A0A087XGB5_POEFO Loading...

Zinc finger, CCHC domain containing 4

AlphaFold DB , UniProt , Accession A0A087XGB5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 417 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
1M60.3Low74.3Confident193 Ų193119.4 Ų119.495%0.95162%0.624SS**  0-55.40-144177.5-68.400109.9A3 R4 E5M1-A3 PolarHBondContact O-N 3.28Å; M1-R4 PolarHBondContact O-N 3Å; M1-R4 VanDerWaalsContact O-N 3.12Å; M1-E5 PolarHBondContact O-N 2.8Å
2L73.3Confident74.8Confident141 Ų141124.2 Ų124.274%0.73863%0.627SS**Hα-helixtrans-51.8-44179.5-62.9168.6000116.3R4 E5 A6L2-R4 VanDerWaalsContact C-N 3.32Å; L2-R4 PolarHBondContact O-N 3.17Å; L2-E5 PolarHBondContact O-N 3.23Å; L2-A6 WeakPolarHBondContact O-CB 3.05Å; L2-A6 PolarHBondContact O-N 2.91Å
3A77.4Confident75.6Confident84 Ų84118.9 Ų118.969%0.69461%0.607SS**Hα-helixtrans-65-34.4-179.900000113.2M1 E7M1-A3 PolarHBondContact O-N 3.28Å; A3-E7 WeakPolarHBondContact O-CB 3.32Å; A3-E7 PolarHBondContact O-N 3.32Å; A3-E7 VanDerWaalsContact O-N 3.08Å
4R70.6Confident76.5Confident187 Ų187122.9 Ų122.971%0.70661%0.611SS**Hα-helixtrans-73.3-37177.4-176177.1177.5178.2-1.1111.1M1 L2 E7 M8M1-R4 PolarHBondContact O-N 3Å; M1-R4 VanDerWaalsContact O-N 3.12Å; L2-R4 VanDerWaalsContact C-N 3.32Å; L2-R4 PolarHBondContact O-N 3.17Å; R4-E7 PolarHBondContact O-N 3.24Å; R4-M8 WeakPolarHBondContact O-CG 3.47Å; R4-M8 PolarHBondContact O-N 3.27Å
5E78.8Confident77.5Confident92 Ų92116.9 Ų116.943%0.4358%0.58SS.*Hα-helixtrans-66.5-44.6175.1-72163.5176.700111.3M1 L2 E7 M8 L9M1-E5 PolarHBondContact O-N 2.8Å; L2-E5 PolarHBondContact O-N 3.23Å; E5-E7 VanDerWaalsContact C-N 3.32Å; E5-E7 PolarHBondContact O-N 3.42Å; E5-M8 PolarHBondContact O-N 3.21Å; E5-M8 VanDerWaalsContact O-N 3.1Å; E5-L9 WeakPolarHBondContact O-CG 3.44Å; E5-L9 PolarHBondContact O-N 3.23Å
6A75.2Confident78.4Confident56 Ų56113 Ų11346%0.46357%0.567SS.*Hα-helixtrans-59.6-41.4174.200000112.3L2 M8 L9 S10L2-A6 WeakPolarHBondContact O-CB 3.05Å; L2-A6 PolarHBondContact O-N 2.91Å; A6-M8 VanDerWaalsContact C-N 3.34Å; A6-M8 PolarHBondContact O-N 3.36Å; A6-L9 PolarHBondContact O-N 3.13Å; A6-S10 PolarHBondContact O-N 3.37Å
7E77.3Confident79.1Confident100 Ų100108.1 Ų108.147%0.46754%0.542SS..Hα-helixtrans-65.8-34.2174.1-168.1-167.1162.600112.7A3 R4 E5 S10 K11A3-E7 WeakPolarHBondContact O-CB 3.32Å; A3-E7 PolarHBondContact O-N 3.32Å; A3-E7 VanDerWaalsContact O-N 3.08Å; R4-E7 PolarHBondContact O-N 3.24Å; E5-E7 VanDerWaalsContact C-N 3.32Å; E5-E7 PolarHBondContact O-N 3.42Å; E7-S10 PolarHBondContact O-OG 3.3Å; E7-K11 WeakPolarHBondContact O-CG 3.28Å; E7-K11 PolarHBondContact O-N 2.78Å; E7-K11 WeakPolarHBondContact OE1-CE 3.43Å; E7-K11 IonicContact OE1-NZ 3.45Å; E7-K11 PolarHBondContact OE1-NZ 3.24Å
8M76.1Confident79.8Confident123 Ų123109.5 Ų109.561%0.60655%0.547SS*.Hα-helixtrans-71.3-36.6174.4-74.1-176.167.800111.9R4 E5 A6 K11 R12R4-M8 WeakPolarHBondContact O-CG 3.47Å; R4-M8 PolarHBondContact O-N 3.27Å; E5-M8 PolarHBondContact O-N 3.21Å; E5-M8 VanDerWaalsContact O-N 3.1Å; A6-M8 VanDerWaalsContact C-N 3.34Å; A6-M8 PolarHBondContact O-N 3.36Å; M8-K11 PolarHBondContact O-N 3.16Å; M8-R12 PolarHBondContact O-N 3.24Å
9L74.1Confident80.6Confident98 Ų98108.9 Ų108.951%0.51354%0.542SS..Hα-helixtrans-65.4-40.4175.6-71.4171.4000111.5E5 A6 K11 R12E5-L9 WeakPolarHBondContact O-CG 3.44Å; E5-L9 PolarHBondContact O-N 3.23Å; A6-L9 PolarHBondContact O-N 3.13Å; L9-K11 PolarHBondContact O-N 3Å; L9-R12 WeakPolarHBondContact O-CB 3.33Å; L9-R12 PolarHBondContact O-N 3.15Å; L9-R12 VanDerWaalsContact O-N 3.13Å
10S75.1Confident81.3Confident96 Ų96103.7 Ų103.767%0.67152%0.516SS*.Hα-helixtrans-68.1-19.417869.80000113.9A6 E7A6-S10 PolarHBondContact O-N 3.37Å; E7-S10 PolarHBondContact O-OG 3.3Å
11K78.8Confident81.9Confident143 Ų14399.8 Ų99.862%0.62250%0.499SS*.THydrogen-bonded Turntrans-91.1-0.6175.5-68.1174.1-172.2171.60113.5E7 M8 L9E7-K11 WeakPolarHBondContact O-CG 3.28Å; E7-K11 PolarHBondContact O-N 2.78Å; E7-K11 WeakPolarHBondContact OE1-CE 3.43Å; E7-K11 IonicContact OE1-NZ 3.45Å; E7-K11 PolarHBondContact OE1-NZ 3.24Å; M8-K11 PolarHBondContact O-N 3.16Å; L9-K11 PolarHBondContact O-N 3Å
12R80.1Confident83.5Confident177 Ų17794 Ų9467%0.66848%0.477SS*.SBendtrans-66.9152.1176.6-75.5-173.5172.6-176.5-0.3110.7M8 L9M8-R12 PolarHBondContact O-N 3.24Å; L9-R12 WeakPolarHBondContact O-CB 3.33Å; L9-R12 PolarHBondContact O-N 3.15Å; L9-R12 VanDerWaalsContact O-N 3.13Å
13P86.3Confident84.6Confident56 Ų5689 Ų8936%0.36445%0.449SS..  trans-54.9145.3171.6-23.133.2000111.7F15 F136P13-F15 PolarHBondContact O-N 2.86Å; P13-F136 HydrophobicContact CB-CD1 3.23Å; P13-F136 HydrophobicContact CB-CE1 3.34Å; P13-F136 HydrophobicContact CB-CG 3.88Å; P13-F136 HydrophobicContact CB-CZ 4.08Å; P13-F136 HydrophobicContact CG-CB 4.01Å; P13-F136 HydrophobicContact CG-CD1 3.47Å; P13-F136 VanDerWaalsContact CG-CD1 3.47Å; P13-F136 HydrophobicContact CG-CD2 4.02Å; P13-F136 HydrophobicContact CG-CE1 3.86Å; P13-F136 HydrophobicContact CG-CE2 4.38Å; P13-F136 HydrophobicContact CG-CG 3.53Å; P13-F136 HydrophobicContact CG-CZ 4.29Å
14R87.4Confident85.5Confident175 Ų17587.4 Ų87.466%0.6643%0.426SS*.SBendtrans-59.7-33.3179179.3177.6174.6-178.8-3.8112.9
15F91.3Very high86.6Confident32 Ų3284.5 Ų84.514%0.1442%0.424CS..SBendtrans-117.7142-178.9-54.4-64.2000109.3P13 E19 F136P13-F15 PolarHBondContact O-N 2.86Å; F15-E19 HydrophobicContact CB-CB 4.22Å; F15-F136 WeakPolarHBondContact O-CE1 3.48Å; F15-F136 WeakPolarHBondContact O-CZ 3.36Å
16S91.8Very high87.5Confident55 Ų5584.9 Ų84.939%0.38543%0.426SS..  trans-67.6162.3162.867.30000110.8Q18 E19 C20S16-Q18 VanDerWaalsContact C-N 3.27Å; S16-Q18 PolarHBondContact O-N 3.14Å; S16-E19 VanDerWaalsContact CB-OE2 3.3Å; S16-E19 WeakPolarHBondContact CB-OE2 3.39Å; S16-E19 PolarHBondContact N-OE2 3.05Å; S16-E19 PolarHBondContact O-N 2.78Å; S16-E19 WeakPolarHBondContact OG-CB 3.47Å; S16-E19 VanDerWaalsContact OG-CD 3.31Å; S16-E19 VanDerWaalsContact OG-CG 3.25Å; S16-E19 WeakPolarHBondContact OG-CG 3.41Å; S16-E19 PolarHBondContact OG-N 3.21Å; S16-E19 PolarHBondContact OG-OE2 3.48Å; S16-C20 PolarHBondContact O-N 2.9Å; S16-C20 PolarHBondContact O-SG 3.46Å
17Q90.7Very high88.5Confident30 Ų3082.3 Ų82.314%0.1440%0.404CS..Hα-helixtrans-64.1-34177.8-174.5169-11.900112.3C20 C21 F136 Q144 F147Q17-C20 WeakPolarHBondContact O-CB 3.19Å; Q17-C20 PolarHBondContact O-N 3.35Å; Q17-C21 PolarHBondContact O-N 2.78Å; Q17-C21 PolarHBondContact O-SG 3.1Å; Q17-F136 HydrophobicContact CB-CE2 4.41Å; Q17-F136 HydrophobicContact CB-CZ 4.5Å; Q17-Q144 HydrophobicContact CG-CG 4.5Å; Q17-F147 PolarHBondContact NE2-O 3.44Å
18Q91.5Very high89.3Confident133 Ų13379.5 Ų79.562%0.62140%0.398SS*.Hα-helixtrans-65.4-44.1174.9-172.1175.78.400111.6S16 C20 C21 S22S16-Q18 VanDerWaalsContact C-N 3.27Å; S16-Q18 PolarHBondContact O-N 3.14Å; Q18-C20 VanDerWaalsContact C-N 3.34Å; Q18-C20 PolarHBondContact O-N 3.28Å; Q18-C21 PolarHBondContact O-N 2.84Å; Q18-S22 PolarHBondContact O-N 2.86Å; Q18-S22 PolarHBondContact O-OG 2.83Å
19E94.9Very high90.2Very high99 Ų9978.1 Ų78.146%0.46340%0.401SS..Hα-helixtrans-62.2-41.7174.1-72.2164.6130.200111.4F15 S16 C21 S22 R23F15-E19 HydrophobicContact CB-CB 4.22Å; S16-E19 VanDerWaalsContact CB-OE2 3.3Å; S16-E19 WeakPolarHBondContact CB-OE2 3.39Å; S16-E19 PolarHBondContact N-OE2 3.05Å; S16-E19 PolarHBondContact O-N 2.78Å; S16-E19 WeakPolarHBondContact OG-CB 3.47Å; S16-E19 VanDerWaalsContact OG-CD 3.31Å; S16-E19 VanDerWaalsContact OG-CG 3.25Å; S16-E19 WeakPolarHBondContact OG-CG 3.41Å; S16-E19 PolarHBondContact OG-N 3.21Å; S16-E19 PolarHBondContact OG-OE2 3.48Å; E19-C21 VanDerWaalsContact C-N 3.32Å; E19-C21 PolarHBondContact O-N 2.94Å; E19-S22 PolarHBondContact O-N 3.37Å; E19-R23 VanDerWaalsContact O-CB 3.26Å; E19-R23 WeakPolarHBondContact O-CB 3.32Å; E19-R23 WeakPolarHBondContact O-CD 2.98Å; E19-R23 WeakPolarHBondContact O-CG 3.28Å; E19-R23 PolarHBondContact O-N 2.66Å
20C95.6Very high91.2Very high4 Ų474.5 Ų74.53%0.02738%0.381CS..Hα-helixtrans-56-44.8173.7-76.70000112.3S16 Q17 Q18 R23 F24 A139 Q140S16-C20 PolarHBondContact O-N 2.9Å; S16-C20 PolarHBondContact O-SG 3.46Å; Q17-C20 WeakPolarHBondContact O-CB 3.19Å; Q17-C20 PolarHBondContact O-N 3.35Å; Q18-C20 VanDerWaalsContact C-N 3.34Å; Q18-C20 PolarHBondContact O-N 3.28Å; C20-R23 PolarHBondContact O-N 2.99Å; C20-F24 WeakPolarHBondContact O-CB 3.26Å; C20-F24 PolarHBondContact O-N 3.44Å; C20-A139 HydrophobicContact CB-CB 4.26Å; C20-A139 WeakPolarHBondContact CB-O 3.07Å; C20-Q140 HydrophobicContact CB-CB 4.49Å
21C92.4Very high92.1Very high21 Ų2173.4 Ų73.414%0.14237%0.372CS..Hα-helixtrans-64.2-49178.5-660000111.9Q17 Q18 E19 R23 F24 L25 Q144Q17-C21 PolarHBondContact O-N 2.78Å; Q17-C21 PolarHBondContact O-SG 3.1Å; Q18-C21 PolarHBondContact O-N 2.84Å; E19-C21 VanDerWaalsContact C-N 3.32Å; E19-C21 PolarHBondContact O-N 2.94Å; C21-R23 VanDerWaalsContact C-N 3.32Å; C21-R23 PolarHBondContact O-N 2.9Å; C21-F24 PolarHBondContact O-N 2.89Å; C21-L25 PolarHBondContact O-N 3.1Å; C21-L25 VanDerWaalsContact O-N 3.07Å; C21-Q144 VanDerWaalsContact SG-CG 3.56Å
22S95.2Very high92.8Very high72 Ų7272.1 Ų72.150%0.50337%0.367SS..Hα-helixtrans-60.7-42.8178.1-60.70000111.8Q18 E19 L25 Q26Q18-S22 PolarHBondContact O-N 2.86Å; Q18-S22 PolarHBondContact O-OG 2.83Å; E19-S22 PolarHBondContact O-N 3.37Å; S22-L25 PolarHBondContact O-N 3.27Å; S22-Q26 PolarHBondContact O-N 3.36Å; S22-Q26 VanDerWaalsContact O-N 3.12Å
23R96.4Very high93.4Very high37 Ų3769.5 Ų69.514%0.1437%0.365CS..Hα-helixtrans-63.2-40.4175.6-72.3170.662.281.95.8112E19 C20 C21 Q26 F27 L44 L46 E49E19-R23 VanDerWaalsContact O-CB 3.26Å; E19-R23 WeakPolarHBondContact O-CB 3.32Å; E19-R23 WeakPolarHBondContact O-CD 2.98Å; E19-R23 WeakPolarHBondContact O-CG 3.28Å; E19-R23 PolarHBondContact O-N 2.66Å; C20-R23 PolarHBondContact O-N 2.99Å; C21-R23 VanDerWaalsContact C-N 3.32Å; C21-R23 PolarHBondContact O-N 2.9Å; R23-Q26 PolarHBondContact O-N 3.28Å; R23-F27 VanDerWaalsContact O-CB 3.25Å; R23-F27 WeakPolarHBondContact O-CB 3.39Å; R23-F27 PolarHBondContact O-N 2.99Å; R23-L44 PolarHBondContact NH2-O 3.13Å; R23-L46 HydrophobicContact CG-CD1 4.16Å; R23-E49 IonicContact CZ-OE1 3.54Å; R23-E49 IonicContact CZ-OE2 2.64Å; R23-E49 IonicContact NH1-OE1 3.38Å; R23-E49 PolarHBondContact NH1-OE1 3.33Å; R23-E49 IonicContact NH1-OE2 2.71Å; R23-E49 PolarHBondContact NH1-OE2 2.74Å; R23-E49 IonicContact NH2-OE1 2.76Å; R23-E49 PolarHBondContact NH2-OE1 2.86Å; R23-E49 IonicContact NH2-OE2 3.97Å; R23-E49 PolarHBondContact NH2-OE2 3.15Å
24F95.8Very high93.8Very high50 Ų5070.3 Ų70.322%0.21936%0.364CS..Hα-helixtrans-63.8-43.7178.6179.9-108.1000111.8C20 C21 Q26 F27 A28 L44 L66 Q140C20-F24 WeakPolarHBondContact O-CB 3.26Å; C20-F24 PolarHBondContact O-N 3.44Å; C21-F24 PolarHBondContact O-N 2.89Å; F24-Q26 PolarHBondContact O-N 2.81Å; F24-F27 PolarHBondContact O-N 3.21Å; F24-A28 VanDerWaalsContact O-CB 3.27Å; F24-A28 WeakPolarHBondContact O-CB 3.5Å; F24-A28 PolarHBondContact O-N 3.3Å; F24-L44 HydrophobicContact CD2-CD1 4.08Å; F24-L66 HydrophobicContact CE2-CD2 4.31Å; F24-Q140 WeakPolarHBondContact CB-O 3.41Å; F24-Q140 WeakPolarHBondContact CD2-O 3.24Å
25L94.7Very high94.2Very high125 Ų12563.5 Ų63.565%0.65434%0.339SS*.Hα-helixtrans-60.9-44.8176.1-68.3174.2000111.6C21 S22 A28 S29C21-L25 PolarHBondContact O-N 3.1Å; C21-L25 VanDerWaalsContact O-N 3.07Å; S22-L25 PolarHBondContact O-N 3.27Å; L25-A28 PolarHBondContact O-N 3.44Å; L25-S29 PolarHBondContact O-N 2.81Å
26Q96.3Very high94.5Very high100 Ų10065.1 Ų65.147%0.46735%0.346SS..Hα-helixtrans-63.1-44.8174.8-173.2-179.61.200111.5S22 R23 F24 A28 S29 L30 L46S22-Q26 PolarHBondContact O-N 3.36Å; S22-Q26 VanDerWaalsContact O-N 3.12Å; R23-Q26 PolarHBondContact O-N 3.28Å; F24-Q26 PolarHBondContact O-N 2.81Å; Q26-A28 VanDerWaalsContact C-N 3.34Å; Q26-A28 PolarHBondContact O-N 3.45Å; Q26-S29 PolarHBondContact O-N 3.48Å; Q26-S29 PolarHBondContact O-OG 3.4Å; Q26-L30 WeakPolarHBondContact O-CG 3.41Å; Q26-L30 PolarHBondContact O-N 3.12Å; Q26-L46 HydrophobicContact CB-CD2 4.04Å; Q26-L46 HydrophobicContact CG-CD2 3.82Å; Q26-L46 VanDerWaalsContact OE1-CD1 3.23Å
27F96.8Very high94.8Very high2 Ų262.5 Ų62.51%0.00933%0.328CS..Hα-helixtrans-62.7-41.3178.7-173.3-85.2000111.9R23 F24 S29 L30 K35 K36 L44 L45 L46 V61 L66R23-F27 VanDerWaalsContact O-CB 3.25Å; R23-F27 WeakPolarHBondContact O-CB 3.39Å; R23-F27 PolarHBondContact O-N 2.99Å; F24-F27 PolarHBondContact O-N 3.21Å; F27-S29 VanDerWaalsContact C-N 3.27Å; F27-S29 PolarHBondContact O-N 3.27Å; F27-L30 HydrophobicContact CD2-CD1 4.1Å; F27-L30 HydrophobicContact CG-CD1 4.5Å; F27-L30 WeakPolarHBondContact O-CB 3.26Å; F27-L30 PolarHBondContact O-N 3.47Å; F27-K35 HydrophobicContact CD1-CG 4.28Å; F27-K35 HydrophobicContact CE1-CB 3.8Å; F27-K35 HydrophobicContact CE1-CD 4.29Å; F27-K35 HydrophobicContact CE1-CG 3.74Å; F27-K35 HydrophobicContact CE2-CB 4.36Å; F27-K35 VanDerWaalsContact CZ-CA 3.45Å; F27-K35 HydrophobicContact CZ-CB 3.58Å; F27-K35 HydrophobicContact CZ-CG 3.93Å; F27-K35 WeakPolarHBondContact O-CE 3.26Å; F27-K36 VanDerWaalsContact CE2-O 3.32Å; F27-K36 WeakPolarHBondContact CE2-O 3.13Å; F27-L44 HydrophobicContact CD1-CD1 4.2Å; F27-L44 HydrophobicContact CD1-CD2 4.27Å; F27-L44 HydrophobicContact CD2-CB 3.91Å; F27-L44 HydrophobicContact CE1-CD2 3.81Å; F27-L44 HydrophobicContact CE2-CB 3.99Å; F27-L44 HydrophobicContact CE2-CD2 4.1Å; F27-L44 HydrophobicContact CG-CB 4.26Å; F27-L44 HydrophobicContact CG-CD1 4.33Å; F27-L44 HydrophobicContact CZ-CB 4.43Å; F27-L44 HydrophobicContact CZ-CD2 3.69Å; F27-L45 VanDerWaalsContact CD2-O 3.26Å; F27-L45 WeakPolarHBondContact CD2-O 3.27Å; F27-L45 WeakPolarHBondContact CE2-O 3.06Å; F27-L46 HydrophobicContact CB-CD2 4.22Å; F27-V61 HydrophobicContact CE1-CB 4.33Å; F27-V61 HydrophobicContact CZ-CB 4.22Å; F27-V61 HydrophobicContact CZ-CG2 4.06Å; F27-L66 HydrophobicContact CD1-CD1 4.08Å; F27-L66 HydrophobicContact CD1-CD2 4.04Å; F27-L66 HydrophobicContact CE1-CD1 3.95Å; F27-L66 HydrophobicContact CE1-CD2 3.72Å; F27-L66 HydrophobicContact CE1-CG 4.29Å
28A93.8Very high95.1Very high41 Ų4161.1 Ų61.134%0.33932%0.321SS..Hα-helixtrans-64.5-30.8-179.200000112.5F24 L25 Q26 K35F24-A28 VanDerWaalsContact O-CB 3.27Å; F24-A28 WeakPolarHBondContact O-CB 3.5Å; F24-A28 PolarHBondContact O-N 3.3Å; L25-A28 PolarHBondContact O-N 3.44Å; Q26-A28 VanDerWaalsContact C-N 3.34Å; Q26-A28 PolarHBondContact O-N 3.45Å; A28-K35 VanDerWaalsContact O-CE 3.28Å; A28-K35 WeakPolarHBondContact O-CE 3.34Å; A28-K35 PolarHBondContact O-NZ 3.38Å
29S94.9Very high95.3Very high95 Ų9557.5 Ų57.566%0.66430%0.304SS*.Hα-helixtrans-81.4-11.7177.3680000114.3L25 Q26 F27L25-S29 PolarHBondContact O-N 2.81Å; Q26-S29 PolarHBondContact O-N 3.48Å; Q26-S29 PolarHBondContact O-OG 3.4Å; F27-S29 VanDerWaalsContact C-N 3.27Å; F27-S29 PolarHBondContact O-N 3.27Å
30L95.9Very high95.3Very high21 Ų2156.6 Ų56.611%0.1130%0.303CS..SBendtrans-64.7151.5-179.7-62.9175.8000113Q26 F27 E34 K35 L46 P47Q26-L30 WeakPolarHBondContact O-CG 3.41Å; Q26-L30 PolarHBondContact O-N 3.12Å; F27-L30 HydrophobicContact CD2-CD1 4.1Å; F27-L30 HydrophobicContact CG-CD1 4.5Å; F27-L30 WeakPolarHBondContact O-CB 3.26Å; F27-L30 PolarHBondContact O-N 3.47Å; L30-E34 HydrophobicContact CB-CB 4.3Å; L30-E34 HydrophobicContact CD1-CB 4.46Å; L30-K35 HydrophobicContact CB-CG 3.93Å; L30-K35 WeakPolarHBondContact O-CE 3.25Å; L30-K35 PolarHBondContact O-NZ 3.07Å; L30-L46 HydrophobicContact CD1-CD2 4.41Å; L30-P47 HydrophobicContact CD1-CG 4.08Å; L30-P47 HydrophobicContact CD2-CG 3.85Å
31P94.6Very high95.2Very high74 Ų7459 Ų5948%0.48132%0.319SS..  trans-57.4150.3164.9-21.433.1000111.8I33 E34 K35P31-I33 VanDerWaalsContact C-N 3.26Å; P31-I33 HydrophobicContact CB-CG2 4.47Å; P31-I33 PolarHBondContact O-N 3.43Å; P31-E34 PolarHBondContact O-N 3.25Å; P31-K35 PolarHBondContact O-N 2.99Å
32F92.7Very high95.4Very high116 Ų11658.9 Ų58.951%0.50932%0.316SS..G310 helixtrans-53.5-40.5-177.3172-108.5000113.6E34 K35 T62F32-E34 PolarHBondContact O-N 2.8Å; F32-K35 PolarHBondContact O-N 2.76Å; F32-T62 HydrophobicContact CE2-CG2 3.87Å; F32-T62 HydrophobicContact CZ-CG2 4.48Å
33I92.1Very high95.4Very high121 Ų12156.5 Ų56.562%0.62130%0.297SS*.G310 helixtrans-66.3-22.3-178.2-164.261.4000113.3P31P31-I33 VanDerWaalsContact C-N 3.26Å; P31-I33 HydrophobicContact CB-CG2 4.47Å; P31-I33 PolarHBondContact O-N 3.43Å
34E94.3Very high95.5Very high73 Ų7355.1 Ų55.134%0.34129%0.293SS..G310 helixtrans-95.3-14.8179.9-62.6-171.8177.300112.9L30 P31 F32 K36 P47 H50L30-E34 HydrophobicContact CB-CB 4.3Å; L30-E34 HydrophobicContact CD1-CB 4.46Å; P31-E34 PolarHBondContact O-N 3.25Å; F32-E34 PolarHBondContact O-N 2.8Å; E34-K36 PolarHBondContact O-N 2.9Å; E34-P47 HydrophobicContact CB-CG 4.49Å; E34-P47 WeakPolarHBondContact OE2-CG 3.04Å; E34-H50 PolarHBondContact O-CE1 3.47Å; E34-H50 PolarHBondContact O-NE2 2.92Å
35K96.6Very high95.5Very high32 Ų3252.8 Ų52.814%0.13928%0.283CS..  trans-73.586.6177.4-75.3175.2166.31460110.4F27 A28 L30 P31 F32 T60 V61F27-K35 HydrophobicContact CD1-CG 4.28Å; F27-K35 HydrophobicContact CE1-CB 3.8Å; F27-K35 HydrophobicContact CE1-CD 4.29Å; F27-K35 HydrophobicContact CE1-CG 3.74Å; F27-K35 HydrophobicContact CE2-CB 4.36Å; F27-K35 VanDerWaalsContact CZ-CA 3.45Å; F27-K35 HydrophobicContact CZ-CB 3.58Å; F27-K35 HydrophobicContact CZ-CG 3.93Å; F27-K35 WeakPolarHBondContact O-CE 3.26Å; A28-K35 VanDerWaalsContact O-CE 3.28Å; A28-K35 WeakPolarHBondContact O-CE 3.34Å; A28-K35 PolarHBondContact O-NZ 3.38Å; L30-K35 HydrophobicContact CB-CG 3.93Å; L30-K35 WeakPolarHBondContact O-CE 3.25Å; L30-K35 PolarHBondContact O-NZ 3.07Å; P31-K35 PolarHBondContact O-N 2.99Å; F32-K35 PolarHBondContact O-N 2.76Å; K35-T60 CarbonylContact O-C 3.48Å; K35-T60 WeakPolarHBondContact O-CA 3.33Å; K35-V61 HydrophobicContact CB-CB 4.4Å; K35-V61 PolarHBondContact O-N 2.96Å
36K97Very high95.6Very high66 Ų6647.7 Ų47.729%0.28726%0.256SS..EExtended strand (participates in β ladder)trans-107.9139.6179.7-62.7-173.6-177.6179.40112.4F27 E34 L45 T59F27-K36 VanDerWaalsContact CE2-O 3.32Å; F27-K36 WeakPolarHBondContact CE2-O 3.13Å; E34-K36 PolarHBondContact O-N 2.9Å; K36-L45 HydrophobicContact CB-CB 4.42Å; K36-L45 HydrophobicContact CB-CD1 4.35Å; K36-L45 PolarHBondContact O-N 3.22Å; K36-T59 CarbonylContact C-O 3.49Å; K36-T59 WeakPolarHBondContact CA-O 3.45Å
37F97.8Very high95.6Very high1 Ų145.1 Ų45.10%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-112.7131.6169.3175.4-102.1000109.3E39 Q42 I43 L44 T58 T59 V61 L72 L73 F141F37-E39 HydrophobicContact CD1-CG 4.24Å; F37-E39 HydrophobicContact CE1-CG 4.37Å; F37-Q42 HydrophobicContact CZ-CB 4.37Å; F37-I43 VanDerWaalsContact CD2-C 3.49Å; F37-I43 VanDerWaalsContact CD2-O 3.29Å; F37-I43 WeakPolarHBondContact CD2-O 3.22Å; F37-L44 HydrophobicContact CB-CD2 4.43Å; F37-L44 HydrophobicContact CD2-CD2 4.03Å; F37-T58 CarbonylContact O-C 3.6Å; F37-T58 VanDerWaalsContact O-CA 3.24Å; F37-T58 WeakPolarHBondContact O-CA 3.29Å; F37-T59 HydrophobicContact CB-CG2 4.2Å; F37-T59 HydrophobicContact CD1-CG2 4.23Å; F37-T59 PolarHBondContact N-O 3.38Å; F37-T59 PolarHBondContact O-N 3.23Å; F37-V61 HydrophobicContact CB-CG2 3.43Å; F37-V61 VanDerWaalsContact CB-CG2 3.43Å; F37-L72 HydrophobicContact CE1-CB 4.38Å; F37-L72 WeakPolarHBondContact CE1-O 3.44Å; F37-L72 HydrophobicContact CZ-CB 4.38Å; F37-L73 HydrophobicContact CE2-CD2 4.27Å; F37-L73 HydrophobicContact CZ-CD2 4.1Å; F37-F141 HydrophobicContact CE2-CZ 4.33Å
38C97.3Very high95.6Very high0 Ų049.4 Ų49.40%028%0.284CS..EExtended strand (participates in β ladder)trans-88.5116.2174.4-176.40000110.2D40 C41 Q42 I43 L45 H53 H56 T58C38-D40 VanDerWaalsContact C-N 3.34Å; C38-C41 HydrophobicContact CB-CB 4.2Å; C38-C41 PolarHBondContact SG-N 2.77Å; C38-C41 VanDerWaalsContact SG-N 3.44Å; C38-Q42 VanDerWaalsContact O-CA 3.22Å; C38-Q42 WeakPolarHBondContact O-CA 3.34Å; C38-Q42 PolarHBondContact O-N 3.38Å; C38-I43 HydrophobicContact CB-CG1 4.31Å; C38-I43 PolarHBondContact N-O 3.19Å; C38-I43 PolarHBondContact O-N 3.39Å; C38-L45 HydrophobicContact CB-CD1 3.99Å; C38-L45 HydrophobicContact CB-CD2 4.09Å; C38-L45 HydrophobicContact CB-CG 4.07Å; C38-H53 PolarHBondContact SG-ND1 2.72Å; C38-H56 VanDerWaalsContact SG-CB 3.53Å; C38-T58 HydrophobicContact CB-CG2 4.34Å
39E95.6Very high95.7Very high57 Ų5748.8 Ų48.827%0.26627%0.274SS..THydrogen-bonded Turntrans-73.3-27.8-179.1-62.1-179.7178.300112.3F37 Q42 R57 T59F37-E39 HydrophobicContact CD1-CG 4.24Å; F37-E39 HydrophobicContact CE1-CG 4.37Å; E39-Q42 PolarHBondContact O-NE2 3.36Å; E39-R57 HydrophobicContact CB-CB 4.06Å; E39-R57 PolarHBondContact N-O 3.49Å; E39-R57 IonicContact OE2-CZ 3.18Å; E39-R57 IonicContact OE2-NE 2.99Å; E39-R57 PolarHBondContact OE2-NE 2.87Å; E39-R57 IonicContact OE2-NH2 2.66Å; E39-R57 PolarHBondContact OE2-NH2 3.4Å; E39-T59 HydrophobicContact CG-CG2 4.42Å
40D94.8Very high95.7Very high81 Ų8146.3 Ų46.343%0.43325%0.252SS..THydrogen-bonded Turntrans-77.5-43.2-179.8-60.6-28.7000110.9C38 H56 R57C38-D40 VanDerWaalsContact C-N 3.34Å; D40-H56 HydrophobicContact CB-CB 4.28Å; D40-H56 VanDerWaalsContact OD2-CA 3.26Å; D40-H56 WeakPolarHBondContact OD2-CA 3.38Å; D40-H56 WeakPolarHBondContact OD2-CB 3.48Å; D40-H56 IonicContact OD2-CD2 3.95Å; D40-H56 IonicContact OD2-CG 3.9Å; D40-R57 PolarHBondContact OD2-N 3.1Å
41C94.6Very high95.7Very high55 Ų5549.7 Ų49.737%0.37228%0.277SS..THydrogen-bonded Turntrans-88.2-14.9179.6-60.60000113.8C38 I43 H53 H56C38-C41 HydrophobicContact CB-CB 4.2Å; C38-C41 PolarHBondContact SG-N 2.77Å; C38-C41 VanDerWaalsContact SG-N 3.44Å; C41-I43 HydrophobicContact CB-CD1 4.23Å; C41-I43 HydrophobicContact CB-CG1 3.89Å; C41-H53 PolarHBondContact SG-CE1 3.04Å; C41-H56 VanDerWaalsContact SG-CE1 3.54Å
42Q95.6Very high95.8Very high17 Ų1749.8 Ų49.88%0.07928%0.284CS..THydrogen-bonded Turntrans59.840.9-177.9-59.2-79-6800113.2F37 C38 E39 L73 Q140F37-Q42 HydrophobicContact CZ-CB 4.37Å; C38-Q42 VanDerWaalsContact O-CA 3.22Å; C38-Q42 WeakPolarHBondContact O-CA 3.34Å; C38-Q42 PolarHBondContact O-N 3.38Å; E39-Q42 PolarHBondContact O-NE2 3.36Å; Q42-L73 HydrophobicContact CB-CD2 4.3Å; Q42-Q140 PolarHBondContact O-NE2 2.8Å; Q42-Q140 VanDerWaalsContact O-NE2 3.08Å
43I96.4Very high96Very high22 Ų2244.9 Ų44.911%0.11326%0.263CS..EExtended strand (participates in β ladder)trans-130.8147.2-178.564.7172.8000112.8F37 C38 C41 L45 Q140F37-I43 VanDerWaalsContact CD2-C 3.49Å; F37-I43 VanDerWaalsContact CD2-O 3.29Å; F37-I43 WeakPolarHBondContact CD2-O 3.22Å; C38-I43 HydrophobicContact CB-CG1 4.31Å; C38-I43 PolarHBondContact N-O 3.19Å; C38-I43 PolarHBondContact O-N 3.39Å; C41-I43 HydrophobicContact CB-CD1 4.23Å; C41-I43 HydrophobicContact CB-CG1 3.89Å; I43-L45 HydrophobicContact CD1-CD2 3.82Å; I43-L45 HydrophobicContact CG1-CD2 3.82Å; I43-Q140 VanDerWaalsContact CA-OE1 3.25Å
44L97.2Very high96.1Very high8 Ų844 Ų444%0.04227%0.268CS..EExtended strand (participates in β ladder)trans-69.5130.6163.1-63.4175.2000109.3R23 F24 F27 F37 V61 L66 Q140 F141R23-L44 PolarHBondContact NH2-O 3.13Å; F24-L44 HydrophobicContact CD2-CD1 4.08Å; F27-L44 HydrophobicContact CD1-CD1 4.2Å; F27-L44 HydrophobicContact CD1-CD2 4.27Å; F27-L44 HydrophobicContact CD2-CB 3.91Å; F27-L44 HydrophobicContact CE1-CD2 3.81Å; F27-L44 HydrophobicContact CE2-CB 3.99Å; F27-L44 HydrophobicContact CE2-CD2 4.1Å; F27-L44 HydrophobicContact CG-CB 4.26Å; F27-L44 HydrophobicContact CG-CD1 4.33Å; F27-L44 HydrophobicContact CZ-CB 4.43Å; F27-L44 HydrophobicContact CZ-CD2 3.69Å; F37-L44 HydrophobicContact CB-CD2 4.43Å; F37-L44 HydrophobicContact CD2-CD2 4.03Å; L44-V61 HydrophobicContact CD2-CG2 4.43Å; L44-L66 HydrophobicContact CD1-CD2 4.12Å; L44-L66 HydrophobicContact CD2-CD2 3.86Å; L44-Q140 HydrophobicContact CD1-CG 4.22Å; L44-Q140 WeakPolarHBondContact CD1-O 3.5Å; L44-Q140 HydrophobicContact CG-CG 4.36Å; L44-F141 HydrophobicContact CD1-CD1 4.02Å; L44-F141 HydrophobicContact CD1-CE1 3.79Å; L44-F141 HydrophobicContact CD1-CZ 4.37Å; L44-F141 HydrophobicContact CD2-CE1 3.86Å; L44-F141 HydrophobicContact CD2-CZ 4.29Å; L44-F141 HydrophobicContact CG-CE1 3.93Å; L44-F141 HydrophobicContact CG-CZ 4.16Å
45L97.1Very high96.2Very high1 Ų145.1 Ų45.11%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-101.3131.2-178.2-60179.8000111F27 K36 C38 I43 E49 H53 T58F27-L45 VanDerWaalsContact CD2-O 3.26Å; F27-L45 WeakPolarHBondContact CD2-O 3.27Å; F27-L45 WeakPolarHBondContact CE2-O 3.06Å; K36-L45 HydrophobicContact CB-CB 4.42Å; K36-L45 HydrophobicContact CB-CD1 4.35Å; K36-L45 PolarHBondContact O-N 3.22Å; C38-L45 HydrophobicContact CB-CD1 3.99Å; C38-L45 HydrophobicContact CB-CD2 4.09Å; C38-L45 HydrophobicContact CB-CG 4.07Å; I43-L45 HydrophobicContact CD1-CD2 3.82Å; I43-L45 HydrophobicContact CG1-CD2 3.82Å; L45-E49 HydrophobicContact CD2-CB 4.18Å; L45-H53 HydrophobicContact CD1-CB 3.75Å; L45-H53 HydrophobicContact CD2-CB 4.42Å; L45-T58 HydrophobicContact CD1-CG2 3.96Å
46L96.9Very high96.3Very high18 Ų1847 Ų479%0.09430%0.298CS..PPolyproline II helixtrans-82159.1163.5-63.7176.5000110R23 Q26 F27 L30 A48 E49 H50R23-L46 HydrophobicContact CG-CD1 4.16Å; Q26-L46 HydrophobicContact CB-CD2 4.04Å; Q26-L46 HydrophobicContact CG-CD2 3.82Å; Q26-L46 VanDerWaalsContact OE1-CD1 3.23Å; F27-L46 HydrophobicContact CB-CD2 4.22Å; L30-L46 HydrophobicContact CD1-CD2 4.41Å; L46-A48 PolarHBondContact O-N 3.49Å; L46-A48 VanDerWaalsContact O-N 3.1Å; L46-E49 PolarHBondContact N-OE2 2.75Å; L46-E49 WeakPolarHBondContact O-CB 3.38Å; L46-E49 PolarHBondContact O-N 3.03Å; L46-H50 PolarHBondContact O-CD2 3.19Å
47P96.5Very high96.2Very high47 Ų4751.4 Ų51.431%0.30531%0.313SS..G310 helixtrans-54.5-37.2-174.5-29.736.8000114.4L30 E34 E49 H50L30-P47 HydrophobicContact CD1-CG 4.08Å; L30-P47 HydrophobicContact CD2-CG 3.85Å; E34-P47 HydrophobicContact CB-CG 4.49Å; E34-P47 WeakPolarHBondContact OE2-CG 3.04Å; P47-E49 PolarHBondContact O-N 3.22Å; P47-H50 WeakPolarHBondContact O-CB 3.45Å; P47-H50 PolarHBondContact O-N 3.26Å
48A95.9Very high96.2Very high91 Ų9154.3 Ų54.375%0.75233%0.331SS*.G310 helixtrans-64.5-19.5177.700000113.9L46L46-A48 PolarHBondContact O-N 3.49Å; L46-A48 VanDerWaalsContact O-N 3.1Å
49E95.9Very high96.1Very high29 Ų2956.5 Ų56.514%0.13635%0.345CS..G310 helixtrans-94.7-8.4-177.1-58.3172.5133.600112.3R23 L45 L46 P47 S51 A52 H53R23-E49 IonicContact CZ-OE1 3.54Å; R23-E49 IonicContact CZ-OE2 2.64Å; R23-E49 IonicContact NH1-OE1 3.38Å; R23-E49 PolarHBondContact NH1-OE1 3.33Å; R23-E49 IonicContact NH1-OE2 2.71Å; R23-E49 PolarHBondContact NH1-OE2 2.74Å; R23-E49 IonicContact NH2-OE1 2.76Å; R23-E49 PolarHBondContact NH2-OE1 2.86Å; R23-E49 IonicContact NH2-OE2 3.97Å; R23-E49 PolarHBondContact NH2-OE2 3.15Å; L45-E49 HydrophobicContact CD2-CB 4.18Å; L46-E49 PolarHBondContact N-OE2 2.75Å; L46-E49 WeakPolarHBondContact O-CB 3.38Å; L46-E49 PolarHBondContact O-N 3.03Å; P47-E49 PolarHBondContact O-N 3.22Å; E49-S51 VanDerWaalsContact C-N 3.35Å; E49-S51 PolarHBondContact O-N 3.06Å; E49-A52 PolarHBondContact O-N 2.79Å; E49-H53 PolarHBondContact O-CD2 3.16Å; E49-H53 VanDerWaalsContact O-CD2 3.27Å; E49-H53 PolarHBondContact O-N 2.68Å
50H95.8Very high96.1Very high42 Ų4256.5 Ų56.519%0.19435%0.348CS..THydrogen-bonded Turntrans-61.3-40.4-176.1-69.5172.7000113E34 L46 P47 H53 S54E34-H50 PolarHBondContact O-CE1 3.47Å; E34-H50 PolarHBondContact O-NE2 2.92Å; L46-H50 PolarHBondContact O-CD2 3.19Å; P47-H50 WeakPolarHBondContact O-CB 3.45Å; P47-H50 PolarHBondContact O-N 3.26Å; H50-H53 CarbonylContact O-C 3.45Å; H50-H53 PolarHBondContact O-N 3.5Å; H50-S54 PolarHBondContact O-N 3.42Å; H50-S54 VanDerWaalsContact O-N 3.13Å
51S95.9Very high96.1Very high92 Ų9252.6 Ų52.664%0.64333%0.328SS*.THydrogen-bonded Turntrans-64.8-43.5-179.557.10000111.8E49 H53 S54E49-S51 VanDerWaalsContact C-N 3.35Å; E49-S51 PolarHBondContact O-N 3.06Å; S51-H53 PolarHBondContact O-N 2.65Å; S51-S54 VanDerWaalsContact O-CB 3.28Å; S51-S54 WeakPolarHBondContact O-CB 3.39Å; S51-S54 PolarHBondContact O-N 2.83Å; S51-S54 VanDerWaalsContact O-N 3.16Å; S51-S54 PolarHBondContact O-OG 3.37Å
52A96.3Very high96.1Very high77 Ų7752.5 Ų52.564%0.63633%0.325SS*.THydrogen-bonded Turntrans-65.7-20177.300000113.3E49E49-A52 PolarHBondContact O-N 2.79Å
53H96.4Very high95.8Very high12 Ų1254.8 Ų54.86%0.05635%0.347CS..THydrogen-bonded Turntrans-108.414.8177.4-71.4-110.6000113.1C38 C41 L45 E49 H50 S51 A55 H56C38-H53 PolarHBondContact SG-ND1 2.72Å; C41-H53 PolarHBondContact SG-CE1 3.04Å; L45-H53 HydrophobicContact CD1-CB 3.75Å; L45-H53 HydrophobicContact CD2-CB 4.42Å; E49-H53 PolarHBondContact O-CD2 3.16Å; E49-H53 VanDerWaalsContact O-CD2 3.27Å; E49-H53 PolarHBondContact O-N 2.68Å; H50-H53 CarbonylContact O-C 3.45Å; H50-H53 PolarHBondContact O-N 3.5Å; S51-H53 PolarHBondContact O-N 2.65Å; H53-A55 VanDerWaalsContact C-N 3.27Å; H53-A55 PolarHBondContact O-N 3.02Å; H53-H56 HydrophobicContact CB-CB 4.37Å; H53-H56 AromaticContact CE1-ND1 3.81Å; H53-H56 AromaticContact CG-ND1 3.6Å; H53-H56 AromaticContact ND1-CE1 3.94Å; H53-H56 AromaticContact ND1-ND1 3.1Å; H53-H56 PolarHBondContact ND1-ND1 3.03Å; H53-H56 VanDerWaalsContact ND1-ND1 3.1Å; H53-H56 WeakPolarHBondContact O-CB 3.31Å; H53-H56 PolarHBondContact O-N 3.38Å
54S94.4Very high95.6Very high103 Ų10356.5 Ų56.572%0.7236%0.364SS*.THydrogen-bonded Turntrans-61.5-32.3-178.154.30000113.9H50 S51 H56H50-S54 PolarHBondContact O-N 3.42Å; H50-S54 VanDerWaalsContact O-N 3.13Å; S51-S54 VanDerWaalsContact O-CB 3.28Å; S51-S54 WeakPolarHBondContact O-CB 3.39Å; S51-S54 PolarHBondContact O-N 2.83Å; S51-S54 VanDerWaalsContact O-N 3.16Å; S51-S54 PolarHBondContact O-OG 3.37Å; S54-H56 VanDerWaalsContact C-N 3.34Å
55A96.6Very high95.5Very high96 Ų9658.6 Ų58.679%0.79337%0.374SS*.THydrogen-bonded Turntrans-84.8-6.4175.500000113.7H53H53-A55 VanDerWaalsContact C-N 3.27Å; H53-A55 PolarHBondContact O-N 3.02Å
56H97.4Very high95.3Very high71 Ų7159.2 Ų59.233%0.32938%0.377SS..SBendtrans-92.2157.6-179.5-62.6159000111.5C38 D40 C41 H53 S54 T58C38-H56 VanDerWaalsContact SG-CB 3.53Å; D40-H56 HydrophobicContact CB-CB 4.28Å; D40-H56 VanDerWaalsContact OD2-CA 3.26Å; D40-H56 WeakPolarHBondContact OD2-CA 3.38Å; D40-H56 WeakPolarHBondContact OD2-CB 3.48Å; D40-H56 IonicContact OD2-CD2 3.95Å; D40-H56 IonicContact OD2-CG 3.9Å; C41-H56 VanDerWaalsContact SG-CE1 3.54Å; H53-H56 HydrophobicContact CB-CB 4.37Å; H53-H56 AromaticContact CE1-ND1 3.81Å; H53-H56 AromaticContact CG-ND1 3.6Å; H53-H56 AromaticContact ND1-CE1 3.94Å; H53-H56 AromaticContact ND1-ND1 3.1Å; H53-H56 PolarHBondContact ND1-ND1 3.03Å; H53-H56 VanDerWaalsContact ND1-ND1 3.1Å; H53-H56 WeakPolarHBondContact O-CB 3.31Å; H53-H56 PolarHBondContact O-N 3.38Å; S54-H56 VanDerWaalsContact C-N 3.34Å; H56-T58 PolarHBondContact O-N 3.03Å
57R96.6Very high95.1Very high160 Ų16064.8 Ų64.860%0.60440%0.397SS*.  trans-67.5122.8167.5-70.5169.252.9173.5-0.3109.8E39 D40E39-R57 HydrophobicContact CB-CB 4.06Å; E39-R57 PolarHBondContact N-O 3.49Å; E39-R57 IonicContact OE2-CZ 3.18Å; E39-R57 IonicContact OE2-NE 2.99Å; E39-R57 PolarHBondContact OE2-NE 2.87Å; E39-R57 IonicContact OE2-NH2 2.66Å; E39-R57 PolarHBondContact OE2-NH2 3.4Å; D40-R57 PolarHBondContact OD2-N 3.1Å
58T96.2Very high95Very high62 Ų6265.3 Ų65.338%0.3839%0.393SS..EExtended strand (participates in β ladder)trans-130.5147.4177.659.30000110.8F37 C38 L45 H56F37-T58 CarbonylContact O-C 3.6Å; F37-T58 VanDerWaalsContact O-CA 3.24Å; F37-T58 WeakPolarHBondContact O-CA 3.29Å; C38-T58 HydrophobicContact CB-CG2 4.34Å; L45-T58 HydrophobicContact CD1-CG2 3.96Å; H56-T58 PolarHBondContact O-N 3.03Å
59T95.3Very high95.1Very high46 Ų4661 Ų6128%0.28236%0.357SS..EExtended strand (participates in β ladder)trans-132.4147.3176.8-169.30000110.4K36 F37 E39K36-T59 CarbonylContact C-O 3.49Å; K36-T59 WeakPolarHBondContact CA-O 3.45Å; F37-T59 HydrophobicContact CB-CG2 4.2Å; F37-T59 HydrophobicContact CD1-CG2 4.23Å; F37-T59 PolarHBondContact N-O 3.38Å; F37-T59 PolarHBondContact O-N 3.23Å; E39-T59 HydrophobicContact CG-CG2 4.42Å
60T95.6Very high95Very high56 Ų5659.9 Ų59.934%0.34435%0.353SS..EExtended strand (participates in β ladder)trans-74.4141.8173.549.50000110.6K35K35-T60 CarbonylContact O-C 3.48Å; K35-T60 WeakPolarHBondContact O-CA 3.33Å
61V95.8Very high94.9Very high0 Ų062.1 Ų62.10%037%0.365CS..  trans-112.2121.8-173.6-164.60000111F27 K35 F37 L44 Q65 L66 L72F27-V61 HydrophobicContact CE1-CB 4.33Å; F27-V61 HydrophobicContact CZ-CB 4.22Å; F27-V61 HydrophobicContact CZ-CG2 4.06Å; K35-V61 HydrophobicContact CB-CB 4.4Å; K35-V61 PolarHBondContact O-N 2.96Å; F37-V61 HydrophobicContact CB-CG2 3.43Å; F37-V61 VanDerWaalsContact CB-CG2 3.43Å; L44-V61 HydrophobicContact CD2-CG2 4.43Å; V61-Q65 HydrophobicContact CG1-CB 3.87Å; V61-L66 HydrophobicContact CG1-CD2 3.74Å; V61-L66 HydrophobicContact CG1-CG 3.68Å; V61-L72 HydrophobicContact CG1-CD1 3.79Å; V61-L72 HydrophobicContact CG1-CD2 4.33Å
62T93.9Very high94.8Very high52 Ų5258.6 Ų58.632%0.31934%0.339SS..  trans-80159.5171.8640000111.8F32 A64 Q65 L66F32-T62 HydrophobicContact CE2-CG2 3.87Å; F32-T62 HydrophobicContact CZ-CG2 4.48Å; T62-A64 PolarHBondContact O-N 2.89Å; T62-Q65 PolarHBondContact O-N 3.48Å; T62-Q65 VanDerWaalsContact O-N 3.14Å; T62-Q65 WeakPolarHBondContact OG1-CB 3.46Å; T62-Q65 WeakPolarHBondContact OG1-CG 3.11Å; T62-Q65 PolarHBondContact OG1-N 3.27Å; T62-Q65 VanDerWaalsContact OG1-N 3.15Å; T62-Q65 PolarHBondContact OG1-OE1 3.02Å; T62-L66 PolarHBondContact O-N 3.38Å
63A90.4Very high94.8Very high66 Ų6655.1 Ų55.155%0.54531%0.31SS..Hα-helixtrans-60.8-28.2172.800000113.1R67A63-R67 PolarHBondContact O-NE 3.3Å
64A91.8Very high94.6Very high57 Ų5762.8 Ų62.847%0.47134%0.338SS..Hα-helixtrans-70.1-42.2174.500000111.7T62 R67 R68T62-A64 PolarHBondContact O-N 2.89Å; A64-R67 PolarHBondContact O-N 3.08Å; A64-R68 PolarHBondContact O-N 2.89Å
65Q93.8Very high94.4Very high53 Ų5359.6 Ų59.625%0.24832%0.315CS..Hα-helixtrans-66.1-38.2176.7-76.7163-45.300112.6V61 T62 R67 R68 I71 L72V61-Q65 HydrophobicContact CG1-CB 3.87Å; T62-Q65 PolarHBondContact O-N 3.48Å; T62-Q65 VanDerWaalsContact O-N 3.14Å; T62-Q65 WeakPolarHBondContact OG1-CB 3.46Å; T62-Q65 WeakPolarHBondContact OG1-CG 3.11Å; T62-Q65 PolarHBondContact OG1-N 3.27Å; T62-Q65 VanDerWaalsContact OG1-N 3.15Å; T62-Q65 PolarHBondContact OG1-OE1 3.02Å; Q65-R67 PolarHBondContact O-N 3.5Å; Q65-R68 CarbonylContact O-C 3.59Å; Q65-R68 VanDerWaalsContact O-C 3.29Å; Q65-R68 PolarHBondContact O-N 3.11Å; Q65-I71 HydrophobicContact CB-CD1 4.25Å; Q65-I71 HydrophobicContact CG-CD1 3.6Å; Q65-I71 HydrophobicContact CG-CG1 4.45Å; Q65-L72 HydrophobicContact CB-CD1 4.16Å; Q65-L72 HydrophobicContact CB-CD2 4.03Å; Q65-L72 HydrophobicContact CB-CG 4.17Å; Q65-L72 HydrophobicContact CG-CD2 4.35Å
66L92.9Very high94Very high14 Ų1457.5 Ų57.57%0.07329%0.29CS..Hα-helixtrans-59.5-32.8175.5-76.7176.4000113.1F24 F27 L44 V61 T62 R68 F141F24-L66 HydrophobicContact CE2-CD2 4.31Å; F27-L66 HydrophobicContact CD1-CD1 4.08Å; F27-L66 HydrophobicContact CD1-CD2 4.04Å; F27-L66 HydrophobicContact CE1-CD1 3.95Å; F27-L66 HydrophobicContact CE1-CD2 3.72Å; F27-L66 HydrophobicContact CE1-CG 4.29Å; L44-L66 HydrophobicContact CD1-CD2 4.12Å; L44-L66 HydrophobicContact CD2-CD2 3.86Å; V61-L66 HydrophobicContact CG1-CD2 3.74Å; V61-L66 HydrophobicContact CG1-CG 3.68Å; T62-L66 PolarHBondContact O-N 3.38Å; L66-R68 VanDerWaalsContact C-N 3.28Å; L66-R68 PolarHBondContact O-N 2.83Å; L66-F141 HydrophobicContact CD2-CD1 4.32Å; L66-F141 HydrophobicContact CD2-CE1 4.23Å
67R93.1Very high93.2Very high135 Ų13558.6 Ų58.651%0.50930%0.299SS..THydrogen-bonded Turntrans-82.3-3177.1-66.5-174.6-71.7172.3-2.6113.7A63 A64 Q65 L121A63-R67 PolarHBondContact O-NE 3.3Å; A64-R67 PolarHBondContact O-N 3.08Å; Q65-R67 PolarHBondContact O-N 3.5Å; R67-L121 HydrophobicContact CB-CD2 3.7Å; R67-L121 HydrophobicContact CB-CG 4.49Å; R67-L121 HydrophobicContact CG-CD2 4.42Å
68R95.6Very high92.5Very high57 Ų5755.3 Ų55.322%0.21529%0.293CS..  trans-130.769.4175.9-64.4-167.272.9174.75.4111A64 Q65 L66 S70 I71 D89 E117 L121A64-R68 PolarHBondContact O-N 2.89Å; Q65-R68 CarbonylContact O-C 3.59Å; Q65-R68 VanDerWaalsContact O-C 3.29Å; Q65-R68 PolarHBondContact O-N 3.11Å; L66-R68 VanDerWaalsContact C-N 3.28Å; L66-R68 PolarHBondContact O-N 2.83Å; R68-S70 PolarHBondContact O-N 3.12Å; R68-I71 HydrophobicContact CB-CD1 4.31Å; R68-I71 HydrophobicContact CB-CG1 3.91Å; R68-I71 HydrophobicContact CB-CG2 4.46Å; R68-I71 WeakPolarHBondContact O-CG1 3.48Å; R68-I71 PolarHBondContact O-N 3.35Å; R68-D89 IonicContact CZ-OD1 3.43Å; R68-D89 IonicContact NH1-OD1 2.85Å; R68-D89 IonicContact NH2-OD1 3.32Å; R68-D89 PolarHBondContact NH2-OD1 3.06Å; R68-D89 IonicContact NH2-OD2 3.77Å; R68-E117 WeakPolarHBondContact CA-OE2 3.35Å; R68-L121 HydrophobicContact CG-CD1 3.74Å
69P96.4Very high91.7Very high1 Ų158 Ų581%0.00630%0.3CS..Hα-helixtrans-56.5-28.2-175.5-27.438.1000114.3I71 L72 L73 E117 Y138 F141 Y142P69-I71 PolarHBondContact O-N 3.45Å; P69-I71 VanDerWaalsContact O-N 3.16Å; P69-L72 PolarHBondContact O-N 2.97Å; P69-L73 HydrophobicContact CB-CD1 4.27Å; P69-L73 WeakPolarHBondContact O-CB 3.25Å; P69-L73 PolarHBondContact O-N 3.26Å; P69-E117 WeakPolarHBondContact CD-OE1 3.36Å; P69-Y138 HydrophobicContact CB-CD1 3.83Å; P69-Y138 HydrophobicContact CB-CE1 3.79Å; P69-Y138 HydrophobicContact CG-CD1 4.43Å; P69-F141 HydrophobicContact CB-CB 4.15Å; P69-F141 HydrophobicContact CB-CD1 4.07Å; P69-F141 HydrophobicContact CB-CD2 3.6Å; P69-F141 HydrophobicContact CB-CE1 4.34Å; P69-F141 HydrophobicContact CB-CE2 3.92Å; P69-F141 HydrophobicContact CB-CG 3.69Å; P69-F141 HydrophobicContact CB-CZ 4.28Å; P69-F141 HydrophobicContact CG-CB 3.41Å; P69-F141 VanDerWaalsContact CG-CB 3.41Å; P69-F141 HydrophobicContact CG-CD1 3.77Å; P69-F141 HydrophobicContact CG-CD2 3.86Å; P69-F141 HydrophobicContact CG-CE1 4.47Å; P69-F141 HydrophobicContact CG-CG 3.42Å; P69-F141 VanDerWaalsContact CG-CG 3.42Å; P69-Y142 HydrophobicContact CG-CE2 4.5Å
70S94.8Very high90.8Very high6 Ų665.3 Ų65.34%0.04233%0.327CS..Hα-helixtrans-64.1-14.1177.273.90000115.1R68 R114 E117R68-S70 PolarHBondContact O-N 3.12Å; S70-R114 VanDerWaalsContact OG-CG 3.31Å; S70-R114 WeakPolarHBondContact OG-CG 3.22Å; S70-R114 PolarHBondContact OG-NE 2.71Å; S70-E117 WeakPolarHBondContact CA-OE1 3.21Å; S70-E117 WeakPolarHBondContact CB-OE1 3.21Å; S70-E117 PolarHBondContact N-OE1 2.68Å; S70-E117 VanDerWaalsContact OG-CD 3.3Å; S70-E117 PolarHBondContact OG-OE1 3.42Å; S70-E117 PolarHBondContact OG-OE2 2.87Å
71I92.7Very high90Very high88 Ų8865.9 Ų65.945%0.45133%0.334SS..Hα-helixtrans-92.5-17.3171.667.5158.7000113.1Q65 R68 P69Q65-I71 HydrophobicContact CB-CD1 4.25Å; Q65-I71 HydrophobicContact CG-CD1 3.6Å; Q65-I71 HydrophobicContact CG-CG1 4.45Å; R68-I71 HydrophobicContact CB-CD1 4.31Å; R68-I71 HydrophobicContact CB-CG1 3.91Å; R68-I71 HydrophobicContact CB-CG2 4.46Å; R68-I71 WeakPolarHBondContact O-CG1 3.48Å; R68-I71 PolarHBondContact O-N 3.35Å; P69-I71 PolarHBondContact O-N 3.45Å; P69-I71 VanDerWaalsContact O-N 3.16Å
72L94.2Very high89.2Confident19 Ų1968.2 Ų68.210%0.09935%0.346CS..Hα-helixtrans-93-46.7175.8-67.8173.7000111.2F37 V61 Q65 P69 R74 F141F37-L72 HydrophobicContact CE1-CB 4.38Å; F37-L72 WeakPolarHBondContact CE1-O 3.44Å; F37-L72 HydrophobicContact CZ-CB 4.38Å; V61-L72 HydrophobicContact CG1-CD1 3.79Å; V61-L72 HydrophobicContact CG1-CD2 4.33Å; Q65-L72 HydrophobicContact CB-CD1 4.16Å; Q65-L72 HydrophobicContact CB-CD2 4.03Å; Q65-L72 HydrophobicContact CB-CG 4.17Å; Q65-L72 HydrophobicContact CG-CD2 4.35Å; P69-L72 PolarHBondContact O-N 2.97Å; L72-R74 PolarHBondContact O-N 3.22Å; L72-F141 HydrophobicContact CD1-CE1 3.84Å; L72-F141 HydrophobicContact CD1-CZ 4.24Å
73L95.8Very high88.8Confident3 Ų366.1 Ų66.12%0.01633%0.334CS..SBendtrans-74.3124.9-179.9-65.5174.9000110F37 Q42 P69 R137 Y138 F141F37-L73 HydrophobicContact CE2-CD2 4.27Å; F37-L73 HydrophobicContact CZ-CD2 4.1Å; Q42-L73 HydrophobicContact CB-CD2 4.3Å; P69-L73 HydrophobicContact CB-CD1 4.27Å; P69-L73 WeakPolarHBondContact O-CB 3.25Å; P69-L73 PolarHBondContact O-N 3.26Å; L73-R137 HydrophobicContact CD1-CB 4.01Å; L73-R137 HydrophobicContact CD2-CB 3.86Å; L73-Y138 HydrophobicContact CD1-CD1 4Å; L73-Y138 HydrophobicContact CD1-CD2 4.11Å; L73-Y138 HydrophobicContact CD1-CE1 3.92Å; L73-Y138 HydrophobicContact CD1-CE2 3.97Å; L73-Y138 HydrophobicContact CD1-CG 4.12Å; L73-F141 HydrophobicContact CD1-CD2 4.42Å; L73-F141 HydrophobicContact CD1-CE2 3.89Å; L73-F141 HydrophobicContact CD2-CE2 4.08Å; L73-F141 HydrophobicContact CG-CE2 3.98Å; L73-F141 HydrophobicContact CG-CZ 4.47Å
74R93.1Very high88.6Confident174 Ų17463.8 Ų63.866%0.65731%0.312SS*.PPolyproline II helixtrans-64130.3169.4-174.1177.666.8-163.8-3.5108.8L72 L76 R137L72-R74 PolarHBondContact O-N 3.22Å; R74-L76 PolarHBondContact O-N 3.08Å; R74-R137 PolarHBondContact O-NH1 3.11Å; R74-R137 PolarHBondContact O-NH2 3.22Å
75P90.8Very high88.5Confident35 Ų3562.1 Ų62.123%0.22729%0.293CS..PPolyproline II helixtrans-60.4137.4177.9-24.333.4000112.4D77 L86 N250P75-D77 VanDerWaalsContact C-N 3.3Å; P75-D77 PolarHBondContact O-N 3.42Å; P75-D77 VanDerWaalsContact O-N 3.15Å; P75-L86 HydrophobicContact CB-CD1 4.49Å; P75-L86 HydrophobicContact CG-CD1 3.8Å; P75-N250 WeakPolarHBondContact CB-ND2 3.49Å
76L88.3Confident88.5Confident52 Ų5259.9 Ų59.927%0.27228%0.283SS..  trans-85.173.8169.8-59.9175.3000109.6R74 N78 N82 A83 Q84R74-L76 PolarHBondContact O-N 3.08Å; L76-N78 VanDerWaalsContact C-N 3.26Å; L76-N78 PolarHBondContact O-N 3.22Å; L76-N82 HydrophobicContact CB-CB 3.59Å; L76-N82 HydrophobicContact CD1-CB 4.39Å; L76-N82 WeakPolarHBondContact O-CB 3.26Å; L76-A83 PolarHBondContact O-N 3Å; L76-Q84 HydrophobicContact CB-CB 4.39Å; L76-Q84 WeakPolarHBondContact O-CB 3.23Å; L76-Q84 PolarHBondContact O-N 3.06Å
77D80.1Confident88.7Confident95 Ų9559.4 Ų59.451%0.50828%0.28SS..  trans-80.13-170.268.7-8.4000115.2P75 K79P75-D77 VanDerWaalsContact C-N 3.3Å; P75-D77 PolarHBondContact O-N 3.42Å; P75-D77 VanDerWaalsContact O-N 3.15Å; D77-K79 PolarHBondContact O-N 3.04Å
78N82.3Confident88.7Confident91 Ų9154 Ų5449%0.48726%0.262SS..  trans-62111.9177.3-175-22000110.6L76 K80 S81 N82 A83L76-N78 VanDerWaalsContact C-N 3.26Å; L76-N78 PolarHBondContact O-N 3.22Å; N78-K80 PolarHBondContact O-N 2.91Å; N78-K80 PolarHBondContact OD1-N 3.32Å; N78-S81 PolarHBondContact O-N 3.39Å; N78-S81 VanDerWaalsContact O-N 3.11Å; N78-N82 PolarHBondContact O-N 3.03Å; N78-A83 WeakPolarHBondContact O-CA 3.41Å; N78-A83 PolarHBondContact O-N 3.46Å
79K78.4Confident88.6Confident119 Ų11954.7 Ų54.752%0.51727%0.27SS..THydrogen-bonded Turntrans-60.7-19.3-175-43.5-159.2171177.40114.7D77 Y85D77-K79 PolarHBondContact O-N 3.04Å; K79-Y85 WeakPolarHBondContact CD-OH 3.44Å; K79-Y85 WeakPolarHBondContact CE-OH 3.47Å; K79-Y85 VanDerWaalsContact CG-OH 3.25Å; K79-Y85 WeakPolarHBondContact CG-OH 3.37Å
80K77.9Confident88.5Confident199 Ų19959 Ų5987%0.86529%0.287SS*.THydrogen-bonded Turntrans-92.6-13.8-178.3-64.9-176.1179.11790113.5N78N78-K80 PolarHBondContact O-N 2.91Å; N78-K80 PolarHBondContact OD1-N 3.32Å
81S78.7Confident88.5Confident68 Ų6858.7 Ų58.748%0.47629%0.285SS..THydrogen-bonded Turntrans-119.8-93.6179.361.70000110.7N78N78-S81 PolarHBondContact O-N 3.39Å; N78-S81 VanDerWaalsContact O-N 3.11Å
82N79.4Confident88.7Confident48 Ų4854.5 Ų54.526%0.25726%0.263SS..THydrogen-bonded Turntrans-81.8-35.4-170.5-58.376.2000111.5L76 N78 Q84L76-N82 HydrophobicContact CB-CB 3.59Å; L76-N82 HydrophobicContact CD1-CB 4.39Å; L76-N82 WeakPolarHBondContact O-CB 3.26Å; N78-N82 PolarHBondContact O-N 3.03Å; N82-Q84 PolarHBondContact O-N 3.39Å; N82-Q84 VanDerWaalsContact O-N 3.13Å
83A84.2Confident88.8Confident8 Ų857.4 Ų57.47%0.06628%0.276CS..  trans44.743.4-176.600000112.6L76 N78 Y85 P186L76-A83 PolarHBondContact O-N 3Å; N78-A83 WeakPolarHBondContact O-CA 3.41Å; N78-A83 PolarHBondContact O-N 3.46Å; A83-Y85 HydrophobicContact CB-CE2 3.88Å; A83-Y85 WeakPolarHBondContact O-CD2 3.45Å; A83-Y85 WeakPolarHBondContact O-CE2 3.22Å; A83-Y85 PolarHBondContact O-N 2.96Å; A83-P186 HydrophobicContact CB-CB 4.01Å
84Q86.9Confident88.9Confident17 Ų1758.3 Ų58.38%0.07928%0.28CS..  trans-7399.2-174-172.917656.100109.7L76 N82 L86 D135 N250L76-Q84 HydrophobicContact CB-CB 4.39Å; L76-Q84 WeakPolarHBondContact O-CB 3.23Å; L76-Q84 PolarHBondContact O-N 3.06Å; N82-Q84 PolarHBondContact O-N 3.39Å; N82-Q84 VanDerWaalsContact O-N 3.13Å; Q84-L86 HydrophobicContact CG-CD2 4.12Å; Q84-D135 PolarHBondContact NE2-OD2 3.14Å; Q84-N250 PolarHBondContact O-ND2 3.35Å
85Y90.1Very high89.1Confident22 Ų2250 Ų509%0.08625%0.249CC..  trans-104.3129.3173.3-53.8-61.4000109.1K79 A83 F187 Y248 N250 H251K79-Y85 WeakPolarHBondContact CD-OH 3.44Å; K79-Y85 WeakPolarHBondContact CE-OH 3.47Å; K79-Y85 VanDerWaalsContact CG-OH 3.25Å; K79-Y85 WeakPolarHBondContact CG-OH 3.37Å; A83-Y85 HydrophobicContact CB-CE2 3.88Å; A83-Y85 WeakPolarHBondContact O-CD2 3.45Å; A83-Y85 WeakPolarHBondContact O-CE2 3.22Å; A83-Y85 PolarHBondContact O-N 2.96Å; Y85-F187 AromaticContact CD2-CD2 3.77Å; Y85-F187 HydrophobicContact CD2-CD2 3.77Å; Y85-F187 AromaticContact CD2-CE2 3.44Å; Y85-F187 HydrophobicContact CD2-CE2 3.44Å; Y85-F187 VanDerWaalsContact CD2-CE2 3.44Å; Y85-F187 HydrophobicContact CD2-CZ 4.47Å; Y85-F187 AromaticContact CE2-CD2 3.73Å; Y85-F187 HydrophobicContact CE2-CD2 3.73Å; Y85-F187 AromaticContact CE2-CE2 3.89Å; Y85-F187 HydrophobicContact CE2-CE2 3.89Å; Y85-F187 HydrophobicContact CG-CE2 4.38Å; Y85-Y248 VanDerWaalsContact CB-CD1 3.43Å; Y85-N250 VanDerWaalsContact CA-OD1 3.31Å; Y85-N250 WeakPolarHBondContact CA-OD1 3.5Å; Y85-H251 HydrophobicContact CD1-CB 4.02Å; Y85-H251 AromaticContact CD1-CD2 3.67Å; Y85-H251 AromaticContact CD2-CD2 3.93Å; Y85-H251 HydrophobicContact CE1-CB 4.44Å; Y85-H251 AromaticContact CE1-CD2 3.4Å; Y85-H251 WeakPolarHBondContact CE1-CD2 3.35Å; Y85-H251 AromaticContact CE2-CD2 3.66Å; Y85-H251 HydrophobicContact CG-CB 4.36Å; Y85-H251 AromaticContact CG-CD2 3.92Å; Y85-H251 AromaticContact CZ-CD2 3.37Å; Y85-H251 AromaticContact CZ-NE2 3.93Å
86L93.6Very high89.4Confident6 Ų648.8 Ų48.83%0.03124%0.24CC..PPolyproline II helixtrans-101.8127.3-174.1-60.3178.3000109.9P75 Q84 T88 P113 R114 Y248 D249 N250P75-L86 HydrophobicContact CB-CD1 4.49Å; P75-L86 HydrophobicContact CG-CD1 3.8Å; Q84-L86 HydrophobicContact CG-CD2 4.12Å; L86-T88 PolarHBondContact O-N 3.21Å; L86-P113 HydrophobicContact CD2-CG 3.95Å; L86-R114 HydrophobicContact CB-CG 4.38Å; L86-R114 VanDerWaalsContact CB-CZ 3.47Å; L86-R114 HydrophobicContact CD2-CG 4.34Å; L86-Y248 CarbonylContact O-C 3.57Å; L86-Y248 VanDerWaalsContact O-CA 3.29Å; L86-Y248 WeakPolarHBondContact O-CA 3.5Å; L86-D249 PolarHBondContact O-N 3.26Å; L86-N250 PolarHBondContact N-OD1 3.49Å
87F95.6Very high89.8Confident4 Ų451 Ų512%0.01825%0.252CS..BIsolated β-bridgetrans-55.3136.4176.9-59.7-47.8000111.9A92 L95 T112 R114 D184 I223 V246 D247 Y248F87-A92 HydrophobicContact CB-CB 3.99Å; F87-A92 HydrophobicContact CD2-CB 4.45Å; F87-L95 HydrophobicContact CD2-CD1 4.39Å; F87-L95 HydrophobicContact CE2-CD1 4.09Å; F87-L95 HydrophobicContact CZ-CD1 4.28Å; F87-T112 HydrophobicContact CE2-CG2 3.76Å; F87-T112 HydrophobicContact CZ-CG2 3.86Å; F87-R114 WeakPolarHBondContact O-CD 3.35Å; F87-R114 PolarHBondContact O-NH1 3.24Å; F87-D184 HydrophobicContact CE1-CB 4.3Å; F87-D184 WeakPolarHBondContact CE1-OD2 3.45Å; F87-D184 HydrophobicContact CZ-CB 3.76Å; F87-D184 VanDerWaalsContact CZ-OD2 3.32Å; F87-D184 WeakPolarHBondContact CZ-OD2 3.3Å; F87-I223 HydrophobicContact CE1-CD1 3.84Å; F87-I223 HydrophobicContact CE1-CG2 4.28Å; F87-I223 HydrophobicContact CE2-CD1 4.29Å; F87-I223 HydrophobicContact CZ-CD1 3.4Å; F87-V246 HydrophobicContact CD1-CG1 3.6Å; F87-V246 HydrophobicContact CE1-CG1 3.7Å; F87-D247 WeakPolarHBondContact CA-O 3.44Å; F87-Y248 HydrophobicContact CD1-CD1 4.08Å; F87-Y248 AromaticContact CD1-CE1 3.52Å; F87-Y248 HydrophobicContact CD1-CE1 3.52Å; F87-Y248 AromaticContact CD1-CZ 3.84Å; F87-Y248 AromaticContact CE1-CE1 3.59Å; F87-Y248 HydrophobicContact CE1-CE1 3.59Å; F87-Y248 AromaticContact CE1-CZ 3.67Å; F87-Y248 WeakPolarHBondContact CE1-OH 3.28Å
88T94.1Very high90.6Very high22 Ų2247.3 Ų47.314%0.13523%0.233CC..PPolyproline II helixtrans-50.615116254.80000111.1L86 R90 S91 A92 D247 D249L86-T88 PolarHBondContact O-N 3.21Å; T88-R90 PolarHBondContact O-N 3.38Å; T88-S91 PolarHBondContact O-N 2.64Å; T88-S91 VanDerWaalsContact O-N 3.08Å; T88-S91 WeakPolarHBondContact OG1-CB 3.5Å; T88-S91 PolarHBondContact OG1-N 3.24Å; T88-S91 PolarHBondContact OG1-OG 2.63Å; T88-A92 PolarHBondContact O-N 3.34Å; T88-D247 HydrophobicContact CG2-CB 3.58Å; T88-D247 PolarHBondContact N-O 3.37Å; T88-D247 WeakPolarHBondContact OG1-CB 3.5Å; T88-D247 PolarHBondContact OG1-O 3.08Å; T88-D249 WeakPolarHBondContact CG2-OD1 3.31Å
89D93.1Very high91.3Very high71 Ų7143 Ų4338%0.3821%0.21SC..Hα-helixtrans-53.9-40.4174.4-81.6-23.6000110.8R68 S91 A92 H93R68-D89 IonicContact CZ-OD1 3.43Å; R68-D89 IonicContact NH1-OD1 2.85Å; R68-D89 IonicContact NH2-OD1 3.32Å; R68-D89 PolarHBondContact NH2-OD1 3.06Å; R68-D89 IonicContact NH2-OD2 3.77Å; D89-S91 PolarHBondContact O-N 3.41Å; D89-A92 PolarHBondContact O-N 3.01Å; D89-H93 WeakPolarHBondContact O-CB 3.36Å; D89-H93 PolarHBondContact O-N 2.87Å; D89-H93 PolarHBondContact O-ND1 3.21Å
90R94.1Very high92.1Very high92 Ų9237.9 Ų37.935%0.34719%0.19SC..Hα-helixtrans-53.9-51.9175.1-170.5-176.285.3-136.6-11.9112.5T88 F94 D247 H256 E283T88-R90 PolarHBondContact O-N 3.38Å; R90-F94 WeakPolarHBondContact O-CB 3.4Å; R90-F94 PolarHBondContact O-N 3.04Å; R90-D247 IonicContact CZ-OD2 4Å; R90-D247 IonicContact NH1-OD2 2.68Å; R90-D247 VanDerWaalsContact NH2-CG 3.29Å; R90-D247 IonicContact NH2-OD1 3.97Å; R90-D247 IonicContact NH2-OD2 3.22Å; R90-D247 PolarHBondContact NH2-OD2 2.87Å; R90-H256 PolarHBondContact NH2-CE1 2.75Å; R90-H256 PolarHBondContact NH2-ND1 3.41Å; R90-E283 VanDerWaalsContact CD-OE1 3.22Å; R90-E283 WeakPolarHBondContact CD-OE1 3.19Å; R90-E283 WeakPolarHBondContact CG-OE1 3.47Å; R90-E283 IonicContact CZ-OE2 2.74Å; R90-E283 IonicContact NE-OE1 2.75Å; R90-E283 PolarHBondContact NE-OE1 2.95Å; R90-E283 IonicContact NE-OE2 3.42Å; R90-E283 PolarHBondContact NE-OE2 3.43Å; R90-E283 IonicContact NH2-OE2 3.38Å
91S96.1Very high92.9Very high0 Ų031.9 Ų31.90%019%0.185CC..Hα-helixtrans-68.8-36.6-177.5-61.90000112.7T88 D89 L95 D247T88-S91 PolarHBondContact O-N 2.64Å; T88-S91 VanDerWaalsContact O-N 3.08Å; T88-S91 WeakPolarHBondContact OG1-CB 3.5Å; T88-S91 PolarHBondContact OG1-N 3.24Å; T88-S91 PolarHBondContact OG1-OG 2.63Å; D89-S91 PolarHBondContact O-N 3.41Å; S91-L95 WeakPolarHBondContact O-CG 3.29Å; S91-L95 PolarHBondContact O-N 3.35Å; S91-L95 VanDerWaalsContact O-N 3.16Å; S91-D247 PolarHBondContact OG-N 3.37Å
92A96.6Very high93.7Very high0 Ų030.9 Ų30.90%017%0.173CC..Hα-helixtrans-71.2-40.7179.600000112.2F87 T88 D89 L95 L96 L118F87-A92 HydrophobicContact CB-CB 3.99Å; F87-A92 HydrophobicContact CD2-CB 4.45Å; T88-A92 PolarHBondContact O-N 3.34Å; D89-A92 PolarHBondContact O-N 3.01Å; A92-L95 PolarHBondContact O-N 3.18Å; A92-L96 PolarHBondContact O-N 3.49Å; A92-L118 HydrophobicContact CB-CD1 3.39Å
93H96.3Very high94.4Very high79 Ų7930.1 Ų30.137%0.36618%0.177SC..Hα-helixtrans-66-44.4173.9-73.385.7000111.4D89 L95 L96 D97D89-H93 WeakPolarHBondContact O-CB 3.36Å; D89-H93 PolarHBondContact O-N 2.87Å; D89-H93 PolarHBondContact O-ND1 3.21Å; H93-L95 VanDerWaalsContact C-N 3.27Å; H93-L95 PolarHBondContact O-N 2.64Å; H93-L96 PolarHBondContact O-N 3.02Å; H93-L96 VanDerWaalsContact O-N 3.12Å; H93-D97 WeakPolarHBondContact O-CB 3.11Å; H93-D97 VanDerWaalsContact O-CG 3.26Å; H93-D97 PolarHBondContact O-N 3.43Å
94F97.4Very high94.9Very high22 Ų2230.8 Ų30.810%0.09618%0.178CC..Hα-helixtrans-52.4-46.4173.8167-94.4000112.1R90 T98 Y244 L268 I277 L279 P280R90-F94 WeakPolarHBondContact O-CB 3.4Å; R90-F94 PolarHBondContact O-N 3.04Å; F94-T98 WeakPolarHBondContact CE2-OG1 3.41Å; F94-T98 WeakPolarHBondContact CZ-OG1 3.34Å; F94-T98 WeakPolarHBondContact O-CB 3.31Å; F94-T98 PolarHBondContact O-N 3.19Å; F94-T98 PolarHBondContact O-OG1 3.03Å; F94-Y244 HydrophobicContact CB-CE1 4.36Å; F94-Y244 HydrophobicContact CB-CE2 4.44Å; F94-Y244 WeakPolarHBondContact CB-OH 3.4Å; F94-Y244 AromaticContact CD1-CD1 3.6Å; F94-Y244 HydrophobicContact CD1-CD1 3.6Å; F94-Y244 HydrophobicContact CD1-CD2 4.19Å; F94-Y244 AromaticContact CD1-CE1 3.23Å; F94-Y244 HydrophobicContact CD1-CE1 3.23Å; F94-Y244 AromaticContact CD1-CE2 3.88Å; F94-Y244 HydrophobicContact CD1-CE2 3.88Å; F94-Y244 HydrophobicContact CD1-CG 4.06Å; F94-Y244 AromaticContact CD1-CZ 3.38Å; F94-Y244 HydrophobicContact CD2-CD2 4.4Å; F94-Y244 AromaticContact CD2-CE2 3.97Å; F94-Y244 HydrophobicContact CD2-CE2 3.97Å; F94-Y244 AromaticContact CE1-CD1 3.52Å; F94-Y244 HydrophobicContact CE1-CD1 3.52Å; F94-Y244 HydrophobicContact CE1-CD2 4.01Å; F94-Y244 AromaticContact CE1-CE1 3.7Å; F94-Y244 HydrophobicContact CE1-CE1 3.7Å; F94-Y244 HydrophobicContact CE1-CE2 4.18Å; F94-Y244 AromaticContact CE1-CG 3.68Å; F94-Y244 HydrophobicContact CE1-CG 3.68Å; F94-Y244 HydrophobicContact CE2-CD2 4.23Å; F94-Y244 HydrophobicContact CE2-CE2 4.25Å; F94-Y244 HydrophobicContact CG-CD1 4.46Å; F94-Y244 HydrophobicContact CG-CD2 4.39Å; F94-Y244 AromaticContact CG-CE1 3.84Å; F94-Y244 HydrophobicContact CG-CE1 3.84Å; F94-Y244 AromaticContact CG-CE2 3.78Å; F94-Y244 HydrophobicContact CG-CE2 3.78Å; F94-Y244 AromaticContact CG-CZ 3.46Å; F94-Y244 VanDerWaalsContact CG-CZ 3.46Å; F94-Y244 HydrophobicContact CZ-CD1 4.32Å; F94-Y244 HydrophobicContact CZ-CD2 4.04Å; F94-Y244 HydrophobicContact CZ-CE2 4.37Å; F94-Y244 HydrophobicContact CZ-CG 4.01Å; F94-L268 HydrophobicContact CE1-CD1 3.87Å; F94-I277 HydrophobicContact CZ-CG2 4.3Å; F94-L279 HydrophobicContact CE1-CD2 4.39Å; F94-L279 HydrophobicContact CE2-CD2 3.8Å; F94-L279 HydrophobicContact CZ-CD2 3.39Å; F94-P280 HydrophobicContact CD2-CG 4.26Å
95L98.1Very high95.2Very high1 Ų133.1 Ų33.11%0.00519%0.188CC..Hα-helixtrans-62.1-49.9177.4-73.3168.5000111.1F87 S91 A92 H93 D97 T98 L99 L115 I221 I223 L268F87-L95 HydrophobicContact CD2-CD1 4.39Å; F87-L95 HydrophobicContact CE2-CD1 4.09Å; F87-L95 HydrophobicContact CZ-CD1 4.28Å; S91-L95 WeakPolarHBondContact O-CG 3.29Å; S91-L95 PolarHBondContact O-N 3.35Å; S91-L95 VanDerWaalsContact O-N 3.16Å; A92-L95 PolarHBondContact O-N 3.18Å; H93-L95 VanDerWaalsContact C-N 3.27Å; H93-L95 PolarHBondContact O-N 2.64Å; L95-D97 PolarHBondContact O-N 3.16Å; L95-T98 PolarHBondContact O-N 3.34Å; L95-L99 WeakPolarHBondContact O-CG 3.43Å; L95-L99 PolarHBondContact O-N 3.19Å; L95-L115 HydrophobicContact CB-CD1 4.11Å; L95-I221 HydrophobicContact CD2-CG2 4.37Å; L95-I223 HydrophobicContact CD1-CD1 3.76Å; L95-I223 HydrophobicContact CD2-CD1 4.44Å; L95-L268 HydrophobicContact CD2-CD1 4.23Å; L95-L268 HydrophobicContact CD2-CD2 4.12Å
96L97.2Very high95.6Very high9 Ų932.5 Ų32.55%0.04719%0.186CC..Hα-helixtrans-57.5-51.6179.3176.557000112A92 H93 T98 L99 A100 L115 L118 I119 M127A92-L96 PolarHBondContact O-N 3.49Å; H93-L96 PolarHBondContact O-N 3.02Å; H93-L96 VanDerWaalsContact O-N 3.12Å; L96-T98 VanDerWaalsContact C-N 3.33Å; L96-T98 PolarHBondContact O-N 3.29Å; L96-L99 PolarHBondContact O-N 3.33Å; L96-A100 WeakPolarHBondContact O-CB 3.36Å; L96-A100 PolarHBondContact O-N 2.81Å; L96-L115 HydrophobicContact CB-CD1 4.19Å; L96-L118 HydrophobicContact CD2-CB 3.9Å; L96-I119 HydrophobicContact CD1-CG1 3.65Å; L96-M127 HydrophobicContact CD1-SD 3.87Å
97D96.1Very high95.8Very high97 Ų9732.2 Ų32.252%0.51918%0.184SC..Hα-helixtrans-66-37.5-176.6-64-24.3000111.3H93 L95 G101H93-D97 WeakPolarHBondContact O-CB 3.11Å; H93-D97 VanDerWaalsContact O-CG 3.26Å; H93-D97 PolarHBondContact O-N 3.43Å; L95-D97 PolarHBondContact O-N 3.16Å; D97-G101 PolarHBondContact O-N 3.28Å
98T96.9Very high95.9Very high19 Ų1932 Ų3212%0.11718%0.183CC..Hα-helixtrans-61.7-49.7173.6-62.60000111.1F94 L95 L96 A100 G101 L102 I277F94-T98 WeakPolarHBondContact CE2-OG1 3.41Å; F94-T98 WeakPolarHBondContact CZ-OG1 3.34Å; F94-T98 WeakPolarHBondContact O-CB 3.31Å; F94-T98 PolarHBondContact O-N 3.19Å; F94-T98 PolarHBondContact O-OG1 3.03Å; L95-T98 PolarHBondContact O-N 3.34Å; L96-T98 VanDerWaalsContact C-N 3.33Å; L96-T98 PolarHBondContact O-N 3.29Å; T98-A100 VanDerWaalsContact C-N 3.35Å; T98-A100 PolarHBondContact O-N 2.93Å; T98-G101 PolarHBondContact O-N 3.39Å; T98-L102 HydrophobicContact CG2-CD1 4Å; T98-L102 WeakPolarHBondContact O-CB 3.45Å; T98-L102 VanDerWaalsContact O-CG 3.24Å; T98-L102 WeakPolarHBondContact O-CG 3.17Å; T98-L102 PolarHBondContact O-N 2.97Å; T98-I277 HydrophobicContact CG2-CG1 4.33Å; T98-I277 HydrophobicContact CG2-CG2 3.96Å
99L96.9Very high96.1Very high0 Ų031 Ų310%018%0.177CC..Hα-helixtrans-65.3-41.2-178.1-66.2175.2000111.7L95 L96 L102 G103 Y104 V107 M127 V180 V182 I221L95-L99 WeakPolarHBondContact O-CG 3.43Å; L95-L99 PolarHBondContact O-N 3.19Å; L96-L99 PolarHBondContact O-N 3.33Å; L99-L102 PolarHBondContact O-N 3.22Å; L99-G103 PolarHBondContact O-N 2.84Å; L99-Y104 HydrophobicContact CB-CD2 4.4Å; L99-Y104 HydrophobicContact CD2-CD2 3.97Å; L99-Y104 HydrophobicContact CD2-CE2 4.34Å; L99-Y104 WeakPolarHBondContact O-CD2 3.42Å; L99-Y104 PolarHBondContact O-N 2.96Å; L99-Y104 VanDerWaalsContact O-N 3.12Å; L99-V107 HydrophobicContact CD1-CG1 4.01Å; L99-V107 HydrophobicContact CD1-CG2 4.15Å; L99-M127 HydrophobicContact CB-CE 4.22Å; L99-V180 HydrophobicContact CD1-CG1 4.15Å; L99-V180 HydrophobicContact CD2-CB 4.39Å; L99-V180 HydrophobicContact CD2-CG1 3.8Å; L99-V180 HydrophobicContact CD2-CG2 3.86Å; L99-V180 HydrophobicContact CG-CG1 4.41Å; L99-V182 HydrophobicContact CD1-CG2 3.65Å; L99-I221 HydrophobicContact CD2-CD1 3.67Å
100A94.9Very high96.4Very high12 Ų1227.6 Ų27.610%0.09916%0.159CC..Hα-helixtrans-62.5-46.7174.800000112.1L96 T98 L102 G103 R122 M127L96-A100 WeakPolarHBondContact O-CB 3.36Å; L96-A100 PolarHBondContact O-N 2.81Å; T98-A100 VanDerWaalsContact C-N 3.35Å; T98-A100 PolarHBondContact O-N 2.93Å; A100-L102 PolarHBondContact O-N 3.21Å; A100-G103 WeakPolarHBondContact O-CA 3.38Å; A100-G103 PolarHBondContact O-N 3.28Å; A100-R122 VanDerWaalsContact CB-CZ 3.44Å; A100-R122 VanDerWaalsContact CB-NH1 3.33Å; A100-M127 HydrophobicContact CB-SD 4.21Å
101G94.9Very high96.6Very high73 Ų7323.9 Ų23.975%0.75315%0.149SC*.Hα-helixtrans-65.4-25.4178.400000113.7D97 T98 G103D97-G101 PolarHBondContact O-N 3.28Å; T98-G101 PolarHBondContact O-N 3.39Å; G101-G103 VanDerWaalsContact C-N 3.25Å
102L95.4Very high96.7Very high46 Ų4623.9 Ų23.924%0.24115%0.149CC..THydrogen-bonded Turntrans-79.8-5.1170.6-69.4172.4000113.4T98 L99 A100 Y104 I272 H276 I277T98-L102 HydrophobicContact CG2-CD1 4Å; T98-L102 WeakPolarHBondContact O-CB 3.45Å; T98-L102 VanDerWaalsContact O-CG 3.24Å; T98-L102 WeakPolarHBondContact O-CG 3.17Å; T98-L102 PolarHBondContact O-N 2.97Å; L99-L102 PolarHBondContact O-N 3.22Å; A100-L102 PolarHBondContact O-N 3.21Å; L102-Y104 HydrophobicContact CB-CD2 3.79Å; L102-Y104 HydrophobicContact CB-CE2 3.74Å; L102-Y104 HydrophobicContact CD1-CD2 4.47Å; L102-Y104 HydrophobicContact CD1-CE2 3.94Å; L102-I272 HydrophobicContact CD1-CD1 4.41Å; L102-I272 HydrophobicContact CD1-CG2 4.18Å; L102-H276 HydrophobicContact CD2-CB 3.73Å; L102-I277 HydrophobicContact CD1-CG1 4.17Å
103G94.1Very high96.7Very high33 Ų3324.2 Ų24.234%0.3415%0.151SC..THydrogen-bonded Turntrans87.76.2176.400000115.2L99 A100 G101 K105L99-G103 PolarHBondContact O-N 2.84Å; A100-G103 WeakPolarHBondContact O-CA 3.38Å; A100-G103 PolarHBondContact O-N 3.28Å; G101-G103 VanDerWaalsContact C-N 3.25Å; G103-K105 PolarHBondContact O-N 2.71Å
104Y95.1Very high96.7Very high21 Ų2121.6 Ų21.68%0.08214%0.138CC..  trans-64.7136.4177.2-67.2-68.8000111L99 L102 M127 Q178 V180 P219 I272L99-Y104 HydrophobicContact CB-CD2 4.4Å; L99-Y104 HydrophobicContact CD2-CD2 3.97Å; L99-Y104 HydrophobicContact CD2-CE2 4.34Å; L99-Y104 WeakPolarHBondContact O-CD2 3.42Å; L99-Y104 PolarHBondContact O-N 2.96Å; L99-Y104 VanDerWaalsContact O-N 3.12Å; L102-Y104 HydrophobicContact CB-CD2 3.79Å; L102-Y104 HydrophobicContact CB-CE2 3.74Å; L102-Y104 HydrophobicContact CD1-CD2 4.47Å; L102-Y104 HydrophobicContact CD1-CE2 3.94Å; Y104-M127 WeakPolarHBondContact O-CE 3.43Å; Y104-Q178 HydrophobicContact CD1-CB 4Å; Y104-Q178 HydrophobicContact CE1-CB 4.3Å; Y104-V180 HydrophobicContact CD1-CB 3.69Å; Y104-V180 HydrophobicContact CD1-CG1 3.97Å; Y104-V180 HydrophobicContact CD2-CB 4.05Å; Y104-V180 HydrophobicContact CD2-CG1 3.96Å; Y104-V180 HydrophobicContact CD2-CG2 4.47Å; Y104-V180 HydrophobicContact CE1-CB 3.85Å; Y104-V180 HydrophobicContact CE2-CB 4.18Å; Y104-V180 HydrophobicContact CE2-CG2 4.28Å; Y104-V180 HydrophobicContact CG-CB 3.81Å; Y104-V180 HydrophobicContact CG-CG1 3.63Å; Y104-P219 HydrophobicContact CE1-CB 3.96Å; Y104-P219 HydrophobicContact CE1-CG 3.99Å; Y104-P219 VanDerWaalsContact OH-CB 3.29Å; Y104-P219 WeakPolarHBondContact OH-CB 3.31Å; Y104-I272 HydrophobicContact CE2-CD1 3.95Å
105K93.8Very high96.8Very high67 Ų6720.6 Ų20.629%0.29113%0.134SC..  trans-111.4-16177.9-59.4-58.9-177.9-177.30113G103 E125 M127 K128 G176 Q178G103-K105 PolarHBondContact O-N 2.71Å; K105-E125 IonicContact NZ-OE1 3.58Å; K105-M127 CarbonylContact O-C 3.54Å; K105-M127 VanDerWaalsContact O-CA 3.32Å; K105-M127 WeakPolarHBondContact O-CA 3.32Å; K105-K128 PolarHBondContact O-N 2.97Å; K105-G176 VanDerWaalsContact CG-O 3.3Å; K105-G176 WeakPolarHBondContact CG-O 3.41Å; K105-Q178 PolarHBondContact N-O 2.98Å
106K96.6Very high96.7Very high8 Ų820.5 Ų20.54%0.03513%0.133CC..EExtended strand (participates in β ladder)trans-126.5123.4179.7-60.5-179.868.1174.70110.2K128 F170 S172 E177 Q178 V179 V180K106-K128 CarbonylContact C-O 3.58Å; K106-K128 WeakPolarHBondContact CA-O 3.19Å; K106-K128 HydrophobicContact CG-CB 4.19Å; K106-K128 HydrophobicContact CG-CD 4.33Å; K106-F170 HydrophobicContact CB-CE1 4.18Å; K106-F170 HydrophobicContact CB-CZ 3.9Å; K106-F170 WeakPolarHBondContact CE-O 3.19Å; K106-F170 PolarHBondContact NZ-O 2.69Å; K106-S172 PolarHBondContact NZ-O 3.32Å; K106-E177 HydrophobicContact CD-CB 3.82Å; K106-E177 WeakPolarHBondContact CD-O 3.39Å; K106-E177 HydrophobicContact CG-CB 4.37Å; K106-E177 IonicContact NZ-OE2 3.27Å; K106-Q178 PolarHBondContact N-O 3.33Å; K106-V179 HydrophobicContact CB-CB 4.29Å; K106-V179 HydrophobicContact CB-CG1 4.41Å; K106-V179 HydrophobicContact CB-CG2 3.75Å; K106-V179 HydrophobicContact CD-CG2 3.92Å; K106-V179 HydrophobicContact CG-CG2 4.4Å; K106-V179 WeakPolarHBondContact O-CA 3.43Å; K106-V180 PolarHBondContact O-N 3.02Å
107V98.1Very high96.7Very high0 Ų020.1 Ų20.10%013%0.131CC..EExtended strand (participates in β ladder)trans-118.2112.1178.6-170.70000110.7L99 C109 L115 I119 M127 K128 S129 L130 F170 V180 V182L99-V107 HydrophobicContact CD1-CG1 4.01Å; L99-V107 HydrophobicContact CD1-CG2 4.15Å; V107-C109 PolarHBondContact O-N 3.21Å; V107-L115 HydrophobicContact CG1-CD2 4.35Å; V107-I119 HydrophobicContact CB-CD1 3.65Å; V107-I119 HydrophobicContact CG1-CD1 3.85Å; V107-I119 HydrophobicContact CG2-CD1 3.86Å; V107-M127 HydrophobicContact CG2-CE 3.38Å; V107-K128 PolarHBondContact N-O 3.36Å; V107-S129 VanDerWaalsContact O-CA 3.28Å; V107-S129 WeakPolarHBondContact O-CA 3.24Å; V107-L130 PolarHBondContact O-N 2.75Å; V107-F170 WeakPolarHBondContact O-CZ 3.27Å; V107-V180 CarbonylContact C-O 3.59Å; V107-V180 WeakPolarHBondContact CA-O 3.33Å; V107-V180 HydrophobicContact CB-CG1 4.43Å; V107-V180 HydrophobicContact CG1-CG1 4.29Å; V107-V180 HydrophobicContact CG2-CG1 4.05Å; V107-V182 HydrophobicContact CG1-CG2 3.83Å
108L98.7Very high96.7Very high0 Ų016 Ų160%011%0.109CC..EExtended strand (participates in β ladder)trans-81.5106170.8-177.264.6000109V110 L130 L132 L167 F170 L171 V180 M181 V182 I201L108-V110 HydrophobicContact CD2-CG2 4.35Å; L108-V110 HydrophobicContact CG-CG2 4.07Å; L108-L130 HydrophobicContact CD1-CB 4.04Å; L108-L130 HydrophobicContact CD1-CD2 3.88Å; L108-L130 HydrophobicContact CD1-CG 4.02Å; L108-L132 HydrophobicContact CD1-CD1 3.97Å; L108-L132 HydrophobicContact CD1-CD2 4.38Å; L108-L132 HydrophobicContact CD1-CG 3.85Å; L108-L132 HydrophobicContact CD2-CD1 4.41Å; L108-L132 HydrophobicContact CG-CD1 4.44Å; L108-L167 HydrophobicContact CD1-CD1 3.8Å; L108-L167 HydrophobicContact CD2-CD1 3.89Å; L108-F170 HydrophobicContact CB-CD1 4.36Å; L108-F170 HydrophobicContact CB-CE1 3.88Å; L108-F170 HydrophobicContact CD1-CD1 4.18Å; L108-F170 HydrophobicContact CD1-CE1 4.34Å; L108-L171 HydrophobicContact CD2-CD2 4.15Å; L108-V180 PolarHBondContact N-O 2.91Å; L108-M181 HydrophobicContact CB-CB 4.38Å; L108-M181 HydrophobicContact CB-CG 4.43Å; L108-M181 HydrophobicContact CD2-CG 4.15Å; L108-M181 HydrophobicContact CD2-SD 4.04Å; L108-M181 HydrophobicContact CG-CG 4.41Å; L108-M181 WeakPolarHBondContact O-CA 3.46Å; L108-V182 PolarHBondContact O-N 2.96Å; L108-I201 HydrophobicContact CD2-CD1 4.45Å; L108-I201 HydrophobicContact CD2-CG2 3.74Å
109C98.8Very high96.7Very high0 Ų015.2 Ų15.20%010%0.104CC..EExtended strand (participates in β ladder)trans-89.7106.3-178.1-68.40000110V107 T112 Q116 L130 L131 L132V107-C109 PolarHBondContact O-N 3.21Å; C109-T112 VanDerWaalsContact CA-OG1 3.24Å; C109-T112 WeakPolarHBondContact CA-OG1 3.29Å; C109-T112 WeakPolarHBondContact CB-OG1 3.12Å; C109-Q116 HydrophobicContact CB-CB 4.43Å; C109-L130 PolarHBondContact N-O 3.1Å; C109-L131 HydrophobicContact CB-CD1 4.04Å; C109-L131 CarbonylContact O-C 3.5Å; C109-L131 WeakPolarHBondContact O-CA 3.32Å; C109-L132 PolarHBondContact O-N 3.25Å
110V98.5Very high96.5Very high1 Ų119.8 Ų19.81%0.00612%0.124CC..EExtended strand (participates in β ladder)trans-104.5100.3179.4-1720000109.8L108 T112 L132 Y150 M152 M181 V182 A183 D184 F198L108-V110 HydrophobicContact CD2-CG2 4.35Å; L108-V110 HydrophobicContact CG-CG2 4.07Å; V110-T112 VanDerWaalsContact C-N 3.34Å; V110-T112 PolarHBondContact N-OG1 2.85Å; V110-L132 HydrophobicContact CG1-CB 4.45Å; V110-L132 HydrophobicContact CG2-CB 4.4Å; V110-L132 HydrophobicContact CG2-CD1 4.17Å; V110-L132 HydrophobicContact CG2-CG 4.48Å; V110-Y150 HydrophobicContact CG1-CE1 4.17Å; V110-M152 HydrophobicContact CG1-CB 4.32Å; V110-M152 HydrophobicContact CG1-CE 4.24Å; V110-M181 HydrophobicContact CG2-CG 3.94Å; V110-M181 HydrophobicContact CG2-SD 3.98Å; V110-V182 PolarHBondContact N-O 3.07Å; V110-A183 HydrophobicContact CB-CB 4.02Å; V110-A183 WeakPolarHBondContact O-CA 3.41Å; V110-D184 PolarHBondContact O-N 3.34Å; V110-F198 HydrophobicContact CG1-CE1 4.27Å
111G97.6Very high96.4Very high13 Ų1321.5 Ų21.513%0.13413%0.132CC..SBendtrans70.925.4-175.800000114.3P113 L132 D133G111-P113 WeakPolarHBondContact O-CD 3.28Å; G111-L132 PolarHBondContact N-O 2.98Å; G111-D133 WeakPolarHBondContact CA-OD2 3.11Å
112T98.1Very high96.1Very high1 Ų120.4 Ų20.41%0.00611%0.105CC..  trans-122.159.8-173.746.90000112.7F87 C109 V110 R114 L115 Q116 V182 D184F87-T112 HydrophobicContact CE2-CG2 3.76Å; F87-T112 HydrophobicContact CZ-CG2 3.86Å; C109-T112 VanDerWaalsContact CA-OG1 3.24Å; C109-T112 WeakPolarHBondContact CA-OG1 3.29Å; C109-T112 WeakPolarHBondContact CB-OG1 3.12Å; V110-T112 VanDerWaalsContact C-N 3.34Å; V110-T112 PolarHBondContact N-OG1 2.85Å; T112-R114 VanDerWaalsContact C-N 3.32Å; T112-R114 PolarHBondContact O-N 2.73Å; T112-L115 PolarHBondContact O-N 3.15Å; T112-Q116 PolarHBondContact O-N 2.85Å; T112-V182 HydrophobicContact CG2-CG1 4.35Å; T112-V182 PolarHBondContact OG1-O 3.45Å; T112-D184 HydrophobicContact CG2-CB 3.51Å
113P97.4Very high95.2Very high6 Ų624.6 Ų24.64%0.03913%0.127CC..Hα-helixtrans-59.7-35.8-171.722.6-33.9000114L86 G111 L115 Q116 E117 L131 Y138L86-P113 HydrophobicContact CD2-CG 3.95Å; G111-P113 WeakPolarHBondContact O-CD 3.28Å; P113-L115 VanDerWaalsContact C-N 3.32Å; P113-L115 PolarHBondContact O-N 3.29Å; P113-Q116 WeakPolarHBondContact O-CB 3.32Å; P113-Q116 PolarHBondContact O-N 3.36Å; P113-E117 VanDerWaalsContact O-CG 3.31Å; P113-E117 WeakPolarHBondContact O-CG 3.48Å; P113-E117 PolarHBondContact O-N 3.49Å; P113-L131 HydrophobicContact CB-CD2 4.21Å; P113-Y138 HydrophobicContact CB-CD1 4.22Å; P113-Y138 HydrophobicContact CB-CE1 3.46Å; P113-Y138 VanDerWaalsContact CB-CE1 3.46Å; P113-Y138 HydrophobicContact CB-CE2 3.96Å; P113-Y138 WeakPolarHBondContact CB-OH 3.39Å; P113-Y138 HydrophobicContact CG-CE1 4.4Å; P113-Y138 HydrophobicContact CG-CE2 4.21Å; P113-Y138 WeakPolarHBondContact CG-OH 3.4Å
114R97Very high94.2Very high25 Ų2531 Ų319%0.09415%0.153CC..Hα-helixtrans-67.4-31.2176.6-84.2-167.4177.6171.6-0.9113.8S70 L86 F87 T112 L118 D249S70-R114 VanDerWaalsContact OG-CG 3.31Å; S70-R114 WeakPolarHBondContact OG-CG 3.22Å; S70-R114 PolarHBondContact OG-NE 2.71Å; L86-R114 HydrophobicContact CB-CG 4.38Å; L86-R114 VanDerWaalsContact CB-CZ 3.47Å; L86-R114 HydrophobicContact CD2-CG 4.34Å; F87-R114 WeakPolarHBondContact O-CD 3.35Å; F87-R114 PolarHBondContact O-NH1 3.24Å; T112-R114 VanDerWaalsContact C-N 3.32Å; T112-R114 PolarHBondContact O-N 2.73Å; R114-L118 WeakPolarHBondContact O-CG 3.32Å; R114-L118 PolarHBondContact O-N 3.29Å; R114-D249 IonicContact CZ-OD2 3.57Å; R114-D249 VanDerWaalsContact NH1-CG 3.3Å; R114-D249 IonicContact NH1-OD2 3.56Å; R114-D249 PolarHBondContact NH1-OD2 3Å; R114-D249 IonicContact NH2-OD2 3.74Å; R114-D249 PolarHBondContact NH2-OD2 3.25Å
115L97.9Very high93.4Very high0 Ų034 Ų340%017%0.168CC..Hα-helixtrans-71.4-43.3175.4-177.159.7000110.3L95 L96 V107 T112 P113 E117 L118 I119 V182L95-L115 HydrophobicContact CB-CD1 4.11Å; L96-L115 HydrophobicContact CB-CD1 4.19Å; V107-L115 HydrophobicContact CG1-CD2 4.35Å; T112-L115 PolarHBondContact O-N 3.15Å; P113-L115 VanDerWaalsContact C-N 3.32Å; P113-L115 PolarHBondContact O-N 3.29Å; L115-E117 VanDerWaalsContact C-N 3.3Å; L115-E117 PolarHBondContact O-N 2.75Å; L115-L118 PolarHBondContact O-N 3.24Å; L115-I119 HydrophobicContact CD1-CD1 4.26Å; L115-I119 HydrophobicContact CD1-CG1 4.39Å; L115-I119 HydrophobicContact CG-CD1 3.87Å; L115-I119 HydrophobicContact CG-CG1 4.48Å; L115-I119 WeakPolarHBondContact O-CD1 3.45Å; L115-I119 VanDerWaalsContact O-CG1 3.28Å; L115-I119 WeakPolarHBondContact O-CG1 3.3Å; L115-I119 PolarHBondContact O-N 3.34Å; L115-V182 HydrophobicContact CD2-CB 3.82Å; L115-V182 HydrophobicContact CD2-CG1 3.71Å; L115-V182 HydrophobicContact CD2-CG2 3.9Å
116Q97.6Very high93Very high0 Ų036 Ų360%019%0.187CC..Hα-helixtrans-52.5-48.2172.6178.574.79.600111.2C109 T112 P113 L118 I119 K120 S129 L131 Y142 E146C109-Q116 HydrophobicContact CB-CB 4.43Å; T112-Q116 PolarHBondContact O-N 2.85Å; P113-Q116 WeakPolarHBondContact O-CB 3.32Å; P113-Q116 PolarHBondContact O-N 3.36Å; Q116-L118 PolarHBondContact O-N 3.44Å; Q116-I119 PolarHBondContact O-N 2.96Å; Q116-K120 WeakPolarHBondContact O-CG 3.43Å; Q116-K120 PolarHBondContact O-N 3.41Å; Q116-S129 PolarHBondContact NE2-O 2.91Å; Q116-S129 PolarHBondContact NE2-OG 3.33Å; Q116-S129 VanDerWaalsContact NE2-OG 3.08Å; Q116-S129 PolarHBondContact OE1-OG 2.85Å; Q116-L131 HydrophobicContact CB-CB 4.33Å; Q116-L131 HydrophobicContact CB-CD2 4.49Å; Q116-L131 HydrophobicContact CG-CB 3.94Å; Q116-L131 HydrophobicContact CG-CD2 4.38Å; Q116-Y142 HydrophobicContact CG-CE1 3.9Å; Q116-Y142 HydrophobicContact CG-CE2 4.29Å; Q116-E146 PolarHBondContact NE2-O 2.91Å
117E97Very high92.8Very high0 Ų036.2 Ų36.20%019%0.189CC..Hα-helixtrans-57.6-49.7178.2-72.5167.1-158.700112.7R68 P69 S70 P113 L115 I119 K120 L121 Y142R68-E117 WeakPolarHBondContact CA-OE2 3.35Å; P69-E117 WeakPolarHBondContact CD-OE1 3.36Å; S70-E117 WeakPolarHBondContact CA-OE1 3.21Å; S70-E117 WeakPolarHBondContact CB-OE1 3.21Å; S70-E117 PolarHBondContact N-OE1 2.68Å; S70-E117 VanDerWaalsContact OG-CD 3.3Å; S70-E117 PolarHBondContact OG-OE1 3.42Å; S70-E117 PolarHBondContact OG-OE2 2.87Å; P113-E117 VanDerWaalsContact O-CG 3.31Å; P113-E117 WeakPolarHBondContact O-CG 3.48Å; P113-E117 PolarHBondContact O-N 3.49Å; L115-E117 VanDerWaalsContact C-N 3.3Å; L115-E117 PolarHBondContact O-N 2.75Å; E117-I119 PolarHBondContact O-N 3.21Å; E117-K120 PolarHBondContact O-N 3.22Å; E117-L121 WeakPolarHBondContact O-CG 3.28Å; E117-L121 PolarHBondContact O-N 3.26Å; E117-Y142 WeakPolarHBondContact CG-OH 3.3Å
118L96.3Very high92.7Very high11 Ų1141.3 Ų41.36%0.05821%0.211CC..Hα-helixtrans-66.9-37.6-178.5-68.2-175.5000112.3A92 L96 R114 L115 Q116 K120 L121 R122A92-L118 HydrophobicContact CB-CD1 3.39Å; L96-L118 HydrophobicContact CD2-CB 3.9Å; R114-L118 WeakPolarHBondContact O-CG 3.32Å; R114-L118 PolarHBondContact O-N 3.29Å; L115-L118 PolarHBondContact O-N 3.24Å; Q116-L118 PolarHBondContact O-N 3.44Å; L118-K120 VanDerWaalsContact C-N 3.31Å; L118-K120 PolarHBondContact O-N 3.5Å; L118-L121 HydrophobicContact CD2-CD1 4.45Å; L118-L121 PolarHBondContact O-N 3Å; L118-R122 PolarHBondContact O-N 2.88Å
119I96.1Very high92.6Very high3 Ų341.6 Ų41.62%0.01521%0.213CC..Hα-helixtrans-58.9-46.3173.8-68.5160.1000110.2L96 V107 L115 Q116 E117 L121 R122 M127L96-I119 HydrophobicContact CD1-CG1 3.65Å; V107-I119 HydrophobicContact CB-CD1 3.65Å; V107-I119 HydrophobicContact CG1-CD1 3.85Å; V107-I119 HydrophobicContact CG2-CD1 3.86Å; L115-I119 HydrophobicContact CD1-CD1 4.26Å; L115-I119 HydrophobicContact CD1-CG1 4.39Å; L115-I119 HydrophobicContact CG-CD1 3.87Å; L115-I119 HydrophobicContact CG-CG1 4.48Å; L115-I119 WeakPolarHBondContact O-CD1 3.45Å; L115-I119 VanDerWaalsContact O-CG1 3.28Å; L115-I119 WeakPolarHBondContact O-CG1 3.3Å; L115-I119 PolarHBondContact O-N 3.34Å; Q116-I119 PolarHBondContact O-N 2.96Å; E117-I119 PolarHBondContact O-N 3.21Å; I119-L121 VanDerWaalsContact C-N 3.27Å; I119-L121 PolarHBondContact O-N 3.44Å; I119-R122 VanDerWaalsContact O-CB 3.23Å; I119-R122 WeakPolarHBondContact O-CB 3.44Å; I119-R122 PolarHBondContact O-N 2.85Å; I119-R122 VanDerWaalsContact O-N 3.13Å; I119-M127 HydrophobicContact CG2-CB 3.8Å; I119-M127 WeakPolarHBondContact CG2-O 3.38Å
120K93.2Very high92.6Very high96 Ų9641.6 Ų41.642%0.41721%0.213SC..Hα-helixtrans-66.2-26.3178.9-72.7-63.5-52-176.50113.9Q116 E117 L118 R122 E146Q116-K120 WeakPolarHBondContact O-CG 3.43Å; Q116-K120 PolarHBondContact O-N 3.41Å; E117-K120 PolarHBondContact O-N 3.22Å; L118-K120 VanDerWaalsContact C-N 3.31Å; L118-K120 PolarHBondContact O-N 3.5Å; K120-R122 VanDerWaalsContact C-N 3.32Å; K120-E146 VanDerWaalsContact CE-OE1 3.3Å; K120-E146 WeakPolarHBondContact CE-OE1 3.37Å; K120-E146 IonicContact NZ-OE1 3.19Å; K120-E146 PolarHBondContact NZ-OE1 2.7Å
121L92.6Very high92.6Very high48 Ų4841.6 Ų41.625%0.25121%0.213SC..Hα-helixtrans-82.4-10.5175.9-72.5172.6000113.2R67 R68 E117 L118 I119 N123R67-L121 HydrophobicContact CB-CD2 3.7Å; R67-L121 HydrophobicContact CB-CG 4.49Å; R67-L121 HydrophobicContact CG-CD2 4.42Å; R68-L121 HydrophobicContact CG-CD1 3.74Å; E117-L121 WeakPolarHBondContact O-CG 3.28Å; E117-L121 PolarHBondContact O-N 3.26Å; L118-L121 HydrophobicContact CD2-CD1 4.45Å; L118-L121 PolarHBondContact O-N 3Å; I119-L121 VanDerWaalsContact C-N 3.27Å; I119-L121 PolarHBondContact O-N 3.44Å; L121-N123 PolarHBondContact O-N 3.27Å
122R88.4Confident92.7Very high49 Ų4941 Ų4119%0.18521%0.206CC..  trans-73.6119.7-178.6-166.5176.4-173.4-133.9-8.7110.6A100 L118 I119 K120 E125 M127A100-R122 VanDerWaalsContact CB-CZ 3.44Å; A100-R122 VanDerWaalsContact CB-NH1 3.33Å; L118-R122 PolarHBondContact O-N 2.88Å; I119-R122 VanDerWaalsContact O-CB 3.23Å; I119-R122 WeakPolarHBondContact O-CB 3.44Å; I119-R122 PolarHBondContact O-N 2.85Å; I119-R122 VanDerWaalsContact O-N 3.13Å; K120-R122 VanDerWaalsContact C-N 3.32Å; R122-E125 WeakPolarHBondContact CD-O 3.11Å; R122-E125 IonicContact CZ-OE2 2.78Å; R122-E125 PolarHBondContact NH1-O 2.95Å; R122-E125 VanDerWaalsContact NH1-O 3.11Å; R122-E125 IonicContact NH1-OE2 2.8Å; R122-E125 IonicContact NH2-OE2 3.64Å; R122-E125 PolarHBondContact NH2-OE2 2.89Å; R122-M127 PolarHBondContact NH1-SD 3.16Å
123N77.4Confident92.6Very high135 Ų13541.5 Ų41.572%0.72221%0.209SC*.  trans-100.2-31.5-179.4-64.9-31000114L121L121-N123 PolarHBondContact O-N 3.27Å
124L72.4Confident92.6Very high167 Ų16744 Ų4487%0.87422%0.221SC*.SBendtrans-71.4-36.1-169.5-69172000113.1
125E78.2Confident92.5Very high84 Ų8443 Ų4339%0.39322%0.218SC..SBendtrans-145.298.4174.3-61.2-174.7133.700108K105 R122 M127K105-E125 IonicContact NZ-OE1 3.58Å; R122-E125 WeakPolarHBondContact CD-O 3.11Å; R122-E125 IonicContact CZ-OE2 2.78Å; R122-E125 PolarHBondContact NH1-O 2.95Å; R122-E125 VanDerWaalsContact NH1-O 3.11Å; R122-E125 IonicContact NH1-OE2 2.8Å; R122-E125 IonicContact NH2-OE2 3.64Å; R122-E125 PolarHBondContact NH2-OE2 2.89Å; E125-M127 PolarHBondContact O-N 3.47Å
126P85.1Confident92.4Very high108 Ų10844.7 Ų44.770%0.70123%0.225SC*.  trans-58.3130-179-25.735000111
127M93.4Very high92.3Very high13 Ų1346.7 Ų46.76%0.06423%0.233CC..  trans-113.6141.2169.6-63.5167.878.700108.1L96 L99 A100 Y104 K105 V107 I119 R122 E125L96-M127 HydrophobicContact CD1-SD 3.87Å; L99-M127 HydrophobicContact CB-CE 4.22Å; A100-M127 HydrophobicContact CB-SD 4.21Å; Y104-M127 WeakPolarHBondContact O-CE 3.43Å; K105-M127 CarbonylContact O-C 3.54Å; K105-M127 VanDerWaalsContact O-CA 3.32Å; K105-M127 WeakPolarHBondContact O-CA 3.32Å; V107-M127 HydrophobicContact CG2-CE 3.38Å; I119-M127 HydrophobicContact CG2-CB 3.8Å; I119-M127 WeakPolarHBondContact CG2-O 3.38Å; R122-M127 PolarHBondContact NH1-SD 3.16Å; E125-M127 PolarHBondContact O-N 3.47Å
128K95.1Very high92.3Very high108 Ų10846.8 Ų46.847%0.4723%0.233SC..EExtended strand (participates in β ladder)trans-80.2142.2172-60.6173.5179166.40108.7K105 K106 V107 F170 E177K105-K128 PolarHBondContact O-N 2.97Å; K106-K128 CarbonylContact C-O 3.58Å; K106-K128 WeakPolarHBondContact CA-O 3.19Å; K106-K128 HydrophobicContact CG-CB 4.19Å; K106-K128 HydrophobicContact CG-CD 4.33Å; V107-K128 PolarHBondContact N-O 3.36Å; K128-F170 HydrophobicContact CB-CE2 4.06Å; K128-E177 IonicContact NZ-OE1 3.06Å; K128-E177 PolarHBondContact NZ-OE1 3.44Å; K128-E177 IonicContact NZ-OE2 3.96Å; K128-E177 PolarHBondContact NZ-OE2 2.87Å
129S97.1Very high92.3Very high6 Ų646.2 Ų46.24%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-145.3136.1178.562.90000112.3V107 Q116V107-S129 VanDerWaalsContact O-CA 3.28Å; V107-S129 WeakPolarHBondContact O-CA 3.24Å; Q116-S129 PolarHBondContact NE2-O 2.91Å; Q116-S129 PolarHBondContact NE2-OG 3.33Å; Q116-S129 VanDerWaalsContact NE2-OG 3.08Å; Q116-S129 PolarHBondContact OE1-OG 2.85Å
130L98.4Very high92.4Very high0 Ų046.9 Ų46.90%023%0.234CC..EExtended strand (participates in β ladder)trans-120123.1177173.162.2000108.8V107 L108 C109 L132 V166 L167 F170V107-L130 PolarHBondContact O-N 2.75Å; L108-L130 HydrophobicContact CD1-CB 4.04Å; L108-L130 HydrophobicContact CD1-CD2 3.88Å; L108-L130 HydrophobicContact CD1-CG 4.02Å; C109-L130 PolarHBondContact N-O 3.1Å; L130-L132 HydrophobicContact CD2-CD2 4.08Å; L130-L132 HydrophobicContact CG-CD2 4.04Å; L130-V166 HydrophobicContact CD1-CG1 3.96Å; L130-V166 HydrophobicContact CD2-CG1 4.13Å; L130-L167 HydrophobicContact CD2-CD1 4.19Å; L130-F170 HydrophobicContact CB-CB 4.5Å; L130-F170 HydrophobicContact CB-CD1 4.1Å; L130-F170 HydrophobicContact CB-CD2 3.6Å; L130-F170 HydrophobicContact CB-CE1 4.24Å; L130-F170 HydrophobicContact CB-CE2 3.73Å; L130-F170 HydrophobicContact CB-CG 3.79Å; L130-F170 HydrophobicContact CB-CZ 4.05Å; L130-F170 HydrophobicContact CD2-CB 3.75Å; L130-F170 HydrophobicContact CD2-CD1 4.34Å; L130-F170 HydrophobicContact CD2-CD2 4.4Å; L130-F170 HydrophobicContact CD2-CG 3.9Å
131L98.6Very high92.5Very high0 Ų042.7 Ų42.70%022%0.215CC..EExtended strand (participates in β ladder)trans-93.4115.4176.8178.562000111C109 P113 Q116 D133 Y138 Y142 E146 F147 C148C109-L131 HydrophobicContact CB-CD1 4.04Å; C109-L131 CarbonylContact O-C 3.5Å; C109-L131 WeakPolarHBondContact O-CA 3.32Å; P113-L131 HydrophobicContact CB-CD2 4.21Å; Q116-L131 HydrophobicContact CB-CB 4.33Å; Q116-L131 HydrophobicContact CB-CD2 4.49Å; Q116-L131 HydrophobicContact CG-CB 3.94Å; Q116-L131 HydrophobicContact CG-CD2 4.38Å; L131-D133 HydrophobicContact CD1-CB 4.23Å; L131-D133 HydrophobicContact CG-CB 4.15Å; L131-Y138 HydrophobicContact CD2-CD1 4.36Å; L131-Y138 HydrophobicContact CD2-CG 4.22Å; L131-Y142 HydrophobicContact CD2-CD2 4.32Å; L131-Y142 HydrophobicContact CD2-CE2 3.79Å; L131-E146 PolarHBondContact N-O 3.49Å; L131-F147 HydrophobicContact CB-CD2 4.2Å; L131-F147 HydrophobicContact CD2-CD2 3.96Å; L131-F147 HydrophobicContact CD2-CE2 4.33Å; L131-F147 HydrophobicContact CG-CD2 3.99Å; L131-F147 HydrophobicContact CG-CE2 4.4Å; L131-F147 CarbonylContact O-C 3.29Å; L131-F147 VanDerWaalsContact O-CA 3.32Å; L131-F147 WeakPolarHBondContact O-CA 3.36Å; L131-C148 PolarHBondContact O-N 3.11Å
132L98.7Very high92.7Very high0 Ų041 Ų410%021%0.206CC..EExtended strand (participates in β ladder)trans-97.7109.1166.7-53-169.8000108.9L108 C109 V110 G111 L130 C148 Y150 F157 L167 I201L108-L132 HydrophobicContact CD1-CD1 3.97Å; L108-L132 HydrophobicContact CD1-CD2 4.38Å; L108-L132 HydrophobicContact CD1-CG 3.85Å; L108-L132 HydrophobicContact CD2-CD1 4.41Å; L108-L132 HydrophobicContact CG-CD1 4.44Å; C109-L132 PolarHBondContact O-N 3.25Å; V110-L132 HydrophobicContact CG1-CB 4.45Å; V110-L132 HydrophobicContact CG2-CB 4.4Å; V110-L132 HydrophobicContact CG2-CD1 4.17Å; V110-L132 HydrophobicContact CG2-CG 4.48Å; G111-L132 PolarHBondContact N-O 2.98Å; L130-L132 HydrophobicContact CD2-CD2 4.08Å; L130-L132 HydrophobicContact CG-CD2 4.04Å; L132-C148 HydrophobicContact CD2-CB 3.57Å; L132-Y150 HydrophobicContact CB-CD1 3.61Å; L132-Y150 HydrophobicContact CB-CE1 4.38Å; L132-Y150 HydrophobicContact CB-CG 3.93Å; L132-Y150 HydrophobicContact CD1-CD1 4.1Å; L132-Y150 HydrophobicContact CD1-CE1 4.22Å; L132-Y150 HydrophobicContact CD1-CG 4.28Å; L132-Y150 HydrophobicContact CG-CD1 4.47Å; L132-F157 HydrophobicContact CD1-CE1 4.5Å; L132-F157 HydrophobicContact CD1-CZ 4.38Å; L132-F157 HydrophobicContact CD2-CE1 4.09Å; L132-L167 HydrophobicContact CD1-CD1 4.19Å; L132-I201 HydrophobicContact CD1-CD1 4.37Å
133D97.6Very high92.9Very high12 Ų1240.8 Ų40.86%0.06421%0.212CC..EExtended strand (participates in β ladder)trans-141.7153-179.3-151.6-58.5000112G111 L131 D135 F147 C148 H149 Y150G111-D133 WeakPolarHBondContact CA-OD2 3.11Å; L131-D133 HydrophobicContact CD1-CB 4.23Å; L131-D133 HydrophobicContact CG-CB 4.15Å; D133-D135 WeakPolarHBondContact OD1-CB 3.12Å; D133-D135 PolarHBondContact OD1-N 3.19Å; D133-F147 HydrophobicContact CB-CE2 3.93Å; D133-C148 PolarHBondContact N-O 3.18Å; D133-H149 WeakPolarHBondContact O-CA 3.36Å; D133-Y150 CarbonylContact C-O 3.59Å; D133-Y150 VanDerWaalsContact C-O 3.24Å; D133-Y150 PolarHBondContact O-N 2.61Å
134I95.5Very high93.5Very high58 Ų5838.6 Ų38.630%0.29720%0.197SC..SBendtrans-81.5-21.1174.4-164.762.3000111.4F136 H149 Y150 N151 F158I134-F136 PolarHBondContact O-N 3.01Å; I134-F136 VanDerWaalsContact O-N 3.11Å; I134-H149 PolarHBondContact O-NE2 3.25Å; I134-Y150 WeakPolarHBondContact CA-O 3.33Å; I134-Y150 PolarHBondContact N-O 2.76Å; I134-N151 HydrophobicContact CD1-CB 3.85Å; I134-F158 HydrophobicContact CD1-CE2 3.52Å; I134-F158 HydrophobicContact CD1-CZ 3.83Å
135D95.3Very high94.5Very high6 Ų636.1 Ų36.13%0.03219%0.185CC..  trans-79.989.6178.4-171.71.2000110.8Q84 D133 R137 Y138Q84-D135 PolarHBondContact NE2-OD2 3.14Å; D133-D135 WeakPolarHBondContact OD1-CB 3.12Å; D133-D135 PolarHBondContact OD1-N 3.19Å; D135-R137 PolarHBondContact O-N 3.13Å; D135-R137 VanDerWaalsContact OD1-CB 3.29Å; D135-R137 WeakPolarHBondContact OD1-CB 3.44Å; D135-R137 VanDerWaalsContact OD1-CG 3.28Å; D135-R137 WeakPolarHBondContact OD1-CG 3.33Å; D135-R137 IonicContact OD1-CZ 2.64Å; D135-R137 PolarHBondContact OD1-N 2.92Å; D135-R137 IonicContact OD1-NE 3.97Å; D135-R137 PolarHBondContact OD1-NE 3.12Å; D135-R137 IonicContact OD1-NH2 2.79Å; D135-R137 IonicContact OD2-CZ 3.58Å; D135-R137 IonicContact OD2-NE 2.89Å; D135-R137 PolarHBondContact OD2-NE 3.05Å; D135-R137 IonicContact OD2-NH2 3.81Å; D135-R137 PolarHBondContact OD2-NH2 3.19Å; D135-Y138 HydrophobicContact CB-CD2 4.03Å; D135-Y138 HydrophobicContact CB-CE2 4.24Å; D135-Y138 PolarHBondContact O-N 2.88Å
136F95.6Very high95.3Very high34 Ų3434 Ų3415%0.14918%0.175CC..G310 helixtrans-58.1-16.2179.5-170.8-97.9000114.1P13 F15 Q17 I134 Y138 A139 F147 H149P13-F136 HydrophobicContact CB-CD1 3.23Å; P13-F136 HydrophobicContact CB-CE1 3.34Å; P13-F136 HydrophobicContact CB-CG 3.88Å; P13-F136 HydrophobicContact CB-CZ 4.08Å; P13-F136 HydrophobicContact CG-CB 4.01Å; P13-F136 HydrophobicContact CG-CD1 3.47Å; P13-F136 VanDerWaalsContact CG-CD1 3.47Å; P13-F136 HydrophobicContact CG-CD2 4.02Å; P13-F136 HydrophobicContact CG-CE1 3.86Å; P13-F136 HydrophobicContact CG-CE2 4.38Å; P13-F136 HydrophobicContact CG-CG 3.53Å; P13-F136 HydrophobicContact CG-CZ 4.29Å; F15-F136 WeakPolarHBondContact O-CE1 3.48Å; F15-F136 WeakPolarHBondContact O-CZ 3.36Å; Q17-F136 HydrophobicContact CB-CE2 4.41Å; Q17-F136 HydrophobicContact CB-CZ 4.5Å; I134-F136 PolarHBondContact O-N 3.01Å; I134-F136 VanDerWaalsContact O-N 3.11Å; F136-Y138 PolarHBondContact O-N 3.01Å; F136-Y138 VanDerWaalsContact O-N 3.1Å; F136-A139 HydrophobicContact CD1-CB 4.3Å; F136-A139 HydrophobicContact CD2-CB 4.03Å; F136-A139 HydrophobicContact CE1-CB 4.05Å; F136-A139 HydrophobicContact CE2-CB 3.75Å; F136-A139 HydrophobicContact CG-CB 4.32Å; F136-A139 HydrophobicContact CZ-CB 3.78Å; F136-A139 WeakPolarHBondContact O-CB 3.35Å; F136-A139 PolarHBondContact O-N 2.97Å; F136-F147 HydrophobicContact CD2-CE1 4.26Å; F136-H149 HydrophobicContact CD2-CB 3.82Å; F136-H149 AromaticContact CD2-CG 3.7Å; F136-H149 AromaticContact CD2-ND1 3.55Å; F136-H149 HydrophobicContact CE2-CB 4.36Å
137R96.1Very high95.9Very high43 Ų4328.9 Ų28.916%0.16214%0.142CC..G310 helixtrans-60.9-21.2177.8-59.7178.2-60.21579.3112.7L73 R74 D135 A139 Q140L73-R137 HydrophobicContact CD1-CB 4.01Å; L73-R137 HydrophobicContact CD2-CB 3.86Å; R74-R137 PolarHBondContact O-NH1 3.11Å; R74-R137 PolarHBondContact O-NH2 3.22Å; D135-R137 PolarHBondContact O-N 3.13Å; D135-R137 VanDerWaalsContact OD1-CB 3.29Å; D135-R137 WeakPolarHBondContact OD1-CB 3.44Å; D135-R137 VanDerWaalsContact OD1-CG 3.28Å; D135-R137 WeakPolarHBondContact OD1-CG 3.33Å; D135-R137 IonicContact OD1-CZ 2.64Å; D135-R137 PolarHBondContact OD1-N 2.92Å; D135-R137 IonicContact OD1-NE 3.97Å; D135-R137 PolarHBondContact OD1-NE 3.12Å; D135-R137 IonicContact OD1-NH2 2.79Å; D135-R137 IonicContact OD2-CZ 3.58Å; D135-R137 IonicContact OD2-NE 2.89Å; D135-R137 PolarHBondContact OD2-NE 3.05Å; D135-R137 IonicContact OD2-NH2 3.81Å; D135-R137 PolarHBondContact OD2-NH2 3.19Å; R137-A139 VanDerWaalsContact C-N 3.3Å; R137-Q140 WeakPolarHBondContact O-CG 3.44Å; R137-Q140 PolarHBondContact O-NE2 2.85Å
138Y97.2Very high96.1Very high1 Ų128.3 Ų28.30%0.00414%0.139CC..G310 helixtrans-72.3-20.5173.5-75.6-83.6000113.6P69 L73 P113 L131 D135 F136 Q140 F141 Y142P69-Y138 HydrophobicContact CB-CD1 3.83Å; P69-Y138 HydrophobicContact CB-CE1 3.79Å; P69-Y138 HydrophobicContact CG-CD1 4.43Å; L73-Y138 HydrophobicContact CD1-CD1 4Å; L73-Y138 HydrophobicContact CD1-CD2 4.11Å; L73-Y138 HydrophobicContact CD1-CE1 3.92Å; L73-Y138 HydrophobicContact CD1-CE2 3.97Å; L73-Y138 HydrophobicContact CD1-CG 4.12Å; P113-Y138 HydrophobicContact CB-CD1 4.22Å; P113-Y138 HydrophobicContact CB-CE1 3.46Å; P113-Y138 VanDerWaalsContact CB-CE1 3.46Å; P113-Y138 HydrophobicContact CB-CE2 3.96Å; P113-Y138 WeakPolarHBondContact CB-OH 3.39Å; P113-Y138 HydrophobicContact CG-CE1 4.4Å; P113-Y138 HydrophobicContact CG-CE2 4.21Å; P113-Y138 WeakPolarHBondContact CG-OH 3.4Å; L131-Y138 HydrophobicContact CD2-CD1 4.36Å; L131-Y138 HydrophobicContact CD2-CG 4.22Å; D135-Y138 HydrophobicContact CB-CD2 4.03Å; D135-Y138 HydrophobicContact CB-CE2 4.24Å; D135-Y138 PolarHBondContact O-N 2.88Å; F136-Y138 PolarHBondContact O-N 3.01Å; F136-Y138 VanDerWaalsContact O-N 3.1Å; Y138-Q140 PolarHBondContact O-N 3.36Å; Y138-Q140 VanDerWaalsContact O-N 3.1Å; Y138-F141 PolarHBondContact O-N 3.11Å; Y138-Y142 AromaticContact CD1-CE2 3.78Å; Y138-Y142 HydrophobicContact CD1-CE2 3.78Å; Y138-Y142 HydrophobicContact CG-CE2 4.35Å; Y138-Y142 WeakPolarHBondContact O-CD2 3.44Å
139A96.8Very high96.3Very high0 Ų024.1 Ų24.10%012%0.121CC..G310 helixtrans-59-26.5-178.900000113.3C20 F136 R137 F141 F147C20-A139 HydrophobicContact CB-CB 4.26Å; C20-A139 WeakPolarHBondContact CB-O 3.07Å; F136-A139 HydrophobicContact CD1-CB 4.3Å; F136-A139 HydrophobicContact CD2-CB 4.03Å; F136-A139 HydrophobicContact CE1-CB 4.05Å; F136-A139 HydrophobicContact CE2-CB 3.75Å; F136-A139 HydrophobicContact CG-CB 4.32Å; F136-A139 HydrophobicContact CZ-CB 3.78Å; F136-A139 WeakPolarHBondContact O-CB 3.35Å; F136-A139 PolarHBondContact O-N 2.97Å; R137-A139 VanDerWaalsContact C-N 3.3Å; A139-F141 PolarHBondContact O-N 3.04Å; A139-F147 HydrophobicContact CB-CD1 3.77Å; A139-F147 HydrophobicContact CB-CE1 3.66Å
140Q96.9Very high96.3Very high17 Ų1723.9 Ų23.98%0.07912%0.119CC..G310 helixtrans-78.2-2.1179.276.2-167.4-58.600114.2C20 F24 Q42 I43 L44 R137 Y138C20-Q140 HydrophobicContact CB-CB 4.49Å; F24-Q140 WeakPolarHBondContact CB-O 3.41Å; F24-Q140 WeakPolarHBondContact CD2-O 3.24Å; Q42-Q140 PolarHBondContact O-NE2 2.8Å; Q42-Q140 VanDerWaalsContact O-NE2 3.08Å; I43-Q140 VanDerWaalsContact CA-OE1 3.25Å; L44-Q140 HydrophobicContact CD1-CG 4.22Å; L44-Q140 WeakPolarHBondContact CD1-O 3.5Å; L44-Q140 HydrophobicContact CG-CG 4.36Å; R137-Q140 WeakPolarHBondContact O-CG 3.44Å; R137-Q140 PolarHBondContact O-NE2 2.85Å; Y138-Q140 PolarHBondContact O-N 3.36Å; Y138-Q140 VanDerWaalsContact O-N 3.1Å
141F96.7Very high96.2Very high7 Ų725.8 Ų25.83%0.03113%0.129CC..THydrogen-bonded Turntrans-118.8-6.8-177.5-60.1-82.7000113.8F37 L44 L66 P69 L72 L73 Y138 A139F37-F141 HydrophobicContact CE2-CZ 4.33Å; L44-F141 HydrophobicContact CD1-CD1 4.02Å; L44-F141 HydrophobicContact CD1-CE1 3.79Å; L44-F141 HydrophobicContact CD1-CZ 4.37Å; L44-F141 HydrophobicContact CD2-CE1 3.86Å; L44-F141 HydrophobicContact CD2-CZ 4.29Å; L44-F141 HydrophobicContact CG-CE1 3.93Å; L44-F141 HydrophobicContact CG-CZ 4.16Å; L66-F141 HydrophobicContact CD2-CD1 4.32Å; L66-F141 HydrophobicContact CD2-CE1 4.23Å; P69-F141 HydrophobicContact CB-CB 4.15Å; P69-F141 HydrophobicContact CB-CD1 4.07Å; P69-F141 HydrophobicContact CB-CD2 3.6Å; P69-F141 HydrophobicContact CB-CE1 4.34Å; P69-F141 HydrophobicContact CB-CE2 3.92Å; P69-F141 HydrophobicContact CB-CG 3.69Å; P69-F141 HydrophobicContact CB-CZ 4.28Å; P69-F141 HydrophobicContact CG-CB 3.41Å; P69-F141 VanDerWaalsContact CG-CB 3.41Å; P69-F141 HydrophobicContact CG-CD1 3.77Å; P69-F141 HydrophobicContact CG-CD2 3.86Å; P69-F141 HydrophobicContact CG-CE1 4.47Å; P69-F141 HydrophobicContact CG-CG 3.42Å; P69-F141 VanDerWaalsContact CG-CG 3.42Å; L72-F141 HydrophobicContact CD1-CE1 3.84Å; L72-F141 HydrophobicContact CD1-CZ 4.24Å; L73-F141 HydrophobicContact CD1-CD2 4.42Å; L73-F141 HydrophobicContact CD1-CE2 3.89Å; L73-F141 HydrophobicContact CD2-CE2 4.08Å; L73-F141 HydrophobicContact CG-CE2 3.98Å; L73-F141 HydrophobicContact CG-CZ 4.47Å; Y138-F141 PolarHBondContact O-N 3.11Å; A139-F141 PolarHBondContact O-N 3.04Å
142Y95.6Very high96.1Very high12 Ų1226.3 Ų26.35%0.04713%0.132CC..SBendtrans-130.9150.1-172.2-66.6-57000110.5P69 Q116 E117 L131 Y138 E146 F147P69-Y142 HydrophobicContact CG-CE2 4.5Å; Q116-Y142 HydrophobicContact CG-CE1 3.9Å; Q116-Y142 HydrophobicContact CG-CE2 4.29Å; E117-Y142 WeakPolarHBondContact CG-OH 3.3Å; L131-Y142 HydrophobicContact CD2-CD2 4.32Å; L131-Y142 HydrophobicContact CD2-CE2 3.79Å; Y138-Y142 AromaticContact CD1-CE2 3.78Å; Y138-Y142 HydrophobicContact CD1-CE2 3.78Å; Y138-Y142 HydrophobicContact CG-CE2 4.35Å; Y138-Y142 WeakPolarHBondContact O-CD2 3.44Å; Y142-E146 HydrophobicContact CD1-CB 4.32Å; Y142-E146 HydrophobicContact CG-CB 4.39Å; Y142-F147 HydrophobicContact CD2-CB 4.23Å; Y142-F147 HydrophobicContact CG-CB 4.36Å
143S92.9Very high95.9Very high45 Ų4529.6 Ų29.632%0.31515%0.146SC..  trans-71173.6173.178.90000111.8D145 E146 F147S143-D145 PolarHBondContact O-N 3.44Å; S143-D145 PolarHBondContact OG-N 3.13Å; S143-E146 PolarHBondContact N-OE2 3.27Å; S143-E146 PolarHBondContact O-N 3.27Å; S143-E146 VanDerWaalsContact O-N 3.16Å; S143-E146 VanDerWaalsContact OG-CG 3.31Å; S143-E146 WeakPolarHBondContact OG-CG 3.35Å; S143-E146 PolarHBondContact OG-OE2 3.34Å; S143-F147 PolarHBondContact O-N 3Å
144Q90Very high95.8Very high90 Ų9033.7 Ų33.742%0.42117%0.168SC..THydrogen-bonded Turntrans-62-28.7177.5-65-171.8-14.600113.2Q17 C21 E146Q17-Q144 HydrophobicContact CG-CG 4.5Å; C21-Q144 VanDerWaalsContact SG-CG 3.56Å; Q144-E146 VanDerWaalsContact C-N 3.33Å
145D93.3Very high95.9Very high114 Ų11432.2 Ų32.261%0.6116%0.16SC*.THydrogen-bonded Turntrans-88.5-2.2-179.4-56.3-43.3000113.1S143S143-D145 PolarHBondContact O-N 3.44Å; S143-D145 PolarHBondContact OG-N 3.13Å
146E95.7Very high96Very high41 Ų4136 Ų3619%0.19218%0.177CC..THydrogen-bonded Turntrans-114.4-14.8-174.9-70.5175.9154.100113.1Q116 K120 L131 Y142 S143 Q144Q116-E146 PolarHBondContact NE2-O 2.91Å; K120-E146 VanDerWaalsContact CE-OE1 3.3Å; K120-E146 WeakPolarHBondContact CE-OE1 3.37Å; K120-E146 IonicContact NZ-OE1 3.19Å; K120-E146 PolarHBondContact NZ-OE1 2.7Å; L131-E146 PolarHBondContact N-O 3.49Å; Y142-E146 HydrophobicContact CD1-CB 4.32Å; Y142-E146 HydrophobicContact CG-CB 4.39Å; S143-E146 PolarHBondContact N-OE2 3.27Å; S143-E146 PolarHBondContact O-N 3.27Å; S143-E146 VanDerWaalsContact O-N 3.16Å; S143-E146 VanDerWaalsContact OG-CG 3.31Å; S143-E146 WeakPolarHBondContact OG-CG 3.35Å; S143-E146 PolarHBondContact OG-OE2 3.34Å; Q144-E146 VanDerWaalsContact C-N 3.33Å
147F97.9Very high96.1Very high0 Ų034.5 Ų34.50%017%0.171CC..EExtended strand (participates in β ladder)trans-141.9140.9179.8176.9-98000111.9Q17 L131 D133 F136 A139 Y142 S143 H149Q17-F147 PolarHBondContact NE2-O 3.44Å; L131-F147 HydrophobicContact CB-CD2 4.2Å; L131-F147 HydrophobicContact CD2-CD2 3.96Å; L131-F147 HydrophobicContact CD2-CE2 4.33Å; L131-F147 HydrophobicContact CG-CD2 3.99Å; L131-F147 HydrophobicContact CG-CE2 4.4Å; L131-F147 CarbonylContact O-C 3.29Å; L131-F147 VanDerWaalsContact O-CA 3.32Å; L131-F147 WeakPolarHBondContact O-CA 3.36Å; D133-F147 HydrophobicContact CB-CE2 3.93Å; F136-F147 HydrophobicContact CD2-CE1 4.26Å; A139-F147 HydrophobicContact CB-CD1 3.77Å; A139-F147 HydrophobicContact CB-CE1 3.66Å; Y142-F147 HydrophobicContact CD2-CB 4.23Å; Y142-F147 HydrophobicContact CG-CB 4.36Å; S143-F147 PolarHBondContact O-N 3Å; F147-H149 HydrophobicContact CE1-CB 4.05Å; F147-H149 HydrophobicContact CZ-CB 4.39Å
148C98Very high96Very high0 Ų037.3 Ų37.30%018%0.184CC..EExtended strand (participates in β ladder)trans-133.1129.5166.5-76.50000109.8L131 L132 D133 Y150 F157L131-C148 PolarHBondContact O-N 3.11Å; L132-C148 HydrophobicContact CD2-CB 3.57Å; D133-C148 PolarHBondContact N-O 3.18Å; C148-Y150 PolarHBondContact O-N 2.98Å; C148-Y150 VanDerWaalsContact O-N 3.12Å; C148-F157 HydrophobicContact CB-CD1 4.29Å; C148-F157 HydrophobicContact CB-CE1 4.29Å
149H97.4Very high95.8Very high21 Ų2139 Ų3910%0.09720%0.202CC..EExtended strand (participates in β ladder)trans-69.7110.4171.6-172.5-163.9000109.2D133 I134 F136 F147 F158D133-H149 WeakPolarHBondContact O-CA 3.36Å; I134-H149 PolarHBondContact O-NE2 3.25Å; F136-H149 HydrophobicContact CD2-CB 3.82Å; F136-H149 AromaticContact CD2-CG 3.7Å; F136-H149 AromaticContact CD2-ND1 3.55Å; F136-H149 HydrophobicContact CE2-CB 4.36Å; F147-H149 HydrophobicContact CE1-CB 4.05Å; F147-H149 HydrophobicContact CZ-CB 4.39Å; H149-F158 HydrophobicContact CB-CB 4.03Å; H149-F158 HydrophobicContact CB-CD2 4.29Å; H149-F158 AromaticContact CD2-CD2 3.57Å; H149-F158 AromaticContact CD2-CE2 3.9Å; H149-F158 AromaticContact CE1-CD1 3.77Å; H149-F158 AromaticContact CE1-CD2 3.59Å; H149-F158 AromaticContact CE1-CE2 3.9Å; H149-F158 AromaticContact CE1-CG 3.51Å; H149-F158 AromaticContact CG-CD2 3.56Å; H149-F158 AromaticContact CG-CG 3.8Å; H149-F158 VanDerWaalsContact ND1-CB 3.35Å; H149-F158 WeakPolarHBondContact ND1-CB 3.46Å; H149-F158 AromaticContact ND1-CD1 3.99Å; H149-F158 AromaticContact ND1-CD2 3.59Å; H149-F158 AromaticContact ND1-CG 3.37Å; H149-F158 WeakPolarHBondContact ND1-CG 3.37Å; H149-F158 AromaticContact NE2-CD2 3.58Å; H149-F158 AromaticContact NE2-CE2 3.6Å; H149-F158 WeakPolarHBondContact O-CD2 3.47Å; H149-F158 PolarHBondContact O-N 3.47Å
150Y97.8Very high95.7Very high1 Ų140.5 Ų40.50%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-140.2138.9-164.2174.8-106.6000112.1V110 L132 D133 I134 C148 M152 H155 H156 F157V110-Y150 HydrophobicContact CG1-CE1 4.17Å; L132-Y150 HydrophobicContact CB-CD1 3.61Å; L132-Y150 HydrophobicContact CB-CE1 4.38Å; L132-Y150 HydrophobicContact CB-CG 3.93Å; L132-Y150 HydrophobicContact CD1-CD1 4.1Å; L132-Y150 HydrophobicContact CD1-CE1 4.22Å; L132-Y150 HydrophobicContact CD1-CG 4.28Å; L132-Y150 HydrophobicContact CG-CD1 4.47Å; D133-Y150 CarbonylContact C-O 3.59Å; D133-Y150 VanDerWaalsContact C-O 3.24Å; D133-Y150 PolarHBondContact O-N 2.61Å; I134-Y150 WeakPolarHBondContact CA-O 3.33Å; I134-Y150 PolarHBondContact N-O 2.76Å; C148-Y150 PolarHBondContact O-N 2.98Å; C148-Y150 VanDerWaalsContact O-N 3.12Å; Y150-M152 HydrophobicContact CD1-CB 4.33Å; Y150-M152 HydrophobicContact CE1-CB 3.75Å; Y150-H155 HydrophobicContact CE2-CB 4.49Å; Y150-H155 AromaticContact CE2-ND1 3.93Å; Y150-H155 AromaticContact CZ-ND1 3.91Å; Y150-H155 WeakPolarHBondContact OH-CA 3.44Å; Y150-H155 PolarHBondContact OH-ND1 2.99Å; Y150-H156 WeakPolarHBondContact CA-O 3.35Å; Y150-H156 WeakPolarHBondContact CD2-O 3.41Å; Y150-F157 AromaticContact CD2-CD1 3.87Å; Y150-F157 HydrophobicContact CD2-CD1 3.87Å; Y150-F157 AromaticContact CD2-CD2 3.94Å; Y150-F157 HydrophobicContact CD2-CD2 3.94Å; Y150-F157 AromaticContact CD2-CE1 3.56Å; Y150-F157 HydrophobicContact CD2-CE1 3.56Å; Y150-F157 AromaticContact CD2-CE2 3.62Å; Y150-F157 HydrophobicContact CD2-CE2 3.62Å; Y150-F157 HydrophobicContact CD2-CG 4.05Å; Y150-F157 AromaticContact CD2-CZ 3.38Å; Y150-F157 HydrophobicContact CD2-CZ 3.38Å; Y150-F157 HydrophobicContact CE2-CD2 4.1Å; Y150-F157 HydrophobicContact CE2-CE1 4.17Å; Y150-F157 AromaticContact CE2-CE2 3.48Å; Y150-F157 HydrophobicContact CE2-CE2 3.48Å; Y150-F157 VanDerWaalsContact CE2-CE2 3.48Å; Y150-F157 AromaticContact CE2-CZ 3.49Å; Y150-F157 HydrophobicContact CE2-CZ 3.49Å; Y150-F157 VanDerWaalsContact CE2-CZ 3.49Å; Y150-F157 HydrophobicContact CG-CE1 4.25Å; Y150-F157 HydrophobicContact CG-CZ 4.35Å
151N96.5Very high95.6Very high39 Ų3945.8 Ų45.821%0.20924%0.242CC..EExtended strand (participates in β ladder)trans-107.5108.9171.6-174.5-18.1000110.9I134 F153 N154 H155 H156 F158I134-N151 HydrophobicContact CD1-CB 3.85Å; N151-F153 VanDerWaalsContact C-N 3.27Å; N151-F153 PolarHBondContact O-N 3.38Å; N151-F153 WeakPolarHBondContact OD1-CB 3.25Å; N151-F153 PolarHBondContact OD1-N 3.12Å; N151-N154 WeakPolarHBondContact CB-OD1 3.5Å; N151-N154 PolarHBondContact O-N 3.48Å; N151-N154 PolarHBondContact O-OD1 3.48Å; N151-H155 WeakPolarHBondContact O-CA 3.36Å; N151-H155 PolarHBondContact O-N 3.32Å; N151-H156 HydrophobicContact CB-CB 4.31Å; N151-H156 PolarHBondContact N-O 3.49Å; N151-H156 PolarHBondContact O-N 3Å; N151-F158 HydrophobicContact CB-CE2 4.04Å
152M95.8Very high95.5Very high12 Ų1248.8 Ų48.86%0.05927%0.269CS..THydrogen-bonded Turntrans-67.3-16.5-179.964.4179.468.900115.3V110 Y150 P185 P186 L194 S197V110-M152 HydrophobicContact CG1-CB 4.32Å; V110-M152 HydrophobicContact CG1-CE 4.24Å; Y150-M152 HydrophobicContact CD1-CB 4.33Å; Y150-M152 HydrophobicContact CE1-CB 3.75Å; M152-P185 VanDerWaalsContact SD-CA 3.54Å; M152-P185 HydrophobicContact SD-CB 3.35Å; M152-P185 WeakPolarHBondContact SD-CB 3.22Å; M152-P186 WeakPolarHBondContact SD-CD 3.47Å; M152-L194 HydrophobicContact CB-CD2 4.22Å; M152-L194 HydrophobicContact CG-CD2 3.72Å; M152-L194 HydrophobicContact SD-CD2 3.79Å; M152-S197 WeakPolarHBondContact O-CB 3.47Å; M152-S197 PolarHBondContact O-OG 3.37Å
153F94.9Very high95.5Very high69 Ų6948.6 Ų48.630%0.30327%0.269SS..THydrogen-bonded Turntrans-81.6-23.4179.7-74.5-75.7000113.7N151 P186 G189 P193 L194N151-F153 VanDerWaalsContact C-N 3.27Å; N151-F153 PolarHBondContact O-N 3.38Å; N151-F153 WeakPolarHBondContact OD1-CB 3.25Å; N151-F153 PolarHBondContact OD1-N 3.12Å; F153-P186 HydrophobicContact CE2-CG 4.15Å; F153-P186 HydrophobicContact CZ-CB 4.32Å; F153-P186 HydrophobicContact CZ-CG 4.33Å; F153-G189 VanDerWaalsContact CE1-CA 3.46Å; F153-P193 HydrophobicContact CD1-CB 4.38Å; F153-P193 WeakPolarHBondContact O-CB 3.34Å; F153-L194 HydrophobicContact CD1-CD2 3.92Å; F153-L194 HydrophobicContact CD1-CG 4.05Å; F153-L194 HydrophobicContact CE1-CD1 4.01Å; F153-L194 HydrophobicContact CE1-CD2 3.73Å; F153-L194 HydrophobicContact CE1-CG 3.73Å; F153-L194 HydrophobicContact CG-CD2 4.42Å; F153-L194 HydrophobicContact CZ-CD1 4.49Å; F153-L194 HydrophobicContact CZ-CD2 4.09Å; F153-L194 HydrophobicContact CZ-CG 4.44Å
154N96.1Very high95.6Very high97 Ų9751 Ų5152%0.51927%0.271SS..THydrogen-bonded Turntrans-133.810.8-176.465.5-3.1000113.1N151 H156N151-N154 WeakPolarHBondContact CB-OD1 3.5Å; N151-N154 PolarHBondContact O-N 3.48Å; N151-N154 PolarHBondContact O-OD1 3.48Å; N154-H156 PolarHBondContact O-N 2.89Å; N154-H156 WeakPolarHBondContact OD1-CB 3.38Å; N154-H156 PolarHBondContact OD1-N 3.37Å
155H97.8Very high95.9Very high27 Ų2749.6 Ų49.613%0.12528%0.275CS..THydrogen-bonded Turntrans5436.1-179.1-167.783.1000112.9Y150 N151 F157 S197 L200Y150-H155 HydrophobicContact CE2-CB 4.49Å; Y150-H155 AromaticContact CE2-ND1 3.93Å; Y150-H155 AromaticContact CZ-ND1 3.91Å; Y150-H155 WeakPolarHBondContact OH-CA 3.44Å; Y150-H155 PolarHBondContact OH-ND1 2.99Å; N151-H155 WeakPolarHBondContact O-CA 3.36Å; N151-H155 PolarHBondContact O-N 3.32Å; H155-F157 AromaticContact CE1-CE2 4Å; H155-F157 AromaticContact NE2-CE2 3.88Å; H155-S197 PolarHBondContact N-OG 3.47Å; H155-L200 HydrophobicContact CB-CD1 3.81Å
156H97.4Very high96.1Very high85 Ų8545.6 Ų45.639%0.39425%0.254SS..EExtended strand (participates in β ladder)trans-93.7129.6-178.1-176.370.9000111.9Y150 N151 N154Y150-H156 WeakPolarHBondContact CA-O 3.35Å; Y150-H156 WeakPolarHBondContact CD2-O 3.41Å; N151-H156 HydrophobicContact CB-CB 4.31Å; N151-H156 PolarHBondContact N-O 3.49Å; N151-H156 PolarHBondContact O-N 3Å; N154-H156 PolarHBondContact O-N 2.89Å; N154-H156 WeakPolarHBondContact OD1-CB 3.38Å; N154-H156 PolarHBondContact OD1-N 3.37Å
157F97.1Very high96.2Very high4 Ų443.8 Ų43.82%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-101.9118.4172.4-71.5-91.1000109.6L132 C148 Y150 H155 G159 G160 R164 L167L132-F157 HydrophobicContact CD1-CE1 4.5Å; L132-F157 HydrophobicContact CD1-CZ 4.38Å; L132-F157 HydrophobicContact CD2-CE1 4.09Å; C148-F157 HydrophobicContact CB-CD1 4.29Å; C148-F157 HydrophobicContact CB-CE1 4.29Å; Y150-F157 AromaticContact CD2-CD1 3.87Å; Y150-F157 HydrophobicContact CD2-CD1 3.87Å; Y150-F157 AromaticContact CD2-CD2 3.94Å; Y150-F157 HydrophobicContact CD2-CD2 3.94Å; Y150-F157 AromaticContact CD2-CE1 3.56Å; Y150-F157 HydrophobicContact CD2-CE1 3.56Å; Y150-F157 AromaticContact CD2-CE2 3.62Å; Y150-F157 HydrophobicContact CD2-CE2 3.62Å; Y150-F157 HydrophobicContact CD2-CG 4.05Å; Y150-F157 AromaticContact CD2-CZ 3.38Å; Y150-F157 HydrophobicContact CD2-CZ 3.38Å; Y150-F157 HydrophobicContact CE2-CD2 4.1Å; Y150-F157 HydrophobicContact CE2-CE1 4.17Å; Y150-F157 AromaticContact CE2-CE2 3.48Å; Y150-F157 HydrophobicContact CE2-CE2 3.48Å; Y150-F157 VanDerWaalsContact CE2-CE2 3.48Å; Y150-F157 AromaticContact CE2-CZ 3.49Å; Y150-F157 HydrophobicContact CE2-CZ 3.49Å; Y150-F157 VanDerWaalsContact CE2-CZ 3.49Å; Y150-F157 HydrophobicContact CG-CE1 4.25Å; Y150-F157 HydrophobicContact CG-CZ 4.35Å; H155-F157 AromaticContact CE1-CE2 4Å; H155-F157 AromaticContact NE2-CE2 3.88Å; F157-G159 VanDerWaalsContact C-N 3.28Å; F157-G159 PolarHBondContact O-N 2.68Å; F157-G160 PolarHBondContact O-N 2.87Å; F157-G160 VanDerWaalsContact O-N 3.1Å; F157-R164 HydrophobicContact CB-CG 4.3Å; F157-R164 HydrophobicContact CD2-CG 3.75Å; F157-R164 HydrophobicContact CE2-CG 4.31Å; F157-R164 HydrophobicContact CG-CG 4.01Å; F157-L167 HydrophobicContact CE2-CD2 4.39Å; F157-L167 HydrophobicContact CZ-CB 4.45Å; F157-L167 HydrophobicContact CZ-CD2 3.79Å
158F94.8Very high96.1Very high101 Ų10146.8 Ų46.844%0.44326%0.262SS..THydrogen-bonded Turntrans-72.8-24-178.1-69.6-96.7000112.6I134 H149 N151 G160I134-F158 HydrophobicContact CD1-CE2 3.52Å; I134-F158 HydrophobicContact CD1-CZ 3.83Å; H149-F158 HydrophobicContact CB-CB 4.03Å; H149-F158 HydrophobicContact CB-CD2 4.29Å; H149-F158 AromaticContact CD2-CD2 3.57Å; H149-F158 AromaticContact CD2-CE2 3.9Å; H149-F158 AromaticContact CE1-CD1 3.77Å; H149-F158 AromaticContact CE1-CD2 3.59Å; H149-F158 AromaticContact CE1-CE2 3.9Å; H149-F158 AromaticContact CE1-CG 3.51Å; H149-F158 AromaticContact CG-CD2 3.56Å; H149-F158 AromaticContact CG-CG 3.8Å; H149-F158 VanDerWaalsContact ND1-CB 3.35Å; H149-F158 WeakPolarHBondContact ND1-CB 3.46Å; H149-F158 AromaticContact ND1-CD1 3.99Å; H149-F158 AromaticContact ND1-CD2 3.59Å; H149-F158 AromaticContact ND1-CG 3.37Å; H149-F158 WeakPolarHBondContact ND1-CG 3.37Å; H149-F158 AromaticContact NE2-CD2 3.58Å; H149-F158 AromaticContact NE2-CE2 3.6Å; H149-F158 WeakPolarHBondContact O-CD2 3.47Å; H149-F158 PolarHBondContact O-N 3.47Å; N151-F158 HydrophobicContact CB-CE2 4.04Å; F158-G160 PolarHBondContact O-N 3.31Å
159G92.5Very high95.9Very high37 Ų3749 Ų4938%0.38129%0.285SS..THydrogen-bonded Turntrans-81.96.3170.200000114.2F157 S163F157-G159 VanDerWaalsContact C-N 3.28Å; F157-G159 PolarHBondContact O-N 2.68Å; G159-S163 WeakPolarHBondContact CA-OG 3.35Å
160G94.6Very high95.9Very high31 Ų3148.9 Ų48.932%0.3228%0.284SS..Hα-helixtrans63.1-140.8176.900000113.2F157 F158 A162 S163 R164F157-G160 PolarHBondContact O-N 2.87Å; F157-G160 VanDerWaalsContact O-N 3.1Å; F158-G160 PolarHBondContact O-N 3.31Å; G160-A162 VanDerWaalsContact C-N 3.28Å; G160-A162 PolarHBondContact O-N 2.7Å; G160-S163 PolarHBondContact O-N 2.86Å; G160-R164 PolarHBondContact O-N 2.85Å
161E95.1Very high95.8Very high128 Ų12848.9 Ų48.960%0.59828%0.284SS*.Hα-helixtrans-62.6-30.9-177.4-66.5-52.1127.500113.4S163 R164 A165E161-S163 PolarHBondContact O-N 2.96Å; E161-R164 WeakPolarHBondContact O-CB 3.24Å; E161-R164 PolarHBondContact O-N 3.02Å; E161-R164 WeakPolarHBondContact OE1-CD 3.48Å; E161-R164 IonicContact OE1-CZ 3.51Å; E161-R164 IonicContact OE1-NE 3.51Å; E161-R164 IonicContact OE1-NH1 3.64Å; E161-R164 PolarHBondContact OE1-NH1 3.43Å; E161-A165 WeakPolarHBondContact O-CB 3.49Å; E161-A165 PolarHBondContact O-N 2.93Å
162A93.9Very high95.6Very high71 Ų7149.2 Ų49.259%0.58729%0.29SS*.Hα-helixtrans-62.5-46.5177.700000111.6G160 R164 A165 V166G160-A162 VanDerWaalsContact C-N 3.28Å; G160-A162 PolarHBondContact O-N 2.7Å; A162-R164 VanDerWaalsContact C-N 3.3Å; A162-R164 PolarHBondContact O-N 2.71Å; A162-A165 PolarHBondContact O-N 3.12Å; A162-V166 WeakPolarHBondContact O-CG2 3.11Å; A162-V166 PolarHBondContact O-N 3.45Å; A162-V166 VanDerWaalsContact O-N 3.12Å
163S95Very high94.9Very high7 Ų751.3 Ų51.35%0.04930%0.299CS..Hα-helixtrans-68.4-28.8175.8-60.70000113G159 G160 E161 L167G159-S163 WeakPolarHBondContact CA-OG 3.35Å; G160-S163 PolarHBondContact O-N 2.86Å; E161-S163 PolarHBondContact O-N 2.96Å; S163-L167 PolarHBondContact O-N 2.86Å; S163-L167 VanDerWaalsContact O-N 3.16Å
164R95.9Very high94.2Very high96 Ų9651 Ų5136%0.36231%0.309SS..Hα-helixtrans-68.1-43.5173-71.1175.1172.1177.3-5.4111.3F157 G160 E161 A162 V166 L167 D168F157-R164 HydrophobicContact CB-CG 4.3Å; F157-R164 HydrophobicContact CD2-CG 3.75Å; F157-R164 HydrophobicContact CE2-CG 4.31Å; F157-R164 HydrophobicContact CG-CG 4.01Å; G160-R164 PolarHBondContact O-N 2.85Å; E161-R164 WeakPolarHBondContact O-CB 3.24Å; E161-R164 PolarHBondContact O-N 3.02Å; E161-R164 WeakPolarHBondContact OE1-CD 3.48Å; E161-R164 IonicContact OE1-CZ 3.51Å; E161-R164 IonicContact OE1-NE 3.51Å; E161-R164 IonicContact OE1-NH1 3.64Å; E161-R164 PolarHBondContact OE1-NH1 3.43Å; A162-R164 VanDerWaalsContact C-N 3.3Å; A162-R164 PolarHBondContact O-N 2.71Å; R164-V166 VanDerWaalsContact C-N 3.28Å; R164-V166 PolarHBondContact O-N 3.41Å; R164-L167 WeakPolarHBondContact O-CA 3.3Å; R164-L167 WeakPolarHBondContact O-CB 3.24Å; R164-L167 PolarHBondContact O-N 2.85Å; R164-L167 VanDerWaalsContact O-N 3.08Å; R164-D168 PolarHBondContact O-N 2.93Å
165A96.3Very high93.2Very high61 Ų6154.5 Ų54.550%0.50433%0.328SS..Hα-helixtrans-60.7-37.8175.500000112.2E161 A162 D168 G169E161-A165 WeakPolarHBondContact O-CB 3.49Å; E161-A165 PolarHBondContact O-N 2.93Å; A162-A165 PolarHBondContact O-N 3.12Å; A165-D168 PolarHBondContact O-N 3.44Å; A165-G169 PolarHBondContact O-N 3.09Å
166V96.9Very high91.9Very high30 Ų3056 Ų5618%0.18235%0.351CS..Hα-helixtrans-61.1-45.3172.3172.80000111.2L130 A162 R164 F170L130-V166 HydrophobicContact CD1-CG1 3.96Å; L130-V166 HydrophobicContact CD2-CG1 4.13Å; A162-V166 WeakPolarHBondContact O-CG2 3.11Å; A162-V166 PolarHBondContact O-N 3.45Å; A162-V166 VanDerWaalsContact O-N 3.12Å; R164-V166 VanDerWaalsContact C-N 3.28Å; R164-V166 PolarHBondContact O-N 3.41Å; V166-F170 WeakPolarHBondContact O-CB 3.38Å; V166-F170 PolarHBondContact O-N 2.85Å
167L97.7Very high91.2Very high3 Ų354.6 Ų54.62%0.01634%0.344CS..Hα-helixtrans-60.4-47.8174.617970000111.4L108 L130 L132 F157 S163 R164 G169 F170 L171L108-L167 HydrophobicContact CD1-CD1 3.8Å; L108-L167 HydrophobicContact CD2-CD1 3.89Å; L130-L167 HydrophobicContact CD2-CD1 4.19Å; L132-L167 HydrophobicContact CD1-CD1 4.19Å; F157-L167 HydrophobicContact CE2-CD2 4.39Å; F157-L167 HydrophobicContact CZ-CB 4.45Å; F157-L167 HydrophobicContact CZ-CD2 3.79Å; S163-L167 PolarHBondContact O-N 2.86Å; S163-L167 VanDerWaalsContact O-N 3.16Å; R164-L167 WeakPolarHBondContact O-CA 3.3Å; R164-L167 WeakPolarHBondContact O-CB 3.24Å; R164-L167 PolarHBondContact O-N 2.85Å; R164-L167 VanDerWaalsContact O-N 3.08Å; L167-G169 PolarHBondContact O-N 3.35Å; L167-F170 CarbonylContact O-C 3.59Å; L167-F170 WeakPolarHBondContact O-CA 3.36Å; L167-F170 WeakPolarHBondContact O-CB 2.84Å; L167-F170 PolarHBondContact O-N 2.85Å; L167-F170 VanDerWaalsContact O-N 3.09Å; L167-L171 HydrophobicContact CD1-CD1 3.97Å; L167-L171 HydrophobicContact CD1-CD2 4.46Å; L167-L171 HydrophobicContact CD1-CG 3.96Å; L167-L171 HydrophobicContact CD2-CD1 4.08Å; L167-L171 HydrophobicContact CG-CD1 3.74Å; L167-L171 HydrophobicContact CG-CG 4.09Å; L167-L171 WeakPolarHBondContact O-CB 3.47Å; L167-L171 WeakPolarHBondContact O-CG 3.36Å; L167-L171 PolarHBondContact O-N 2.91Å
168D96Very high90.9Very high62 Ų6259.5 Ų59.533%0.33237%0.367SS..Hα-helixtrans-63.3-43.1-176.8-67.8-5.8000111.3R164 A165 F170 L171 S172 T204 L208R164-D168 PolarHBondContact O-N 2.93Å; A165-D168 PolarHBondContact O-N 3.44Å; D168-F170 VanDerWaalsContact C-N 3.31Å; D168-F170 PolarHBondContact O-N 3.18Å; D168-L171 PolarHBondContact O-N 3.17Å; D168-S172 PolarHBondContact O-N 2.82Å; D168-S172 PolarHBondContact O-OG 2.91Å; D168-T204 WeakPolarHBondContact OD1-CG2 3.36Å; D168-L208 HydrophobicContact CB-CD1 4.26Å; D168-L208 VanDerWaalsContact O-CD1 3.29Å; D168-L208 WeakPolarHBondContact O-CD1 3.39Å
169G95.4Very high91Very high47 Ų4754.7 Ų54.749%0.48535%0.346SS..Hα-helixtrans-61.7-38.6171.800000112.4A165 L167A165-G169 PolarHBondContact O-N 3.09Å; L167-G169 PolarHBondContact O-N 3.35Å
170F96.5Very high91.2Very high19 Ų1952.9 Ų52.98%0.08333%0.328CS..Hα-helixtrans-70.2-33174.9-169.8-88000113K106 V107 L108 K128 L130 V166 L167 D168 V179K106-F170 HydrophobicContact CB-CE1 4.18Å; K106-F170 HydrophobicContact CB-CZ 3.9Å; K106-F170 WeakPolarHBondContact CE-O 3.19Å; K106-F170 PolarHBondContact NZ-O 2.69Å; V107-F170 WeakPolarHBondContact O-CZ 3.27Å; L108-F170 HydrophobicContact CB-CD1 4.36Å; L108-F170 HydrophobicContact CB-CE1 3.88Å; L108-F170 HydrophobicContact CD1-CD1 4.18Å; L108-F170 HydrophobicContact CD1-CE1 4.34Å; K128-F170 HydrophobicContact CB-CE2 4.06Å; L130-F170 HydrophobicContact CB-CB 4.5Å; L130-F170 HydrophobicContact CB-CD1 4.1Å; L130-F170 HydrophobicContact CB-CD2 3.6Å; L130-F170 HydrophobicContact CB-CE1 4.24Å; L130-F170 HydrophobicContact CB-CE2 3.73Å; L130-F170 HydrophobicContact CB-CG 3.79Å; L130-F170 HydrophobicContact CB-CZ 4.05Å; L130-F170 HydrophobicContact CD2-CB 3.75Å; L130-F170 HydrophobicContact CD2-CD1 4.34Å; L130-F170 HydrophobicContact CD2-CD2 4.4Å; L130-F170 HydrophobicContact CD2-CG 3.9Å; V166-F170 WeakPolarHBondContact O-CB 3.38Å; V166-F170 PolarHBondContact O-N 2.85Å; L167-F170 CarbonylContact O-C 3.59Å; L167-F170 WeakPolarHBondContact O-CA 3.36Å; L167-F170 WeakPolarHBondContact O-CB 2.84Å; L167-F170 PolarHBondContact O-N 2.85Å; L167-F170 VanDerWaalsContact O-N 3.09Å; D168-F170 VanDerWaalsContact C-N 3.31Å; D168-F170 PolarHBondContact O-N 3.18Å; F170-V179 HydrophobicContact CE1-CG1 4.1Å
171L95.3Very high91.4Very high0 Ų051.5 Ų51.50%031%0.313CS..Hα-helixtrans-80.7-19.8179-70.9178.5000113.1L108 L167 D168 E173 V179 I201 T204 W205 L208 I218L108-L171 HydrophobicContact CD2-CD2 4.15Å; L167-L171 HydrophobicContact CD1-CD1 3.97Å; L167-L171 HydrophobicContact CD1-CD2 4.46Å; L167-L171 HydrophobicContact CD1-CG 3.96Å; L167-L171 HydrophobicContact CD2-CD1 4.08Å; L167-L171 HydrophobicContact CG-CD1 3.74Å; L167-L171 HydrophobicContact CG-CG 4.09Å; L167-L171 WeakPolarHBondContact O-CB 3.47Å; L167-L171 WeakPolarHBondContact O-CG 3.36Å; L167-L171 PolarHBondContact O-N 2.91Å; D168-L171 PolarHBondContact O-N 3.17Å; L171-E173 PolarHBondContact O-N 2.85Å; L171-V179 HydrophobicContact CD2-CG1 4.12Å; L171-I201 HydrophobicContact CD1-CG2 4.14Å; L171-I201 HydrophobicContact CD2-CG2 4.36Å; L171-T204 HydrophobicContact CD1-CG2 3.79Å; L171-W205 HydrophobicContact CB-CB 4.46Å; L171-W205 HydrophobicContact CD1-CB 4.27Å; L171-W205 HydrophobicContact CD2-CB 4.31Å; L171-L208 HydrophobicContact CB-CD1 3.67Å; L171-I218 HydrophobicContact CD2-CD1 3.85Å
172S91.6Very high91.6Very high47 Ų4745.4 Ų45.433%0.32928%0.284SS..PPolyproline II helixtrans-63.3124.8175.5-61.30000110.3K106 D168K106-S172 PolarHBondContact NZ-O 3.32Å; D168-S172 PolarHBondContact O-N 2.82Å; D168-S172 PolarHBondContact O-OG 2.91Å
173E82.9Confident91.8Very high56 Ų5642 Ų4226%0.26226%0.256SS..PPolyproline II helixtrans-100.3131.1-179-63.4-173.615500110.1L171 V179 W205 R209L171-E173 PolarHBondContact O-N 2.85Å; E173-V179 HydrophobicContact CG-CG2 3.9Å; E173-V179 PolarHBondContact OE1-N 3.44Å; E173-W205 VanDerWaalsContact CD-NE1 3.28Å; E173-W205 PolarHBondContact OE1-NE1 2.79Å; E173-R209 WeakPolarHBondContact OE2-CD 3.47Å; E173-R209 IonicContact OE2-NE 2.75Å; E173-R209 PolarHBondContact OE2-NE 3.2Å
174A79.6Confident91.9Very high61 Ų6142.4 Ų42.450%0.50426%0.258SS..PPolyproline II helixtrans-100.6170.3161.600000109.4G176 E177A174-G176 PolarHBondContact O-N 3.08Å; A174-G176 VanDerWaalsContact O-N 3.1Å; A174-E177 HydrophobicContact CB-CG 4.29Å; A174-E177 PolarHBondContact O-N 3.12Å
175D74.1Confident91.8Very high172 Ų17237.9 Ų37.992%0.9224%0.241SC*.THydrogen-bonded Turntrans-52.3120.3178-74.8-22.7000111.3E177D175-E177 VanDerWaalsContact C-N 3.34Å; D175-E177 PolarHBondContact O-N 2.81Å
176G72Confident91.5Very high58 Ų5836 Ų3660%0.59822%0.224SC*.THydrogen-bonded Turntrans81.3-0.2-178.700000116K105 A174 Q178K105-G176 VanDerWaalsContact CG-O 3.3Å; K105-G176 WeakPolarHBondContact CG-O 3.41Å; A174-G176 PolarHBondContact O-N 3.08Å; A174-G176 VanDerWaalsContact O-N 3.1Å; G176-Q178 PolarHBondContact O-N 3.16Å
177E82.6Confident90.8Very high55 Ų5535.4 Ų35.426%0.25722%0.219SC..  trans-10046.4-179.5-64-153.2149.400113.7K106 K128 A174 D175 V179K106-E177 HydrophobicContact CD-CB 3.82Å; K106-E177 WeakPolarHBondContact CD-O 3.39Å; K106-E177 HydrophobicContact CG-CB 4.37Å; K106-E177 IonicContact NZ-OE2 3.27Å; K128-E177 IonicContact NZ-OE1 3.06Å; K128-E177 PolarHBondContact NZ-OE1 3.44Å; K128-E177 IonicContact NZ-OE2 3.96Å; K128-E177 PolarHBondContact NZ-OE2 2.87Å; A174-E177 HydrophobicContact CB-CG 4.29Å; A174-E177 PolarHBondContact O-N 3.12Å; D175-E177 VanDerWaalsContact C-N 3.34Å; D175-E177 PolarHBondContact O-N 2.81Å; E177-V179 PolarHBondContact O-N 3.37Å
178Q90.9Very high89.9Confident107 Ų10738.7 Ų38.750%0.525%0.254SS..  trans-59.5134.1-179.1-67.7-177.8-22.400112Y104 K105 K106 G176Y104-Q178 HydrophobicContact CD1-CB 4Å; Y104-Q178 HydrophobicContact CE1-CB 4.3Å; K105-Q178 PolarHBondContact N-O 2.98Å; K106-Q178 PolarHBondContact N-O 3.33Å; G176-Q178 PolarHBondContact O-N 3.16Å
179V95.7Very high89Confident0 Ų036.3 Ų36.30%024%0.244CC..EExtended strand (participates in β ladder)trans-95.9138.6-179.6-174.70000110.5K106 F170 L171 E173 E177 I218K106-V179 HydrophobicContact CB-CB 4.29Å; K106-V179 HydrophobicContact CB-CG1 4.41Å; K106-V179 HydrophobicContact CB-CG2 3.75Å; K106-V179 HydrophobicContact CD-CG2 3.92Å; K106-V179 HydrophobicContact CG-CG2 4.4Å; K106-V179 WeakPolarHBondContact O-CA 3.43Å; F170-V179 HydrophobicContact CE1-CG1 4.1Å; L171-V179 HydrophobicContact CD2-CG1 4.12Å; E173-V179 HydrophobicContact CG-CG2 3.9Å; E173-V179 PolarHBondContact OE1-N 3.44Å; E177-V179 PolarHBondContact O-N 3.37Å; V179-I218 HydrophobicContact CB-CD1 4.48Å; V179-I218 HydrophobicContact CG1-CD1 3.99Å
180V97.9Very high88.7Confident0 Ų040 Ų400%025%0.251CS..EExtended strand (participates in β ladder)trans-126.3137.8167.461.70000110L99 Y104 K106 V107 L108 P219 I272L99-V180 HydrophobicContact CD1-CG1 4.15Å; L99-V180 HydrophobicContact CD2-CB 4.39Å; L99-V180 HydrophobicContact CD2-CG1 3.8Å; L99-V180 HydrophobicContact CD2-CG2 3.86Å; L99-V180 HydrophobicContact CG-CG1 4.41Å; Y104-V180 HydrophobicContact CD1-CB 3.69Å; Y104-V180 HydrophobicContact CD1-CG1 3.97Å; Y104-V180 HydrophobicContact CD2-CB 4.05Å; Y104-V180 HydrophobicContact CD2-CG1 3.96Å; Y104-V180 HydrophobicContact CD2-CG2 4.47Å; Y104-V180 HydrophobicContact CE1-CB 3.85Å; Y104-V180 HydrophobicContact CE2-CB 4.18Å; Y104-V180 HydrophobicContact CE2-CG2 4.28Å; Y104-V180 HydrophobicContact CG-CB 3.81Å; Y104-V180 HydrophobicContact CG-CG1 3.63Å; K106-V180 PolarHBondContact O-N 3.02Å; V107-V180 CarbonylContact C-O 3.59Å; V107-V180 WeakPolarHBondContact CA-O 3.33Å; V107-V180 HydrophobicContact CB-CG1 4.43Å; V107-V180 HydrophobicContact CG1-CG1 4.29Å; V107-V180 HydrophobicContact CG2-CG1 4.05Å; L108-V180 PolarHBondContact N-O 2.91Å; V180-P219 WeakPolarHBondContact CA-O 3.42Å; V180-P219 HydrophobicContact CB-CB 4.34Å; V180-P219 HydrophobicContact CG2-CB 4.12Å; V180-I272 HydrophobicContact CG2-CD1 4.28Å
181M98.6Very high88.5Confident1 Ų139.5 Ų39.51%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-97.4130174.2-177.9169.667.700110.6L108 V110 F198 I201 I218 P219 I220 I221L108-M181 HydrophobicContact CB-CB 4.38Å; L108-M181 HydrophobicContact CB-CG 4.43Å; L108-M181 HydrophobicContact CD2-CG 4.15Å; L108-M181 HydrophobicContact CD2-SD 4.04Å; L108-M181 HydrophobicContact CG-CG 4.41Å; L108-M181 WeakPolarHBondContact O-CA 3.46Å; V110-M181 HydrophobicContact CG2-CG 3.94Å; V110-M181 HydrophobicContact CG2-SD 3.98Å; M181-F198 HydrophobicContact CE-CB 3.77Å; M181-F198 HydrophobicContact CE-CD1 3.87Å; M181-F198 HydrophobicContact CE-CG 3.94Å; M181-F198 HydrophobicContact SD-CD1 4.26Å; M181-I201 HydrophobicContact SD-CB 4.26Å; M181-I201 HydrophobicContact SD-CD1 3.81Å; M181-I201 HydrophobicContact SD-CG2 3.84Å; M181-I218 HydrophobicContact CB-CD1 4.35Å; M181-P219 PolarHBondContact N-O 2.79Å; M181-I220 HydrophobicContact CB-CG1 4.39Å; M181-I220 HydrophobicContact CE-CB 4.22Å; M181-I220 HydrophobicContact CE-CD1 3.26Å; M181-I220 HydrophobicContact CE-CG1 3.59Å; M181-I220 CarbonylContact O-C 3.6Å; M181-I220 VanDerWaalsContact O-CA 3.3Å; M181-I220 WeakPolarHBondContact O-CA 3.19Å; M181-I221 PolarHBondContact O-N 2.86Å
182V98.8Very high88.5Confident0 Ų047.3 Ų47.30%028%0.284CS..EExtended strand (participates in β ladder)trans-120.7115.5173.8-171.80000109.1L99 V107 L108 V110 T112 L115 I221 I223L99-V182 HydrophobicContact CD1-CG2 3.65Å; V107-V182 HydrophobicContact CG1-CG2 3.83Å; L108-V182 PolarHBondContact O-N 2.96Å; V110-V182 PolarHBondContact N-O 3.07Å; T112-V182 HydrophobicContact CG2-CG1 4.35Å; T112-V182 PolarHBondContact OG1-O 3.45Å; L115-V182 HydrophobicContact CD2-CB 3.82Å; L115-V182 HydrophobicContact CD2-CG1 3.71Å; L115-V182 HydrophobicContact CD2-CG2 3.9Å; V182-I221 WeakPolarHBondContact CA-O 3.46Å; V182-I221 HydrophobicContact CG1-CB 4.38Å; V182-I221 HydrophobicContact CG1-CG2 4.44Å; V182-I221 HydrophobicContact CG2-CB 4.43Å; V182-I223 HydrophobicContact CG1-CD1 3.92Å
183A98.4Very high88.7Confident0 Ų047 Ų470%028%0.281CS..EExtended strand (participates in β ladder)trans-119.3131-174.700000111.8V110 F198 I221 I223V110-A183 HydrophobicContact CB-CB 4.02Å; V110-A183 WeakPolarHBondContact O-CA 3.41Å; A183-F198 HydrophobicContact CB-CE1 3.7Å; A183-F198 HydrophobicContact CB-CE2 4.23Å; A183-F198 HydrophobicContact CB-CZ 3.5Å; A183-I221 PolarHBondContact N-O 2.87Å; A183-I223 WeakPolarHBondContact O-CB 3.47Å; A183-I223 PolarHBondContact O-N 3.34Å
184D97.1Very high89.3Confident15 Ų1544.3 Ų44.38%0.0827%0.268CS..  trans-127.877.1171.6-169.920.1000111F87 V110 T112 I223 Y248F87-D184 HydrophobicContact CE1-CB 4.3Å; F87-D184 WeakPolarHBondContact CE1-OD2 3.45Å; F87-D184 HydrophobicContact CZ-CB 3.76Å; F87-D184 VanDerWaalsContact CZ-OD2 3.32Å; F87-D184 WeakPolarHBondContact CZ-OD2 3.3Å; V110-D184 PolarHBondContact O-N 3.34Å; T112-D184 HydrophobicContact CG2-CB 3.51Å; D184-I223 HydrophobicContact CB-CB 4.21Å; D184-I223 HydrophobicContact CB-CD1 4.48Å; D184-Y248 PolarHBondContact OD1-OH 3.23Å; D184-Y248 WeakPolarHBondContact OD2-CE1 3.49Å; D184-Y248 PolarHBondContact OD2-OH 3.21Å
185P93.9Very high90.2Very high2 Ų241.6 Ų41.61%0.01325%0.246CC..  trans-77.6159-175.631.8-35.4000112.6M152 F187 L194 F198 W222 F224M152-P185 VanDerWaalsContact SD-CA 3.54Å; M152-P185 HydrophobicContact SD-CB 3.35Å; M152-P185 WeakPolarHBondContact SD-CB 3.22Å; P185-F187 PolarHBondContact O-N 3.48Å; P185-L194 HydrophobicContact CB-CD1 3.65Å; P185-L194 HydrophobicContact CB-CD2 3.57Å; P185-L194 HydrophobicContact CB-CG 4.21Å; P185-L194 HydrophobicContact CG-CD1 3.78Å; P185-L194 HydrophobicContact CG-CD2 4.34Å; P185-F198 HydrophobicContact CG-CZ 4.31Å; P185-W222 VanDerWaalsContact CG-NE1 3.28Å; P185-F224 HydrophobicContact CG-CD2 3.88Å; P185-F224 HydrophobicContact CG-CE2 3.89Å
186P88.5Confident91.3Very high21 Ų2137.7 Ų37.714%0.13623%0.225CC..  trans-52.5123.7174.7-29.337000113.2A83 M152 F153 G188 G189A83-P186 HydrophobicContact CB-CB 4.01Å; M152-P186 WeakPolarHBondContact SD-CD 3.47Å; F153-P186 HydrophobicContact CE2-CG 4.15Å; F153-P186 HydrophobicContact CZ-CB 4.32Å; F153-P186 HydrophobicContact CZ-CG 4.33Å; P186-G188 PolarHBondContact O-N 2.85Å; P186-G188 VanDerWaalsContact O-N 3.16Å; P186-G189 WeakPolarHBondContact O-CA 3.35Å; P186-G189 PolarHBondContact O-N 2.99Å
187F82.5Confident92.5Very high18 Ų1835 Ų358%0.07920%0.197CC..THydrogen-bonded Turntrans-63.4-23.7-176.3-51.2-51.9000115.2Y85 P185 F224 P225 Y248 Y254 V266Y85-F187 AromaticContact CD2-CD2 3.77Å; Y85-F187 HydrophobicContact CD2-CD2 3.77Å; Y85-F187 AromaticContact CD2-CE2 3.44Å; Y85-F187 HydrophobicContact CD2-CE2 3.44Å; Y85-F187 VanDerWaalsContact CD2-CE2 3.44Å; Y85-F187 HydrophobicContact CD2-CZ 4.47Å; Y85-F187 AromaticContact CE2-CD2 3.73Å; Y85-F187 HydrophobicContact CE2-CD2 3.73Å; Y85-F187 AromaticContact CE2-CE2 3.89Å; Y85-F187 HydrophobicContact CE2-CE2 3.89Å; Y85-F187 HydrophobicContact CG-CE2 4.38Å; P185-F187 PolarHBondContact O-N 3.48Å; F187-F224 AromaticContact CD1-CD2 3.89Å; F187-F224 HydrophobicContact CD1-CD2 3.89Å; F187-F224 AromaticContact CD1-CE2 3.91Å; F187-F224 HydrophobicContact CD1-CE2 3.91Å; F187-F224 HydrophobicContact CE1-CD2 4.38Å; F187-P225 HydrophobicContact CB-CG 4.24Å; F187-P225 VanDerWaalsContact CD1-CD 3.42Å; F187-P225 HydrophobicContact CD1-CG 3.66Å; F187-P225 HydrophobicContact CE1-CG 4.19Å; F187-P225 HydrophobicContact CG-CG 4.02Å; F187-Y248 HydrophobicContact CZ-CE1 4.47Å; F187-Y248 HydrophobicContact CZ-CE2 4.08Å; F187-Y248 AromaticContact CZ-CZ 3.8Å; F187-Y254 AromaticContact CD2-CD2 4Å; F187-Y254 HydrophobicContact CD2-CD2 4Å; F187-Y254 AromaticContact CD2-CE2 3.4Å; F187-Y254 HydrophobicContact CD2-CE2 3.4Å; F187-Y254 AromaticContact CE2-CD2 3.5Å; F187-Y254 HydrophobicContact CE2-CD2 3.5Å; F187-Y254 AromaticContact CE2-CE2 3.41Å; F187-Y254 HydrophobicContact CE2-CE2 3.41Å; F187-Y254 VanDerWaalsContact CE2-CE2 3.41Å; F187-Y254 HydrophobicContact CG-CE2 4.06Å; F187-Y254 HydrophobicContact CZ-CD2 4.08Å; F187-Y254 HydrophobicContact CZ-CE2 4.11Å; F187-V266 HydrophobicContact CE1-CG1 4.32Å; F187-V266 HydrophobicContact CE1-CG2 4.22Å; F187-V266 HydrophobicContact CZ-CG1 4.43Å; F187-V266 HydrophobicContact CZ-CG2 3.91Å
188G79.9Confident93.2Very high72 Ų7232.5 Ų32.574%0.74219%0.185SC*.THydrogen-bonded Turntrans-78.9-5.4173.600000113.7P186P186-G188 PolarHBondContact O-N 2.85Å; P186-G188 VanDerWaalsContact O-N 3.16Å
189G77.1Confident93.5Very high12 Ų1229.1 Ų29.112%0.12417%0.173CC..SBendtrans-69.2159.1-179.500000114.1F153 P186 V191F153-G189 VanDerWaalsContact CE1-CA 3.46Å; P186-G189 WeakPolarHBondContact O-CA 3.35Å; P186-G189 PolarHBondContact O-N 2.99Å; G189-V191 PolarHBondContact O-N 3.44Å
190L88.1Confident93.6Very high124 Ų12431.6 Ų31.665%0.64919%0.186SC*.  trans-76.7120.9171.6-61.3176.8000109.4K192 P193 L194L190-K192 VanDerWaalsContact C-N 3.31Å; L190-K192 PolarHBondContact O-N 3.31Å; L190-P193 VanDerWaalsContact CB-CD 3.5Å; L190-P193 HydrophobicContact CB-CG 3.76Å; L190-P193 HydrophobicContact CD1-CG 4.27Å; L190-P193 WeakPolarHBondContact O-CD 3.45Å; L190-L194 WeakPolarHBondContact O-CG 3.45Å; L190-L194 PolarHBondContact O-N 3.1Å
191V92.3Very high93.6Very high9 Ų931.6 Ų31.66%0.05519%0.186CC..Hα-helixtrans-56.9-41.8-179.6176.10000112.2G189 L194 A195 W222 F224 F228 R231 I232G189-V191 PolarHBondContact O-N 3.44Å; V191-L194 PolarHBondContact O-N 2.87Å; V191-A195 WeakPolarHBondContact O-CB 3.33Å; V191-A195 PolarHBondContact O-N 3.41Å; V191-W222 HydrophobicContact CG1-CH2 3.68Å; V191-W222 HydrophobicContact CG1-CZ2 4.26Å; V191-F224 HydrophobicContact CG2-CE1 3.84Å; V191-F224 HydrophobicContact CG2-CZ 4.42Å; V191-F228 HydrophobicContact CG2-CD1 3.58Å; V191-F228 HydrophobicContact CG2-CE1 3.98Å; V191-F228 HydrophobicContact CG2-CG 4.24Å; V191-R231 HydrophobicContact CB-CB 4.36Å; V191-R231 HydrophobicContact CG1-CB 4.08Å; V191-R231 HydrophobicContact CG2-CB 4.39Å; V191-I232 HydrophobicContact CG1-CG1 3.98Å
192K95.1Very high93.4Very high163 Ų16331.8 Ų31.871%0.70919%0.187SC*.Hα-helixtrans-65.6-48.1-174.7-179.2173.9-174.8172.60113.5L190 L194 A195 N196L190-K192 VanDerWaalsContact C-N 3.31Å; L190-K192 PolarHBondContact O-N 3.31Å; K192-L194 VanDerWaalsContact C-N 3.34Å; K192-L194 PolarHBondContact O-N 3.1Å; K192-A195 PolarHBondContact O-N 3.46Å; K192-N196 WeakPolarHBondContact O-CB 3.14Å; K192-N196 PolarHBondContact O-N 3.08Å
193P96.1Very high93.2Very high41 Ų4135.4 Ų35.427%0.26620%0.204SC..Hα-helixtrans-57.9-40.5171.2-29.335.7000114.4F153 L190 N196 S197F153-P193 HydrophobicContact CD1-CB 4.38Å; F153-P193 WeakPolarHBondContact O-CB 3.34Å; L190-P193 VanDerWaalsContact CB-CD 3.5Å; L190-P193 HydrophobicContact CB-CG 3.76Å; L190-P193 HydrophobicContact CD1-CG 4.27Å; L190-P193 WeakPolarHBondContact O-CD 3.45Å; P193-N196 WeakPolarHBondContact O-CB 3.41Å; P193-N196 PolarHBondContact O-N 3.22Å; P193-S197 PolarHBondContact O-N 3.29Å; P193-S197 PolarHBondContact O-OG 2.64Å
194L96.8Very high93Very high0 Ų036.8 Ų36.80%021%0.213CC..Hα-helixtrans-61.9-49.6176-67.8168.3000111.3M152 F153 P185 L190 V191 K192 N196 S197 F198 W222 F224M152-L194 HydrophobicContact CB-CD2 4.22Å; M152-L194 HydrophobicContact CG-CD2 3.72Å; M152-L194 HydrophobicContact SD-CD2 3.79Å; F153-L194 HydrophobicContact CD1-CD2 3.92Å; F153-L194 HydrophobicContact CD1-CG 4.05Å; F153-L194 HydrophobicContact CE1-CD1 4.01Å; F153-L194 HydrophobicContact CE1-CD2 3.73Å; F153-L194 HydrophobicContact CE1-CG 3.73Å; F153-L194 HydrophobicContact CG-CD2 4.42Å; F153-L194 HydrophobicContact CZ-CD1 4.49Å; F153-L194 HydrophobicContact CZ-CD2 4.09Å; F153-L194 HydrophobicContact CZ-CG 4.44Å; P185-L194 HydrophobicContact CB-CD1 3.65Å; P185-L194 HydrophobicContact CB-CD2 3.57Å; P185-L194 HydrophobicContact CB-CG 4.21Å; P185-L194 HydrophobicContact CG-CD1 3.78Å; P185-L194 HydrophobicContact CG-CD2 4.34Å; L190-L194 WeakPolarHBondContact O-CG 3.45Å; L190-L194 PolarHBondContact O-N 3.1Å; V191-L194 PolarHBondContact O-N 2.87Å; K192-L194 VanDerWaalsContact C-N 3.34Å; K192-L194 PolarHBondContact O-N 3.1Å; L194-N196 VanDerWaalsContact C-N 3.28Å; L194-N196 PolarHBondContact O-N 2.98Å; L194-S197 PolarHBondContact O-N 2.93Å; L194-S197 VanDerWaalsContact O-N 3.15Å; L194-F198 HydrophobicContact CB-CE2 4.17Å; L194-F198 HydrophobicContact CB-CZ 4.4Å; L194-F198 WeakPolarHBondContact O-CD2 3.41Å; L194-F198 VanDerWaalsContact O-CG 3.29Å; L194-F198 WeakPolarHBondContact O-CG 3.43Å; L194-F198 PolarHBondContact O-N 3.1Å; L194-W222 HydrophobicContact CB-CH2 4.24Å; L194-W222 HydrophobicContact CB-CZ2 4.04Å; L194-W222 HydrophobicContact CD1-CZ2 4.26Å; L194-F224 HydrophobicContact CD1-CE2 4.5Å
195A97.1Very high92.9Very high3 Ų336.3 Ų36.33%0.02521%0.21CC..Hα-helixtrans-57.7-41.6176.500000111.7V191 K192 S197 F198 S199 W222 C235 L236V191-A195 WeakPolarHBondContact O-CB 3.33Å; V191-A195 PolarHBondContact O-N 3.41Å; K192-A195 PolarHBondContact O-N 3.46Å; A195-S197 PolarHBondContact O-N 3.37Å; A195-F198 PolarHBondContact O-N 2.85Å; A195-S199 PolarHBondContact O-N 2.75Å; A195-S199 PolarHBondContact O-OG 2.82Å; A195-S199 VanDerWaalsContact O-OG 3.1Å; A195-W222 HydrophobicContact CB-CH2 4.13Å; A195-W222 HydrophobicContact CB-CZ3 4.08Å; A195-C235 HydrophobicContact CB-CB 3.43Å; A195-C235 VanDerWaalsContact CB-CB 3.43Å; A195-L236 HydrophobicContact CB-CD1 4.24Å; A195-L236 HydrophobicContact CB-CG 4.17Å
196N97.4Very high92.8Very high91 Ų9140 Ų4049%0.48722%0.224SC..Hα-helixtrans-59.8-45.9175.5-177.176.4000112.3K192 P193 L194 F198 S199 L200K192-N196 WeakPolarHBondContact O-CB 3.14Å; K192-N196 PolarHBondContact O-N 3.08Å; P193-N196 WeakPolarHBondContact O-CB 3.41Å; P193-N196 PolarHBondContact O-N 3.22Å; L194-N196 VanDerWaalsContact C-N 3.28Å; L194-N196 PolarHBondContact O-N 2.98Å; N196-F198 VanDerWaalsContact C-N 3.32Å; N196-F198 PolarHBondContact O-N 3.42Å; N196-S199 PolarHBondContact O-N 3.46Å; N196-L200 WeakPolarHBondContact O-CG 3.33Å; N196-L200 PolarHBondContact O-N 2.86Å
197S98.1Very high92.9Very high0 Ų046.6 Ų46.60%025%0.25CS..Hα-helixtrans-61.6-39.7175.9-64.30000112.6M152 H155 P193 L194 A195 L200 I201M152-S197 WeakPolarHBondContact O-CB 3.47Å; M152-S197 PolarHBondContact O-OG 3.37Å; H155-S197 PolarHBondContact N-OG 3.47Å; P193-S197 PolarHBondContact O-N 3.29Å; P193-S197 PolarHBondContact O-OG 2.64Å; L194-S197 PolarHBondContact O-N 2.93Å; L194-S197 VanDerWaalsContact O-N 3.15Å; A195-S197 PolarHBondContact O-N 3.37Å; S197-L200 PolarHBondContact O-N 2.88Å; S197-I201 WeakPolarHBondContact O-CG1 3.34Å; S197-I201 PolarHBondContact O-N 2.81Å; S197-I201 VanDerWaalsContact O-N 3.11Å
198F97.8Very high93.2Very high4 Ų448.4 Ų48.42%0.01826%0.26CS..Hα-helixtrans-67.6-39.8176.1-58.2-28000112V110 M181 A183 P185 L194 A195 N196 L200 I201 S202 I220 W222V110-F198 HydrophobicContact CG1-CE1 4.27Å; M181-F198 HydrophobicContact CE-CB 3.77Å; M181-F198 HydrophobicContact CE-CD1 3.87Å; M181-F198 HydrophobicContact CE-CG 3.94Å; M181-F198 HydrophobicContact SD-CD1 4.26Å; A183-F198 HydrophobicContact CB-CE1 3.7Å; A183-F198 HydrophobicContact CB-CE2 4.23Å; A183-F198 HydrophobicContact CB-CZ 3.5Å; P185-F198 HydrophobicContact CG-CZ 4.31Å; L194-F198 HydrophobicContact CB-CE2 4.17Å; L194-F198 HydrophobicContact CB-CZ 4.4Å; L194-F198 WeakPolarHBondContact O-CD2 3.41Å; L194-F198 VanDerWaalsContact O-CG 3.29Å; L194-F198 WeakPolarHBondContact O-CG 3.43Å; L194-F198 PolarHBondContact O-N 3.1Å; A195-F198 PolarHBondContact O-N 2.85Å; N196-F198 VanDerWaalsContact C-N 3.32Å; N196-F198 PolarHBondContact O-N 3.42Å; F198-L200 VanDerWaalsContact C-N 3.32Å; F198-L200 PolarHBondContact O-N 3.45Å; F198-I201 PolarHBondContact O-N 2.93Å; F198-S202 PolarHBondContact O-N 3.39Å; F198-I220 HydrophobicContact CB-CD1 4.22Å; F198-I220 HydrophobicContact CD2-CD1 4.14Å; F198-I220 HydrophobicContact CG-CD1 4.2Å; F198-W222 HydrophobicContact CD2-CD2 4.16Å; F198-W222 AromaticContact CD2-CE3 3.98Å; F198-W222 HydrophobicContact CD2-CE3 3.98Å; F198-W222 HydrophobicContact CD2-CH2 4.47Å; F198-W222 HydrophobicContact CD2-CZ3 4.15Å; F198-W222 AromaticContact CE2-CD2 3.68Å; F198-W222 HydrophobicContact CE2-CD2 3.68Å; F198-W222 AromaticContact CE2-CE2 3.71Å; F198-W222 AromaticContact CE2-CE3 3.96Å; F198-W222 HydrophobicContact CE2-CE3 3.96Å; F198-W222 HydrophobicContact CE2-CG 4.05Å; F198-W222 HydrophobicContact CE2-CH2 4.23Å; F198-W222 HydrophobicContact CE2-CZ2 4.01Å; F198-W222 HydrophobicContact CE2-CZ3 4.23Å
199S97Very high93.4Very high35 Ų3548.3 Ų48.325%0.24524%0.238CC..Hα-helixtrans-60.9-39.8172.5-64.30000112A195 N196 S202 Q203A195-S199 PolarHBondContact O-N 2.75Å; A195-S199 PolarHBondContact O-OG 2.82Å; A195-S199 VanDerWaalsContact O-OG 3.1Å; N196-S199 PolarHBondContact O-N 3.46Å; S199-S202 PolarHBondContact O-N 2.88Å; S199-Q203 WeakPolarHBondContact O-CB 3.46Å; S199-Q203 WeakPolarHBondContact O-CG 3.47Å; S199-Q203 PolarHBondContact O-N 3.02Å
200L97.4Very high92.9Very high52 Ų5255.2 Ų55.227%0.27227%0.272SS..Hα-helixtrans-63.2-43.5175.8-72171.9000111.7H155 N196 S197 F198 S202 Q203 T204H155-L200 HydrophobicContact CB-CD1 3.81Å; N196-L200 WeakPolarHBondContact O-CG 3.33Å; N196-L200 PolarHBondContact O-N 2.86Å; S197-L200 PolarHBondContact O-N 2.88Å; F198-L200 VanDerWaalsContact C-N 3.32Å; F198-L200 PolarHBondContact O-N 3.45Å; L200-S202 PolarHBondContact O-N 2.81Å; L200-Q203 WeakPolarHBondContact O-CB 3.32Å; L200-Q203 PolarHBondContact O-N 3.35Å; L200-T204 PolarHBondContact O-N 2.74Å; L200-T204 PolarHBondContact O-OG1 2.99Å
201I97.6Very high91.6Very high0 Ų051.6 Ų51.60%026%0.257CS..Hα-helixtrans-61.5-44.6174.4-64.9171.4000110.8L108 L132 L171 M181 S197 F198 Q203 T204 W205L108-I201 HydrophobicContact CD2-CD1 4.45Å; L108-I201 HydrophobicContact CD2-CG2 3.74Å; L132-I201 HydrophobicContact CD1-CD1 4.37Å; L171-I201 HydrophobicContact CD1-CG2 4.14Å; L171-I201 HydrophobicContact CD2-CG2 4.36Å; M181-I201 HydrophobicContact SD-CB 4.26Å; M181-I201 HydrophobicContact SD-CD1 3.81Å; M181-I201 HydrophobicContact SD-CG2 3.84Å; S197-I201 WeakPolarHBondContact O-CG1 3.34Å; S197-I201 PolarHBondContact O-N 2.81Å; S197-I201 VanDerWaalsContact O-N 3.11Å; F198-I201 PolarHBondContact O-N 2.93Å; I201-Q203 VanDerWaalsContact C-N 3.32Å; I201-Q203 PolarHBondContact O-N 2.8Å; I201-T204 PolarHBondContact O-N 2.78Å; I201-W205 PolarHBondContact O-N 3.12Å
202S95.4Very high90Very high5 Ų555.3 Ų55.34%0.03530%0.297CS..Hα-helixtrans-60.6-39.7175.6-170.40000112.4F198 S199 L200 W205 R206 D217 I218F198-S202 PolarHBondContact O-N 3.39Å; S199-S202 PolarHBondContact O-N 2.88Å; L200-S202 PolarHBondContact O-N 2.81Å; S202-W205 PolarHBondContact O-N 2.63Å; S202-R206 WeakPolarHBondContact O-CB 3.43Å; S202-R206 WeakPolarHBondContact O-CG 3.34Å; S202-R206 PolarHBondContact O-N 2.92Å; S202-D217 WeakPolarHBondContact OG-CA 3.13Å; S202-D217 WeakPolarHBondContact OG-CB 3.31Å; S202-D217 PolarHBondContact OG-OD1 3.44Å; S202-I218 PolarHBondContact OG-N 3.46Å; S202-I218 VanDerWaalsContact OG-N 3.15Å
203Q94.1Very high88.5Confident76 Ų7651.5 Ų51.536%0.35528%0.284SS..Hα-helixtrans-64.4-43.2175.8-74166.827.700111.8S199 L200 I201 R206 K207S199-Q203 WeakPolarHBondContact O-CB 3.46Å; S199-Q203 WeakPolarHBondContact O-CG 3.47Å; S199-Q203 PolarHBondContact O-N 3.02Å; L200-Q203 WeakPolarHBondContact O-CB 3.32Å; L200-Q203 PolarHBondContact O-N 3.35Å; I201-Q203 VanDerWaalsContact C-N 3.32Å; I201-Q203 PolarHBondContact O-N 2.8Å; Q203-R206 PolarHBondContact O-N 3.23Å; Q203-K207 WeakPolarHBondContact O-CG 3.24Å; Q203-K207 PolarHBondContact O-N 3.23Å
204T94.5Very high87.1Confident29 Ų2953.7 Ų53.718%0.17830%0.301CS..Hα-helixtrans-61-49.1175-62.30000111D168 L171 L200 I201 R206 K207 L208D168-T204 WeakPolarHBondContact OD1-CG2 3.36Å; L171-T204 HydrophobicContact CD1-CG2 3.79Å; L200-T204 PolarHBondContact O-N 2.74Å; L200-T204 PolarHBondContact O-OG1 2.99Å; I201-T204 PolarHBondContact O-N 2.78Å; T204-R206 VanDerWaalsContact C-N 3.33Å; T204-R206 PolarHBondContact O-N 2.86Å; T204-K207 WeakPolarHBondContact O-CB 3.18Å; T204-K207 PolarHBondContact O-N 2.83Å; T204-K207 VanDerWaalsContact O-N 3.15Å; T204-L208 HydrophobicContact CG2-CD1 4.06Å; T204-L208 WeakPolarHBondContact O-CG 3.37Å; T204-L208 PolarHBondContact O-N 2.77Å
205W94.4Very high85.9Confident6 Ų660.6 Ų60.62%0.02334%0.337CS..Hα-helixtrans-57.1-44176.6176.382.9000112.5L171 E173 I201 S202 K207 L208 R209 I216 D217 I218L171-W205 HydrophobicContact CB-CB 4.46Å; L171-W205 HydrophobicContact CD1-CB 4.27Å; L171-W205 HydrophobicContact CD2-CB 4.31Å; E173-W205 VanDerWaalsContact CD-NE1 3.28Å; E173-W205 PolarHBondContact OE1-NE1 2.79Å; I201-W205 PolarHBondContact O-N 3.12Å; S202-W205 PolarHBondContact O-N 2.63Å; W205-K207 PolarHBondContact O-N 2.79Å; W205-L208 PolarHBondContact O-N 2.88Å; W205-R209 HydrophobicContact CD2-CG 4.48Å; W205-R209 VanDerWaalsContact CH2-CD 3.49Å; W205-R209 HydrophobicContact CZ2-CG 4.5Å; W205-R209 PolarHBondContact O-N 3.48Å; W205-I216 HydrophobicContact CH2-CG2 4.1Å; W205-I216 HydrophobicContact CZ3-CG2 4.23Å; W205-I216 WeakPolarHBondContact CZ3-O 3.49Å; W205-D217 VanDerWaalsContact CZ3-C 3.45Å; W205-I218 HydrophobicContact CB-CB 4.3Å; W205-I218 HydrophobicContact CB-CD1 4.14Å; W205-I218 HydrophobicContact CD2-CB 3.7Å; W205-I218 HydrophobicContact CD2-CD1 4.37Å; W205-I218 HydrophobicContact CD2-CG1 3.9Å; W205-I218 HydrophobicContact CE3-CB 3.77Å; W205-I218 HydrophobicContact CE3-CG1 4.44Å; W205-I218 HydrophobicContact CG-CB 3.98Å; W205-I218 HydrophobicContact CG-CD1 3.88Å; W205-I218 HydrophobicContact CG-CG1 3.95Å; W205-I218 HydrophobicContact CZ2-CG1 4.46Å; W205-I218 HydrophobicContact CZ3-CB 4.25Å; W205-I218 VanDerWaalsContact CZ3-N 3.32Å
206R91Very high85.3Confident79 Ų7963.8 Ų63.830%0.29835%0.353SS..Hα-helixtrans-59.8-43.8175.3-82.9-171-77.3157.4-6.1113S202 Q203 T204 L208 R209 S214 I216 D217S202-R206 WeakPolarHBondContact O-CB 3.43Å; S202-R206 WeakPolarHBondContact O-CG 3.34Å; S202-R206 PolarHBondContact O-N 2.92Å; Q203-R206 PolarHBondContact O-N 3.23Å; T204-R206 VanDerWaalsContact C-N 3.33Å; T204-R206 PolarHBondContact O-N 2.86Å; R206-L208 PolarHBondContact O-N 3.34Å; R206-R209 PolarHBondContact O-N 2.91Å; R206-S214 WeakPolarHBondContact CD-O 3.34Å; R206-S214 PolarHBondContact NH1-O 3.33Å; R206-I216 WeakPolarHBondContact CD-O 3.29Å; R206-I216 WeakPolarHBondContact CG-O 3.36Å; R206-D217 IonicContact NE-OD1 3.94Å; R206-D217 IonicContact NH2-OD1 3.96Å
207K90.8Very high84.9Confident160 Ų16062.5 Ų62.570%0.69635%0.346SS*.Hα-helixtrans-61.1-33.6178.8-72.5172.4-176.1179.40112.1Q203 T204 W205Q203-K207 WeakPolarHBondContact O-CG 3.24Å; Q203-K207 PolarHBondContact O-N 3.23Å; T204-K207 WeakPolarHBondContact O-CB 3.18Å; T204-K207 PolarHBondContact O-N 2.83Å; T204-K207 VanDerWaalsContact O-N 3.15Å; W205-K207 PolarHBondContact O-N 2.79Å
208L89.9Confident84.8Confident55 Ų5562.7 Ų62.729%0.28835%0.347SS..Hα-helixtrans-79.8-24.2-177.5-66.9167.2000113.7D168 L171 T204 W205 R206 N210D168-L208 HydrophobicContact CB-CD1 4.26Å; D168-L208 VanDerWaalsContact O-CD1 3.29Å; D168-L208 WeakPolarHBondContact O-CD1 3.39Å; L171-L208 HydrophobicContact CB-CD1 3.67Å; T204-L208 HydrophobicContact CG2-CD1 4.06Å; T204-L208 WeakPolarHBondContact O-CG 3.37Å; T204-L208 PolarHBondContact O-N 2.77Å; W205-L208 PolarHBondContact O-N 2.88Å; R206-L208 PolarHBondContact O-N 3.34Å; L208-N210 VanDerWaalsContact C-N 3.26Å; L208-N210 PolarHBondContact O-N 2.56Å
209R84.1Confident84.7Confident71 Ų7163.7 Ų63.727%0.26835%0.354SS..THydrogen-bonded Turntrans-71.6-10.5-173.8-83.7179.568.5-138.7-1.5115.5E173 W205 R206 S211E173-R209 WeakPolarHBondContact OE2-CD 3.47Å; E173-R209 IonicContact OE2-NE 2.75Å; E173-R209 PolarHBondContact OE2-NE 3.2Å; W205-R209 HydrophobicContact CD2-CG 4.48Å; W205-R209 VanDerWaalsContact CH2-CD 3.49Å; W205-R209 HydrophobicContact CZ2-CG 4.5Å; W205-R209 PolarHBondContact O-N 3.48Å; R206-R209 PolarHBondContact O-N 2.91Å; R209-S211 PolarHBondContact O-N 3.5Å
210N66.5Low84.8Confident157 Ų15762.4 Ų62.484%0.8435%0.345SS*.  trans48.49.4-175.6-68.6-25.9000115.4L208L208-N210 VanDerWaalsContact C-N 3.26Å; L208-N210 PolarHBondContact O-N 2.56Å
211S61.3Low84.9Confident48 Ų4860.1 Ų60.134%0.33633%0.332SS..  trans-88.6117.8177.859.60000106.9R209 D213R209-S211 PolarHBondContact O-N 3.5Å; S211-D213 PolarHBondContact O-N 3.04Å
212G57.5Low84.9Confident87 Ų8760.1 Ų60.190%0.89733%0.332SS*.SBendtrans-58.10.2-179.800000115.7S214G212-S214 PolarHBondContact O-N 3.2Å; G212-S214 VanDerWaalsContact O-N 3.17Å
213D64.5Low85Confident83 Ų8359.9 Ų59.944%0.44433%0.331SS..  trans-8286.1172.5-163.8-10.8000111.6S211 N215 I216S211-D213 PolarHBondContact O-N 3.04Å; D213-N215 PolarHBondContact O-N 3.46Å; D213-N215 VanDerWaalsContact O-N 3.15Å; D213-N215 PolarHBondContact OD1-N 3.25Å; D213-I216 HydrophobicContact CB-CD1 4.37Å; D213-I216 VanDerWaalsContact OD2-CD1 3.29Å; D213-I216 WeakPolarHBondContact OD2-CD1 3.44Å
214S65.5Low85.1Confident87 Ų8756.2 Ų56.261%0.60831%0.314SS*.THydrogen-bonded Turntrans-67.8-5.6178.861.80000114.6R206 G212R206-S214 WeakPolarHBondContact CD-O 3.34Å; R206-S214 PolarHBondContact NH1-O 3.33Å; G212-S214 PolarHBondContact O-N 3.2Å; G212-S214 VanDerWaalsContact O-N 3.17Å
215N72.7Confident85.1Confident145 Ų14554.9 Ų54.978%0.77531%0.305SS*.THydrogen-bonded Turntrans-101.1-0.9-167.1-149.129000114.4D213D213-N215 PolarHBondContact O-N 3.46Å; D213-N215 VanDerWaalsContact O-N 3.15Å; D213-N215 PolarHBondContact OD1-N 3.25Å
216I83.6Confident85.1Confident69 Ų6955.9 Ų55.935%0.35431%0.31SS..PPolyproline II helixtrans-96.5122.2178.2-58.9175.1000109.8W205 R206 D213W205-I216 HydrophobicContact CH2-CG2 4.1Å; W205-I216 HydrophobicContact CZ3-CG2 4.23Å; W205-I216 WeakPolarHBondContact CZ3-O 3.49Å; R206-I216 WeakPolarHBondContact CD-O 3.29Å; R206-I216 WeakPolarHBondContact CG-O 3.36Å; D213-I216 HydrophobicContact CB-CD1 4.37Å; D213-I216 VanDerWaalsContact OD2-CD1 3.29Å; D213-I216 WeakPolarHBondContact OD2-CD1 3.44Å
217D90.1Very high85.1Confident64 Ų6456.9 Ų56.934%0.34232%0.316SS..PPolyproline II helixtrans-83.3154.2169.9-80.9-47.1000112S202 W205 R206S202-D217 WeakPolarHBondContact OG-CA 3.13Å; S202-D217 WeakPolarHBondContact OG-CB 3.31Å; S202-D217 PolarHBondContact OG-OD1 3.44Å; W205-D217 VanDerWaalsContact CZ3-C 3.45Å; R206-D217 IonicContact NE-OD1 3.94Å; R206-D217 IonicContact NH2-OD1 3.96Å
218I94.8Very high85.3Confident4 Ų450.9 Ų50.92%0.02129%0.29CS..PPolyproline II helixtrans-54.8136.3172.4-169.5175.2000110.1L171 V179 M181 S202 W205 I220 N271L171-I218 HydrophobicContact CD2-CD1 3.85Å; V179-I218 HydrophobicContact CB-CD1 4.48Å; V179-I218 HydrophobicContact CG1-CD1 3.99Å; M181-I218 HydrophobicContact CB-CD1 4.35Å; S202-I218 PolarHBondContact OG-N 3.46Å; S202-I218 VanDerWaalsContact OG-N 3.15Å; W205-I218 HydrophobicContact CB-CB 4.3Å; W205-I218 HydrophobicContact CB-CD1 4.14Å; W205-I218 HydrophobicContact CD2-CB 3.7Å; W205-I218 HydrophobicContact CD2-CD1 4.37Å; W205-I218 HydrophobicContact CD2-CG1 3.9Å; W205-I218 HydrophobicContact CE3-CB 3.77Å; W205-I218 HydrophobicContact CE3-CG1 4.44Å; W205-I218 HydrophobicContact CG-CB 3.98Å; W205-I218 HydrophobicContact CG-CD1 3.88Å; W205-I218 HydrophobicContact CG-CG1 3.95Å; W205-I218 HydrophobicContact CZ2-CG1 4.46Å; W205-I218 HydrophobicContact CZ3-CB 4.25Å; W205-I218 VanDerWaalsContact CZ3-N 3.32Å; I218-I220 PolarHBondContact O-N 2.8Å; I218-N271 PolarHBondContact O-ND2 2.84Å
219P97.2Very high85.5Confident25 Ų2549.9 Ų49.916%0.16228%0.284CS..PPolyproline II helixtrans-54.8125.7169.7-27.436.3000111Y104 V180 M181 N271 I272Y104-P219 HydrophobicContact CE1-CB 3.96Å; Y104-P219 HydrophobicContact CE1-CG 3.99Å; Y104-P219 VanDerWaalsContact OH-CB 3.29Å; Y104-P219 WeakPolarHBondContact OH-CB 3.31Å; V180-P219 WeakPolarHBondContact CA-O 3.42Å; V180-P219 HydrophobicContact CB-CB 4.34Å; V180-P219 HydrophobicContact CG2-CB 4.12Å; M181-P219 PolarHBondContact N-O 2.79Å; P219-N271 WeakPolarHBondContact CA-OD1 3.25Å; P219-I272 HydrophobicContact CB-CD1 4.39Å; P219-I272 HydrophobicContact CB-CG1 4.17Å
220I98.3Very high86.1Confident9 Ų950.7 Ų50.75%0.04630%0.299CS..EExtended strand (participates in β ladder)trans-132.4139.5-175.6-175.4-176000111.2M181 F198 I218 W222 L239 T270 N271M181-I220 HydrophobicContact CB-CG1 4.39Å; M181-I220 HydrophobicContact CE-CB 4.22Å; M181-I220 HydrophobicContact CE-CD1 3.26Å; M181-I220 HydrophobicContact CE-CG1 3.59Å; M181-I220 CarbonylContact O-C 3.6Å; M181-I220 VanDerWaalsContact O-CA 3.3Å; M181-I220 WeakPolarHBondContact O-CA 3.19Å; F198-I220 HydrophobicContact CB-CD1 4.22Å; F198-I220 HydrophobicContact CD2-CD1 4.14Å; F198-I220 HydrophobicContact CG-CD1 4.2Å; I218-I220 PolarHBondContact O-N 2.8Å; I220-W222 HydrophobicContact CD1-CB 4.22Å; I220-L239 HydrophobicContact CG2-CD2 3.53Å; I220-T270 WeakPolarHBondContact O-CA 3.13Å; I220-T270 WeakPolarHBondContact O-CB 3.39Å; I220-T270 PolarHBondContact O-OG1 3.31Å; I220-N271 PolarHBondContact N-OD1 3.01Å
221I98.7Very high87.4Confident3 Ų350.4 Ų50.42%0.01529%0.286CS..EExtended strand (participates in β ladder)trans-116.2103161.6-62.6178000107.6L95 L99 M181 V182 A183 I223 L268 F269 I272L95-I221 HydrophobicContact CD2-CG2 4.37Å; L99-I221 HydrophobicContact CD2-CD1 3.67Å; M181-I221 PolarHBondContact O-N 2.86Å; V182-I221 WeakPolarHBondContact CA-O 3.46Å; V182-I221 HydrophobicContact CG1-CB 4.38Å; V182-I221 HydrophobicContact CG1-CG2 4.44Å; V182-I221 HydrophobicContact CG2-CB 4.43Å; A183-I221 PolarHBondContact N-O 2.87Å; I221-I223 HydrophobicContact CG2-CG1 4.02Å; I221-L268 HydrophobicContact CG2-CB 4.16Å; I221-L268 HydrophobicContact CG2-CD2 3.87Å; I221-L268 HydrophobicContact CG2-CG 4.4Å; I221-F269 CarbonylContact C-O 3.53Å; I221-F269 WeakPolarHBondContact CA-O 3.49Å; I221-I272 HydrophobicContact CD1-CD1 4.45Å; I221-I272 HydrophobicContact CG1-CD1 4.23Å
222W98.4Very high89.1Confident0 Ų048.1 Ų48.10%027%0.27CS..EExtended strand (participates in β ladder)trans-93.6113.7171.5-179.23.6000109.4P185 V191 L194 A195 F198 I220 F224 I232 L236 L239 F269P185-W222 VanDerWaalsContact CG-NE1 3.28Å; V191-W222 HydrophobicContact CG1-CH2 3.68Å; V191-W222 HydrophobicContact CG1-CZ2 4.26Å; L194-W222 HydrophobicContact CB-CH2 4.24Å; L194-W222 HydrophobicContact CB-CZ2 4.04Å; L194-W222 HydrophobicContact CD1-CZ2 4.26Å; A195-W222 HydrophobicContact CB-CH2 4.13Å; A195-W222 HydrophobicContact CB-CZ3 4.08Å; F198-W222 HydrophobicContact CD2-CD2 4.16Å; F198-W222 AromaticContact CD2-CE3 3.98Å; F198-W222 HydrophobicContact CD2-CE3 3.98Å; F198-W222 HydrophobicContact CD2-CH2 4.47Å; F198-W222 HydrophobicContact CD2-CZ3 4.15Å; F198-W222 AromaticContact CE2-CD2 3.68Å; F198-W222 HydrophobicContact CE2-CD2 3.68Å; F198-W222 AromaticContact CE2-CE2 3.71Å; F198-W222 AromaticContact CE2-CE3 3.96Å; F198-W222 HydrophobicContact CE2-CE3 3.96Å; F198-W222 HydrophobicContact CE2-CG 4.05Å; F198-W222 HydrophobicContact CE2-CH2 4.23Å; F198-W222 HydrophobicContact CE2-CZ2 4.01Å; F198-W222 HydrophobicContact CE2-CZ3 4.23Å; I220-W222 HydrophobicContact CD1-CB 4.22Å; W222-F224 AromaticContact NE1-CD2 3.51Å; W222-F224 AromaticContact NE1-CG 3.63Å; W222-I232 HydrophobicContact CD2-CD1 4.49Å; W222-I232 HydrophobicContact CE3-CG1 4.4Å; W222-I232 HydrophobicContact CE3-CG2 3.86Å; W222-I232 HydrophobicContact CH2-CG1 4.11Å; W222-I232 HydrophobicContact CZ2-CG1 4.35Å; W222-I232 HydrophobicContact CZ3-CB 4.44Å; W222-I232 HydrophobicContact CZ3-CG1 4.11Å; W222-I232 HydrophobicContact CZ3-CG2 3.91Å; W222-L236 HydrophobicContact CE3-CD1 3.94Å; W222-L236 HydrophobicContact CZ3-CD1 3.8Å; W222-L239 HydrophobicContact CE3-CD1 4.06Å; W222-F269 HydrophobicContact CB-CB 4.27Å; W222-F269 PolarHBondContact N-O 3Å; W222-F269 WeakPolarHBondContact O-CB 3.16Å; W222-F269 WeakPolarHBondContact O-CD2 3.35Å; W222-F269 PolarHBondContact O-N 2.97Å
223I98.2Very high90.9Very high0 Ų046.6 Ų46.60%024%0.241CC..EExtended strand (participates in β ladder)trans-88.5115.9179.6-55.9175.3000108.4F87 L95 V182 A183 D184 I221 V246 Y248 V266 R267 L268F87-I223 HydrophobicContact CE1-CD1 3.84Å; F87-I223 HydrophobicContact CE1-CG2 4.28Å; F87-I223 HydrophobicContact CE2-CD1 4.29Å; F87-I223 HydrophobicContact CZ-CD1 3.4Å; L95-I223 HydrophobicContact CD1-CD1 3.76Å; L95-I223 HydrophobicContact CD2-CD1 4.44Å; V182-I223 HydrophobicContact CG1-CD1 3.92Å; A183-I223 WeakPolarHBondContact O-CB 3.47Å; A183-I223 PolarHBondContact O-N 3.34Å; D184-I223 HydrophobicContact CB-CB 4.21Å; D184-I223 HydrophobicContact CB-CD1 4.48Å; I221-I223 HydrophobicContact CG2-CG1 4.02Å; I223-V246 HydrophobicContact CG2-CB 4.28Å; I223-V246 HydrophobicContact CG2-CG1 4.14Å; I223-V246 HydrophobicContact CG2-CG2 4.03Å; I223-Y248 WeakPolarHBondContact CG2-OH 3.34Å; I223-V266 HydrophobicContact CG2-CG1 3.42Å; I223-V266 VanDerWaalsContact CG2-CG1 3.42Å; I223-R267 WeakPolarHBondContact CA-O 3.3Å; I223-L268 HydrophobicContact CD1-CD2 4.2Å; I223-L268 HydrophobicContact CG1-CD2 3.67Å
224F96.1Very high92.5Very high0 Ų050.3 Ų50.30%026%0.255CS..EExtended strand (participates in β ladder)trans-158.2162-176.9-141.1-119.2000112.6P185 F187 V191 L194 W222 F228 I232 R267 F269P185-F224 HydrophobicContact CG-CD2 3.88Å; P185-F224 HydrophobicContact CG-CE2 3.89Å; F187-F224 AromaticContact CD1-CD2 3.89Å; F187-F224 HydrophobicContact CD1-CD2 3.89Å; F187-F224 AromaticContact CD1-CE2 3.91Å; F187-F224 HydrophobicContact CD1-CE2 3.91Å; F187-F224 HydrophobicContact CE1-CD2 4.38Å; V191-F224 HydrophobicContact CG2-CE1 3.84Å; V191-F224 HydrophobicContact CG2-CZ 4.42Å; L194-F224 HydrophobicContact CD1-CE2 4.5Å; W222-F224 AromaticContact NE1-CD2 3.51Å; W222-F224 AromaticContact NE1-CG 3.63Å; F224-F228 HydrophobicContact CD1-CB 3.63Å; F224-F228 AromaticContact CD1-CD2 3.72Å; F224-F228 HydrophobicContact CD1-CD2 3.72Å; F224-F228 AromaticContact CD1-CG 3.82Å; F224-F228 HydrophobicContact CD1-CG 3.82Å; F224-F228 HydrophobicContact CE1-CB 3.81Å; F224-F228 HydrophobicContact CE1-CD1 4.05Å; F224-F228 AromaticContact CE1-CD2 3.34Å; F224-F228 HydrophobicContact CE1-CD2 3.34Å; F224-F228 HydrophobicContact CE1-CE1 4.44Å; F224-F228 AromaticContact CE1-CE2 3.76Å; F224-F228 HydrophobicContact CE1-CE2 3.76Å; F224-F228 AromaticContact CE1-CG 3.49Å; F224-F228 HydrophobicContact CE1-CG 3.49Å; F224-F228 VanDerWaalsContact CE1-CG 3.49Å; F224-F228 HydrophobicContact CE1-CZ 4.3Å; F224-F228 HydrophobicContact CZ-CD2 4.32Å; F224-F228 HydrophobicContact CZ-CE2 4.36Å; F224-I232 HydrophobicContact CB-CD1 3.94Å; F224-I232 HydrophobicContact CD1-CD1 3.94Å; F224-I232 HydrophobicContact CG-CD1 4.32Å; F224-R267 PolarHBondContact N-O 2.95Å; F224-R267 PolarHBondContact O-N 3.42Å; F224-F269 HydrophobicContact CB-CD2 4.17Å; F224-F269 HydrophobicContact CB-CE2 4.02Å; F224-F269 WeakPolarHBondContact O-CE2 3.3Å
225P94Very high93.9Very high0 Ų048.1 Ų48.10%024%0.239CC..EExtended strand (participates in β ladder)trans-67.3135.2179.2-21.433.5000112.9F187 F227 F228 Y254 P265 V266F187-P225 HydrophobicContact CB-CG 4.24Å; F187-P225 VanDerWaalsContact CD1-CD 3.42Å; F187-P225 HydrophobicContact CD1-CG 3.66Å; F187-P225 HydrophobicContact CE1-CG 4.19Å; F187-P225 HydrophobicContact CG-CG 4.02Å; P225-F227 HydrophobicContact CB-CD1 3.89Å; P225-F227 HydrophobicContact CB-CD2 4.36Å; P225-F227 HydrophobicContact CB-CE1 3.32Å; P225-F227 HydrophobicContact CB-CE2 3.86Å; P225-F227 HydrophobicContact CB-CG 4.39Å; P225-F227 HydrophobicContact CB-CZ 3.3Å; P225-F227 HydrophobicContact CG-CE1 4.35Å; P225-F227 HydrophobicContact CG-CE2 4.49Å; P225-F227 HydrophobicContact CG-CZ 3.95Å; P225-F227 PolarHBondContact O-N 3.5Å; P225-F228 HydrophobicContact CB-CD2 4.19Å; P225-F228 HydrophobicContact CG-CD2 4.32Å; P225-F228 WeakPolarHBondContact O-CB 3.49Å; P225-F228 PolarHBondContact O-N 3.23Å; P225-Y254 HydrophobicContact CG-CE2 4.49Å; P225-P265 CarbonylContact C-O 3.58Å; P225-P265 WeakPolarHBondContact CA-O 3.12Å; P225-V266 HydrophobicContact CG-CG2 4.47Å
226Y93.1Very high95Very high28 Ų2842.3 Ų42.311%0.1121%0.208CC..G310 helixtrans-57-26-172.970.9-104000114.4F228 E229 M241 P265 K311Y226-F228 PolarHBondContact O-N 3.2Å; Y226-E229 VanDerWaalsContact O-CB 3.25Å; Y226-E229 WeakPolarHBondContact O-CB 3.29Å; Y226-E229 PolarHBondContact O-N 2.67Å; Y226-M241 WeakPolarHBondContact CB-SD 3.43Å; Y226-P265 HydrophobicContact CD1-CB 3.94Å; Y226-P265 WeakPolarHBondContact CD1-O 3.5Å; Y226-P265 HydrophobicContact CE1-CB 3.68Å; Y226-P265 PolarHBondContact N-O 3.42Å; Y226-K311 HydrophobicContact CD2-CB 3.71Å; Y226-K311 HydrophobicContact CD2-CD 4.25Å; Y226-K311 HydrophobicContact CE2-CB 4.1Å; Y226-K311 HydrophobicContact CG-CB 4.07Å
227F91.9Very high95.6Very high99 Ų9944.3 Ų44.343%0.43423%0.226SC..G310 helixtrans-73.6-8.4-178.950.9-99.4000113.4P225 P265P225-F227 HydrophobicContact CB-CD1 3.89Å; P225-F227 HydrophobicContact CB-CD2 4.36Å; P225-F227 HydrophobicContact CB-CE1 3.32Å; P225-F227 HydrophobicContact CB-CE2 3.86Å; P225-F227 HydrophobicContact CB-CG 4.39Å; P225-F227 HydrophobicContact CB-CZ 3.3Å; P225-F227 HydrophobicContact CG-CE1 4.35Å; P225-F227 HydrophobicContact CG-CE2 4.49Å; P225-F227 HydrophobicContact CG-CZ 3.95Å; P225-F227 PolarHBondContact O-N 3.5Å; F227-P265 HydrophobicContact CE1-CB 4.16Å
228F94.4Very high95.9Very high35 Ų3544.2 Ų44.215%0.15423%0.234CC..G310 helixtrans-90.7-4.5171.2-79.8-76.2000114.1V191 F224 P225 Y226 P230 R231 I232V191-F228 HydrophobicContact CG2-CD1 3.58Å; V191-F228 HydrophobicContact CG2-CE1 3.98Å; V191-F228 HydrophobicContact CG2-CG 4.24Å; F224-F228 HydrophobicContact CD1-CB 3.63Å; F224-F228 AromaticContact CD1-CD2 3.72Å; F224-F228 HydrophobicContact CD1-CD2 3.72Å; F224-F228 AromaticContact CD1-CG 3.82Å; F224-F228 HydrophobicContact CD1-CG 3.82Å; F224-F228 HydrophobicContact CE1-CB 3.81Å; F224-F228 HydrophobicContact CE1-CD1 4.05Å; F224-F228 AromaticContact CE1-CD2 3.34Å; F224-F228 HydrophobicContact CE1-CD2 3.34Å; F224-F228 HydrophobicContact CE1-CE1 4.44Å; F224-F228 AromaticContact CE1-CE2 3.76Å; F224-F228 HydrophobicContact CE1-CE2 3.76Å; F224-F228 AromaticContact CE1-CG 3.49Å; F224-F228 HydrophobicContact CE1-CG 3.49Å; F224-F228 VanDerWaalsContact CE1-CG 3.49Å; F224-F228 HydrophobicContact CE1-CZ 4.3Å; F224-F228 HydrophobicContact CZ-CD2 4.32Å; F224-F228 HydrophobicContact CZ-CE2 4.36Å; P225-F228 HydrophobicContact CB-CD2 4.19Å; P225-F228 HydrophobicContact CG-CD2 4.32Å; P225-F228 WeakPolarHBondContact O-CB 3.49Å; P225-F228 PolarHBondContact O-N 3.23Å; Y226-F228 PolarHBondContact O-N 3.2Å; F228-P230 VanDerWaalsContact C-CD 3.47Å; F228-P230 VanDerWaalsContact C-N 3.34Å; F228-P230 VanDerWaalsContact O-N 3.17Å; F228-R231 PolarHBondContact O-N 2.82Å; F228-I232 HydrophobicContact CB-CD1 4.28Å; F228-I232 HydrophobicContact CB-CG1 4.46Å; F228-I232 PolarHBondContact O-N 3.27Å
229E95.1Very high96Very high33 Ų3344.4 Ų44.415%0.15424%0.235CC..Hα-helixtrans-44.9-48.4-179.1173.5-177.2171.500113.7Y226 R231 I232 L233 M241 F269 K311Y226-E229 VanDerWaalsContact O-CB 3.25Å; Y226-E229 WeakPolarHBondContact O-CB 3.29Å; Y226-E229 PolarHBondContact O-N 2.67Å; E229-R231 VanDerWaalsContact C-N 3.26Å; E229-R231 PolarHBondContact O-N 3.16Å; E229-I232 PolarHBondContact O-N 2.98Å; E229-I232 VanDerWaalsContact O-N 3.12Å; E229-L233 HydrophobicContact CG-CD1 3.8Å; E229-L233 HydrophobicContact CG-CG 4.17Å; E229-L233 WeakPolarHBondContact O-CG 3.46Å; E229-L233 PolarHBondContact O-N 2.99Å; E229-M241 WeakPolarHBondContact OE2-CE 3.43Å; E229-F269 HydrophobicContact CB-CE1 3.64Å; E229-F269 HydrophobicContact CB-CZ 3.91Å; E229-F269 HydrophobicContact CG-CE1 3.88Å; E229-K311 IonicContact OE1-NZ 2.67Å; E229-K311 PolarHBondContact OE1-NZ 3.02Å; E229-K311 WeakPolarHBondContact OE2-CE 3.49Å; E229-K311 IonicContact OE2-NZ 3.6Å; E229-K311 PolarHBondContact OE2-NZ 2.88Å
230P95.3Very high96Very high89 Ų8946.3 Ų46.358%0.57825%0.246SC*.Hα-helixtrans-58-37.2179.4-24.935.2000113.8F228 E234F228-P230 VanDerWaalsContact C-CD 3.47Å; F228-P230 VanDerWaalsContact C-N 3.34Å; F228-P230 VanDerWaalsContact O-N 3.17Å; P230-E234 WeakPolarHBondContact O-CB 3.49Å; P230-E234 PolarHBondContact O-N 3.22Å
231R95.4Very high96Very high151 Ų15146.7 Ų46.757%0.5725%0.248SC*.Hα-helixtrans-77.2-33179.5-63-173.8-175.6178-0.4112.3V191 F228 E229 C235V191-R231 HydrophobicContact CB-CB 4.36Å; V191-R231 HydrophobicContact CG1-CB 4.08Å; V191-R231 HydrophobicContact CG2-CB 4.39Å; F228-R231 PolarHBondContact O-N 2.82Å; E229-R231 VanDerWaalsContact C-N 3.26Å; E229-R231 PolarHBondContact O-N 3.16Å; R231-C235 PolarHBondContact O-N 2.94Å; R231-C235 PolarHBondContact O-SG 3.27Å
232I96.3Very high95.9Very high0 Ų046.9 Ų46.90%025%0.249CC..Hα-helixtrans-65.3-49.7174.7-68.2173.1000108.9V191 W222 F224 F228 E229 E234 C235 L236 L239 F269V191-I232 HydrophobicContact CG1-CG1 3.98Å; W222-I232 HydrophobicContact CD2-CD1 4.49Å; W222-I232 HydrophobicContact CE3-CG1 4.4Å; W222-I232 HydrophobicContact CE3-CG2 3.86Å; W222-I232 HydrophobicContact CH2-CG1 4.11Å; W222-I232 HydrophobicContact CZ2-CG1 4.35Å; W222-I232 HydrophobicContact CZ3-CB 4.44Å; W222-I232 HydrophobicContact CZ3-CG1 4.11Å; W222-I232 HydrophobicContact CZ3-CG2 3.91Å; F224-I232 HydrophobicContact CB-CD1 3.94Å; F224-I232 HydrophobicContact CD1-CD1 3.94Å; F224-I232 HydrophobicContact CG-CD1 4.32Å; F228-I232 HydrophobicContact CB-CD1 4.28Å; F228-I232 HydrophobicContact CB-CG1 4.46Å; F228-I232 PolarHBondContact O-N 3.27Å; E229-I232 PolarHBondContact O-N 2.98Å; E229-I232 VanDerWaalsContact O-N 3.12Å; I232-E234 VanDerWaalsContact C-N 3.31Å; I232-E234 PolarHBondContact O-N 2.97Å; I232-C235 CarbonylContact O-C 3.58Å; I232-C235 PolarHBondContact O-N 2.64Å; I232-L236 PolarHBondContact O-N 3.45Å; I232-L239 HydrophobicContact CG2-CD1 3.78Å; I232-F269 HydrophobicContact CD1-CD1 4.1Å; I232-F269 HydrophobicContact CD1-CD2 3.67Å; I232-F269 HydrophobicContact CD1-CE1 3.98Å; I232-F269 HydrophobicContact CD1-CE2 3.55Å; I232-F269 HydrophobicContact CD1-CG 3.95Å; I232-F269 HydrophobicContact CD1-CZ 3.7Å; I232-F269 HydrophobicContact CG2-CB 4.48Å; I232-F269 HydrophobicContact CG2-CD1 4.14Å; I232-F269 HydrophobicContact CG2-CG 4.31Å
233L96.4Very high95.8Very high55 Ų5547.3 Ų47.329%0.28825%0.251SS..Hα-helixtrans-67.5-29.9-179.4-60.7-177.3000113.1E229 C235 P237 L239E229-L233 HydrophobicContact CG-CD1 3.8Å; E229-L233 HydrophobicContact CG-CG 4.17Å; E229-L233 WeakPolarHBondContact O-CG 3.46Å; E229-L233 PolarHBondContact O-N 2.99Å; L233-C235 VanDerWaalsContact C-N 3.25Å; L233-C235 PolarHBondContact O-N 3.21Å; L233-P237 VanDerWaalsContact O-CA 3.25Å; L233-P237 WeakPolarHBondContact O-CA 3.05Å; L233-L239 HydrophobicContact CD2-CB 4.22Å; L233-L239 WeakPolarHBondContact CD2-O 3.44Å
234E96.5Very high95.6Very high161 Ų16147.3 Ų47.375%0.75225%0.251SS*.Hα-helixtrans-61.6-34.8170.3-176.2-177.2-178.500111.9P230 I232P230-E234 WeakPolarHBondContact O-CB 3.49Å; P230-E234 PolarHBondContact O-N 3.22Å; I232-E234 VanDerWaalsContact C-N 3.31Å; I232-E234 PolarHBondContact O-N 2.97Å
235C96.1Very high95.5Very high40 Ų4047.6 Ų47.627%0.2725%0.253SS..Hα-helixtrans-90.6-37.4-179.6-57.50000113A195 R231 I232 L233A195-C235 HydrophobicContact CB-CB 3.43Å; A195-C235 VanDerWaalsContact CB-CB 3.43Å; R231-C235 PolarHBondContact O-N 2.94Å; R231-C235 PolarHBondContact O-SG 3.27Å; I232-C235 CarbonylContact O-C 3.58Å; I232-C235 PolarHBondContact O-N 2.64Å; L233-C235 VanDerWaalsContact C-N 3.25Å; L233-C235 PolarHBondContact O-N 3.21Å
236L96.2Very high95.5Very high23 Ų2347.6 Ų47.612%0.1225%0.253CS..  trans-135.580.7-174.8-63177000109.1A195 W222 I232 A238 L239A195-L236 HydrophobicContact CB-CD1 4.24Å; A195-L236 HydrophobicContact CB-CG 4.17Å; W222-L236 HydrophobicContact CE3-CD1 3.94Å; W222-L236 HydrophobicContact CZ3-CD1 3.8Å; I232-L236 PolarHBondContact O-N 3.45Å; L236-A238 PolarHBondContact O-N 3.28Å; L236-L239 HydrophobicContact CB-CD1 3.75Å; L236-L239 HydrophobicContact CB-CG 3.87Å; L236-L239 HydrophobicContact CD1-CD1 3.79Å; L236-L239 HydrophobicContact CG-CD1 4.44Å; L236-L239 PolarHBondContact O-N 3.22Å
237P96Very high95.5Very high111 Ų11146.5 Ų46.572%0.72125%0.249SC*.THydrogen-bonded Turntrans-69.7-18.3-170.726.2-35.1000114.3L233 L239L233-P237 VanDerWaalsContact O-CA 3.25Å; L233-P237 WeakPolarHBondContact O-CA 3.05Å; P237-L239 PolarHBondContact O-N 3.29Å
238A95.3Very high95.5Very high63 Ų6341.8 Ų41.852%0.52123%0.228SC..THydrogen-bonded Turntrans-73.9-11.8177.200000113.6L236L236-A238 PolarHBondContact O-N 3.28Å
239L97.7Very high95.2Very high8 Ų844 Ų444%0.04224%0.242CC..  trans-77.5146.5-179.2-58-175000111.6I220 W222 I232 L233 L236 P237 F269 T270 N271I220-L239 HydrophobicContact CG2-CD2 3.53Å; W222-L239 HydrophobicContact CE3-CD1 4.06Å; I232-L239 HydrophobicContact CG2-CD1 3.78Å; L233-L239 HydrophobicContact CD2-CB 4.22Å; L233-L239 WeakPolarHBondContact CD2-O 3.44Å; L236-L239 HydrophobicContact CB-CD1 3.75Å; L236-L239 HydrophobicContact CB-CG 3.87Å; L236-L239 HydrophobicContact CD1-CD1 3.79Å; L236-L239 HydrophobicContact CG-CD1 4.44Å; L236-L239 PolarHBondContact O-N 3.22Å; P237-L239 PolarHBondContact O-N 3.29Å; L239-F269 HydrophobicContact CB-CB 4.43Å; L239-F269 HydrophobicContact CD1-CB 4.19Å; L239-T270 CarbonylContact C-O 3.54Å; L239-T270 WeakPolarHBondContact CA-O 3.45Å; L239-N271 HydrophobicContact CD2-CB 4.03Å
240T97.1Very high94.6Very high64 Ų6444.5 Ų44.539%0.39325%0.245SC..EExtended strand (participates in β ladder)trans-124.6142.3169.6-66.10000109.5F269 T270 P274T240-F269 WeakPolarHBondContact O-CA 3.38Å; T240-T270 PolarHBondContact N-O 2.59Å; T240-T270 PolarHBondContact O-N 3.12Å; T240-P274 HydrophobicContact CG2-CG 3.89Å
241M97.6Very high93.9Very high18 Ų1840.6 Ų40.69%0.08922%0.219CC..EExtended strand (participates in β ladder)trans-84.1129.2176.1-168.2-179.363.500111.2Y226 E229 R267 L268 F269 K311Y226-M241 WeakPolarHBondContact CB-SD 3.43Å; E229-M241 WeakPolarHBondContact OE2-CE 3.43Å; M241-R267 HydrophobicContact CG-CB 3.75Å; M241-R267 HydrophobicContact CG-CG 4.17Å; M241-R267 HydrophobicContact SD-CB 3.96Å; M241-R267 HydrophobicContact SD-CG 3.86Å; M241-L268 CarbonylContact C-O 3.58Å; M241-L268 WeakPolarHBondContact CA-O 3.25Å; M241-F269 HydrophobicContact CB-CD1 3.84Å; M241-F269 HydrophobicContact CB-CE1 3.61Å; M241-F269 HydrophobicContact CB-CZ 4.3Å; M241-F269 HydrophobicContact CG-CD1 4.11Å; M241-F269 HydrophobicContact CG-CE1 3.66Å; M241-F269 HydrophobicContact CG-CE2 4.4Å; M241-F269 HydrophobicContact CG-CZ 3.82Å; M241-F269 HydrophobicContact SD-CE1 3.89Å; M241-F269 HydrophobicContact SD-CZ 3.69Å; M241-K311 HydrophobicContact CE-CB 4.28Å; M241-K311 HydrophobicContact CE-CD 3.86Å; M241-K311 HydrophobicContact CE-CG 3.83Å
242L97.2Very high92.7Very high7 Ų737.3 Ų37.34%0.03722%0.217CC..  trans-91.5158.6172.2-49.2-178.6000111.3Y244 R267 L268 T270 P274 I277L242-Y244 VanDerWaalsContact C-N 3.3Å; L242-Y244 PolarHBondContact O-N 3.37Å; L242-R267 WeakPolarHBondContact O-CD 3.41Å; L242-L268 HydrophobicContact CB-CB 4.23Å; L242-L268 HydrophobicContact CD1-CB 4.07Å; L242-L268 HydrophobicContact CD1-CD1 4.2Å; L242-L268 HydrophobicContact CG-CB 4.28Å; L242-L268 PolarHBondContact N-O 2.73Å; L242-T270 HydrophobicContact CD1-CG2 3.93Å; L242-T270 HydrophobicContact CD2-CG2 4.16Å; L242-T270 HydrophobicContact CG-CG2 4.04Å; L242-P274 HydrophobicContact CD2-CB 3.8Å; L242-P274 HydrophobicContact CD2-CG 4.1Å; L242-I277 HydrophobicContact CD1-CB 4.08Å; L242-I277 HydrophobicContact CD1-CD1 3.47Å; L242-I277 VanDerWaalsContact CD1-CD1 3.47Å; L242-I277 HydrophobicContact CD1-CG1 4.36Å; L242-I277 HydrophobicContact CD1-CG2 3.76Å
243D95.3Very high91.6Very high9 Ų942 Ų425%0.04824%0.242CC..  trans-81-7.5-178.8-8732.8000113.6Q245 L279 Y285 R293 V295 C296 N299D243-Q245 PolarHBondContact O-N 3.42Å; D243-L279 HydrophobicContact CB-CD1 4.32Å; D243-Y285 HydrophobicContact CB-CE1 4.29Å; D243-Y285 WeakPolarHBondContact O-CE1 3.47Å; D243-Y285 PolarHBondContact O-OH 2.75Å; D243-R293 IonicContact OD1-CZ 3.9Å; D243-R293 IonicContact OD1-NH1 2.59Å; D243-R293 PolarHBondContact OD1-NH1 3.49Å; D243-R293 IonicContact OD1-NH2 3.3Å; D243-V295 VanDerWaalsContact OD2-CA 3.24Å; D243-V295 WeakPolarHBondContact OD2-CA 3.37Å; D243-V295 WeakPolarHBondContact OD2-CB 3.22Å; D243-C296 PolarHBondContact OD2-N 3.34Å; D243-N299 PolarHBondContact OD2-ND2 3.42Å
244Y95.6Very high90.6Very high0 Ų040.8 Ų40.80%023%0.234CC..  trans-61.6131.6-178-171.6-107.4000111.8F94 L242 V246 R267 L268 L279 P280 Y285F94-Y244 HydrophobicContact CB-CE1 4.36Å; F94-Y244 HydrophobicContact CB-CE2 4.44Å; F94-Y244 WeakPolarHBondContact CB-OH 3.4Å; F94-Y244 AromaticContact CD1-CD1 3.6Å; F94-Y244 HydrophobicContact CD1-CD1 3.6Å; F94-Y244 HydrophobicContact CD1-CD2 4.19Å; F94-Y244 AromaticContact CD1-CE1 3.23Å; F94-Y244 HydrophobicContact CD1-CE1 3.23Å; F94-Y244 AromaticContact CD1-CE2 3.88Å; F94-Y244 HydrophobicContact CD1-CE2 3.88Å; F94-Y244 HydrophobicContact CD1-CG 4.06Å; F94-Y244 AromaticContact CD1-CZ 3.38Å; F94-Y244 HydrophobicContact CD2-CD2 4.4Å; F94-Y244 AromaticContact CD2-CE2 3.97Å; F94-Y244 HydrophobicContact CD2-CE2 3.97Å; F94-Y244 AromaticContact CE1-CD1 3.52Å; F94-Y244 HydrophobicContact CE1-CD1 3.52Å; F94-Y244 HydrophobicContact CE1-CD2 4.01Å; F94-Y244 AromaticContact CE1-CE1 3.7Å; F94-Y244 HydrophobicContact CE1-CE1 3.7Å; F94-Y244 HydrophobicContact CE1-CE2 4.18Å; F94-Y244 AromaticContact CE1-CG 3.68Å; F94-Y244 HydrophobicContact CE1-CG 3.68Å; F94-Y244 HydrophobicContact CE2-CD2 4.23Å; F94-Y244 HydrophobicContact CE2-CE2 4.25Å; F94-Y244 HydrophobicContact CG-CD1 4.46Å; F94-Y244 HydrophobicContact CG-CD2 4.39Å; F94-Y244 AromaticContact CG-CE1 3.84Å; F94-Y244 HydrophobicContact CG-CE1 3.84Å; F94-Y244 AromaticContact CG-CE2 3.78Å; F94-Y244 HydrophobicContact CG-CE2 3.78Å; F94-Y244 AromaticContact CG-CZ 3.46Å; F94-Y244 VanDerWaalsContact CG-CZ 3.46Å; F94-Y244 HydrophobicContact CZ-CD1 4.32Å; F94-Y244 HydrophobicContact CZ-CD2 4.04Å; F94-Y244 HydrophobicContact CZ-CE2 4.37Å; F94-Y244 HydrophobicContact CZ-CG 4.01Å; L242-Y244 VanDerWaalsContact C-N 3.3Å; L242-Y244 PolarHBondContact O-N 3.37Å; Y244-V246 HydrophobicContact CD1-CG2 3.99Å; Y244-V246 HydrophobicContact CE1-CG2 4.23Å; Y244-R267 VanDerWaalsContact O-CD 3.22Å; Y244-R267 WeakPolarHBondContact O-CD 3.41Å; Y244-L268 HydrophobicContact CD1-CD1 3.99Å; Y244-L268 HydrophobicContact CD1-CG 4.33Å; Y244-L268 HydrophobicContact CG-CD1 4.39Å; Y244-L279 HydrophobicContact CD2-CD2 4.05Å; Y244-L279 HydrophobicContact CG-CD2 4.15Å; Y244-P280 HydrophobicContact CE2-CG 4.15Å; Y244-Y285 WeakPolarHBondContact CA-OH 3.48Å; Y244-Y285 AromaticContact CD2-CE2 3.99Å; Y244-Y285 HydrophobicContact CD2-CE2 3.99Å; Y244-Y285 HydrophobicContact CE2-CE2 4.32Å
245Q93.6Very high89.4Confident6 Ų637.4 Ų37.43%0.02822%0.217CC..  trans-99.5105.7-175.3-61.1-177.835.500109.4D243 H256 Q263 Y285D243-Q245 PolarHBondContact O-N 3.42Å; Q245-H256 PolarHBondContact OE1-NE2 2.82Å; Q245-Q263 VanDerWaalsContact OE1-CG 3.25Å; Q245-Y285 WeakPolarHBondContact CG-OH 2.87Å; Q245-Y285 PolarHBondContact N-OH 2.98Å
246V94.4Very high88Confident0 Ų039.4 Ų39.40%022%0.222CC..  trans-79.3125.5179.6-174.30000109.9F87 I223 Y244 Y248 S264 V266 L268F87-V246 HydrophobicContact CD1-CG1 3.6Å; F87-V246 HydrophobicContact CE1-CG1 3.7Å; I223-V246 HydrophobicContact CG2-CB 4.28Å; I223-V246 HydrophobicContact CG2-CG1 4.14Å; I223-V246 HydrophobicContact CG2-CG2 4.03Å; Y244-V246 HydrophobicContact CD1-CG2 3.99Å; Y244-V246 HydrophobicContact CE1-CG2 4.23Å; V246-Y248 HydrophobicContact CB-CE2 4.34Å; V246-Y248 HydrophobicContact CG1-CE2 3.82Å; V246-S264 WeakPolarHBondContact O-CB 3.42Å; V246-S264 PolarHBondContact O-OG 3.15Å; V246-V266 HydrophobicContact CB-CB 4.21Å; V246-V266 HydrophobicContact CB-CG1 4.02Å; V246-V266 HydrophobicContact CG2-CG1 4.49Å; V246-V266 PolarHBondContact N-O 3.36Å; V246-V266 VanDerWaalsContact N-O 3.17Å; V246-L268 HydrophobicContact CG2-CD2 3.45Å; V246-L268 VanDerWaalsContact CG2-CD2 3.45Å; V246-L268 HydrophobicContact CG2-CG 4.21Å
247D92Very high86.1Confident5 Ų539.7 Ų39.73%0.02723%0.23CC..  trans-107.7148.5179.3-82.6-5.8000112.6F87 T88 R90 S91 K255 H256 S264F87-D247 WeakPolarHBondContact CA-O 3.44Å; T88-D247 HydrophobicContact CG2-CB 3.58Å; T88-D247 PolarHBondContact N-O 3.37Å; T88-D247 WeakPolarHBondContact OG1-CB 3.5Å; T88-D247 PolarHBondContact OG1-O 3.08Å; R90-D247 IonicContact CZ-OD2 4Å; R90-D247 IonicContact NH1-OD2 2.68Å; R90-D247 VanDerWaalsContact NH2-CG 3.29Å; R90-D247 IonicContact NH2-OD1 3.97Å; R90-D247 IonicContact NH2-OD2 3.22Å; R90-D247 PolarHBondContact NH2-OD2 2.87Å; S91-D247 PolarHBondContact OG-N 3.37Å; D247-K255 WeakPolarHBondContact OD1-CA 3.45Å; D247-H256 IonicContact OD1-CE1 2.65Å; D247-H256 PolarHBondContact OD1-N 3.44Å; D247-H256 IonicContact OD1-ND1 3.32Å; D247-H256 PolarHBondContact OD1-ND1 3.43Å; D247-H256 IonicContact OD2-CE1 3.6Å; D247-H256 IonicContact OD2-CG 2.77Å; D247-H256 PolarHBondContact OD2-N 3.31Å; D247-H256 IonicContact OD2-ND1 3.9Å; D247-H256 PolarHBondContact OD2-ND1 3.03Å; D247-S264 WeakPolarHBondContact OD1-CB 3.21Å
248Y91.8Very high83.6Confident0 Ų044.3 Ų44.30%024%0.239CC..BIsolated β-bridgetrans-125138.9-179-63.3-94.3000111.6Y85 L86 F87 D184 F187 I223 V246 Y254 V266Y85-Y248 VanDerWaalsContact CB-CD1 3.43Å; L86-Y248 CarbonylContact O-C 3.57Å; L86-Y248 VanDerWaalsContact O-CA 3.29Å; L86-Y248 WeakPolarHBondContact O-CA 3.5Å; F87-Y248 HydrophobicContact CD1-CD1 4.08Å; F87-Y248 AromaticContact CD1-CE1 3.52Å; F87-Y248 HydrophobicContact CD1-CE1 3.52Å; F87-Y248 AromaticContact CD1-CZ 3.84Å; F87-Y248 AromaticContact CE1-CE1 3.59Å; F87-Y248 HydrophobicContact CE1-CE1 3.59Å; F87-Y248 AromaticContact CE1-CZ 3.67Å; F87-Y248 WeakPolarHBondContact CE1-OH 3.28Å; D184-Y248 PolarHBondContact OD1-OH 3.23Å; D184-Y248 WeakPolarHBondContact OD2-CE1 3.49Å; D184-Y248 PolarHBondContact OD2-OH 3.21Å; F187-Y248 HydrophobicContact CZ-CE1 4.47Å; F187-Y248 HydrophobicContact CZ-CE2 4.08Å; F187-Y248 AromaticContact CZ-CZ 3.8Å; I223-Y248 WeakPolarHBondContact CG2-OH 3.34Å; V246-Y248 HydrophobicContact CB-CE2 4.34Å; V246-Y248 HydrophobicContact CG1-CE2 3.82Å; Y248-Y254 PolarHBondContact N-O 3.3Å; Y248-V266 HydrophobicContact CE2-CB 4Å; Y248-V266 HydrophobicContact CE2-CG1 3.99Å; Y248-V266 HydrophobicContact CE2-CG2 3.83Å
249D88.8Confident81Confident82 Ų8247.7 Ų47.744%0.43925%0.253SS..SBendtrans-66.5-44.5179.5-81.7-7000111.9L86 T88 R114L86-D249 PolarHBondContact O-N 3.26Å; T88-D249 WeakPolarHBondContact CG2-OD1 3.31Å; R114-D249 IonicContact CZ-OD2 3.57Å; R114-D249 VanDerWaalsContact NH1-CG 3.3Å; R114-D249 IonicContact NH1-OD2 3.56Å; R114-D249 PolarHBondContact NH1-OD2 3Å; R114-D249 IonicContact NH2-OD2 3.74Å; R114-D249 PolarHBondContact NH2-OD2 3.25Å
250N82.9Confident78.9Confident42 Ų4250.7 Ų50.723%0.22529%0.286CS..SBendtrans-104.212.2-167.966.7-35.8000113.8P75 Q84 Y85 L86P75-N250 WeakPolarHBondContact CB-ND2 3.49Å; Q84-N250 PolarHBondContact O-ND2 3.35Å; Y85-N250 VanDerWaalsContact CA-OD1 3.31Å; Y85-N250 WeakPolarHBondContact CA-OD1 3.5Å; L86-N250 PolarHBondContact N-OD1 3.49Å
251H80.7Confident76.8Confident7 Ų754.7 Ų54.73%0.03229%0.294CS..  trans-99.4127.5171.8-163.3-84.2000111.5Y85 L253 Y254Y85-H251 HydrophobicContact CD1-CB 4.02Å; Y85-H251 AromaticContact CD1-CD2 3.67Å; Y85-H251 AromaticContact CD2-CD2 3.93Å; Y85-H251 HydrophobicContact CE1-CB 4.44Å; Y85-H251 AromaticContact CE1-CD2 3.4Å; Y85-H251 WeakPolarHBondContact CE1-CD2 3.35Å; Y85-H251 AromaticContact CE2-CD2 3.66Å; Y85-H251 HydrophobicContact CG-CB 4.36Å; Y85-H251 AromaticContact CG-CD2 3.92Å; Y85-H251 AromaticContact CZ-CD2 3.37Å; Y85-H251 AromaticContact CZ-NE2 3.93Å; H251-L253 VanDerWaalsContact C-N 3.26Å; H251-L253 PolarHBondContact ND1-N 3.33Å; H251-L253 VanDerWaalsContact ND1-N 3.14Å; H251-L253 PolarHBondContact O-N 3.22Å; H251-Y254 HydrophobicContact CB-CG 4.39Å; H251-Y254 AromaticContact CD2-CD2 3.74Å; H251-Y254 AromaticContact CE1-CD1 3.33Å; H251-Y254 WeakPolarHBondContact CE1-CD1 3.38Å; H251-Y254 AromaticContact CE1-CD2 3.51Å; H251-Y254 AromaticContact CE1-CE1 3.44Å; H251-Y254 VanDerWaalsContact CE1-CE1 3.44Å; H251-Y254 WeakPolarHBondContact CE1-CE1 3.48Å; H251-Y254 AromaticContact CE1-CE2 3.67Å; H251-Y254 AromaticContact CE1-CG 3.35Å; H251-Y254 AromaticContact CE1-CZ 3.62Å; H251-Y254 AromaticContact CG-CD2 3.72Å; H251-Y254 AromaticContact CG-CG 3.65Å; H251-Y254 WeakPolarHBondContact ND1-CB 3.46Å; H251-Y254 AromaticContact ND1-CD1 3.39Å; H251-Y254 WeakPolarHBondContact ND1-CD1 3.49Å; H251-Y254 AromaticContact ND1-CD2 3.55Å; H251-Y254 AromaticContact ND1-CG 3.1Å; H251-Y254 PolarHBondContact ND1-N 3.18Å; H251-Y254 AromaticContact NE2-CD2 3.68Å; H251-Y254 AromaticContact NE2-CE2 3.66Å; H251-Y254 AromaticContact NE2-CZ 3.91Å
252P70Confident75.2Confident82 Ų8263.3 Ų63.353%0.53233%0.326SS..SBendtrans-66.7-25.3-17524.6-34.3000114
253L72.3Confident74.2Confident100 Ų10065.2 Ų65.252%0.52433%0.334SS..SBendtrans-119.5-8.3-173.3-61.1174.6000114.6H251H251-L253 VanDerWaalsContact C-N 3.26Å; H251-L253 PolarHBondContact ND1-N 3.33Å; H251-L253 VanDerWaalsContact ND1-N 3.14Å; H251-L253 PolarHBondContact O-N 3.22Å
254Y76.4Confident73.9Confident28 Ų2864.8 Ų64.811%0.1133%0.332CS..SBendtrans-113.454.1-171-59.8-6.4000109.5F187 P225 Y248 H251 P265 V266F187-Y254 AromaticContact CD2-CD2 4Å; F187-Y254 HydrophobicContact CD2-CD2 4Å; F187-Y254 AromaticContact CD2-CE2 3.4Å; F187-Y254 HydrophobicContact CD2-CE2 3.4Å; F187-Y254 AromaticContact CE2-CD2 3.5Å; F187-Y254 HydrophobicContact CE2-CD2 3.5Å; F187-Y254 AromaticContact CE2-CE2 3.41Å; F187-Y254 HydrophobicContact CE2-CE2 3.41Å; F187-Y254 VanDerWaalsContact CE2-CE2 3.41Å; F187-Y254 HydrophobicContact CG-CE2 4.06Å; F187-Y254 HydrophobicContact CZ-CD2 4.08Å; F187-Y254 HydrophobicContact CZ-CE2 4.11Å; P225-Y254 HydrophobicContact CG-CE2 4.49Å; Y248-Y254 PolarHBondContact N-O 3.3Å; H251-Y254 HydrophobicContact CB-CG 4.39Å; H251-Y254 AromaticContact CD2-CD2 3.74Å; H251-Y254 AromaticContact CE1-CD1 3.33Å; H251-Y254 WeakPolarHBondContact CE1-CD1 3.38Å; H251-Y254 AromaticContact CE1-CD2 3.51Å; H251-Y254 AromaticContact CE1-CE1 3.44Å; H251-Y254 VanDerWaalsContact CE1-CE1 3.44Å; H251-Y254 WeakPolarHBondContact CE1-CE1 3.48Å; H251-Y254 AromaticContact CE1-CE2 3.67Å; H251-Y254 AromaticContact CE1-CG 3.35Å; H251-Y254 AromaticContact CE1-CZ 3.62Å; H251-Y254 AromaticContact CG-CD2 3.72Å; H251-Y254 AromaticContact CG-CG 3.65Å; H251-Y254 WeakPolarHBondContact ND1-CB 3.46Å; H251-Y254 AromaticContact ND1-CD1 3.39Å; H251-Y254 WeakPolarHBondContact ND1-CD1 3.49Å; H251-Y254 AromaticContact ND1-CD2 3.55Å; H251-Y254 AromaticContact ND1-CG 3.1Å; H251-Y254 PolarHBondContact ND1-N 3.18Å; H251-Y254 AromaticContact NE2-CD2 3.68Å; H251-Y254 AromaticContact NE2-CE2 3.66Å; H251-Y254 AromaticContact NE2-CZ 3.91Å; Y254-P265 HydrophobicContact CD1-CG 3.27Å; Y254-P265 HydrophobicContact CE1-CG 3.2Å; Y254-P265 HydrophobicContact CE2-CG 4.48Å; Y254-P265 HydrophobicContact CG-CG 4.03Å; Y254-V266 HydrophobicContact CD2-CG2 3.48Å; Y254-V266 VanDerWaalsContact CD2-CG2 3.48Å; Y254-V266 HydrophobicContact CE2-CG2 3.91Å; Y254-V266 HydrophobicContact CG-CG2 3.96Å
255K71.4Confident73.7Confident91 Ų9165 Ų6540%0.39633%0.333SS..SBendtrans-149.6154.9178.259.3-177.1178.4-177.90109.1D247 G257D247-K255 WeakPolarHBondContact OD1-CA 3.45Å; K255-G257 PolarHBondContact O-N 2.94Å
256H65.3Low73.7Confident81 Ų8164.7 Ų64.738%0.37533%0.332SS..  trans-63.7125.4165.9-73.970000109.3R90 Q245 D247R90-H256 PolarHBondContact NH2-CE1 2.75Å; R90-H256 PolarHBondContact NH2-ND1 3.41Å; Q245-H256 PolarHBondContact OE1-NE2 2.82Å; D247-H256 IonicContact OD1-CE1 2.65Å; D247-H256 PolarHBondContact OD1-N 3.44Å; D247-H256 IonicContact OD1-ND1 3.32Å; D247-H256 PolarHBondContact OD1-ND1 3.43Å; D247-H256 IonicContact OD2-CE1 3.6Å; D247-H256 IonicContact OD2-CG 2.77Å; D247-H256 PolarHBondContact OD2-N 3.31Å; D247-H256 IonicContact OD2-ND1 3.9Å; D247-H256 PolarHBondContact OD2-ND1 3.03Å
257G57Low73.8Confident29 Ų2965 Ų6530%0.29933%0.333SS..  trans-134.9151.2-174.200000112.8K255K255-G257 PolarHBondContact O-N 2.94Å
258K44.2Very low74.1Confident209 Ų20964.8 Ų64.891%0.90933%0.332SS*.SBendtrans-77.7-21173.3-65.4-173.8-179.8-178.50112.8
259T39.9Very low74.4Confident133 Ų13364.8 Ų64.882%0.81633%0.332SS*.SBendtrans-133.4139.4-179.549.40000110.8
260G53.5Low74.9Confident71 Ų7161 Ų6173%0.73231%0.312SS*.SBendtrans91.3-145.1-177.200000114.4R262G260-R262 PolarHBondContact O-N 2.94Å
261R53.1Low75.6Confident149 Ų14961.3 Ų61.356%0.56231%0.313SS*.  trans-64.9115170.5-80.6-174.9-176.8174.42.8107.8Q263R261-Q263 PolarHBondContact O-N 2.79Å; R261-Q263 VanDerWaalsContact O-N 3.11Å
262R63.9Low76.4Confident199 Ų19961.6 Ų61.675%0.75132%0.315SS*.SBendtrans-68.6-5-179-66-175177.6-179.3-1114.2G260G260-R262 PolarHBondContact O-N 2.94Å
263Q76.5Confident77.6Confident46 Ų4662.3 Ų62.322%0.21531%0.314CS..SBendtrans-145.2140.3-167.3-71.4-175.7700110.8Q245 R261 D312 G313Q245-Q263 VanDerWaalsContact OE1-CG 3.25Å; R261-Q263 PolarHBondContact O-N 2.79Å; R261-Q263 VanDerWaalsContact O-N 3.11Å; Q263-D312 PolarHBondContact OE1-O 2.91Å; Q263-G313 VanDerWaalsContact OE1-CA 3.28Å
264S88Confident78.8Confident1 Ų158.8 Ų58.81%0.00730%0.297CS..  trans-65141.7172.4177.10000110.5V246 D247 V266 R267V246-S264 WeakPolarHBondContact O-CB 3.42Å; V246-S264 PolarHBondContact O-OG 3.15Å; D247-S264 WeakPolarHBondContact OD1-CB 3.21Å; S264-V266 VanDerWaalsContact C-N 3.3Å; S264-V266 PolarHBondContact OG-N 2.94Å; S264-R267 PolarHBondContact O-NH1 3.26Å; S264-R267 PolarHBondContact O-NH2 3.46Å
265P91.1Very high79.8Confident4 Ų462.1 Ų62.13%0.02631%0.312CS..  trans-85.1-0.6171.935.6-34.2000113.3P225 Y226 F227 Y254P225-P265 CarbonylContact C-O 3.58Å; P225-P265 WeakPolarHBondContact CA-O 3.12Å; Y226-P265 HydrophobicContact CD1-CB 3.94Å; Y226-P265 WeakPolarHBondContact CD1-O 3.5Å; Y226-P265 HydrophobicContact CE1-CB 3.68Å; Y226-P265 PolarHBondContact N-O 3.42Å; F227-P265 HydrophobicContact CE1-CB 4.16Å; Y254-P265 HydrophobicContact CD1-CG 3.27Å; Y254-P265 HydrophobicContact CE1-CG 3.2Å; Y254-P265 HydrophobicContact CE2-CG 4.48Å; Y254-P265 HydrophobicContact CG-CG 4.03Å
266V94.4Very high81Confident0 Ų062.3 Ų62.30%031%0.314CS..EExtended strand (participates in β ladder)trans-86.4132.2-176.2-172.50000110.4F187 I223 P225 V246 Y248 Y254 S264F187-V266 HydrophobicContact CE1-CG1 4.32Å; F187-V266 HydrophobicContact CE1-CG2 4.22Å; F187-V266 HydrophobicContact CZ-CG1 4.43Å; F187-V266 HydrophobicContact CZ-CG2 3.91Å; I223-V266 HydrophobicContact CG2-CG1 3.42Å; I223-V266 VanDerWaalsContact CG2-CG1 3.42Å; P225-V266 HydrophobicContact CG-CG2 4.47Å; V246-V266 HydrophobicContact CB-CB 4.21Å; V246-V266 HydrophobicContact CB-CG1 4.02Å; V246-V266 HydrophobicContact CG2-CG1 4.49Å; V246-V266 PolarHBondContact N-O 3.36Å; V246-V266 VanDerWaalsContact N-O 3.17Å; Y248-V266 HydrophobicContact CE2-CB 4Å; Y248-V266 HydrophobicContact CE2-CG1 3.99Å; Y248-V266 HydrophobicContact CE2-CG2 3.83Å; Y254-V266 HydrophobicContact CD2-CG2 3.48Å; Y254-V266 VanDerWaalsContact CD2-CG2 3.48Å; Y254-V266 HydrophobicContact CE2-CG2 3.91Å; Y254-V266 HydrophobicContact CG-CG2 3.96Å; S264-V266 VanDerWaalsContact C-N 3.3Å; S264-V266 PolarHBondContact OG-N 2.94Å
267R96.2Very high82.6Confident5 Ų558.6 Ų58.62%0.01930%0.297CS..EExtended strand (participates in β ladder)trans-128.9170.8-177.9-61.4-64.4175.1-88.2-1.2110.2I223 F224 M241 L242 Y244 S264 F269 K311I223-R267 WeakPolarHBondContact CA-O 3.3Å; F224-R267 PolarHBondContact N-O 2.95Å; F224-R267 PolarHBondContact O-N 3.42Å; M241-R267 HydrophobicContact CG-CB 3.75Å; M241-R267 HydrophobicContact CG-CG 4.17Å; M241-R267 HydrophobicContact SD-CB 3.96Å; M241-R267 HydrophobicContact SD-CG 3.86Å; L242-R267 WeakPolarHBondContact O-CD 3.41Å; Y244-R267 VanDerWaalsContact O-CD 3.22Å; Y244-R267 WeakPolarHBondContact O-CD 3.41Å; S264-R267 PolarHBondContact O-NH1 3.26Å; S264-R267 PolarHBondContact O-NH2 3.46Å; R267-F269 HydrophobicContact CB-CE2 4.49Å; R267-K311 PolarHBondContact NE-O 3.26Å; R267-K311 PolarHBondContact NH2-O 3.15Å
268L98.3Very high84.5Confident2 Ų261.2 Ų61.21%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-97131.3173-49.6-178.6000109.5F94 L95 I221 I223 M241 L242 Y244 V246F94-L268 HydrophobicContact CE1-CD1 3.87Å; L95-L268 HydrophobicContact CD2-CD1 4.23Å; L95-L268 HydrophobicContact CD2-CD2 4.12Å; I221-L268 HydrophobicContact CG2-CB 4.16Å; I221-L268 HydrophobicContact CG2-CD2 3.87Å; I221-L268 HydrophobicContact CG2-CG 4.4Å; I223-L268 HydrophobicContact CD1-CD2 4.2Å; I223-L268 HydrophobicContact CG1-CD2 3.67Å; M241-L268 CarbonylContact C-O 3.58Å; M241-L268 WeakPolarHBondContact CA-O 3.25Å; L242-L268 HydrophobicContact CB-CB 4.23Å; L242-L268 HydrophobicContact CD1-CB 4.07Å; L242-L268 HydrophobicContact CD1-CD1 4.2Å; L242-L268 HydrophobicContact CG-CB 4.28Å; L242-L268 PolarHBondContact N-O 2.73Å; Y244-L268 HydrophobicContact CD1-CD1 3.99Å; Y244-L268 HydrophobicContact CD1-CG 4.33Å; Y244-L268 HydrophobicContact CG-CD1 4.39Å; V246-L268 HydrophobicContact CG2-CD2 3.45Å; V246-L268 VanDerWaalsContact CG2-CD2 3.45Å; V246-L268 HydrophobicContact CG2-CG 4.21Å
269F98.6Very high87Confident0 Ų051.5 Ų51.50%027%0.265CS..EExtended strand (participates in β ladder)trans-112.5125.6169.9-64.8-92.3000108.7I221 W222 F224 E229 I232 L239 T240 M241 R267I221-F269 CarbonylContact C-O 3.53Å; I221-F269 WeakPolarHBondContact CA-O 3.49Å; W222-F269 HydrophobicContact CB-CB 4.27Å; W222-F269 PolarHBondContact N-O 3Å; W222-F269 WeakPolarHBondContact O-CB 3.16Å; W222-F269 WeakPolarHBondContact O-CD2 3.35Å; W222-F269 PolarHBondContact O-N 2.97Å; F224-F269 HydrophobicContact CB-CD2 4.17Å; F224-F269 HydrophobicContact CB-CE2 4.02Å; F224-F269 WeakPolarHBondContact O-CE2 3.3Å; E229-F269 HydrophobicContact CB-CE1 3.64Å; E229-F269 HydrophobicContact CB-CZ 3.91Å; E229-F269 HydrophobicContact CG-CE1 3.88Å; I232-F269 HydrophobicContact CD1-CD1 4.1Å; I232-F269 HydrophobicContact CD1-CD2 3.67Å; I232-F269 HydrophobicContact CD1-CE1 3.98Å; I232-F269 HydrophobicContact CD1-CE2 3.55Å; I232-F269 HydrophobicContact CD1-CG 3.95Å; I232-F269 HydrophobicContact CD1-CZ 3.7Å; I232-F269 HydrophobicContact CG2-CB 4.48Å; I232-F269 HydrophobicContact CG2-CD1 4.14Å; I232-F269 HydrophobicContact CG2-CG 4.31Å; L239-F269 HydrophobicContact CB-CB 4.43Å; L239-F269 HydrophobicContact CD1-CB 4.19Å; T240-F269 WeakPolarHBondContact O-CA 3.38Å; M241-F269 HydrophobicContact CB-CD1 3.84Å; M241-F269 HydrophobicContact CB-CE1 3.61Å; M241-F269 HydrophobicContact CB-CZ 4.3Å; M241-F269 HydrophobicContact CG-CD1 4.11Å; M241-F269 HydrophobicContact CG-CE1 3.66Å; M241-F269 HydrophobicContact CG-CE2 4.4Å; M241-F269 HydrophobicContact CG-CZ 3.82Å; M241-F269 HydrophobicContact SD-CE1 3.89Å; M241-F269 HydrophobicContact SD-CZ 3.69Å; R267-F269 HydrophobicContact CB-CE2 4.49Å
270T98.6Very high89.7Confident1 Ų145.9 Ų45.91%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-149.2151.1-172.4-172.90000113.3I220 L239 T240 L242 I272 I277I220-T270 WeakPolarHBondContact O-CA 3.13Å; I220-T270 WeakPolarHBondContact O-CB 3.39Å; I220-T270 PolarHBondContact O-OG1 3.31Å; L239-T270 CarbonylContact C-O 3.54Å; L239-T270 WeakPolarHBondContact CA-O 3.45Å; T240-T270 PolarHBondContact N-O 2.59Å; T240-T270 PolarHBondContact O-N 3.12Å; L242-T270 HydrophobicContact CD1-CG2 3.93Å; L242-T270 HydrophobicContact CD2-CG2 4.16Å; L242-T270 HydrophobicContact CG-CG2 4.04Å; T270-I272 HydrophobicContact CG2-CB 4.29Å; T270-I272 WeakPolarHBondContact OG1-CB 3.24Å; T270-I272 WeakPolarHBondContact OG1-CG1 3.29Å; T270-I272 PolarHBondContact OG1-N 3.29Å; T270-I277 HydrophobicContact CG2-CD1 3.87Å
271N97.6Very high91.6Very high49 Ų4952.1 Ų52.126%0.26223%0.232SC..SBendtrans-91-1.8166.259.6-9.6000112.4I218 P219 I220 L239I218-N271 PolarHBondContact O-ND2 2.84Å; P219-N271 WeakPolarHBondContact CA-OD1 3.25Å; I220-N271 PolarHBondContact N-OD1 3.01Å; L239-N271 HydrophobicContact CD2-CB 4.03Å
272I97.6Very high93.5Very high13 Ų1352.9 Ų52.97%0.06724%0.242CC..SBendtrans-69.8137.7170.5-59168.9000108.5L102 Y104 V180 P219 I221 T270 P274 I277L102-I272 HydrophobicContact CD1-CD1 4.41Å; L102-I272 HydrophobicContact CD1-CG2 4.18Å; Y104-I272 HydrophobicContact CE2-CD1 3.95Å; V180-I272 HydrophobicContact CG2-CD1 4.28Å; P219-I272 HydrophobicContact CB-CD1 4.39Å; P219-I272 HydrophobicContact CB-CG1 4.17Å; I221-I272 HydrophobicContact CD1-CD1 4.45Å; I221-I272 HydrophobicContact CG1-CD1 4.23Å; T270-I272 HydrophobicContact CG2-CB 4.29Å; T270-I272 WeakPolarHBondContact OG1-CB 3.24Å; T270-I272 WeakPolarHBondContact OG1-CG1 3.29Å; T270-I272 PolarHBondContact OG1-N 3.29Å; I272-P274 VanDerWaalsContact O-CD 3.3Å; I272-P274 WeakPolarHBondContact O-CD 3.37Å; I272-P274 VanDerWaalsContact O-N 3.15Å; I272-I277 HydrophobicContact CB-CD1 4.02Å; I272-I277 HydrophobicContact CG2-CD1 3.9Å; I272-I277 HydrophobicContact CG2-CG1 4.1Å
273L96.6Very high94.8Very high97 Ų9746.3 Ų46.351%0.50822%0.22SC..  trans-55.7119.6-179.3-74.5173000111.1K275 H276L273-K275 HydrophobicContact CB-CG 4.37Å; L273-K275 PolarHBondContact O-N 2.92Å; L273-H276 WeakPolarHBondContact O-CB 3.39Å; L273-H276 PolarHBondContact O-N 3.29Å
274P97Very high95.5Very high26 Ų2645.6 Ų45.617%0.16923%0.225CC..THydrogen-bonded Turntrans-58.1-25.7-174.6-30.236.7000115.2T240 L242 I272 H276 I277 R293T240-P274 HydrophobicContact CG2-CG 3.89Å; L242-P274 HydrophobicContact CD2-CB 3.8Å; L242-P274 HydrophobicContact CD2-CG 4.1Å; I272-P274 VanDerWaalsContact O-CD 3.3Å; I272-P274 WeakPolarHBondContact O-CD 3.37Å; I272-P274 VanDerWaalsContact O-N 3.15Å; P274-H276 VanDerWaalsContact C-N 3.27Å; P274-H276 PolarHBondContact O-N 3.46Å; P274-I277 PolarHBondContact O-N 3.5Å; P274-R293 HydrophobicContact CB-CB 3.74Å
275K97.2Very high95.9Very high99 Ų9945.9 Ų45.943%0.4323%0.226SC..THydrogen-bonded Turntrans-66.8-26.8175.968179.7-174.61770113.4L273 Q292L273-K275 HydrophobicContact CB-CG 4.37Å; L273-K275 PolarHBondContact O-N 2.92Å; K275-Q292 WeakPolarHBondContact CA-O 3.4Å; K275-Q292 HydrophobicContact CB-CB 4.47Å; K275-Q292 VanDerWaalsContact CB-O 3.25Å; K275-Q292 WeakPolarHBondContact CB-O 3.29Å; K275-Q292 PolarHBondContact N-O 3.15Å
276H97.1Very high96.1Very high95 Ų9549.3 Ų49.344%0.4424%0.238SC..THydrogen-bonded Turntrans-82.4-18.5-179.4-60.1165.3000112.3L102 L273 P274 V278L102-H276 HydrophobicContact CD2-CB 3.73Å; L273-H276 WeakPolarHBondContact O-CB 3.39Å; L273-H276 PolarHBondContact O-N 3.29Å; P274-H276 VanDerWaalsContact C-N 3.27Å; P274-H276 PolarHBondContact O-N 3.46Å; H276-V278 PolarHBondContact O-N 3.33Å
277I97.9Very high96.3Very high3 Ų353.1 Ų53.12%0.01526%0.255CS..SBendtrans-91.395.7178.5-62.2170.9000109F94 T98 L102 L242 T270 I272 P274 L279 Y294F94-I277 HydrophobicContact CZ-CG2 4.3Å; T98-I277 HydrophobicContact CG2-CG1 4.33Å; T98-I277 HydrophobicContact CG2-CG2 3.96Å; L102-I277 HydrophobicContact CD1-CG1 4.17Å; L242-I277 HydrophobicContact CD1-CB 4.08Å; L242-I277 HydrophobicContact CD1-CD1 3.47Å; L242-I277 VanDerWaalsContact CD1-CD1 3.47Å; L242-I277 HydrophobicContact CD1-CG1 4.36Å; L242-I277 HydrophobicContact CD1-CG2 3.76Å; T270-I277 HydrophobicContact CG2-CD1 3.87Å; I272-I277 HydrophobicContact CB-CD1 4.02Å; I272-I277 HydrophobicContact CG2-CD1 3.9Å; I272-I277 HydrophobicContact CG2-CG1 4.1Å; P274-I277 PolarHBondContact O-N 3.5Å; I277-L279 HydrophobicContact CG2-CD2 3.99Å; I277-Y294 WeakPolarHBondContact O-CD2 3.13Å
278V97.8Very high96.4Very high84 Ų8453.1 Ų53.151%0.50926%0.256SS..PPolyproline II helixtrans-75.3122.2178.2-1790000109.6H276 Y294H276-V278 PolarHBondContact O-N 3.33Å; V278-Y294 HydrophobicContact CB-CE2 4.11Å; V278-Y294 HydrophobicContact CG1-CE1 3.95Å; V278-Y294 HydrophobicContact CG1-CE2 4.26Å; V278-Y294 HydrophobicContact CG2-CE2 3.9Å
279L97.2Very high96.3Very high5 Ų556.9 Ų56.93%0.02628%0.282CS..PPolyproline II helixtrans-95144.1175.9-57.7-172.7000111.3F94 D243 Y244 I277 R281 Y285 Y294F94-L279 HydrophobicContact CE1-CD2 4.39Å; F94-L279 HydrophobicContact CE2-CD2 3.8Å; F94-L279 HydrophobicContact CZ-CD2 3.39Å; D243-L279 HydrophobicContact CB-CD1 4.32Å; Y244-L279 HydrophobicContact CD2-CD2 4.05Å; Y244-L279 HydrophobicContact CG-CD2 4.15Å; I277-L279 HydrophobicContact CG2-CD2 3.99Å; L279-R281 PolarHBondContact O-N 3.11Å; L279-Y285 HydrophobicContact CB-CD1 3.99Å; L279-Y285 HydrophobicContact CB-CD2 4.04Å; L279-Y285 HydrophobicContact CB-CG 3.6Å; L279-Y285 HydrophobicContact CD1-CD1 3.52Å; L279-Y285 HydrophobicContact CD1-CE1 3.8Å; L279-Y285 HydrophobicContact CD1-CG 4.06Å; L279-Y285 HydrophobicContact CG-CD1 4.41Å; L279-Y285 HydrophobicContact CG-CG 4.49Å; L279-Y294 HydrophobicContact CB-CD1 4.36Å; L279-Y294 HydrophobicContact CB-CG 4.24Å; L279-Y294 HydrophobicContact CG-CG 4.32Å
280P95.4Very high96.2Very high15 Ų1562.6 Ų62.610%0.09731%0.31CS..PPolyproline II helixtrans-63.7123-17220.9-31.1000112.3F94 Y244 E282 E283 Y285F94-P280 HydrophobicContact CD2-CG 4.26Å; Y244-P280 HydrophobicContact CE2-CG 4.15Å; P280-E282 VanDerWaalsContact C-N 3.31Å; P280-E282 HydrophobicContact CB-CG 4.19Å; P280-E282 VanDerWaalsContact CB-OE1 3.26Å; P280-E282 WeakPolarHBondContact CB-OE1 3.29Å; P280-E282 PolarHBondContact O-N 3.23Å; P280-E283 HydrophobicContact CB-CB 4.27Å; P280-E283 HydrophobicContact CB-CG 4Å; P280-E283 HydrophobicContact CG-CB 3.92Å; P280-E283 HydrophobicContact CG-CG 3.74Å; P280-E283 PolarHBondContact O-N 3.34Å; P280-Y285 HydrophobicContact CG-CD2 4.22Å; P280-Y285 WeakPolarHBondContact O-CB 3.13Å; P280-Y285 VanDerWaalsContact O-CD2 3.3Å; P280-Y285 WeakPolarHBondContact O-CD2 3.5Å; P280-Y285 PolarHBondContact O-N 3.3Å
281R94.6Very high96.1Very high201 Ų20164.1 Ų64.176%0.75832%0.32SS*.G310 helixtrans-66-38.7-178.2178.3-176.3-71-102.63111.2L279 E283 G284L279-R281 PolarHBondContact O-N 3.11Å; R281-E283 PolarHBondContact O-N 3.25Å; R281-G284 WeakPolarHBondContact O-CA 3.32Å; R281-G284 PolarHBondContact O-N 3.05Å
282E92.3Very high96.1Very high165 Ų16566.3 Ų66.377%0.77133%0.329SS*.G310 helixtrans-60-25.2177.161.2-83-166.300113.1P280 G284P280-E282 VanDerWaalsContact C-N 3.31Å; P280-E282 HydrophobicContact CB-CG 4.19Å; P280-E282 VanDerWaalsContact CB-OE1 3.26Å; P280-E282 WeakPolarHBondContact CB-OE1 3.29Å; P280-E282 PolarHBondContact O-N 3.23Å; E282-G284 VanDerWaalsContact C-N 3.29Å
283E90.8Very high96.1Very high62 Ų6267.5 Ų67.529%0.2933%0.333SS..G310 helixtrans-88.76.4171.8-60.7-170.6-150.500113.1R90 P280 R281 Y285R90-E283 VanDerWaalsContact CD-OE1 3.22Å; R90-E283 WeakPolarHBondContact CD-OE1 3.19Å; R90-E283 WeakPolarHBondContact CG-OE1 3.47Å; R90-E283 IonicContact CZ-OE2 2.74Å; R90-E283 IonicContact NE-OE1 2.75Å; R90-E283 PolarHBondContact NE-OE1 2.95Å; R90-E283 IonicContact NE-OE2 3.42Å; R90-E283 PolarHBondContact NE-OE2 3.43Å; R90-E283 IonicContact NH2-OE2 3.38Å; P280-E283 HydrophobicContact CB-CB 4.27Å; P280-E283 HydrophobicContact CB-CG 4Å; P280-E283 HydrophobicContact CG-CB 3.92Å; P280-E283 HydrophobicContact CG-CG 3.74Å; P280-E283 PolarHBondContact O-N 3.34Å; R281-E283 PolarHBondContact O-N 3.25Å; E283-Y285 HydrophobicContact CB-CD2 3.9Å; E283-Y285 HydrophobicContact CB-CE2 3.84Å
284G91.9Very high96.1Very high30 Ų3065.4 Ų65.431%0.30932%0.319SS..THydrogen-bonded Turntrans87.327.5176.200000114.3R281 E282 S297R281-G284 WeakPolarHBondContact O-CA 3.32Å; R281-G284 PolarHBondContact O-N 3.05Å; E282-G284 VanDerWaalsContact C-N 3.29Å; G284-S297 VanDerWaalsContact O-CB 3.24Å; G284-S297 WeakPolarHBondContact O-CB 3.49Å; G284-S297 PolarHBondContact O-N 3.34Å; G284-S297 PolarHBondContact O-OG 3.33Å
285Y95.4Very high96.1Very high8 Ų864.2 Ų64.23%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-96.2152.6172.1-63.6-83.8000112.5D243 Y244 Q245 L279 P280 E283 V295 C296D243-Y285 HydrophobicContact CB-CE1 4.29Å; D243-Y285 WeakPolarHBondContact O-CE1 3.47Å; D243-Y285 PolarHBondContact O-OH 2.75Å; Y244-Y285 WeakPolarHBondContact CA-OH 3.48Å; Y244-Y285 AromaticContact CD2-CE2 3.99Å; Y244-Y285 HydrophobicContact CD2-CE2 3.99Å; Y244-Y285 HydrophobicContact CE2-CE2 4.32Å; Q245-Y285 WeakPolarHBondContact CG-OH 2.87Å; Q245-Y285 PolarHBondContact N-OH 2.98Å; L279-Y285 HydrophobicContact CB-CD1 3.99Å; L279-Y285 HydrophobicContact CB-CD2 4.04Å; L279-Y285 HydrophobicContact CB-CG 3.6Å; L279-Y285 HydrophobicContact CD1-CD1 3.52Å; L279-Y285 HydrophobicContact CD1-CE1 3.8Å; L279-Y285 HydrophobicContact CD1-CG 4.06Å; L279-Y285 HydrophobicContact CG-CD1 4.41Å; L279-Y285 HydrophobicContact CG-CG 4.49Å; P280-Y285 HydrophobicContact CG-CD2 4.22Å; P280-Y285 WeakPolarHBondContact O-CB 3.13Å; P280-Y285 VanDerWaalsContact O-CD2 3.3Å; P280-Y285 WeakPolarHBondContact O-CD2 3.5Å; P280-Y285 PolarHBondContact O-N 3.3Å; E283-Y285 HydrophobicContact CB-CD2 3.9Å; E283-Y285 HydrophobicContact CB-CE2 3.84Å; Y285-V295 WeakPolarHBondContact CA-O 3.36Å; Y285-C296 HydrophobicContact CE1-CB 4.37Å
286R96.4Very high95.9Very high76 Ų7660.1 Ų60.129%0.28729%0.294SS..EExtended strand (participates in β ladder)trans-140.1152.7176.966.7178.7-176.176.46.5111.1Y294 V295 S297 N299R286-Y294 CarbonylContact O-C 3.53Å; R286-Y294 WeakPolarHBondContact O-CA 3.47Å; R286-V295 HydrophobicContact CG-CG2 3.91Å; R286-V295 PolarHBondContact N-O 2.9Å; R286-V295 PolarHBondContact O-N 3.16Å; R286-S297 PolarHBondContact NE-O 3.2Å; R286-N299 PolarHBondContact NH2-O 2.92Å
287F97.9Very high95.6Very high80 Ų8058.2 Ų58.235%0.35129%0.292SS..EExtended strand (participates in β ladder)trans-76.4137.7171.3-170.9-111.5000111Y294F287-Y294 HydrophobicContact CB-CD1 4.17Å; F287-Y294 HydrophobicContact CB-CE1 3.88Å; F287-Y294 HydrophobicContact CD2-CD1 4.47Å; F287-Y294 AromaticContact CD2-CD2 3.74Å; F287-Y294 HydrophobicContact CD2-CD2 3.74Å; F287-Y294 HydrophobicContact CD2-CE1 4.3Å; F287-Y294 AromaticContact CD2-CE2 3.53Å; F287-Y294 HydrophobicContact CD2-CE2 3.53Å; F287-Y294 HydrophobicContact CD2-CG 4.19Å; F287-Y294 AromaticContact CD2-CZ 3.82Å; F287-Y294 HydrophobicContact CE2-CD2 4.38Å; F287-Y294 HydrophobicContact CE2-CE2 4.13Å; F287-Y294 HydrophobicContact CG-CE2 4.45Å
288C97.6Very high95.2Very high5 Ų563 Ų633%0.03432%0.317CS..EExtended strand (participates in β ladder)trans-108.1109.7169.3179.60000109.2M290 C291 Q292 R293 V295C288-M290 VanDerWaalsContact C-N 3.33Å; C288-M290 PolarHBondContact O-N 3.48Å; C288-C291 HydrophobicContact CB-CB 4.32Å; C288-C291 PolarHBondContact O-N 3.27Å; C288-Q292 WeakPolarHBondContact O-CA 3.25Å; C288-Q292 PolarHBondContact O-N 3.24Å; C288-R293 PolarHBondContact N-O 3.03Å; C288-R293 PolarHBondContact O-N 3.01Å; C288-V295 HydrophobicContact CB-CG1 4.3Å; C288-V295 HydrophobicContact CB-CG2 4.09Å
289S96.7Very high94.9Very high80 Ų8059 Ų5956%0.55929%0.293SS*.THydrogen-bonded Turntrans-62.5-36179.252.10000113.2Q292S289-Q292 PolarHBondContact O-N 3.44Å; S289-Q292 PolarHBondContact O-NE2 3.04Å
290M96.8Very high94.8Very high121 Ų12164 Ų6460%0.59631%0.314SS*.THydrogen-bonded Turntrans-67.1-40.4179.2-57.3-61.2-72.800112.3C288 H301C288-M290 VanDerWaalsContact C-N 3.33Å; C288-M290 PolarHBondContact O-N 3.48Å; M290-H301 VanDerWaalsContact CB-CE1 3.47Å; M290-H301 WeakPolarHBondContact CB-CE1 3.34Å
291C96.3Very high94.8Very high32 Ų3265.2 Ų65.222%0.21632%0.318CS..THydrogen-bonded Turntrans-93.4-4.7-179.7-62.30000113.6C288 R293 H301 C308C288-C291 HydrophobicContact CB-CB 4.32Å; C288-C291 PolarHBondContact O-N 3.27Å; C291-R293 VanDerWaalsContact C-N 3.27Å; C291-R293 HydrophobicContact CB-CG 3.88Å; C291-R293 PolarHBondContact O-N 3.38Å; C291-H301 PolarHBondContact SG-ND1 2.73Å; C291-C308 VanDerWaalsContact SG-SG 3.68Å
292Q97.4Very high94.9Very high96 Ų9656.5 Ų56.545%0.44929%0.288SS..THydrogen-bonded Turntrans47.747.5-174.8-66-69.3-51.100112.8K275 C288 S289K275-Q292 WeakPolarHBondContact CA-O 3.4Å; K275-Q292 HydrophobicContact CB-CB 4.47Å; K275-Q292 VanDerWaalsContact CB-O 3.25Å; K275-Q292 WeakPolarHBondContact CB-O 3.29Å; K275-Q292 PolarHBondContact N-O 3.15Å; C288-Q292 WeakPolarHBondContact O-CA 3.25Å; C288-Q292 PolarHBondContact O-N 3.24Å; S289-Q292 PolarHBondContact O-N 3.44Å; S289-Q292 PolarHBondContact O-NE2 3.04Å
293R97.3Very high95.1Very high37 Ų3754.3 Ų54.314%0.1429%0.286CS..EExtended strand (participates in β ladder)trans-155.2158.4179.371.8-172-172.690.1-4.9111.9D243 P274 C288 C291 V295 C308D243-R293 IonicContact OD1-CZ 3.9Å; D243-R293 IonicContact OD1-NH1 2.59Å; D243-R293 PolarHBondContact OD1-NH1 3.49Å; D243-R293 IonicContact OD1-NH2 3.3Å; P274-R293 HydrophobicContact CB-CB 3.74Å; C288-R293 PolarHBondContact N-O 3.03Å; C288-R293 PolarHBondContact O-N 3.01Å; C291-R293 VanDerWaalsContact C-N 3.27Å; C291-R293 HydrophobicContact CB-CG 3.88Å; C291-R293 PolarHBondContact O-N 3.38Å; R293-V295 HydrophobicContact CG-CG1 4.01Å; R293-C308 PolarHBondContact NH2-O 3.24Å
294Y97.4Very high95.3Very high54 Ų5458.1 Ų58.121%0.21230%0.302CS..EExtended strand (participates in β ladder)trans-80.3139.1171.5-71.5-98000111.1I277 V278 L279 R286 F287I277-Y294 WeakPolarHBondContact O-CD2 3.13Å; V278-Y294 HydrophobicContact CB-CE2 4.11Å; V278-Y294 HydrophobicContact CG1-CE1 3.95Å; V278-Y294 HydrophobicContact CG1-CE2 4.26Å; V278-Y294 HydrophobicContact CG2-CE2 3.9Å; L279-Y294 HydrophobicContact CB-CD1 4.36Å; L279-Y294 HydrophobicContact CB-CG 4.24Å; L279-Y294 HydrophobicContact CG-CG 4.32Å; R286-Y294 CarbonylContact O-C 3.53Å; R286-Y294 WeakPolarHBondContact O-CA 3.47Å; F287-Y294 HydrophobicContact CB-CD1 4.17Å; F287-Y294 HydrophobicContact CB-CE1 3.88Å; F287-Y294 HydrophobicContact CD2-CD1 4.47Å; F287-Y294 AromaticContact CD2-CD2 3.74Å; F287-Y294 HydrophobicContact CD2-CD2 3.74Å; F287-Y294 HydrophobicContact CD2-CE1 4.3Å; F287-Y294 AromaticContact CD2-CE2 3.53Å; F287-Y294 HydrophobicContact CD2-CE2 3.53Å; F287-Y294 HydrophobicContact CD2-CG 4.19Å; F287-Y294 AromaticContact CD2-CZ 3.82Å; F287-Y294 HydrophobicContact CE2-CD2 4.38Å; F287-Y294 HydrophobicContact CE2-CE2 4.13Å; F287-Y294 HydrophobicContact CG-CE2 4.45Å
295V95.9Very high95.5Very high0 Ų058.2 Ų58.20%030%0.298CS..EExtended strand (participates in β ladder)trans-135.9155.9-175.6-60.80000110.6D243 Y285 R286 C288 R293 N299 C308D243-V295 VanDerWaalsContact OD2-CA 3.24Å; D243-V295 WeakPolarHBondContact OD2-CA 3.37Å; D243-V295 WeakPolarHBondContact OD2-CB 3.22Å; Y285-V295 WeakPolarHBondContact CA-O 3.36Å; R286-V295 HydrophobicContact CG-CG2 3.91Å; R286-V295 PolarHBondContact N-O 2.9Å; R286-V295 PolarHBondContact O-N 3.16Å; C288-V295 HydrophobicContact CB-CG1 4.3Å; C288-V295 HydrophobicContact CB-CG2 4.09Å; R293-V295 HydrophobicContact CG-CG1 4.01Å; V295-N299 HydrophobicContact CB-CB 4.31Å; V295-C308 HydrophobicContact CG1-CB 3.84Å
296C93.1Very high95.5Very high13 Ų1362.8 Ų62.89%0.08832%0.322CS..EExtended strand (participates in β ladder)trans-59.1141.3169.5179.70000109.4D243 Y285 L298 N299D243-C296 PolarHBondContact OD2-N 3.34Å; Y285-C296 HydrophobicContact CE1-CB 4.37Å; C296-L298 PolarHBondContact O-N 3.47Å; C296-L298 VanDerWaalsContact O-N 3.12Å; C296-N299 HydrophobicContact CB-CB 4.19Å; C296-N299 WeakPolarHBondContact O-CA 3.45Å; C296-N299 VanDerWaalsContact O-CB 3.27Å; C296-N299 WeakPolarHBondContact O-CB 3.33Å; C296-N299 PolarHBondContact O-N 2.67Å
297S91.3Very high95.4Very high56 Ų5662.7 Ų62.739%0.39233%0.327SS..THydrogen-bonded Turntrans-56.3-34.7-177.1-68.10000113.2G284 R286 N299G284-S297 VanDerWaalsContact O-CB 3.24Å; G284-S297 WeakPolarHBondContact O-CB 3.49Å; G284-S297 PolarHBondContact O-N 3.34Å; G284-S297 PolarHBondContact O-OG 3.33Å; R286-S297 PolarHBondContact NE-O 3.2Å; S297-N299 VanDerWaalsContact C-N 3.34Å
298L88.9Confident95.3Very high102 Ų10259.1 Ų59.153%0.53431%0.312SS..THydrogen-bonded Turntrans-78.4-12.8176.7-62.9178.8000114.1C296 K300 G313C296-L298 PolarHBondContact O-N 3.47Å; C296-L298 VanDerWaalsContact O-N 3.12Å; L298-K300 PolarHBondContact O-N 3.39Å; L298-K300 VanDerWaalsContact O-N 3.12Å; L298-G313 WeakPolarHBondContact CB-O 3.38Å; L298-G313 WeakPolarHBondContact CD1-O 2.98Å
299N93.4Very high95.1Very high1 Ų159.5 Ų59.51%0.00531%0.314CS..  trans-79.290.1173-171.44.7000109.3D243 R286 V295 C296 S297 C308 S310D243-N299 PolarHBondContact OD2-ND2 3.42Å; R286-N299 PolarHBondContact NH2-O 2.92Å; V295-N299 HydrophobicContact CB-CB 4.31Å; C296-N299 HydrophobicContact CB-CB 4.19Å; C296-N299 WeakPolarHBondContact O-CA 3.45Å; C296-N299 VanDerWaalsContact O-CB 3.27Å; C296-N299 WeakPolarHBondContact O-CB 3.33Å; C296-N299 PolarHBondContact O-N 2.67Å; S297-N299 VanDerWaalsContact C-N 3.34Å; N299-C308 VanDerWaalsContact OD1-C 3.28Å; N299-S310 VanDerWaalsContact CG-CB 3.43Å; N299-S310 PolarHBondContact ND2-O 3.46Å; N299-S310 WeakPolarHBondContact OD1-CB 3.35Å; N299-S310 PolarHBondContact OD1-N 3.36Å
300K93.7Very high94.9Very high111 Ų11155.8 Ų55.848%0.48329%0.289SS..  trans-76139.4179.1-62.6-166.4-169.31600111.4L298 C302 P309 E315L298-K300 PolarHBondContact O-N 3.39Å; L298-K300 VanDerWaalsContact O-N 3.12Å; K300-C302 PolarHBondContact O-N 3.22Å; K300-P309 VanDerWaalsContact O-CD 3.24Å; K300-P309 WeakPolarHBondContact O-CD 3.47Å; K300-E315 HydrophobicContact CD-CG 4.2Å; K300-E315 VanDerWaalsContact CD-OE1 3.25Å; K300-E315 WeakPolarHBondContact CD-OE1 3.49Å; K300-E315 VanDerWaalsContact CE-OE1 3.31Å; K300-E315 WeakPolarHBondContact CE-OE1 3.32Å; K300-E315 WeakPolarHBondContact CE-OE2 3.37Å; K300-E315 HydrophobicContact CG-CG 4.33Å; K300-E315 IonicContact NZ-OE1 2.67Å; K300-E315 PolarHBondContact NZ-OE1 3.1Å; K300-E315 IonicContact NZ-OE2 3.55Å; K300-E315 PolarHBondContact NZ-OE2 2.86Å
301H96.4Very high94.5Very high39 Ų3953.1 Ų53.118%0.18127%0.274CS..  trans-67.2129174.4-179.494.9000109.7M290 C291 N306 L307M290-H301 VanDerWaalsContact CB-CE1 3.47Å; M290-H301 WeakPolarHBondContact CB-CE1 3.34Å; C291-H301 PolarHBondContact SG-ND1 2.73Å; H301-N306 VanDerWaalsContact CE1-C 3.46Å; H301-N306 PolarHBondContact CE1-OD1 3.33Å; H301-L307 PolarHBondContact CE1-N 3.06Å
302C96.7Very high93.8Very high18 Ų1852.4 Ų52.412%0.12227%0.268CS..BIsolated β-bridgetrans-93.5109.5172.2-179.90000109.5K300 K304 C305 N306 L307 C325K300-C302 PolarHBondContact O-N 3.22Å; C302-K304 VanDerWaalsContact C-N 3.27Å; C302-K304 PolarHBondContact O-N 3.48Å; C302-C305 HydrophobicContact CB-CB 4.26Å; C302-C305 PolarHBondContact O-N 2.8Å; C302-N306 WeakPolarHBondContact O-CA 3.16Å; C302-N306 PolarHBondContact O-N 2.84Å; C302-L307 PolarHBondContact N-O 3.19Å; C302-L307 PolarHBondContact O-N 2.72Å; C302-C325 WeakPolarHBondContact CB-SG 3.29Å; C302-C325 PolarHBondContact SG-SG 3.24Å
303T95.8Very high92.7Very high119 Ų11948 Ų4873%0.7325%0.248SC*.THydrogen-bonded Turntrans-61.3-33.8178.6520000112.8N306T303-N306 PolarHBondContact O-N 3.4Å
304K95.9Very high92.1Very high142 Ų14251.5 Ų51.562%0.61726%0.261SS*.THydrogen-bonded Turntrans-68.7-34.1178.1-63.9-178.3176.8-1760113.6C302 H318C302-K304 VanDerWaalsContact C-N 3.27Å; C302-K304 PolarHBondContact O-N 3.48Å; K304-H318 VanDerWaalsContact CD-CD2 3.48Å; K304-H318 WeakPolarHBondContact CD-CD2 3.36Å
305C95.5Very high91.8Very high33 Ų3353.5 Ų53.522%0.22327%0.273CS..THydrogen-bonded Turntrans-98.4-5.1177.4-65.40000112.6C302 L307 H318 C325C302-C305 HydrophobicContact CB-CB 4.26Å; C302-C305 PolarHBondContact O-N 2.8Å; C305-L307 HydrophobicContact CB-CD1 4.29Å; C305-L307 HydrophobicContact CB-CD2 3.94Å; C305-L307 HydrophobicContact CB-CG 3.68Å; C305-L307 WeakPolarHBondContact O-CG 3.16Å; C305-L307 PolarHBondContact O-N 3.4Å; C305-H318 PolarHBondContact SG-CE1 3.21Å; C305-H318 PolarHBondContact SG-ND1 3.04Å; C305-C325 VanDerWaalsContact SG-SG 3.61Å
306N95.2Very high91.7Very high103 Ų10355.9 Ų55.955%0.55128%0.282SS*.THydrogen-bonded Turntrans46.743.2-171-16426.3000114.2H301 C302 T303H301-N306 VanDerWaalsContact CE1-C 3.46Å; H301-N306 PolarHBondContact CE1-OD1 3.33Å; C302-N306 WeakPolarHBondContact O-CA 3.16Å; C302-N306 PolarHBondContact O-N 2.84Å; T303-N306 PolarHBondContact O-N 3.4Å
307L94.9Very high91.7Very high75 Ų7560 Ų6039%0.39330%0.298SS..BIsolated β-bridgetrans-151.9159-178.661.984.2000111.9H301 C302 C305 P309H301-L307 PolarHBondContact CE1-N 3.06Å; C302-L307 PolarHBondContact N-O 3.19Å; C302-L307 PolarHBondContact O-N 2.72Å; C305-L307 HydrophobicContact CB-CD1 4.29Å; C305-L307 HydrophobicContact CB-CD2 3.94Å; C305-L307 HydrophobicContact CB-CG 3.68Å; C305-L307 WeakPolarHBondContact O-CG 3.16Å; C305-L307 PolarHBondContact O-N 3.4Å; L307-P309 HydrophobicContact CD1-CB 3.41Å; L307-P309 VanDerWaalsContact CD1-CB 3.41Å; L307-P309 HydrophobicContact CD1-CG 4.22Å; L307-P309 VanDerWaalsContact O-CD 3.29Å; L307-P309 WeakPolarHBondContact O-CD 3.47Å
308C95.6Very high92Very high5 Ų559.8 Ų59.83%0.03429%0.291CS..  trans-91.5100.8167.1-61.90000108.8C291 R293 V295 N299C291-C308 VanDerWaalsContact SG-SG 3.68Å; R293-C308 PolarHBondContact NH2-O 3.24Å; V295-C308 HydrophobicContact CG1-CB 3.84Å; N299-C308 VanDerWaalsContact OD1-C 3.28Å
309P93.4Very high92.3Very high12 Ų1255.7 Ų55.78%0.07827%0.271CS..  trans-82.8-21-16231.2-35.4000115K300 L307 K311 W316 C325K300-P309 VanDerWaalsContact O-CD 3.24Å; K300-P309 WeakPolarHBondContact O-CD 3.47Å; L307-P309 HydrophobicContact CD1-CB 3.41Å; L307-P309 VanDerWaalsContact CD1-CB 3.41Å; L307-P309 HydrophobicContact CD1-CG 4.22Å; L307-P309 VanDerWaalsContact O-CD 3.29Å; L307-P309 WeakPolarHBondContact O-CD 3.47Å; P309-K311 PolarHBondContact O-N 3.39Å; P309-W316 HydrophobicContact CB-CB 4.47Å; P309-W316 HydrophobicContact CB-CE3 4.18Å; P309-W316 HydrophobicContact CG-CB 3.97Å; P309-C325 HydrophobicContact CB-CB 3.3Å; P309-C325 HydrophobicContact CG-CB 3.65Å
310S91.6Very high92.4Very high3 Ų359.8 Ų59.82%0.02130%0.299CS..  trans-71.2125.8-170-173.40000111.2N299 D312 G313 R314 W316N299-S310 VanDerWaalsContact CG-CB 3.43Å; N299-S310 PolarHBondContact ND2-O 3.46Å; N299-S310 WeakPolarHBondContact OD1-CB 3.35Å; N299-S310 PolarHBondContact OD1-N 3.36Å; S310-D312 PolarHBondContact OG-OD1 3.33Å; S310-G313 PolarHBondContact OG-N 2.65Å; S310-R314 WeakPolarHBondContact CB-O 3.47Å; S310-R314 PolarHBondContact OG-N 3.06Å; S310-R314 PolarHBondContact OG-O 3.16Å; S310-W316 PolarHBondContact OG-NE1 3.26Å
311K88.1Confident92.5Very high64 Ų6458.1 Ų58.128%0.27831%0.306SS..SBendtrans-102.1-16.1175.3-54.7-173.4177.3-175.10112.5Y226 E229 M241 R267 P309 W316Y226-K311 HydrophobicContact CD2-CB 3.71Å; Y226-K311 HydrophobicContact CD2-CD 4.25Å; Y226-K311 HydrophobicContact CE2-CB 4.1Å; Y226-K311 HydrophobicContact CG-CB 4.07Å; E229-K311 IonicContact OE1-NZ 2.67Å; E229-K311 PolarHBondContact OE1-NZ 3.02Å; E229-K311 WeakPolarHBondContact OE2-CE 3.49Å; E229-K311 IonicContact OE2-NZ 3.6Å; E229-K311 PolarHBondContact OE2-NZ 2.88Å; M241-K311 HydrophobicContact CE-CB 4.28Å; M241-K311 HydrophobicContact CE-CD 3.86Å; M241-K311 HydrophobicContact CE-CG 3.83Å; R267-K311 PolarHBondContact NE-O 3.26Å; R267-K311 PolarHBondContact NH2-O 3.15Å; P309-K311 PolarHBondContact O-N 3.39Å; K311-W316 HydrophobicContact CB-CZ2 4.41Å; K311-W316 HydrophobicContact CG-CH2 4.45Å
312D81.3Confident92.4Very high17 Ų1757.9 Ų57.99%0.09131%0.309CS..SBendtrans-118.122.5-174.264.56.3000112.8Q263 S310 R314 W316Q263-D312 PolarHBondContact OE1-O 2.91Å; S310-D312 PolarHBondContact OG-OD1 3.33Å; D312-R314 PolarHBondContact O-N 2.9Å; D312-R314 PolarHBondContact OD1-N 2.84Å; D312-R314 IonicContact OD1-NE 3.41Å; D312-R314 IonicContact OD2-CZ 2.97Å; D312-R314 IonicContact OD2-NE 2.63Å; D312-R314 PolarHBondContact OD2-NE 2.77Å; D312-R314 IonicContact OD2-NH2 3.31Å; D312-R314 PolarHBondContact OD2-NH2 3.25Å; D312-W316 PolarHBondContact OD1-NE1 2.91Å
313G75.8Confident92.3Very high4 Ų459.6 Ų59.64%0.04133%0.329CS..SBendtrans63.510.9173.700000115.4Q263 L298 S310Q263-G313 VanDerWaalsContact OE1-CA 3.28Å; L298-G313 WeakPolarHBondContact CB-O 3.38Å; L298-G313 WeakPolarHBondContact CD1-O 2.98Å; S310-G313 PolarHBondContact OG-N 2.65Å
314R84.3Confident92.2Very high110 Ų11059 Ų5942%0.41532%0.316SS..SBendtrans-97.9157.8172.3-64.1-178.8-70.2-178-2.9110.8S310 D312 W316 P328S310-R314 WeakPolarHBondContact CB-O 3.47Å; S310-R314 PolarHBondContact OG-N 3.06Å; S310-R314 PolarHBondContact OG-O 3.16Å; D312-R314 PolarHBondContact O-N 2.9Å; D312-R314 PolarHBondContact OD1-N 2.84Å; D312-R314 IonicContact OD1-NE 3.41Å; D312-R314 IonicContact OD2-CZ 2.97Å; D312-R314 IonicContact OD2-NE 2.63Å; D312-R314 PolarHBondContact OD2-NE 2.77Å; D312-R314 IonicContact OD2-NH2 3.31Å; D312-R314 PolarHBondContact OD2-NH2 3.25Å; R314-W316 PolarHBondContact O-N 3.19Å; R314-P328 HydrophobicContact CB-CG 4.45Å
315E90.3Very high92.2Very high97 Ų9753 Ų5345%0.45329%0.292SS..PPolyproline II helixtrans-68.7117.8170.7-173.1171.7175.500110.1K300 P328K300-E315 HydrophobicContact CD-CG 4.2Å; K300-E315 VanDerWaalsContact CD-OE1 3.25Å; K300-E315 WeakPolarHBondContact CD-OE1 3.49Å; K300-E315 VanDerWaalsContact CE-OE1 3.31Å; K300-E315 WeakPolarHBondContact CE-OE1 3.32Å; K300-E315 WeakPolarHBondContact CE-OE2 3.37Å; K300-E315 HydrophobicContact CG-CG 4.33Å; K300-E315 IonicContact NZ-OE1 2.67Å; K300-E315 PolarHBondContact NZ-OE1 3.1Å; K300-E315 IonicContact NZ-OE2 3.55Å; K300-E315 PolarHBondContact NZ-OE2 2.86Å; E315-P328 WeakPolarHBondContact O-CD 3.48Å; E315-P328 WeakPolarHBondContact O-CG 3.4Å
316W93.8Very high92.2Very high50 Ų5051.9 Ų51.919%0.18928%0.284CS..PPolyproline II helixtrans-90.6150.9174.2-77.332.1000109.7P309 S310 K311 D312 R314 C325 V326 K327P309-W316 HydrophobicContact CB-CB 4.47Å; P309-W316 HydrophobicContact CB-CE3 4.18Å; P309-W316 HydrophobicContact CG-CB 3.97Å; S310-W316 PolarHBondContact OG-NE1 3.26Å; K311-W316 HydrophobicContact CB-CZ2 4.41Å; K311-W316 HydrophobicContact CG-CH2 4.45Å; D312-W316 PolarHBondContact OD1-NE1 2.91Å; R314-W316 PolarHBondContact O-N 3.19Å; W316-C325 HydrophobicContact CE3-CB 4.37Å; W316-V326 WeakPolarHBondContact CA-O 3.33Å; W316-V326 VanDerWaalsContact CB-O 3.29Å; W316-V326 WeakPolarHBondContact CB-O 3.25Å; W316-K327 HydrophobicContact CD2-CG 4.25Å; W316-K327 HydrophobicContact CH2-CG 4.1Å; W316-K327 HydrophobicContact CZ2-CD 4.36Å; W316-K327 HydrophobicContact CZ2-CG 3.53Å
317K94Very high92.1Very high99 Ų9949.5 Ų49.543%0.4327%0.269SS..EExtended strand (participates in β ladder)trans-106.3144.8178.965-174.6-179.2-166.70111.1C325 V326 P328 W330K317-C325 CarbonylContact O-C 3.24Å; K317-C325 WeakPolarHBondContact O-CA 3.22Å; K317-V326 HydrophobicContact CG-CG2 4.11Å; K317-V326 PolarHBondContact N-O 3.12Å; K317-V326 PolarHBondContact O-N 3.41Å; K317-P328 PolarHBondContact NZ-O 3.15Å; K317-W330 WeakPolarHBondContact CE-O 3.48Å; K317-W330 PolarHBondContact NZ-O 3.05Å
318H96.6Very high91.9Very high51 Ų5148.5 Ų48.524%0.23627%0.267CS..EExtended strand (participates in β ladder)trans-80.1129.1173-175.994.3000110.5K304 C305 S320K304-H318 VanDerWaalsContact CD-CD2 3.48Å; K304-H318 WeakPolarHBondContact CD-CD2 3.36Å; C305-H318 PolarHBondContact SG-CE1 3.21Å; C305-H318 PolarHBondContact SG-ND1 3.04Å; H318-S320 PolarHBondContact CD2-N 3.14Å
319C96.8Very high91.7Very high17 Ų1751 Ų5112%0.11528%0.284CS..EExtended strand (participates in β ladder)trans-99.8109.4169.61770000109.6A321 C322 G323 K324 V326 C339C319-A321 VanDerWaalsContact C-N 3.34Å; C319-A321 PolarHBondContact O-N 2.95Å; C319-C322 HydrophobicContact CB-CB 4.21Å; C319-C322 PolarHBondContact O-N 3.33Å; C319-G323 PolarHBondContact O-N 2.86Å; C319-K324 PolarHBondContact N-O 3.36Å; C319-K324 PolarHBondContact O-N 3.47Å; C319-V326 HydrophobicContact CB-CG2 4.4Å; C319-C339 VanDerWaalsContact CB-SG 3.53Å; C319-C339 PolarHBondContact SG-SG 2.93Å
320S95.5Very high91.7Very high86 Ų8654.5 Ų54.560%0.60130%0.296SS*.G310 helixtrans-60.4-41.9-179.6-51.90000112.1H318 C322 G323H318-S320 PolarHBondContact CD2-N 3.14Å; S320-C322 VanDerWaalsContact C-N 3.27Å; S320-C322 PolarHBondContact O-N 3.13Å; S320-G323 PolarHBondContact O-N 3.11Å; S320-G323 VanDerWaalsContact O-N 3.11Å
321A94.4Very high91.8Very high76 Ų7656.8 Ų56.863%0.62831%0.312SS*.G310 helixtrans-64.4-28.7179.900000113.5C319 H332C319-A321 VanDerWaalsContact C-N 3.34Å; C319-A321 PolarHBondContact O-N 2.95Å; A321-H332 VanDerWaalsContact CB-CE1 3.47Å; A321-H332 WeakPolarHBondContact CB-CE1 3.37Å
322C94.8Very high92.2Very high35 Ų3556.6 Ų56.624%0.23631%0.312CS..G310 helixtrans-97-5.7174.8-69.40000113.6C319 S320 K324 H332C319-C322 HydrophobicContact CB-CB 4.21Å; C319-C322 PolarHBondContact O-N 3.33Å; S320-C322 VanDerWaalsContact C-N 3.27Å; S320-C322 PolarHBondContact O-N 3.13Å; C322-K324 HydrophobicContact CB-CD 4.37Å; C322-K324 HydrophobicContact CB-CG 3.87Å; C322-K324 PolarHBondContact O-N 3.2Å; C322-H332 VanDerWaalsContact SG-CE1 3.51Å; C322-H332 PolarHBondContact SG-ND1 2.96Å
323G94.9Very high92.8Very high53 Ų5356.5 Ų56.555%0.54631%0.313SS..THydrogen-bonded Turntrans5824.4-173.100000114.7C319 S320C319-G323 PolarHBondContact O-N 2.86Å; S320-G323 PolarHBondContact O-N 3.11Å; S320-G323 VanDerWaalsContact O-N 3.11Å
324K94.6Very high93.6Very high107 Ų10762.3 Ų62.347%0.46535%0.347SS..EExtended strand (participates in β ladder)trans-146.5154.8-174.273.4-172.2179.2-174.70114C319 C322 V326C319-K324 PolarHBondContact N-O 3.36Å; C319-K324 PolarHBondContact O-N 3.47Å; C322-K324 HydrophobicContact CB-CD 4.37Å; C322-K324 HydrophobicContact CB-CG 3.87Å; C322-K324 PolarHBondContact O-N 3.2Å; K324-V326 HydrophobicContact CG-CG1 4.15Å
325C95.7Very high93.8Very high17 Ų1761.3 Ų61.312%0.11536%0.357CS..EExtended strand (participates in β ladder)trans-78139.5172.7-65.20000111.6C302 C305 P309 W316 K317C302-C325 WeakPolarHBondContact CB-SG 3.29Å; C302-C325 PolarHBondContact SG-SG 3.24Å; C305-C325 VanDerWaalsContact SG-SG 3.61Å; P309-C325 HydrophobicContact CB-CB 3.3Å; P309-C325 HydrophobicContact CG-CB 3.65Å; W316-C325 HydrophobicContact CE3-CB 4.37Å; K317-C325 CarbonylContact O-C 3.24Å; K317-C325 WeakPolarHBondContact O-CA 3.22Å
326V94.1Very high93.8Very high8 Ų858.4 Ų58.45%0.04835%0.347CS..EExtended strand (participates in β ladder)trans-135.9159.6-178.4-61.30000110.7W316 K317 C319 K324 W330 C339W316-V326 WeakPolarHBondContact CA-O 3.33Å; W316-V326 VanDerWaalsContact CB-O 3.29Å; W316-V326 WeakPolarHBondContact CB-O 3.25Å; K317-V326 HydrophobicContact CG-CG2 4.11Å; K317-V326 PolarHBondContact N-O 3.12Å; K317-V326 PolarHBondContact O-N 3.41Å; C319-V326 HydrophobicContact CB-CG2 4.4Å; K324-V326 HydrophobicContact CG-CG1 4.15Å; V326-W330 HydrophobicContact CB-CB 4.31Å; V326-W330 HydrophobicContact CG2-CB 4.29Å; V326-C339 HydrophobicContact CB-CB 4.33Å; V326-C339 HydrophobicContact CG1-CB 3.7Å; V326-C339 HydrophobicContact CG2-CB 4.38Å
327K92.7Very high93.6Very high54 Ų5458.4 Ų58.424%0.23536%0.363CS..  trans-54.9147.5175.7-69.2179.5-178.51790110.6W316 S329 W330W316-K327 HydrophobicContact CD2-CG 4.25Å; W316-K327 HydrophobicContact CH2-CG 4.1Å; W316-K327 HydrophobicContact CZ2-CD 4.36Å; W316-K327 HydrophobicContact CZ2-CG 3.53Å; K327-S329 PolarHBondContact O-N 3.17Å; K327-S329 VanDerWaalsContact O-N 3.16Å; K327-W330 HydrophobicContact CB-CG 4.2Å; K327-W330 WeakPolarHBondContact O-CB 3.43Å; K327-W330 PolarHBondContact O-N 3.43Å
328P91.2Very high93.6Very high53 Ų5359.3 Ų59.334%0.34436%0.364SS..THydrogen-bonded Turntrans-58.9-33-178.522-32.8000112.6R314 E315 K317 W330R314-P328 HydrophobicContact CB-CG 4.45Å; E315-P328 WeakPolarHBondContact O-CD 3.48Å; E315-P328 WeakPolarHBondContact O-CG 3.4Å; K317-P328 PolarHBondContact NZ-O 3.15Å; P328-W330 PolarHBondContact O-N 2.88Å
329S91.4Very high93.5Very high57 Ų5757.1 Ų57.140%0.39935%0.354SS..THydrogen-bonded Turntrans-76.4-0.1178.770.20000114.8K327 P342K327-S329 PolarHBondContact O-N 3.17Å; K327-S329 VanDerWaalsContact O-N 3.16Å; S329-P342 WeakPolarHBondContact O-CD 3.27Å
330W94.1Very high93.3Very high87 Ų8756.5 Ų56.533%0.3335%0.35SS..  trans-99.9148.3178.3-72.332.6000110.2K317 V326 K327 P328 C339 A340K317-W330 WeakPolarHBondContact CE-O 3.48Å; K317-W330 PolarHBondContact NZ-O 3.05Å; V326-W330 HydrophobicContact CB-CB 4.31Å; V326-W330 HydrophobicContact CG2-CB 4.29Å; K327-W330 HydrophobicContact CB-CG 4.2Å; K327-W330 WeakPolarHBondContact O-CB 3.43Å; K327-W330 PolarHBondContact O-N 3.43Å; P328-W330 PolarHBondContact O-N 2.88Å; W330-C339 HydrophobicContact CE3-CB 4.05Å; W330-C339 VanDerWaalsContact CE3-O 3.32Å; W330-C339 VanDerWaalsContact CZ3-O 3.27Å; W330-C339 WeakPolarHBondContact CZ3-O 3.48Å; W330-A340 CarbonylContact C-O 3.46Å; W330-A340 WeakPolarHBondContact CA-O 3.27Å; W330-A340 WeakPolarHBondContact CB-O 3.5Å
331S93.7Very high93.2Very high50 Ų5056.7 Ų56.735%0.3534%0.344SS..EExtended strand (participates in β ladder)trans-130.6155.1173.852.90000110C333 C339 A340S331-C333 PolarHBondContact O-N 3.5Å; S331-C339 CarbonylContact O-C 3.59Å; S331-C339 VanDerWaalsContact O-CA 3.27Å; S331-C339 WeakPolarHBondContact O-CA 3.35Å; S331-A340 PolarHBondContact N-O 3.15Å; S331-A340 PolarHBondContact O-N 3.22Å
332H95.6Very high93Very high60 Ų6057 Ų5728%0.27834%0.339SS..EExtended strand (participates in β ladder)trans-77117.7176.2-172.496.1000109.4A321 C322A321-H332 VanDerWaalsContact CB-CE1 3.47Å; A321-H332 WeakPolarHBondContact CB-CE1 3.37Å; C322-H332 VanDerWaalsContact SG-CE1 3.51Å; C322-H332 PolarHBondContact SG-ND1 2.96Å
333C94.4Very high92.6Very high16 Ų1663 Ų6311%0.10837%0.369CS..EExtended strand (participates in β ladder)trans-85.1110.6168.5171.30000108S331 S335 C336 G337 R338 H344 C346S331-C333 PolarHBondContact O-N 3.5Å; C333-S335 VanDerWaalsContact C-N 3.26Å; C333-S335 PolarHBondContact O-N 3.41Å; C333-C336 HydrophobicContact CB-CB 4.1Å; C333-C336 CarbonylContact O-C 3.58Å; C333-C336 PolarHBondContact O-N 3.17Å; C333-C336 VanDerWaalsContact O-N 3.11Å; C333-C336 PolarHBondContact SG-N 3.11Å; C333-C336 VanDerWaalsContact SG-N 3.44Å; C333-G337 PolarHBondContact O-N 3.31Å; C333-R338 PolarHBondContact N-O 3.46Å; C333-R338 PolarHBondContact O-N 3.15Å; C333-H344 WeakPolarHBondContact CB-CE1 3.36Å; C333-C346 WeakPolarHBondContact CB-SG 3.43Å; C333-C346 WeakPolarHBondContact SG-CB 3.32Å; C333-C346 CovalentContact SG-SG 2.13Å; C333-C346 PolarHBondContact SG-SG 2.96Å
334T91.9Very high92.2Very high125 Ų12561.9 Ų61.977%0.76735%0.35SS*.G310 helixtrans-55.8-42.8177.1-49.60000111C336 G337T334-C336 VanDerWaalsContact C-N 3.27Å; T334-C336 PolarHBondContact O-N 3.4Å; T334-G337 PolarHBondContact O-N 3.42Å
335S88.6Confident91.8Very high89 Ų8962.3 Ų62.362%0.62236%0.363SS*.G310 helixtrans-63-30.5179.2-42.20000113.5C333C333-S335 VanDerWaalsContact C-N 3.26Å; C333-S335 PolarHBondContact O-N 3.41Å
336C90.2Very high91.2Very high36 Ų3663.7 Ų63.724%0.24337%0.373CS..G310 helixtrans-99.2-7.5179.1-78.30000114C333 T334 R338 C346 R347C333-C336 HydrophobicContact CB-CB 4.1Å; C333-C336 CarbonylContact O-C 3.58Å; C333-C336 PolarHBondContact O-N 3.17Å; C333-C336 VanDerWaalsContact O-N 3.11Å; C333-C336 PolarHBondContact SG-N 3.11Å; C333-C336 VanDerWaalsContact SG-N 3.44Å; T334-C336 VanDerWaalsContact C-N 3.27Å; T334-C336 PolarHBondContact O-N 3.4Å; C336-R338 HydrophobicContact CB-CG 3.95Å; C336-R338 PolarHBondContact O-N 2.96Å; C336-R338 VanDerWaalsContact O-N 3.15Å; C336-C346 WeakPolarHBondContact SG-CA 3.46Å; C336-C346 WeakPolarHBondContact SG-CB 3.36Å; C336-R347 PolarHBondContact SG-N 3.44Å; C336-R347 VanDerWaalsContact SG-N 3.41Å
337G91.4Very high89.9Confident51 Ų5173.3 Ų73.353%0.52641%0.408SS..THydrogen-bonded Turntrans57.424.4-173.600000114.3C333 T334C333-G337 PolarHBondContact O-N 3.31Å; T334-G337 PolarHBondContact O-N 3.42Å
338R92.6Very high88Confident117 Ų11778.7 Ų78.744%0.44243%0.434SS..EExtended strand (participates in β ladder)trans-144.2151.4-176.576.3-173.2178.897.1-1.8113C333 C336C333-R338 PolarHBondContact N-O 3.46Å; C333-R338 PolarHBondContact O-N 3.15Å; C336-R338 HydrophobicContact CB-CG 3.95Å; C336-R338 PolarHBondContact O-N 2.96Å; C336-R338 VanDerWaalsContact O-N 3.15Å
339C94.8Very high85.7Confident6 Ų680.5 Ų80.54%0.04145%0.454CS..EExtended strand (participates in β ladder)trans-72.1134.5167.1-67.70000111.3C319 V326 W330 S331C319-C339 VanDerWaalsContact CB-SG 3.53Å; C319-C339 PolarHBondContact SG-SG 2.93Å; V326-C339 HydrophobicContact CB-CB 4.33Å; V326-C339 HydrophobicContact CG1-CB 3.7Å; V326-C339 HydrophobicContact CG2-CB 4.38Å; W330-C339 HydrophobicContact CE3-CB 4.05Å; W330-C339 VanDerWaalsContact CE3-O 3.32Å; W330-C339 VanDerWaalsContact CZ3-O 3.27Å; W330-C339 WeakPolarHBondContact CZ3-O 3.48Å; S331-C339 CarbonylContact O-C 3.59Å; S331-C339 VanDerWaalsContact O-CA 3.27Å; S331-C339 WeakPolarHBondContact O-CA 3.35Å
340A93.1Very high83.4Confident3 Ų384.6 Ų84.63%0.02547%0.471CS..EExtended strand (participates in β ladder)trans-152.1178176.300000110.4W330 S331 H344W330-A340 CarbonylContact C-O 3.46Å; W330-A340 WeakPolarHBondContact CA-O 3.27Å; W330-A340 WeakPolarHBondContact CB-O 3.5Å; S331-A340 PolarHBondContact N-O 3.15Å; S331-A340 PolarHBondContact O-N 3.22Å; A340-H344 HydrophobicContact CB-CB 3.95Å; A340-H344 VanDerWaalsContact CB-CD2 3.43Å; A340-H344 WeakPolarHBondContact CB-CD2 3.4Å
341L93.5Very high81.1Confident90 Ų9083.3 Ų83.347%0.47149%0.485SS..  trans-67.1148.3168.8-70.8169.3000109.9D343 H344L341-D343 VanDerWaalsContact C-N 3.29Å; L341-D343 PolarHBondContact O-N 3.44Å; L341-H344 WeakPolarHBondContact O-CB 3.47Å; L341-H344 VanDerWaalsContact O-CG 3.32Å; L341-H344 PolarHBondContact O-N 3.11Å; L341-H344 PolarHBondContact O-ND1 3.27Å
342P89.3Confident79Confident82 Ų8284.4 Ų84.453%0.53250%0.504SS..THydrogen-bonded Turntrans-49.1-47.5-179.5-30.335.9000113.6S329 H344S329-P342 WeakPolarHBondContact O-CD 3.27Å; P342-H344 VanDerWaalsContact C-N 3.25Å; P342-H344 PolarHBondContact O-N 2.13Å
343D86.6Confident76.9Confident161 Ų16186.6 Ų86.686%0.86152%0.518SS*.THydrogen-bonded Turntrans-86.621.6-176.7-48.4-45.2000114.2L341L341-D343 VanDerWaalsContact C-N 3.29Å; L341-D343 PolarHBondContact O-N 3.44Å
344H87.1Confident75.1Confident31 Ų3186.7 Ų86.714%0.14452%0.522CS..SBendtrans-71.3149.6175.676.9-61.8000111.1C333 A340 L341 P342 C346C333-H344 WeakPolarHBondContact CB-CE1 3.36Å; A340-H344 HydrophobicContact CB-CB 3.95Å; A340-H344 VanDerWaalsContact CB-CD2 3.43Å; A340-H344 WeakPolarHBondContact CB-CD2 3.4Å; L341-H344 WeakPolarHBondContact O-CB 3.47Å; L341-H344 VanDerWaalsContact O-CG 3.32Å; L341-H344 PolarHBondContact O-N 3.11Å; L341-H344 PolarHBondContact O-ND1 3.27Å; P342-H344 VanDerWaalsContact C-N 3.25Å; P342-H344 PolarHBondContact O-N 2.13Å; H344-C346 PolarHBondContact CE1-SG 3.36Å; H344-C346 PolarHBondContact NE2-SG 3.41Å; H344-C346 PolarHBondContact O-N 2.9Å
345P86.3Confident73.8Confident115 Ų11580.8 Ų80.875%0.74749%0.485SS*.  trans-68.2103170.427.4-32.4000108.8R347P345-R347 PolarHBondContact O-N 2.97Å
346C83.6Confident72.5Confident47 Ų4785 Ų8532%0.31849%0.493SS..  trans-66.5128.8164.8-63.40000105.6C333 C336 H344 Q348C333-C346 WeakPolarHBondContact CB-SG 3.43Å; C333-C346 WeakPolarHBondContact SG-CB 3.32Å; C333-C346 CovalentContact SG-SG 2.13Å; C333-C346 PolarHBondContact SG-SG 2.96Å; C336-C346 WeakPolarHBondContact SG-CA 3.46Å; C336-C346 WeakPolarHBondContact SG-CB 3.36Å; H344-C346 PolarHBondContact CE1-SG 3.36Å; H344-C346 PolarHBondContact NE2-SG 3.41Å; H344-C346 PolarHBondContact O-N 2.9Å; C346-Q348 PolarHBondContact O-N 3.42Å
347R64.9Low71.3Confident210 Ų21086.4 Ų86.479%0.79250%0.503SS*.  trans-61.1112.3166.8-72.2-177.2178.2178.5-0.8104.5C336 P345 A349C336-R347 PolarHBondContact SG-N 3.44Å; C336-R347 VanDerWaalsContact SG-N 3.41Å; P345-R347 PolarHBondContact O-N 2.97Å; R347-A349 PolarHBondContact O-N 3.09Å
348Q53.7Low70.3Confident166 Ų16686.1 Ų86.178%0.77649%0.492SS*.  trans-51.4140.9174.5-77.3163.8-25.700107.7C346 D350C346-Q348 PolarHBondContact O-N 3.42Å; Q348-D350 PolarHBondContact O-N 3.34Å
349A43.3Very low69Low92 Ų9283.4 Ų83.476%0.7650%0.501SS*.SBendtrans-66.78-178.800000113.1R347R347-A349 PolarHBondContact O-N 3.09Å
350D42.4Very low67.6Low142 Ų14284.9 Ų84.976%0.75951%0.511SS*.SBendtrans-108.4112.3166.8-59.7-37.6000108.4Q348 G352Q348-D350 PolarHBondContact O-N 3.34Å; D350-G352 PolarHBondContact O-N 2.93Å
351G46.9Very low66.4Low61 Ų6190.7 Ų90.763%0.62954%0.541SS*.  trans-50.1117.6-164.800000115N353G351-N353 PolarHBondContact O-N 3.29Å
352G49.2Very low65.2Low72 Ų7295.1 Ų95.174%0.74256%0.559SS**  trans-67.755.6150.100000110.9D350 G354D350-G352 PolarHBondContact O-N 2.93Å; G352-G354 PolarHBondContact O-N 3.49Å
353N50.7Low64.3Low107 Ų10793.1 Ų93.157%0.57254%0.543SS*.  trans-72.886.8163.3-80.7-14.2000104.8G351 L361G351-N353 PolarHBondContact O-N 3.29Å; N353-L361 CarbonylContact C-O 3.49Å; N353-L361 CarbonylContact O-C 3.49Å; N353-L361 WeakPolarHBondContact O-CA 3.23Å; N353-L361 WeakPolarHBondContact O-CB 3.49Å; N353-L361 WeakPolarHBondContact O-CD2 3.42Å
354G56.6Low63.5Low18 Ų1894.6 Ų94.619%0.18654%0.536CS..  trans-163131.8-179.800000113.4G352 F356 S360G352-G354 PolarHBondContact O-N 3.49Å; G354-F356 PolarHBondContact O-N 3.24Å; G354-S360 CarbonylContact C-O 3.56Å; G354-S360 VanDerWaalsContact CA-O 3.23Å; G354-S360 WeakPolarHBondContact CA-O 3.46Å
355C64.9Low62.5Low1 Ų197.4 Ų97.41%0.00755%0.55CS..  trans-71.1106.3171.3178.90000109.6S357 C358 G359 S360 H363 C368C355-S357 PolarHBondContact O-N 2.9Å; C355-S357 PolarHBondContact SG-N 2.94Å; C355-C358 VanDerWaalsContact CB-SG 3.6Å; C355-C358 PolarHBondContact O-N 2.74Å; C355-C358 VanDerWaalsContact O-N 3.08Å; C355-G359 WeakPolarHBondContact O-CA 3.31Å; C355-G359 PolarHBondContact O-N 3.2Å; C355-S360 PolarHBondContact N-O 3.42Å; C355-H363 VanDerWaalsContact CB-NE2 3.32Å; C355-H363 WeakPolarHBondContact CB-NE2 3.44Å; C355-H363 WeakPolarHBondContact CB-O 3.32Å; C355-H363 PolarHBondContact N-O 3.19Å; C355-H363 VanDerWaalsContact N-O 3.16Å; C355-C368 WeakPolarHBondContact SG-CB 3.37Å; C355-C368 PolarHBondContact SG-SG 3.04Å
356F62Low61.5Low178 Ų178101.4 Ų101.478%0.78156%0.555SS**THydrogen-bonded Turntrans-57.7-13.9175-70.3-83.1000114.9G354G354-F356 PolarHBondContact O-N 3.24Å
357S64.1Low60.7Low64 Ų64102.6 Ų102.645%0.44857%0.568SS.*THydrogen-bonded Turntrans-88.8-23.6177.7-68.80000113.9C355 Q365C355-S357 PolarHBondContact O-N 2.9Å; C355-S357 PolarHBondContact SG-N 2.94Å; S357-Q365 WeakPolarHBondContact OG-CG 3.1Å; S357-Q365 PolarHBondContact OG-NE2 3.08Å; S357-Q365 VanDerWaalsContact OG-NE2 3.09Å
358C70.8Confident61Low46 Ų4692.7 Ų92.731%0.31153%0.532SS..THydrogen-bonded Turntrans-137.31.3-178.968.80000115.1C355 S360 H363 C368 L370C355-C358 VanDerWaalsContact CB-SG 3.6Å; C355-C358 PolarHBondContact O-N 2.74Å; C355-C358 VanDerWaalsContact O-N 3.08Å; C358-S360 PolarHBondContact O-N 3.47Å; C358-S360 VanDerWaalsContact SG-CB 3.56Å; C358-H363 VanDerWaalsContact SG-CE1 3.58Å; C358-H363 PolarHBondContact SG-NE2 3.16Å; C358-C368 VanDerWaalsContact SG-SG 3.62Å; C358-L370 HydrophobicContact CB-CD1 3.28Å
359G64.9Low61.8Low60 Ų6088.8 Ų88.862%0.61952%0.52SS*.  trans74.4-8-178.300000115.3C355C355-G359 WeakPolarHBondContact O-CA 3.31Å; C355-G359 PolarHBondContact O-N 3.2Å
360S65.4Low63Low36 Ų3689.3 Ų89.325%0.25251%0.51SS..  trans-65.8133.2-177.6170.50000112.1G354 C355 C358 E362 H363G354-S360 CarbonylContact C-O 3.56Å; G354-S360 VanDerWaalsContact CA-O 3.23Å; G354-S360 WeakPolarHBondContact CA-O 3.46Å; C355-S360 PolarHBondContact N-O 3.42Å; C358-S360 PolarHBondContact O-N 3.47Å; C358-S360 VanDerWaalsContact SG-CB 3.56Å; S360-E362 VanDerWaalsContact C-N 3.33Å; S360-E362 PolarHBondContact OG-N 2.74Å; S360-H363 VanDerWaalsContact CB-CE1 3.43Å; S360-H363 WeakPolarHBondContact CB-CE1 2.91Å; S360-H363 PolarHBondContact OG-CE1 3.18Å; S360-H363 PolarHBondContact OG-ND1 3.35Å
361L69Low63.9Low126 Ų12687.5 Ų87.566%0.6649%0.492SS*.THydrogen-bonded Turntrans-82.3-9.5-179.5-55.9178.1000114.5N353N353-L361 CarbonylContact C-O 3.49Å; N353-L361 CarbonylContact O-C 3.49Å; N353-L361 WeakPolarHBondContact O-CA 3.23Å; N353-L361 WeakPolarHBondContact O-CB 3.49Å; N353-L361 WeakPolarHBondContact O-CD2 3.42Å
362E66.7Low64.3Low183 Ų18389.5 Ų89.586%0.85549%0.489SS*.THydrogen-bonded Turntrans-86-12.8-169.7-60.4-173.5167.700114S360S360-E362 VanDerWaalsContact C-N 3.33Å; S360-E362 PolarHBondContact OG-N 2.74Å
363H71.9Confident64.5Low40 Ų4092.3 Ų92.319%0.18548%0.484CS..SBendtrans-149.4160.6-177.163.6-88.3000113.1C355 C358 S360 C368C355-H363 VanDerWaalsContact CB-NE2 3.32Å; C355-H363 WeakPolarHBondContact CB-NE2 3.44Å; C355-H363 WeakPolarHBondContact CB-O 3.32Å; C355-H363 PolarHBondContact N-O 3.19Å; C355-H363 VanDerWaalsContact N-O 3.16Å; C358-H363 VanDerWaalsContact SG-CE1 3.58Å; C358-H363 PolarHBondContact SG-NE2 3.16Å; S360-H363 VanDerWaalsContact CB-CE1 3.43Å; S360-H363 WeakPolarHBondContact CB-CE1 2.91Å; S360-H363 PolarHBondContact OG-CE1 3.18Å; S360-H363 PolarHBondContact OG-ND1 3.35Å; H363-C368 VanDerWaalsContact CD2-CA 3.41Å; H363-C368 WeakPolarHBondContact CD2-CA 2.99Å; H363-C368 WeakPolarHBondContact NE2-CA 3.38Å; H363-C368 WeakPolarHBondContact NE2-CB 3.46Å; H363-C368 PolarHBondContact NE2-SG 2.99Å
364R68.2Low64.6Low192 Ų19294.4 Ų94.473%0.72549%0.491SS*.  trans-85.8156.6174-66.9-173.8176.4178.91.8111.2K366 A367R364-K366 PolarHBondContact O-N 2.96Å; R364-A367 PolarHBondContact O-N 3.46Å
365Q67.7Low64.3Low90 Ų90101.7 Ų101.742%0.42151%0.512SS..G310 helixtrans-51.1-25.5-179.7-165.5-176.629.500115.7S357 R371S357-Q365 WeakPolarHBondContact OG-CG 3.1Å; S357-Q365 PolarHBondContact OG-NE2 3.08Å; S357-Q365 VanDerWaalsContact OG-NE2 3.09Å; Q365-R371 PolarHBondContact O-NH1 3.21Å
366K65Low63.3Low198 Ų198109.9 Ų109.986%0.86155%0.548SS*.G310 helixtrans-77.4-21.8177.1-69.9-172.7179-176.80113.9R364R364-K366 PolarHBondContact O-N 2.96Å
367A65.6Low62.4Low72 Ų72108.4 Ų108.460%0.59555%0.548SS*.G310 helixtrans-109.824.7179.900000111.6R364 P369R364-A367 PolarHBondContact O-N 3.46Å; A367-P369 WeakPolarHBondContact O-CD 3.41Å
368C72Confident61.3Low3 Ų3109.2 Ų109.22%0.0255%0.554CS.*  trans-84119.4-174.8-177.50000112.2C355 C358 H363 L370 R371C355-C368 WeakPolarHBondContact SG-CB 3.37Å; C355-C368 PolarHBondContact SG-SG 3.04Å; C358-C368 VanDerWaalsContact SG-SG 3.62Å; H363-C368 VanDerWaalsContact CD2-CA 3.41Å; H363-C368 WeakPolarHBondContact CD2-CA 2.99Å; H363-C368 WeakPolarHBondContact NE2-CA 3.38Å; H363-C368 WeakPolarHBondContact NE2-CB 3.46Å; H363-C368 PolarHBondContact NE2-SG 2.99Å; C368-L370 VanDerWaalsContact C-N 3.25Å; C368-L370 PolarHBondContact O-N 3.37Å; C368-R371 HydrophobicContact CB-CB 4.21Å; C368-R371 VanDerWaalsContact O-CB 3.31Å; C368-R371 WeakPolarHBondContact O-CB 3.43Å; C368-R371 PolarHBondContact O-N 3.34Å
369P70.4Confident59.8Low83 Ų83116.4 Ų116.454%0.53958%0.58SS.*Hα-helixtrans-65.5-26.7-17723-30.8000113.2A367 R371 D372 M373A367-P369 WeakPolarHBondContact O-CD 3.41Å; P369-R371 PolarHBondContact O-N 3.32Å; P369-D372 PolarHBondContact O-N 3.36Å; P369-M373 PolarHBondContact O-N 3.28Å
370L68.3Low58.3Low104 Ų104116.2 Ų116.255%0.54558%0.579SS.*Hα-helixtrans-69.9-21.8174.6-74162.6000112.9C358 C368 Q374C358-L370 HydrophobicContact CB-CD1 3.28Å; C368-L370 VanDerWaalsContact C-N 3.25Å; C368-L370 PolarHBondContact O-N 3.37Å; L370-Q374 PolarHBondContact O-N 3.33Å
371R61.3Low56.8Low103 Ų103120.9 Ų120.939%0.38961%0.608SS.*Hα-helixtrans-80.4-28.8177.1-136.4178.8131.6-151.3-3.6112.4Q365 C368 P369Q365-R371 PolarHBondContact O-NH1 3.21Å; C368-R371 HydrophobicContact CB-CB 4.21Å; C368-R371 VanDerWaalsContact O-CB 3.31Å; C368-R371 WeakPolarHBondContact O-CB 3.43Å; C368-R371 PolarHBondContact O-N 3.34Å; P369-R371 PolarHBondContact O-N 3.32Å
372D55.1Low55.2Low104 Ų104125.3 Ų125.356%0.55662%0.622SS**Hα-helixtrans-76.9-33.7172.5-85.6-24.3000112.2P369 R375 K376P369-D372 PolarHBondContact O-N 3.36Å; D372-R375 PolarHBondContact O-N 3.28Å; D372-K376 PolarHBondContact O-N 3.39Å
373M54.8Low53.4Low130 Ų130121.2 Ų121.264%0.6462%0.619SS**Hα-helixtrans-62.1-40.9171.7-81.4-90.4179.600112.6P369 R375 K376 N377P369-M373 PolarHBondContact O-N 3.28Å; M373-R375 VanDerWaalsContact C-N 3.28Å; M373-R375 PolarHBondContact O-N 3.36Å; M373-K376 PolarHBondContact O-N 2.81Å; M373-N377 PolarHBondContact O-N 3.36Å
374Q52.8Low51.8Low152 Ų152129.4 Ų129.471%0.7165%0.654SS**Hα-helixtrans-68-24.1177-78.9-177.8-2300113.8L370 S378L370-Q374 PolarHBondContact O-N 3.33Å; Q374-S378 PolarHBondContact O-OG 3.42Å
375R49.4Very low50Low170 Ų170126 Ų12664%0.64266%0.66SS**Hα-helixtrans-79.9-29.8175.1-83.6179.4163.5-175.9-7.4113.3D372 M373 S378D372-R375 PolarHBondContact O-N 3.28Å; M373-R375 VanDerWaalsContact C-N 3.28Å; M373-R375 PolarHBondContact O-N 3.36Å; R375-S378 PolarHBondContact O-OG 3.36Å
376K44.3Very low48.1Very low174 Ų174129.7 Ų129.776%0.75768%0.682SS**Hα-helixtrans-75.2-30.1178-78-177.1176179.80113.2D372 M373 S378D372-K376 PolarHBondContact O-N 3.39Å; M373-K376 PolarHBondContact O-N 2.81Å; K376-S378 PolarHBondContact O-N 2.84Å
377N42.7Very low46.4Very low146 Ų146123.6 Ų123.678%0.78168%0.675SS**THydrogen-bonded Turntrans-84.5-1.4178.7-77-1.9000115M373M373-N377 PolarHBondContact O-N 3.36Å
378S40.8Very low44.7Very low81 Ų81130.5 Ų130.557%0.56669%0.691SS**THydrogen-bonded Turntrans-935-179.541.90000115.4Q374 R375 K376Q374-S378 PolarHBondContact O-OG 3.42Å; R375-S378 PolarHBondContact O-OG 3.36Å; K376-S378 PolarHBondContact O-N 2.84Å
379F38.6Very low42.8Very low197 Ų197140.4 Ų140.486%0.86473%0.734SS**  trans-109.582.2170-75.1-84.3000110.4
380G34.8Very low40.8Very low57 Ų57140.9 Ų140.959%0.58875%0.745SS**SBendtrans-157.3152.4170.500000110.1
381P33.2Very low38.9Very low134 Ų134141 Ų14187%0.8775%0.754SS**  trans-68.8140-157.2-11.525.6000112.9A383P381-A383 PolarHBondContact O-N 3.17Å; P381-A383 VanDerWaalsContact O-N 3.11Å
382K34.9Very low37.4Very low218 Ų218144.3 Ų144.395%0.94877%0.774SS**  trans-57.5111175.9-73.2179.3175.8175.80111.3
383A29.9Very low36.1Very low97 Ų97149.9 Ų149.980%0.80279%0.789SS**  trans-92.2127159.100000109.7P381P381-A383 PolarHBondContact O-N 3.17Å; P381-A383 VanDerWaalsContact O-N 3.11Å
384K38.7Very low35Very low213 Ų213151.6 Ų151.693%0.92680%0.8SS**  trans-62.8136.2171.3-74.6174.4174.8173.80109.7
385S29.3Very low33.8Very low120 Ų120148.9 Ų148.984%0.83980%0.803SS**  trans-153.8136.4157.7179.70000111.3
386L29.1Very low32.8Very low168 Ų168150.7 Ų150.788%0.8882%0.816SS**  trans-77145.7-171.9-75.2129.1000112.8
387G29Very low32.2Very low69 Ų69148.7 Ų148.771%0.71182%0.821SS**  trans58.2117139.400000120.1
388K28.7Very low31.5Very low218 Ų218145.6 Ų145.695%0.94882%0.823SS**  179.5138.3107.6-97170.9-177.5178.30111.3
389K32.8Very low31Very low211 Ų211146.8 Ų146.892%0.91784%0.838SS**  trans-67.8144.4170.4-67.6171.8172.8175.30110.3
390A28.2Very low30.6Very low93 Ų93147.6 Ų147.677%0.76984%0.841SS**  trans-167.4115.1135.100000110.5
391S29.4Very low30.2Very low106 Ų106154.9 Ų154.974%0.74186%0.856SS**  trans-89119.616756.20000109.3
392H29Very low30.1Very low172 Ų172158.4 Ų158.480%0.79686%0.858SS**  trans-90.3100.9166.9-95.3-83.1000109.8
393Y28.4Very low29.9Very low221 Ų221154 Ų15487%0.86786%0.855SS**  trans-99.3114152.9-91.2-85.4000107.3A395Y393-A395 PolarHBondContact O-N 3.26Å
394L30Very low29.6Very low167 Ų167153.1 Ų153.187%0.87486%0.855SS**  trans-77.8112.5169.6-90.4145.9000109
395A28.9Very low29.1Very low95 Ų95147.9 Ų147.979%0.78585%0.852SS**PPolyproline II helixtrans-86.7138.2169.700000110.5Y393Y393-A395 PolarHBondContact O-N 3.26Å
396K29.1Very low29.1Very low207 Ų207146.3 Ų146.390%0.985%0.846SS**PPolyproline II helixtrans-86.9141.6163.4-77.8-175.4174.1-178.10109.7
397P31.3Very low29.1Very low133 Ų133146 Ų14686%0.86485%0.845SS**PPolyproline II helixtrans-95148-178.835.3-30.5000113.1
398G28.3Very low29Very low80 Ų80146.3 Ų146.383%0.82585%0.848SS**  trans124.991.2147.400000117.1
399A28.8Very low28.9Very low107 Ų107140.2 Ų140.288%0.88484%0.839SS**  trans-169.9131.713500000110.5
400K30.4Very low28.7Very low213 Ų213139.6 Ų139.693%0.92684%0.836SS**  trans-62.9137.4-170-75166.7169171.70113.6
401K27.9Very low28.8Very low210 Ų210145.2 Ų145.291%0.91384%0.843SS**  trans-68.8134162-80.5177.8172.9177.10110.2
402K29.9Very low28.9Very low208 Ų208151.8 Ų151.890%0.90485%0.852SS**  trans-119.7124.4148-87.1-171.8174.6-177.20108.6
403S30.1Very low28.9Very low126 Ų126148.5 Ų148.588%0.88185%0.854SS**  trans-71.1153.5168.733.50000111
404G25.5Very low28.9Very low78 Ų78143 Ų14380%0.80485%0.854SS**  trans174.793.4170.300000111.6
405A28.1Very low29Very low104 Ų104144.5 Ų144.586%0.8686%0.857SS**  trans-68.9147.3162.300000110
406A27.6Very low29.1Very low87 Ų87144.5 Ų144.572%0.71986%0.856SS**  trans154.3147.4133.200000112.9
407N29.1Very low29.3Very low160 Ų160146.5 Ų146.586%0.85688%0.876SS**  trans86.4100.6156.3-63.1-12.1000118.9
408G26.9Very low29.2Very low76 Ų76147.2 Ų147.278%0.78488%0.876SS**  trans-75.1155.7146.400000112
409A27.9Very low29.2Very low90 Ų90150.7 Ų150.774%0.74488%0.879SS**  trans177.313414100000109.8
410K29.1Very low29.3Very low199 Ų199153.2 Ų153.287%0.86588%0.879SS**  trans60.6112.8146-65.7173.5176.2178.10118.9
411K29.7Very low29.2Very low210 Ų210149.6 Ų149.691%0.91388%0.876SS**  -170107.299-105.2176.3176-179.80111.6
412R30.2Very low29.3Very low245 Ų245145.9 Ų145.993%0.92587%0.874SS**  trans-84.8159.5146.3-89.6-176.4169.5-166.2-2.4107.9
413A29.5Very low29.2Very low102 Ų102141.7 Ų141.784%0.84387%0.871SS**  trans91.1105.5167.500000117
414A27.9Very low29.2Very low105 Ų105142.9 Ų142.987%0.86887%0.871SS**  -158.598.2125.100000108.9
415H33.7Very low29.5Very low200 Ų200147.8 Ų147.893%0.92688%0.876SS**  trans-104.4157.2147.6-112.2-74000106.2
416A30.5Very low29.6Very low94 Ų94151.5 Ų151.578%0.77788%0.877SS**  trans94.887.5174.300000115.8
417L32.8Very low29.7Very low250 Ų250157.4 Ų157.4100%1.30989%0.892SS**  -157.1097.9-100.6158.2000109.5

Retrieved 417 of 417 residues in 797.4 ms (Link to these results)

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