å; Y551-G554 VanDerWaalsContact O-N 3.11Å; Y551-Q555 HydrophobicContact CD1-CG 4.42Å; Y551-Q555 HydrophobicContact CE1-CG 3.96Å; Y551-Q555 HydrophobicContact CE2-CG 4.5Å; Y551-Q555 PolarHBondContact O-N 2.85Å
552W87.6Confident85.6Confident8 Ų865.7 Ų65.73%0.0335%0.354CS..Hα-helixtrans-70-32.3-177.8-65.6112.6000113.4H532 F544 T548 E549 G554 A556 G573 M576 A577 F580H532-W552 HydrophobicContact CB-CH2 4.3Å; H532-W552 AromaticContact CG-CH2 4Å; H532-W552 AromaticContact ND1-CH2 3.89Å; F544-W552 AromaticContact CE1-NE1 3.79Å; F544-W552 HydrophobicContact CZ-CZ2 4.47Å; F544-W552 AromaticContact CZ-NE1 3.88Å; T548-W552 VanDerWaalsContact O-CD1 3.24Å; T548-W552 PolarHBondContact O-N 3.1Å; T548-W552 PolarHBondContact OG1-NE1 2.94Å; T548-W552 VanDerWaalsContact OG1-NE1 3.15Å; E549-W552 PolarHBondContact O-N 2.73Å; W552-G554 VanDerWaalsContact C-N 3.33Å; W552-A556 VanDerWaalsContact O-CB 3.24Å; W552-A556 WeakPolarHBondContact O-CB 3.44Å; W552-A556 PolarHBondContact O-N 2.88Å; W552-G573 VanDerWaalsContact CB-O 3.23Å; W552-G573 WeakPolarHBondContact CB-O 3.48Å; W552-G573 WeakPolarHBondContact O-CA 3.41Å; W552-M576 HydrophobicContact CD2-CB 4.26Å; W552-M576 HydrophobicContact CE3-CB 3.64Å; W552-M576 HydrophobicContact CE3-CE 4.08Å; W552-M576 HydrophobicContact CZ3-CB 4.22Å; W552-M576 HydrophobicContact CZ3-CE 4.26Å; W552-A577 HydrophobicContact CB-CB 4.22Å; W552-A577 HydrophobicContact CD2-CB 4.3Å; W552-A577 HydrophobicContact CG-CB 3.7Å; W552-F580 HydrophobicContact CH2-CB 3.61Å; W552-F580 HydrophobicContact CH2-CD1 4.27Å; W552-F580 AromaticContact CH2-CD2 3.66Å; W552-F580 HydrophobicContact CH2-CD2 3.66Å; W552-F580 HydrophobicContact CH2-CE2 4.41Å; W552-F580 AromaticContact CH2-CG 3.57Å; W552-F580 HydrophobicContact CH2-CG 3.57Å; W552-F580 HydrophobicContact CZ2-CB 3.52Å; W552-F580 AromaticContact CZ2-CD1 3.7Å; W552-F580 HydrophobicContact CZ2-CD1 3.7Å; W552-F580 AromaticContact CZ2-CD2 3.96Å; W552-F580 HydrophobicContact CZ2-CD2 3.96Å; W552-F580 HydrophobicContact CZ2-CE1 4.4Å; W552-F580 AromaticContact CZ2-CG 3.43Å; W552-F580 HydrophobicContact CZ2-CG 3.43Å; W552-F580 VanDerWaalsContact CZ2-CG 3.43Å
553V88.9Confident85.3Confident28 Ų2868.7 Ų68.717%0.1737%0.369CS..Hα-helixtrans-68.9-33.8171.2172.10000111.2E549 Y551 R557 V569 Q570E549-V553 HydrophobicContact CG-CG2 4.1Å; E549-V553 VanDerWaalsContact O-CB 3.22Å; E549-V553 WeakPolarHBondContact O-CB 3.43Å; E549-V553 WeakPolarHBondContact O-CG2 3.13Å; E549-V553 PolarHBondContact O-N 2.9Å; Y551-V553 PolarHBondContact O-N 3.22Å; V553-R557 WeakPolarHBondContact O-CB 3.36Å; V553-R557 PolarHBondContact O-N 3.25Å; V553-V569 HydrophobicContact CG1-CG1 4.01Å; V553-V569 WeakPolarHBondContact O-CG1 3.41Å; V553-Q570 HydrophobicContact CG2-CG 4.25Å
554G81.8Confident84.6Confident41 Ų4164.9 Ų64.942%0.42335%0.35SS..Hα-helixtrans-64.9-48.5172.700000112.2Q550 Y551 W552 R557 A558Q550-G554 PolarHBondContact O-N 2.95Å; Y551-G554 WeakPolarHBondContact O-CA 3.44Å; Y551-G554 PolarHBondContact O-N 3.03Å; Y551-G554 VanDerWaalsContact O-N 3.11Å; W552-G554 VanDerWaalsContact C-N 3.33Å; G554-R557 WeakPolarHBondContact O-CB 3.46Å; G554-R557 PolarHBondContact O-N 3.14Å; G554-R557 VanDerWaalsContact O-N 3.11Å; G554-A558 PolarHBondContact O-N 3.4Å
555Q83.3Confident84.3Confident35 Ų3572.8 Ų72.816%0.16439%0.385CS..Hα-helixtrans-61-45.3174.7-74.7-65.9-15.900111.9E530 Y551 R557 A558 N559 M576E530-Q555 PolarHBondContact OE2-NE2 2.77Å; Y551-Q555 HydrophobicContact CD1-CG 4.42Å; Y551-Q555 HydrophobicContact CE1-CG 3.96Å; Y551-Q555 HydrophobicContact CE2-CG 4.5Å; Y551-Q555 PolarHBondContact O-N 2.85Å; Q555-R557 PolarHBondContact O-N 3.4Å; Q555-A558 PolarHBondContact O-N 3.3Å; Q555-A558 VanDerWaalsContact O-N 3.17Å; Q555-N559 VanDerWaalsContact O-CG 3.32Å; Q555-N559 PolarHBondContact O-N 3Å; Q555-M576 HydrophobicContact CB-CE 3.96Å
556A85.1Confident84Confident0 Ų075.6 Ų75.60%040%0.401CS..Hα-helixtrans-58.2-37173.200000112.3W552 M560 V569 V572 M576W552-A556 VanDerWaalsContact O-CB 3.24Å; W552-A556 WeakPolarHBondContact O-CB 3.44Å; W552-A556 PolarHBondContact O-N 2.88Å; A556-M560 WeakPolarHBondContact O-CB 3.22Å; A556-M560 WeakPolarHBondContact O-CG 3.37Å; A556-M560 PolarHBondContact O-N 3.12Å; A556-V569 HydrophobicContact CB-CG1 4Å; A556-V572 HydrophobicContact CB-CB 4.05Å; A556-V572 HydrophobicContact CB-CG1 3.77Å; A556-M576 HydrophobicContact CB-SD 3.88Å
557R88.5Confident83.6Confident91 Ų9176.4 Ų76.434%0.34340%0.403SS..Hα-helixtrans-72.5-37.1177-172.4162.4-65.9-117.1-4.1112.7V553 G554 Q555 N559 G561 D566 V569V553-R557 WeakPolarHBondContact O-CB 3.36Å; V553-R557 PolarHBondContact O-N 3.25Å; G554-R557 WeakPolarHBondContact O-CB 3.46Å; G554-R557 PolarHBondContact O-N 3.14Å; G554-R557 VanDerWaalsContact O-N 3.11Å; Q555-R557 PolarHBondContact O-N 3.4Å; R557-N559 VanDerWaalsContact C-N 3.34Å; R557-G561 CarbonylContact O-C 3.54Å; R557-G561 PolarHBondContact O-N 2.84Å; R557-D566 IonicContact CZ-OD1 3.51Å; R557-D566 IonicContact NH1-OD1 3.41Å; R557-D566 PolarHBondContact NH1-OD1 3.05Å; R557-D566 IonicContact NH2-OD1 3.06Å; R557-D566 PolarHBondContact NH2-OD1 2.97Å; R557-V569 HydrophobicContact CB-CG1 3.83Å
558A79.4Confident82.8Confident75 Ų7577.7 Ų77.762%0.6241%0.412SS*.Hα-helixtrans-62-46174.100000110.3G554 Q555G554-A558 PolarHBondContact O-N 3.4Å; Q555-A558 PolarHBondContact O-N 3.3Å; Q555-A558 VanDerWaalsContact O-N 3.17Å
559N77Confident82.2Confident115 Ų11577.5 Ų77.562%0.61541%0.41SS*.Hα-helixtrans-70.6-36.9-179.1-66.4-6.3000113.3Q555 R557Q555-N559 VanDerWaalsContact O-CG 3.32Å; Q555-N559 PolarHBondContact O-N 3Å; R557-N559 VanDerWaalsContact C-N 3.34Å
560M82.3Confident81.8Confident61 Ų6178 Ų7830%0.341%0.413SS..Hα-helixtrans-88.8-8.3-177.8-65.2-178.675.800114.2A556 A564 K568 V569 V572A556-M560 WeakPolarHBondContact O-CB 3.22Å; A556-M560 WeakPolarHBondContact O-CG 3.37Å; A556-M560 PolarHBondContact O-N 3.12Å; M560-A564 HydrophobicContact CB-CB 3.71Å; M560-A564 HydrophobicContact CE-CB 4.1Å; M560-K568 HydrophobicContact CE-CB 4.11Å; M560-K568 HydrophobicContact CE-CD 3.63Å; M560-K568 HydrophobicContact CE-CG 3.68Å; M560-V569 HydrophobicContact SD-CG2 4.09Å; M560-V572 HydrophobicContact CE-CG2 4.39Å; M560-V572 HydrophobicContact SD-CB 4Å; M560-V572 HydrophobicContact SD-CG1 4.27Å; M560-V572 HydrophobicContact SD-CG2 3.76Å
561G72.6Confident81.7Confident22 Ų2276.9 Ų76.923%0.22741%0.405CS..  trans77.8167.1-177.100000115R557 E563 A564R557-G561 CarbonylContact O-C 3.54Å; R557-G561 PolarHBondContact O-N 2.84Å; G561-E563 VanDerWaalsContact C-N 3.28Å; G561-E563 PolarHBondContact O-N 3.2Å; G561-A564 PolarHBondContact O-N 3.3Å
562P75.6Confident81.2Confident119 Ų11976.2 Ų76.277%0.77341%0.407SS*.THydrogen-bonded Turntrans-70.4-16.8-170.227.2-34.8000114.8
563E81.2Confident81.1Confident193 Ų19375.9 Ų75.990%0.90241%0.406SS*.THydrogen-bonded Turntrans-92.4-2-177.7-57.7-162.7169.200113.8G561G561-E563 VanDerWaalsContact C-N 3.28Å; G561-E563 PolarHBondContact O-N 3.2Å
564A73.5Confident81Confident17 Ų1778.2 Ų78.214%0.1442%0.417CS..SBendtrans-66.2135.8-179.600000112.6M560 G561 D566 V569M560-A564 HydrophobicContact CB-CB 3.71Å; M560-A564 HydrophobicContact CE-CB 4.1Å; G561-A564 PolarHBondContact O-N 3.3Å; A564-D566 PolarHBondContact O-N 2.91Å; A564-V569 HydrophobicContact CB-CG2 3.61Å
565K85.3Confident81Confident167 Ų16778.8 Ų78.873%0.72642%0.418SS*.  trans-59128.3176.3-70.9180-178.9170.10110.6T567 K568 V569K565-T567 PolarHBondContact O-N 3.21Å; K565-T567 VanDerWaalsContact O-N 3.07Å; K565-K568 HydrophobicContact CB-CB 4.48Å; K565-K568 WeakPolarHBondContact O-CA 3.28Å; K565-K568 WeakPolarHBondContact O-CB 3.43Å; K565-K568 PolarHBondContact O-N 2.85Å; K565-V569 PolarHBondContact O-N 2.92Å; K565-V569 VanDerWaalsContact O-N 3.13Å
566D81.3Confident81Confident103 Ų10379.3 Ų79.355%0.55142%0.421SS*.Hα-helixtrans-51.3-37.6-176.7-65.7-16.2000113.9R557 A564 K568 V569 Q570R557-D566 IonicContact CZ-OD1 3.51Å; R557-D566 IonicContact NH1-OD1 3.41Å; R557-D566 PolarHBondContact NH1-OD1 3.05Å; R557-D566 IonicContact NH2-OD1 3.06Å; R557-D566 PolarHBondContact NH2-OD1 2.97Å; A564-D566 PolarHBondContact O-N 2.91Å; D566-K568 VanDerWaalsContact C-N 3.31Å; D566-K568 PolarHBondContact O-N 2.94Å; D566-V569 PolarHBondContact O-N 2.77Å; D566-Q570 PolarHBondContact O-N 3.35Å
567T80.6Confident81.1Confident96 Ų9679.4 Ų79.459%0.58942%0.422SS*.Hα-helixtrans-68-29.4178.152.90000113.3K565 K571K565-T567 PolarHBondContact O-N 3.21Å; K565-T567 VanDerWaalsContact O-N 3.07Å; T567-K571 WeakPolarHBondContact O-CG 3.49Å; T567-K571 PolarHBondContact O-N 3.13Å
568K75.4Confident80.9Confident132 Ų13279.5 Ų79.557%0.57442%0.424SS*.Hα-helixtrans-77.8-42.9175.8-158.7179175.2-177.90109.9M560 K565 D566 Q570 K571 V572M560-K568 HydrophobicContact CE-CB 4.11Å; M560-K568 HydrophobicContact CE-CD 3.63Å; M560-K568 HydrophobicContact CE-CG 3.68Å; K565-K568 HydrophobicContact CB-CB 4.48Å; K565-K568 WeakPolarHBondContact O-CA 3.28Å; K565-K568 WeakPolarHBondContact O-CB 3.43Å; K565-K568 PolarHBondContact O-N 2.85Å; D566-K568 VanDerWaalsContact C-N 3.31Å; D566-K568 PolarHBondContact O-N 2.94Å; K568-Q570 VanDerWaalsContact C-N 3.33Å; K568-Q570 PolarHBondContact O-N 3.02Å; K568-K571 PolarHBondContact O-N 2.84Å; K568-V572 WeakPolarHBondContact O-CG2 3.4Å; K568-V572 PolarHBondContact O-N 3.15Å
569V81.6Confident81.1Confident0 Ų079.9 Ų79.90%042%0.419CS..Hα-helixtrans-59.4-42.2175.3-177.90000111.5V553 A556 R557 M560 A564 K565 D566 V572 G573V553-V569 HydrophobicContact CG1-CG1 4.01Å; V553-V569 WeakPolarHBondContact O-CG1 3.41Å; A556-V569 HydrophobicContact CB-CG1 4Å; R557-V569 HydrophobicContact CB-CG1 3.83Å; M560-V569 HydrophobicContact SD-CG2 4.09Å; A564-V569 HydrophobicContact CB-CG2 3.61Å; K565-V569 PolarHBondContact O-N 2.92Å; K565-V569 VanDerWaalsContact O-N 3.13Å; D566-V569 PolarHBondContact O-N 2.77Å; V569-V572 PolarHBondContact O-N 2.97Å; V569-G573 PolarHBondContact O-N 3.02Å
570Q81.4Confident81.5Confident91 Ų9176.1 Ų76.143%0.42540%0.397SS..Hα-helixtrans-63-44.3175.7-100.6-178.6-27.600113.1V553 D566 K568 V572 G573 I574V553-Q570 HydrophobicContact CG2-CG 4.25Å; D566-Q570 PolarHBondContact O-N 3.35Å; K568-Q570 VanDerWaalsContact C-N 3.33Å; K568-Q570 PolarHBondContact O-N 3.02Å; Q570-V572 VanDerWaalsContact C-N 3.34Å; Q570-V572 PolarHBondContact O-N 2.77Å; Q570-G573 PolarHBondContact O-N 3.16Å; Q570-I574 VanDerWaalsContact O-CG1 3.31Å; Q570-I574 WeakPolarHBondContact O-CG1 3.41Å; Q570-I574 PolarHBondContact O-N 3.12Å
571K83.6Confident81.7Confident157 Ų15774.4 Ų74.468%0.68339%0.387SS*.Hα-helixtrans-63.3-41.5178.2-76-178.9177.1-169.40111.9T567 K568 I574 A575T567-K571 WeakPolarHBondContact O-CG 3.49Å; T567-K571 PolarHBondContact O-N 3.13Å; K568-K571 PolarHBondContact O-N 2.84Å; K571-I574 PolarHBondContact O-N 3.22Å; K571-A575 PolarHBondContact O-N 2.85Å; K571-A575 VanDerWaalsContact O-N 3.07Å
572V79Confident82.1Confident49 Ų4978.3 Ų78.330%0.29740%0.4SS..Hα-helixtrans-66.4-44.5177.2174.40000110.7A556 M560 K568 V569 Q570 I574 A575 M576A556-V572 HydrophobicContact CB-CB 4.05Å; A556-V572 HydrophobicContact CB-CG1 3.77Å; M560-V572 HydrophobicContact CE-CG2 4.39Å; M560-V572 HydrophobicContact SD-CB 4Å; M560-V572 HydrophobicContact SD-CG1 4.27Å; M560-V572 HydrophobicContact SD-CG2 3.76Å; K568-V572 WeakPolarHBondContact O-CG2 3.4Å; K568-V572 PolarHBondContact O-N 3.15Å; V569-V572 PolarHBondContact O-N 2.97Å; Q570-V572 VanDerWaalsContact C-N 3.34Å; Q570-V572 PolarHBondContact O-N 2.77Å; V572-I574 VanDerWaalsContact C-N 3.35Å; V572-I574 PolarHBondContact O-N 3.01Å; V572-A575 WeakPolarHBondContact O-CB 3.38Å; V572-A575 PolarHBondContact O-N 3.42Å; V572-A575 VanDerWaalsContact O-N 3.11Å; V572-M576 HydrophobicContact CG1-CG 4.23Å; V572-M576 HydrophobicContact CG1-SD 3.94Å; V572-M576 VanDerWaalsContact O-CG 3.31Å; V572-M576 WeakPolarHBondContact O-CG 3.31Å; V572-M576 PolarHBondContact O-N 3.28Å
573G86.2Confident82.1Confident1 Ų178.8 Ų78.81%0.0140%0.396CS..Hα-helixtrans-59.4-41.4175.800000113.4W552 V569 Q570 A575 M576 A577W552-G573 VanDerWaalsContact CB-O 3.23Å; W552-G573 WeakPolarHBondContact CB-O 3.48Å; W552-G573 WeakPolarHBondContact O-CA 3.41Å; V569-G573 PolarHBondContact O-N 3.02Å; Q570-G573 PolarHBondContact O-N 3.16Å; G573-A575 VanDerWaalsContact C-N 3.33Å; G573-A575 PolarHBondContact O-N 2.92Å; G573-M576 PolarHBondContact O-N 3.32Å; G573-A577 WeakPolarHBondContact O-CB 3.3Å; G573-A577 PolarHBondContact O-N 2.89Å
574I85.5Confident81.9Confident78 Ų7875.4 Ų75.440%0.438%0.38SS..Hα-helixtrans-64.5-39.1175.3-67.4165.7000111.3Q570 K571 V572 K578Q570-I574 VanDerWaalsContact O-CG1 3.31Å; Q570-I574 WeakPolarHBondContact O-CG1 3.41Å; Q570-I574 PolarHBondContact O-N 3.12Å; K571-I574 PolarHBondContact O-N 3.22Å; V572-I574 VanDerWaalsContact C-N 3.35Å; V572-I574 PolarHBondContact O-N 3.01Å; I574-K578 PolarHBondContact O-N 2.91Å; I574-K578 VanDerWaalsContact O-N 3.14Å
575A81.8Confident81.3Confident52 Ų5282.8 Ų82.843%0.4341%0.412SS..Hα-helixtrans-67.2-44.8177.300000111.9K571 V572 G573 A577 K578 V579K571-A575 PolarHBondContact O-N 2.85Å; K571-A575 VanDerWaalsContact O-N 3.07Å; V572-A575 WeakPolarHBondContact O-CB 3.38Å; V572-A575 PolarHBondContact O-N 3.42Å; V572-A575 VanDerWaalsContact O-N 3.11Å; G573-A575 VanDerWaalsContact C-N 3.33Å; G573-A575 PolarHBondContact O-N 2.92Å; A575-A577 VanDerWaalsContact C-N 3.34Å; A575-A577 PolarHBondContact O-N 3.18Å; A575-K578 WeakPolarHBondContact O-CB 3.36Å; A575-K578 PolarHBondContact O-N 3.25Å; A575-K578 VanDerWaalsContact O-N 3.1Å; A575-V579 WeakPolarHBondContact O-CG2 3.44Å; A575-V579 PolarHBondContact O-N 3.01Å
576M84.3Confident81.1Confident47 Ų4778.6 Ų78.623%0.23240%0.396CS..Hα-helixtrans-58.7-44.9176.2-67.9173.676.600111.6W552 Q555 A556 V572 G573 K578 V579 F580W552-M576 HydrophobicContact CD2-CB 4.26Å; W552-M576 HydrophobicContact CE3-CB 3.64Å; W552-M576 HydrophobicContact CE3-CE 4.08Å; W552-M576 HydrophobicContact CZ3-CB 4.22Å; W552-M576 HydrophobicContact CZ3-CE 4.26Å; Q555-M576 HydrophobicContact CB-CE 3.96Å; A556-M576 HydrophobicContact CB-SD 3.88Å; V572-M576 HydrophobicContact CG1-CG 4.23Å; V572-M576 HydrophobicContact CG1-SD 3.94Å; V572-M576 VanDerWaalsContact O-CG 3.31Å; V572-M576 WeakPolarHBondContact O-CG 3.31Å; V572-M576 PolarHBondContact O-N 3.28Å; G573-M576 PolarHBondContact O-N 3.32Å; M576-K578 VanDerWaalsContact C-N 3.27Å; M576-K578 PolarHBondContact O-N 3.22Å; M576-V579 PolarHBondContact O-N 3Å; M576-F580 PolarHBondContact O-N 3.07Å
577A87.3Confident81.1Confident2 Ų277.3 Ų77.32%0.01739%0.388CS..Hα-helixtrans-59.6-38.4175.500000112.4F544 Q545 W552 G573 A575 Y581F544-A577 HydrophobicContact CE1-CB 4.34Å; F544-A577 VanDerWaalsContact CE1-O 3.26Å; F544-A577 WeakPolarHBondContact CE1-O 3.47Å; Q545-A577 HydrophobicContact CG-CB 4.08Å; W552-A577 HydrophobicContact CB-CB 4.22Å; W552-A577 HydrophobicContact CD2-CB 4.3Å; W552-A577 HydrophobicContact CG-CB 3.7Å; G573-A577 WeakPolarHBondContact O-CB 3.3Å; G573-A577 PolarHBondContact O-N 2.89Å; A575-A577 VanDerWaalsContact C-N 3.34Å; A575-A577 PolarHBondContact O-N 3.18Å; A577-Y581 WeakPolarHBondContact O-CB 3.33Å; A577-Y581 PolarHBondContact O-N 3.44Å; A577-Y581 VanDerWaalsContact O-N 3.14Å
578K84.9Confident81.1Confident93 Ų9376.3 Ų76.340%0.40438%0.377SS..Hα-helixtrans-67.4-46.8179.3-174.4177.3170.7-170.70112L541 I574 A575 M576 Y581 E582L541-K578 HydrophobicContact CD1-CB 4.33Å; L541-K578 HydrophobicContact CD1-CG 4.1Å; L541-K578 HydrophobicContact CD2-CD 4.27Å; L541-K578 HydrophobicContact CD2-CG 4Å; I574-K578 PolarHBondContact O-N 2.91Å; I574-K578 VanDerWaalsContact O-N 3.14Å; A575-K578 WeakPolarHBondContact O-CB 3.36Å; A575-K578 PolarHBondContact O-N 3.25Å; A575-K578 VanDerWaalsContact O-N 3.1Å; M576-K578 VanDerWaalsContact C-N 3.27Å; M576-K578 PolarHBondContact O-N 3.22Å; K578-Y581 PolarHBondContact O-N 3Å; K578-E582 WeakPolarHBondContact CE-OE1 3.33Å; K578-E582 IonicContact NZ-OE1 3.13Å; K578-E582 WeakPolarHBondContact O-CG 3.36Å; K578-E582 PolarHBondContact O-N 3.24Å
579V83Confident81.4Confident82 Ų8273 Ų7350%0.49737%0.365SS..Hα-helixtrans-63.5-46.8-179.2174.60000110.4A575 M576 Y581 E582 D583A575-V579 WeakPolarHBondContact O-CG2 3.44Å; A575-V579 PolarHBondContact O-N 3.01Å; M576-V579 PolarHBondContact O-N 3Å; V579-Y581 VanDerWaalsContact C-N 3.25Å; V579-Y581 PolarHBondContact O-N 2.84Å; V579-E582 PolarHBondContact O-N 3.22Å; V579-E582 VanDerWaalsContact O-N 3.12Å; V579-D583 PolarHBondContact O-N 3.19Å
580F85.1Confident81.4Confident36 Ų3677.6 Ų77.616%0.15839%0.388CS..Hα-helixtrans-60.5-36.4177.3-174.7-90.8000112.5H532 P533 V535 F544 W552 M576 Q584H532-F580 HydrophobicContact CB-CD2 4.26Å; H532-F580 HydrophobicContact CB-CE1 4.28Å; H532-F580 HydrophobicContact CB-CE2 3.49Å; H532-F580 VanDerWaalsContact CB-CE2 3.49Å; H532-F580 HydrophobicContact CB-CZ 3.49Å; H532-F580 VanDerWaalsContact CB-CZ 3.49Å; H532-F580 AromaticContact CD2-CE2 3.6Å; H532-F580 AromaticContact CG-CE2 3.8Å; P533-F580 WeakPolarHBondContact O-CE1 3.41Å; V535-F580 HydrophobicContact CG2-CD1 4.36Å; V535-F580 HydrophobicContact CG2-CE1 4.34Å; F544-F580 HydrophobicContact CE1-CD1 4.19Å; F544-F580 AromaticContact CZ-CD1 3.62Å; F544-F580 HydrophobicContact CZ-CD1 3.62Å; F544-F580 HydrophobicContact CZ-CE1 4.12Å; W552-F580 HydrophobicContact CH2-CB 3.61Å; W552-F580 HydrophobicContact CH2-CD1 4.27Å; W552-F580 AromaticContact CH2-CD2 3.66Å; W552-F580 HydrophobicContact CH2-CD2 3.66Å; W552-F580 HydrophobicContact CH2-CE2 4.41Å; W552-F580 AromaticContact CH2-CG 3.57Å; W552-F580 HydrophobicContact CH2-CG 3.57Å; W552-F580 HydrophobicContact CZ2-CB 3.52Å; W552-F580 AromaticContact CZ2-CD1 3.7Å; W552-F580 HydrophobicContact CZ2-CD1 3.7Å; W552-F580 AromaticContact CZ2-CD2 3.96Å; W552-F580 HydrophobicContact CZ2-CD2 3.96Å; W552-F580 HydrophobicContact CZ2-CE1 4.4Å; W552-F580 AromaticContact CZ2-CG 3.43Å; W552-F580 HydrophobicContact CZ2-CG 3.43Å; W552-F580 VanDerWaalsContact CZ2-CG 3.43Å; M576-F580 PolarHBondContact O-N 3.07Å; F580-Q584 HydrophobicContact CD1-CG 4.41Å; F580-Q584 HydrophobicContact CE1-CG 4.06Å; F580-Q584 HydrophobicContact CZ-CG 4.24Å; F580-Q584 VanDerWaalsContact O-CG 3.31Å; F580-Q584 WeakPolarHBondContact O-CG 3.37Å
581Y86.4Confident81.4Confident26 Ų2676.7 Ų76.710%0.10239%0.385CS..Hα-helixtrans-67.6-38.7176.1177.2-84.7000112.8V535 E539 L541 F544 A577 K578 V579 Q584 Q585V535-Y581 HydrophobicContact CB-CD2 4.47Å; V535-Y581 HydrophobicContact CG1-CD2 3.64Å; V535-Y581 HydrophobicContact CG1-CE2 3.63Å; V535-Y581 HydrophobicContact CG2-CD2 3.92Å; V535-Y581 HydrophobicContact CG2-CG 4.47Å; E539-Y581 PolarHBondContact O-OH 3Å; L541-Y581 HydrophobicContact CB-CD1 4.14Å; L541-Y581 HydrophobicContact CB-CE1 3.89Å; L541-Y581 HydrophobicContact CD1-CD1 3.62Å; L541-Y581 HydrophobicContact CD1-CD2 4.38Å; L541-Y581 HydrophobicContact CD1-CE1 4.26Å; L541-Y581 HydrophobicContact CD1-CG 3.69Å; L541-Y581 HydrophobicContact CG-CD1 4.42Å; L541-Y581 PolarHBondContact N-OH 3.33Å; F544-Y581 HydrophobicContact CB-CD2 3.6Å; F544-Y581 HydrophobicContact CB-CE2 4.02Å; F544-Y581 AromaticContact CD1-CD2 3.87Å; F544-Y581 HydrophobicContact CD1-CD2 3.87Å; F544-Y581 HydrophobicContact CD1-CG 4.21Å; F544-Y581 HydrophobicContact CD2-CD2 4.34Å; F544-Y581 AromaticContact CG-CD2 3.67Å; F544-Y581 HydrophobicContact CG-CD2 3.67Å; F544-Y581 HydrophobicContact CG-CG 4.46Å; A577-Y581 WeakPolarHBondContact O-CB 3.33Å; A577-Y581 PolarHBondContact O-N 3.44Å; A577-Y581 VanDerWaalsContact O-N 3.14Å; K578-Y581 PolarHBondContact O-N 3Å; V579-Y581 VanDerWaalsContact C-N 3.25Å; V579-Y581 PolarHBondContact O-N 2.84Å; Y581-Q584 PolarHBondContact O-N 3.13Å; Y581-Q585 HydrophobicContact CD1-CG 4.5Å; Y581-Q585 HydrophobicContact CE1-CG 4.09Å; Y581-Q585 WeakPolarHBondContact O-CG 3.43Å; Y581-Q585 PolarHBondContact OH-NE2 3.01Å
582E81.1Confident81.3Confident103 Ų10370.9 Ų70.948%0.48136%0.364SS..Hα-helixtrans-69.3-33.6178.5-73174.6174.500112.3K578 V579 Q584K578-E582 WeakPolarHBondContact CE-OE1 3.33Å; K578-E582 IonicContact NZ-OE1 3.13Å; K578-E582 WeakPolarHBondContact O-CG 3.36Å; K578-E582 PolarHBondContact O-N 3.24Å; V579-E582 PolarHBondContact O-N 3.22Å; V579-E582 VanDerWaalsContact O-N 3.12Å; E582-Q584 VanDerWaalsContact C-N 3.28Å; E582-Q584 PolarHBondContact O-N 3.29Å
583D76.5Confident81.5Confident130 Ų13072.6 Ų72.670%0.69537%0.369SS*.Hα-helixtrans-71.9-17.7177.6-98.816.4000114.2V579V579-D583 PolarHBondContact O-N 3.19Å
584Q75.3Confident81.1Confident121 Ų12178.6 Ų78.657%0.56540%0.399SS*.THydrogen-bonded Turntrans-102.72.6-177.2-63.3-69-41.500113.5V535 F580 Y581 E582V535-Q584 HydrophobicContact CB-CB 4.19Å; V535-Q584 HydrophobicContact CG2-CB 3.78Å; V535-Q584 HydrophobicContact CG2-CG 4.14Å; F580-Q584 HydrophobicContact CD1-CG 4.41Å; F580-Q584 HydrophobicContact CE1-CG 4.06Å; F580-Q584 HydrophobicContact CZ-CG 4.24Å; F580-Q584 VanDerWaalsContact O-CG 3.31Å; F580-Q584 WeakPolarHBondContact O-CG 3.37Å; Y581-Q584 PolarHBondContact O-N 3.13Å; E582-Q584 VanDerWaalsContact C-N 3.28Å; E582-Q584 PolarHBondContact O-N 3.29Å
585Q61.6Low80.7Confident173 Ų17378.6 Ų78.681%0.80840%0.399SS*.  trans-980175.1-74-93.7-18.700110.9Y581Y581-Q585 HydrophobicContact CD1-CG 4.5Å; Y581-Q585 HydrophobicContact CE1-CG 4.09Å; Y581-Q585 WeakPolarHBondContact O-CG 3.43Å; Y581-Q585 PolarHBondContact OH-NE2 3.01Å

Retrieved 585 of 585 residues in 1016 ms (Link to these results)

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