A0A3Q0KUC9_SCHMA Loading...

Bardet-Biedl syndrome 2 protein homolog

AlphaFold DB , UniProt , Accession A0A3Q0KUC9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 732 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
1M53.8Low75.2Confident57 Ų5759.2 Ų59.228%0.28131%0.313SS..  0135.80-67-174.9-172.800108.4I258 N259 V286 F287M1-I258 HydrophobicContact SD-CG2 4.32Å; M1-N259 HydrophobicContact CE-CB 3.79Å; M1-V286 PolarHBondContact N-O 3.13Å; M1-F287 WeakPolarHBondContact O-CD2 3.4Å
2N53.9Low76.4Confident118 Ų11862.4 Ų62.463%0.63134%0.344SS*.  trans-84.9108.2167.9-69.3-13.1000106.3E334N2-E334 PolarHBondContact ND2-OE2 2.89Å
3A62.3Low77.4Confident25 Ų2561.7 Ų61.721%0.20734%0.336CS..  trans-83.6127172.400000108.6N5 F287 Y322 S323A3-N5 PolarHBondContact O-N 2.66Å; A3-F287 HydrophobicContact CB-CD2 4.47Å; A3-F287 HydrophobicContact CB-CE2 3.41Å; A3-F287 VanDerWaalsContact CB-CE2 3.41Å; A3-F287 HydrophobicContact CB-CZ 3.89Å; A3-Y322 HydrophobicContact CB-CD1 4.3Å; A3-Y322 HydrophobicContact CB-CG 4.44Å; A3-S323 WeakPolarHBondContact CB-O 3.44Å
4E68.2Low78.5Confident118 Ų11864.6 Ų64.655%0.55134%0.344SS*.  trans-68131.2176.4-71.6-179.6178.100109.7V6 Y322 S323E4-V6 PolarHBondContact O-N 3.15Å; E4-Y322 WeakPolarHBondContact O-CA 3.46Å; E4-S323 PolarHBondContact O-N 3.42Å
5N75.2Confident79.6Confident73 Ų7360.5 Ų60.539%0.3932%0.321SS..EExtended strand (participates in β ladder)trans-75.1111.6174-169.3-10.1000108.7A3 F7 C321 Y322A3-N5 PolarHBondContact O-N 2.66Å; N5-F7 VanDerWaalsContact OD1-C 3.31Å; N5-F7 PolarHBondContact OD1-N 2.93Å; N5-F7 PolarHBondContact OD1-O 2.84Å; N5-C321 CarbonylContact C-O 3.35Å; N5-C321 PolarHBondContact OD1-O 3.47Å; N5-C321 VanDerWaalsContact OD1-O 3.11Å; N5-Y322 HydrophobicContact CB-CD1 4.16Å; N5-Y322 HydrophobicContact CB-CE1 3.99Å
6V79.1Confident80.5Confident31 Ų3159.6 Ų59.619%0.18832%0.317CS..EExtended strand (participates in β ladder)trans-76.1-43.4-177178.30000111E4 F306 C321E4-V6 PolarHBondContact O-N 3.15Å; V6-F306 HydrophobicContact CG1-CD1 3.53Å; V6-F306 HydrophobicContact CG1-CD2 3.89Å; V6-F306 HydrophobicContact CG1-CE1 3.3Å; V6-F306 HydrophobicContact CG1-CE2 3.67Å; V6-F306 HydrophobicContact CG1-CG 3.83Å; V6-F306 HydrophobicContact CG1-CZ 3.39Å; V6-C321 HydrophobicContact CB-CB 4.48Å; V6-C321 PolarHBondContact N-O 3.14Å
7F82.3Confident81.2Confident11 Ų1159.1 Ų59.15%0.04832%0.318CS..EExtended strand (participates in β ladder)trans-156.3151.1173.281.6-94000111.1N5 D9 F48 I58 Y303 L311 I319 C321N5-F7 VanDerWaalsContact OD1-C 3.31Å; N5-F7 PolarHBondContact OD1-N 2.93Å; N5-F7 PolarHBondContact OD1-O 2.84Å; F7-D9 HydrophobicContact CD2-CB 4.47Å; F7-D9 HydrophobicContact CE2-CB 4.33Å; F7-F48 HydrophobicContact CD1-CE1 4.21Å; F7-F48 HydrophobicContact CD1-CZ 4.35Å; F7-F48 HydrophobicContact CD2-CE1 4.18Å; F7-F48 HydrophobicContact CD2-CZ 4.5Å; F7-F48 HydrophobicContact CE1-CE1 4.33Å; F7-F48 HydrophobicContact CE1-CZ 4.02Å; F7-F48 HydrophobicContact CE2-CE1 4.32Å; F7-F48 HydrophobicContact CE2-CZ 4.2Å; F7-F48 HydrophobicContact CG-CE1 4.14Å; F7-F48 HydrophobicContact CZ-CE1 4.4Å; F7-F48 AromaticContact CZ-CZ 3.95Å; F7-F48 HydrophobicContact CZ-CZ 3.95Å; F7-I58 HydrophobicContact CD2-CD1 3.94Å; F7-I58 HydrophobicContact CE2-CD1 4.27Å; F7-Y303 AromaticContact CE1-CD1 3.79Å; F7-Y303 HydrophobicContact CE1-CD1 3.79Å; F7-Y303 AromaticContact CE1-CE1 3.76Å; F7-Y303 HydrophobicContact CE1-CE1 3.76Å; F7-Y303 HydrophobicContact CZ-CD1 4.12Å; F7-Y303 AromaticContact CZ-CE1 3.63Å; F7-Y303 HydrophobicContact CZ-CE1 3.63Å; F7-L311 HydrophobicContact CZ-CD2 4.14Å; F7-I319 HydrophobicContact CE2-CG2 4.13Å; F7-I319 HydrophobicContact CZ-CG2 4.27Å; F7-C321 HydrophobicContact CD1-CB 3.31Å; F7-C321 HydrophobicContact CE1-CB 3.17Å; F7-C321 HydrophobicContact CE2-CB 4.48Å; F7-C321 HydrophobicContact CG-CB 4.06Å; F7-C321 HydrophobicContact CZ-CB 3.81Å; F7-C321 PolarHBondContact O-N 3.36Å
8C84.8Confident81.7Confident73 Ų7360.8 Ų60.849%0.49332%0.323SS..EExtended strand (participates in β ladder)trans-123.3132.4170.9-169.50000108.3I319C8-I319 CarbonylContact C-O 3.58Å; C8-I319 WeakPolarHBondContact CA-O 3.4Å
9D87.8Confident82.4Confident23 Ų2358.2 Ų58.212%0.12331%0.309CS..EExtended strand (participates in β ladder)trans-128.4161.3169.3-157.49.6000110.9F7 Y44 I58 Q61 D318 I319F7-D9 HydrophobicContact CD2-CB 4.47Å; F7-D9 HydrophobicContact CE2-CB 4.33Å; D9-Y44 PolarHBondContact OD2-OH 3.33Å; D9-I58 HydrophobicContact CB-CD1 3.35Å; D9-I58 WeakPolarHBondContact OD2-CD1 3.32Å; D9-Q61 PolarHBondContact OD1-NE2 2.89Å; D9-Q61 PolarHBondContact OD2-NE2 3.04Å; D9-D318 WeakPolarHBondContact O-CA 3.32Å; D9-I319 HydrophobicContact CB-CB 4.44Å; D9-I319 PolarHBondContact N-O 3.13Å; D9-I319 PolarHBondContact O-N 3.31Å
10K89.8Confident82.9Confident118 Ų11856.3 Ų56.351%0.51330%0.3SS..EExtended strand (participates in β ladder)trans-129.6113.6170.3-174171.7-163.7107.10109.6Q61 G317 D318K10-Q61 PolarHBondContact O-NE2 3.32Å; K10-G317 WeakPolarHBondContact CA-O 3.28Å; K10-D318 VanDerWaalsContact CD-OD1 3.32Å; K10-D318 WeakPolarHBondContact CD-OD1 3.27Å; K10-D318 WeakPolarHBondContact CE-OD1 3.42Å; K10-D318 VanDerWaalsContact CG-OD1 3.28Å; K10-D318 WeakPolarHBondContact CG-OD1 3.44Å; K10-D318 IonicContact NZ-OD1 3.23Å; K10-D318 PolarHBondContact NZ-OD1 3.16Å; K10-D318 IonicContact NZ-OD2 3.87Å
11I90.6Very high83.4Confident4 Ų454 Ų542%0.02129%0.289CS..  trans-82.8153.6174.863.9164.1000110.5F13 I15 F34 Y44 F63 G317 I319I11-F13 HydrophobicContact CD1-CB 4.17Å; I11-F13 PolarHBondContact O-N 3.21Å; I11-I15 HydrophobicContact CD1-CD1 3.8Å; I11-I15 HydrophobicContact CD1-CG1 3.93Å; I11-F34 HydrophobicContact CD1-CD1 4.47Å; I11-F34 HydrophobicContact CD1-CD2 4.39Å; I11-F34 HydrophobicContact CD1-CE1 3.78Å; I11-F34 HydrophobicContact CD1-CE2 3.67Å; I11-F34 HydrophobicContact CD1-CZ 3.33Å; I11-Y44 HydrophobicContact CG2-CD2 3.96Å; I11-Y44 HydrophobicContact CG2-CE2 3.83Å; I11-F63 HydrophobicContact CB-CE1 4.14Å; I11-F63 HydrophobicContact CB-CZ 3.99Å; I11-F63 HydrophobicContact CG2-CE1 3.89Å; I11-F63 HydrophobicContact CG2-CZ 3.86Å; I11-G317 VanDerWaalsContact CG1-CA 3.49Å; I11-G317 VanDerWaalsContact CG1-O 3.27Å; I11-G317 WeakPolarHBondContact CG1-O 3.45Å; I11-G317 PolarHBondContact N-O 2.97Å; I11-I319 HydrophobicContact CG2-CD1 3.65Å; I11-I319 HydrophobicContact CG2-CG1 4.49Å
12S88.6Confident85.1Confident98 Ų9852.6 Ų52.669%0.68528%0.281SS*.SBendtrans-776.1-179.354.80000114.7
13F90Very high86.8Confident53 Ų5347 Ų4723%0.23225%0.251CS..SBendtrans-117.4141.5-173.2-58.2-77.2000111.5I11 F34 T36 Y42 F63I11-F13 HydrophobicContact CD1-CB 4.17Å; I11-F13 PolarHBondContact O-N 3.21Å; F13-F34 HydrophobicContact CB-CE2 3.99Å; F13-F34 HydrophobicContact CB-CZ 4.45Å; F13-F34 HydrophobicContact CD2-CE2 4.46Å; F13-F34 HydrophobicContact CD2-CZ 4.19Å; F13-F34 HydrophobicContact CG-CE2 4.46Å; F13-T36 HydrophobicContact CB-CG2 3.84Å; F13-T36 HydrophobicContact CD1-CG2 4.1Å; F13-T36 HydrophobicContact CG-CG2 4.11Å; F13-Y42 HydrophobicContact CE1-CE2 4.28Å; F13-Y42 HydrophobicContact CZ-CE1 4.35Å; F13-F63 HydrophobicContact CD2-CD1 4.27Å; F13-F63 AromaticContact CD2-CE1 3.97Å; F13-F63 HydrophobicContact CD2-CE1 3.97Å; F13-F63 HydrophobicContact CD2-CZ 4.16Å; F13-F63 AromaticContact CE2-CD1 3.89Å; F13-F63 HydrophobicContact CE2-CD1 3.89Å; F13-F63 AromaticContact CE2-CD2 3.97Å; F13-F63 HydrophobicContact CE2-CD2 3.97Å; F13-F63 AromaticContact CE2-CE1 3.89Å; F13-F63 HydrophobicContact CE2-CE1 3.89Å; F13-F63 AromaticContact CE2-CE2 3.98Å; F13-F63 HydrophobicContact CE2-CE2 3.98Å; F13-F63 AromaticContact CE2-CG 3.92Å; F13-F63 HydrophobicContact CE2-CG 3.92Å; F13-F63 AromaticContact CE2-CZ 3.94Å; F13-F63 HydrophobicContact CE2-CZ 3.94Å
14K93.3Very high88.1Confident103 Ų10348.5 Ų48.545%0.44825%0.251SS..PPolyproline II helixtrans-79.2129.3167.1-63.3-169179.6-128.30110.2T36 S37 I315 E316K14-T36 VanDerWaalsContact O-CA 3.3Å; K14-T36 WeakPolarHBondContact O-CA 3.43Å; K14-S37 PolarHBondContact O-N 2.84Å; K14-I315 CarbonylContact C-O 3.59Å; K14-I315 VanDerWaalsContact CA-O 3.23Å; K14-I315 WeakPolarHBondContact CA-O 3.48Å; K14-E316 VanDerWaalsContact CE-OE2 3.24Å; K14-E316 WeakPolarHBondContact CE-OE2 3.44Å; K14-E316 IonicContact NZ-OE1 2.7Å; K14-E316 PolarHBondContact NZ-OE1 2.85Å; K14-E316 IonicContact NZ-OE2 2.69Å; K14-E316 PolarHBondContact NZ-OE2 2.98Å
15I94.1Very high89Confident2 Ų242.9 Ų42.91%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-95.5132.7-177.3-54.3-179.8000109.3I11 V20 F34 A296 C313 I315I11-I15 HydrophobicContact CD1-CD1 3.8Å; I11-I15 HydrophobicContact CD1-CG1 3.93Å; I15-V20 HydrophobicContact CG2-CG2 3.56Å; I15-F34 HydrophobicContact CD1-CD2 4.36Å; I15-F34 HydrophobicContact CD1-CG 4.33Å; I15-F34 HydrophobicContact CG1-CD2 3.85Å; I15-F34 HydrophobicContact CG1-CE2 4.3Å; I15-F34 HydrophobicContact CG1-CG 4.27Å; I15-F34 HydrophobicContact CG2-CB 3.94Å; I15-F34 HydrophobicContact CG2-CD2 4.35Å; I15-F34 HydrophobicContact CG2-CG 4.44Å; I15-A296 HydrophobicContact CB-CB 4.01Å; I15-A296 HydrophobicContact CG2-CB 3.75Å; I15-C313 HydrophobicContact CD1-CB 3.96Å; I15-I315 PolarHBondContact N-O 2.9Å
16L93.7Very high89.4Confident47 Ų4740.3 Ų40.325%0.24621%0.212CC..EExtended strand (participates in β ladder)trans-72.6134.9171.4-73.8175.5000110.3L19 V35 T36L16-L19 HydrophobicContact CB-CB 4.19Å; L16-L19 HydrophobicContact CB-CD1 3.85Å; L16-L19 HydrophobicContact CB-CG 4.31Å; L16-L19 HydrophobicContact CD1-CD1 3.8Å; L16-L19 HydrophobicContact CG-CD1 4.49Å; L16-L19 PolarHBondContact O-N 3.02Å; L16-V35 HydrophobicContact CD1-CB 4.47Å; L16-V35 HydrophobicContact CD1-CG1 3.97Å; L16-V35 PolarHBondContact N-O 3.45Å; L16-T36 VanDerWaalsContact CD1-O 3.29Å; L16-T36 WeakPolarHBondContact CD1-O 3.35Å
17P92.9Very high88.9Confident51 Ų5141.3 Ų41.333%0.33122%0.22SC..EExtended strand (participates in β ladder)trans-61.2146.2178.727.2-34000110.5L19 I251 I315P17-L19 PolarHBondContact O-N 3.39Å; P17-I251 HydrophobicContact CB-CG2 3.82Å; P17-I315 HydrophobicContact CB-CD1 4.26Å; P17-I315 HydrophobicContact CG-CD1 4.34Å
18E90.7Very high88.6Confident89 Ų8945 Ų4542%0.41624%0.241SC..EExtended strand (participates in β ladder)trans69.5-11.7179.2-39.6-173.3163.500115.3V20 K214 I251 A296E18-V20 VanDerWaalsContact C-N 3.34Å; E18-V20 PolarHBondContact O-N 3.34Å; E18-K214 WeakPolarHBondContact OE1-CE 3.42Å; E18-K214 IonicContact OE1-NZ 2.72Å; E18-K214 PolarHBondContact OE1-NZ 2.9Å; E18-K214 VanDerWaalsContact OE1-NZ 3.13Å; E18-K214 IonicContact OE2-NZ 3.76Å; E18-K214 PolarHBondContact OE2-NZ 3.15Å; E18-I251 HydrophobicContact CG-CG2 3.88Å; E18-A296 PolarHBondContact N-O 3.19Å
19L94Very high88.5Confident12 Ų1245.3 Ų45.36%0.06324%0.235CC..EExtended strand (participates in β ladder)trans-99.955.2-177.4-62-176.1000111.8L16 P17 F34 V35 I72 C73 I75L16-L19 HydrophobicContact CB-CB 4.19Å; L16-L19 HydrophobicContact CB-CD1 3.85Å; L16-L19 HydrophobicContact CB-CG 4.31Å; L16-L19 HydrophobicContact CD1-CD1 3.8Å; L16-L19 HydrophobicContact CG-CD1 4.49Å; L16-L19 PolarHBondContact O-N 3.02Å; P17-L19 PolarHBondContact O-N 3.39Å; L19-F34 WeakPolarHBondContact O-CA 3.33Å; L19-V35 HydrophobicContact CB-CB 3.71Å; L19-V35 HydrophobicContact CB-CG2 3.67Å; L19-V35 HydrophobicContact CD1-CB 3.88Å; L19-V35 HydrophobicContact CD1-CG1 4.12Å; L19-V35 HydrophobicContact CD1-CG2 4.1Å; L19-V35 HydrophobicContact CG-CB 4.44Å; L19-V35 HydrophobicContact CG-CG2 4.4Å; L19-V35 PolarHBondContact O-N 3.49Å; L19-I72 HydrophobicContact CD1-CG2 4.4Å; L19-C73 VanDerWaalsContact CD2-C 3.48Å; L19-C73 WeakPolarHBondContact CD2-O 3.38Å; L19-I75 HydrophobicContact CB-CG2 4.49Å
20V93.7Very high88.4Confident19 Ų1949.7 Ų49.712%0.11525%0.25CS..EExtended strand (participates in β ladder)trans-133.4129.4178.8-176.80000108.7I15 E18 F22 L32 A33 F34 A296I15-V20 HydrophobicContact CG2-CG2 3.56Å; E18-V20 VanDerWaalsContact C-N 3.34Å; E18-V20 PolarHBondContact O-N 3.34Å; V20-F22 HydrophobicContact CG1-CD2 4.29Å; V20-F22 HydrophobicContact CG1-CE2 3.61Å; V20-F22 HydrophobicContact CG1-CZ 4.11Å; V20-L32 HydrophobicContact CG1-CD1 3.33Å; V20-L32 HydrophobicContact CG1-CG 4.5Å; V20-A33 WeakPolarHBondContact CA-O 3.46Å; V20-F34 HydrophobicContact CG2-CB 4.17Å; V20-A296 HydrophobicContact CG2-CB 4.45Å
21C92.8Very high88.4Confident10 Ų1044 Ų447%0.06823%0.226CC..EExtended strand (participates in β ladder)trans-137165.4173.264.20000110.7A33 I75 T77C21-A33 PolarHBondContact N-O 2.98Å; C21-A33 PolarHBondContact O-N 2.93Å; C21-A33 VanDerWaalsContact O-O 3.05Å; C21-I75 HydrophobicContact CB-CG2 4.07Å; C21-T77 HydrophobicContact CB-CG2 4.13Å
22F89.9Confident88.4Confident27 Ų2743.9 Ų43.912%0.11823%0.225CC..EExtended strand (participates in β ladder)trans-136.7138.9-176-64.5-104.7000108.9V20 V31 L32 T77 T299 L311V20-F22 HydrophobicContact CG1-CD2 4.29Å; V20-F22 HydrophobicContact CG1-CE2 3.61Å; V20-F22 HydrophobicContact CG1-CZ 4.11Å; F22-V31 WeakPolarHBondContact CA-O 3.34Å; F22-L32 HydrophobicContact CD1-CB 4.09Å; F22-L32 HydrophobicContact CD1-CD1 3.83Å; F22-L32 HydrophobicContact CD2-CD1 4.25Å; F22-L32 HydrophobicContact CE1-CB 3.92Å; F22-L32 HydrophobicContact CE1-CD1 3.18Å; F22-L32 HydrophobicContact CE1-CG 4.14Å; F22-L32 HydrophobicContact CE2-CD1 3.67Å; F22-L32 HydrophobicContact CG-CD1 4.34Å; F22-L32 HydrophobicContact CZ-CD1 3.1Å; F22-L32 HydrophobicContact CZ-CG 4.43Å; F22-T77 PolarHBondContact O-OG1 3.05Å; F22-T299 HydrophobicContact CB-CG2 3.92Å; F22-T299 HydrophobicContact CD1-CG2 3.34Å; F22-T299 HydrophobicContact CD2-CG2 3.32Å; F22-T299 HydrophobicContact CE1-CG2 3.4Å; F22-T299 VanDerWaalsContact CE1-CG2 3.4Å; F22-T299 HydrophobicContact CE2-CG2 3.4Å; F22-T299 VanDerWaalsContact CE2-CG2 3.4Å; F22-T299 HydrophobicContact CG-CG2 3.27Å; F22-T299 HydrophobicContact CZ-CG2 3.42Å; F22-T299 VanDerWaalsContact CZ-CG2 3.42Å; F22-L311 HydrophobicContact CD1-CD1 4.48Å; F22-L311 HydrophobicContact CE1-CB 3.79Å; F22-L311 HydrophobicContact CE1-CD1 3.99Å; F22-L311 HydrophobicContact CE1-CD2 4.32Å; F22-L311 HydrophobicContact CE1-CG 4.25Å; F22-L311 HydrophobicContact CZ-CB 3.93Å
23G89Confident88.6Confident0 Ų039.2 Ų39.20%019%0.192CC..EExtended strand (participates in β ladder)trans-175.1168.5-177.700000111.1L25 Y30 V31 D88G23-L25 PolarHBondContact O-N 3.35Å; G23-Y30 WeakPolarHBondContact O-CA 3.36Å; G23-V31 PolarHBondContact N-O 3.47Å; G23-V31 VanDerWaalsContact N-O 3.15Å; G23-V31 WeakPolarHBondContact O-CG2 3.43Å; G23-V31 PolarHBondContact O-N 2.75Å; G23-D88 WeakPolarHBondContact CA-OD2 3.37Å
24R89.6Confident88.8Confident56 Ų5636.7 Ų36.721%0.21118%0.181CC..  trans-78.566.7173-168.2171.4178.1170.621.6110.8T26 S27 Y30 R86 D88R24-T26 VanDerWaalsContact C-N 3.26Å; R24-T26 VanDerWaalsContact CG-O 3.25Å; R24-T26 WeakPolarHBondContact CG-O 3.48Å; R24-S27 PolarHBondContact NE-O 3.12Å; R24-S27 VanDerWaalsContact NE-O 3.12Å; R24-S27 PolarHBondContact NH2-O 2.95Å; R24-Y30 HydrophobicContact CB-CD1 4.45Å; R24-Y30 HydrophobicContact CB-CE1 4.35Å; R24-R86 VanDerWaalsContact CD-O 3.29Å; R24-R86 WeakPolarHBondContact CD-O 3.3Å; R24-D88 PolarHBondContact N-OD2 3.47Å; R24-D88 PolarHBondContact O-N 3.42Å
25L86.8Confident88.9Confident1 Ų131.8 Ų31.81%0.00516%0.16CC..  trans-83.8-6.1179.5-56.8174.1000112.4G23 V31 A33 I43 T77 D88 L90 S103 V104G23-L25 PolarHBondContact O-N 3.35Å; L25-V31 HydrophobicContact CB-CG2 3.6Å; L25-V31 HydrophobicContact CD1-CG2 4.38Å; L25-V31 HydrophobicContact CG-CG2 4.24Å; L25-A33 HydrophobicContact CD1-CB 3.65Å; L25-I43 HydrophobicContact CB-CD1 3.93Å; L25-I43 HydrophobicContact CD1-CD1 4Å; L25-I43 HydrophobicContact CD1-CG1 4.01Å; L25-T77 HydrophobicContact CD1-CG2 4.06Å; L25-T77 HydrophobicContact CD2-CG2 3.96Å; L25-T77 HydrophobicContact CG-CG2 4.19Å; L25-D88 HydrophobicContact CD2-CB 4.24Å; L25-D88 WeakPolarHBondContact CD2-O 3.48Å; L25-L90 HydrophobicContact CD1-CD1 3.96Å; L25-L90 HydrophobicContact CD2-CB 4.06Å; L25-L90 HydrophobicContact CD2-CD1 4.46Å; L25-S103 WeakPolarHBondContact CB-OG 3.36Å; L25-S103 PolarHBondContact O-OG 3.14Å; L25-V104 VanDerWaalsContact O-CG2 3.3Å; L25-V104 WeakPolarHBondContact O-CG2 3.47Å
26T83.2Confident88.8Confident19 Ų1931.8 Ų31.812%0.11716%0.16CC..SBendtrans-122.3151.9168.364.70000108.1R24 D28 H29 V31 I64R24-T26 VanDerWaalsContact C-N 3.26Å; R24-T26 VanDerWaalsContact CG-O 3.25Å; R24-T26 WeakPolarHBondContact CG-O 3.48Å; T26-D28 PolarHBondContact O-N 3.5Å; T26-H29 PolarHBondContact OG1-O 3.32Å; T26-V31 HydrophobicContact CG2-CG1 4.2Å; T26-V31 HydrophobicContact CG2-CG2 4.19Å; T26-I64 HydrophobicContact CG2-CD1 4.22Å
27S70.6Confident88.6Confident51 Ų5133.7 Ų33.736%0.35718%0.177SC..SBendtrans-54.6-23.5-16945.30000115.5R24 R86R24-S27 PolarHBondContact NE-O 3.12Å; R24-S27 VanDerWaalsContact NE-O 3.12Å; R24-S27 PolarHBondContact NH2-O 2.95Å; S27-R86 PolarHBondContact O-NE 2.77Å; S27-R86 VanDerWaalsContact O-NE 3.12Å; S27-R86 PolarHBondContact O-NH2 3.44Å
28D75.5Confident88.3Confident90 Ų9034.6 Ų34.648%0.48118%0.184SC..SBendtrans-117.6-30.1-163.8-61.1-43.3000114.3T26 R86T26-D28 PolarHBondContact O-N 3.5Å; D28-R86 IonicContact OD1-NH2 3.76Å; D28-R86 PolarHBondContact OD1-NH2 2.61Å; D28-R86 VanDerWaalsContact OD1-NH2 3.16Å
29H81.1Confident88.1Confident79 Ų7932.4 Ų32.437%0.36618%0.176SC..SBendtrans-141.1154-172.2-56.9-54.5000113.2T26 Y304T26-H29 PolarHBondContact OG1-O 3.32Å; H29-Y304 HydrophobicContact CB-CD1 4.31Å; H29-Y304 HydrophobicContact CB-CD2 4.3Å; H29-Y304 HydrophobicContact CB-CE1 4.16Å; H29-Y304 HydrophobicContact CB-CE2 4.14Å; H29-Y304 HydrophobicContact CB-CG 4.4Å; H29-Y304 AromaticContact CD2-CD1 3.69Å; H29-Y304 AromaticContact CD2-CE1 3.58Å; H29-Y304 AromaticContact CG-CD1 3.96Å
30Y86.3Confident87.9Confident114 Ų11433.4 Ų33.445%0.44718%0.18SC..  trans-65.8130.5163.7-73.9-88.4000109.2G23 R24 D302 Y303G23-Y30 WeakPolarHBondContact O-CA 3.36Å; R24-Y30 HydrophobicContact CB-CD1 4.45Å; R24-Y30 HydrophobicContact CB-CE1 4.35Å; Y30-D302 WeakPolarHBondContact CB-O 3.27Å; Y30-Y303 VanDerWaalsContact O-CD2 3.24Å; Y30-Y303 WeakPolarHBondContact O-CD2 3.48Å; Y30-Y303 VanDerWaalsContact O-CE2 3.26Å; Y30-Y303 WeakPolarHBondContact O-CE2 3.32Å
31V89.3Confident87.9Confident0 Ų032.7 Ų32.70%018%0.175CC..EExtended strand (participates in β ladder)trans-128.6154.7-177.2-72.20000109.7F22 G23 L25 T26 I43 N45 Y304F22-V31 WeakPolarHBondContact CA-O 3.34Å; G23-V31 PolarHBondContact N-O 3.47Å; G23-V31 VanDerWaalsContact N-O 3.15Å; G23-V31 WeakPolarHBondContact O-CG2 3.43Å; G23-V31 PolarHBondContact O-N 2.75Å; L25-V31 HydrophobicContact CB-CG2 3.6Å; L25-V31 HydrophobicContact CD1-CG2 4.38Å; L25-V31 HydrophobicContact CG-CG2 4.24Å; T26-V31 HydrophobicContact CG2-CG1 4.2Å; T26-V31 HydrophobicContact CG2-CG2 4.19Å; V31-I43 HydrophobicContact CB-CG2 3.88Å; V31-I43 HydrophobicContact CG2-CG2 3.52Å; V31-N45 HydrophobicContact CG1-CB 4.46Å; V31-Y304 HydrophobicContact CG1-CE2 4.03Å; V31-Y304 WeakPolarHBondContact CG1-OH 3.37Å
32L90.8Very high87.9Confident0 Ų033.9 Ų33.90%018%0.179CC..EExtended strand (participates in β ladder)trans-82.7131.4175.9173.480.4000108.8V20 F22 F34 I43 Y44 I319V20-L32 HydrophobicContact CG1-CD1 3.33Å; V20-L32 HydrophobicContact CG1-CG 4.5Å; F22-L32 HydrophobicContact CD1-CB 4.09Å; F22-L32 HydrophobicContact CD1-CD1 3.83Å; F22-L32 HydrophobicContact CD2-CD1 4.25Å; F22-L32 HydrophobicContact CE1-CB 3.92Å; F22-L32 HydrophobicContact CE1-CD1 3.18Å; F22-L32 HydrophobicContact CE1-CG 4.14Å; F22-L32 HydrophobicContact CE2-CD1 3.67Å; F22-L32 HydrophobicContact CG-CD1 4.34Å; F22-L32 HydrophobicContact CZ-CD1 3.1Å; F22-L32 HydrophobicContact CZ-CG 4.43Å; L32-F34 HydrophobicContact CD2-CD1 3.88Å; L32-F34 HydrophobicContact CD2-CE1 4.38Å; L32-F34 HydrophobicContact CG-CD1 4.09Å; L32-I43 CarbonylContact O-C 3.54Å; L32-I43 WeakPolarHBondContact O-CA 3.36Å; L32-Y44 HydrophobicContact CB-CD1 4.19Å; L32-Y44 HydrophobicContact CD2-CD1 4.05Å; L32-Y44 HydrophobicContact CD2-CG 4.49Å; L32-Y44 PolarHBondContact O-N 2.92Å; L32-I319 HydrophobicContact CD2-CD1 3.63Å; L32-I319 HydrophobicContact CD2-CG1 4.36Å
33A93.3Very high88Confident0 Ų032.6 Ų32.60%017%0.173CC..EExtended strand (participates in β ladder)trans-117.2137165.300000109.9V20 C21 L25 Y42 I43 L90V20-A33 WeakPolarHBondContact CA-O 3.46Å; C21-A33 PolarHBondContact N-O 2.98Å; C21-A33 PolarHBondContact O-N 2.93Å; C21-A33 VanDerWaalsContact O-O 3.05Å; L25-A33 HydrophobicContact CD1-CB 3.65Å; A33-Y42 VanDerWaalsContact CA-O 3.3Å; A33-Y42 WeakPolarHBondContact CA-O 3.48Å; A33-I43 HydrophobicContact CB-CG1 4.15Å; A33-L90 HydrophobicContact CB-CD1 4.07Å
34F94.4Very high88.1Confident0 Ų032.6 Ų32.60%017%0.173CC..EExtended strand (participates in β ladder)trans-147158.2-177.964.4-88.2000112.1I11 F13 I15 L19 V20 L32 T36 V41 Y42 F63I11-F34 HydrophobicContact CD1-CD1 4.47Å; I11-F34 HydrophobicContact CD1-CD2 4.39Å; I11-F34 HydrophobicContact CD1-CE1 3.78Å; I11-F34 HydrophobicContact CD1-CE2 3.67Å; I11-F34 HydrophobicContact CD1-CZ 3.33Å; F13-F34 HydrophobicContact CB-CE2 3.99Å; F13-F34 HydrophobicContact CB-CZ 4.45Å; F13-F34 HydrophobicContact CD2-CE2 4.46Å; F13-F34 HydrophobicContact CD2-CZ 4.19Å; F13-F34 HydrophobicContact CG-CE2 4.46Å; I15-F34 HydrophobicContact CD1-CD2 4.36Å; I15-F34 HydrophobicContact CD1-CG 4.33Å; I15-F34 HydrophobicContact CG1-CD2 3.85Å; I15-F34 HydrophobicContact CG1-CE2 4.3Å; I15-F34 HydrophobicContact CG1-CG 4.27Å; I15-F34 HydrophobicContact CG2-CB 3.94Å; I15-F34 HydrophobicContact CG2-CD2 4.35Å; I15-F34 HydrophobicContact CG2-CG 4.44Å; L19-F34 WeakPolarHBondContact O-CA 3.33Å; V20-F34 HydrophobicContact CG2-CB 4.17Å; L32-F34 HydrophobicContact CD2-CD1 3.88Å; L32-F34 HydrophobicContact CD2-CE1 4.38Å; L32-F34 HydrophobicContact CG-CD1 4.09Å; F34-T36 HydrophobicContact CD2-CG2 4.18Å; F34-T36 HydrophobicContact CE2-CG2 3.74Å; F34-V41 WeakPolarHBondContact O-CA 3.47Å; F34-Y42 PolarHBondContact N-O 3.27Å; F34-Y42 PolarHBondContact O-N 3.27Å; F34-F63 HydrophobicContact CZ-CD1 4.36Å; F34-F63 HydrophobicContact CZ-CE1 4.25Å
35V94.4Very high88Confident0 Ų031.9 Ų31.90%017%0.173CC..EExtended strand (participates in β ladder)trans-103.6133.1176-169.20000109.9L16 L19 K40 V41 I72 I75L16-V35 HydrophobicContact CD1-CB 4.47Å; L16-V35 HydrophobicContact CD1-CG1 3.97Å; L16-V35 PolarHBondContact N-O 3.45Å; L19-V35 HydrophobicContact CB-CB 3.71Å; L19-V35 HydrophobicContact CB-CG2 3.67Å; L19-V35 HydrophobicContact CD1-CB 3.88Å; L19-V35 HydrophobicContact CD1-CG1 4.12Å; L19-V35 HydrophobicContact CD1-CG2 4.1Å; L19-V35 HydrophobicContact CG-CB 4.44Å; L19-V35 HydrophobicContact CG-CG2 4.4Å; L19-V35 PolarHBondContact O-N 3.49Å; V35-K40 WeakPolarHBondContact CA-O 3.31Å; V35-V41 HydrophobicContact CG2-CG2 4.23Å; V35-I72 HydrophobicContact CG1-CB 4.2Å; V35-I72 HydrophobicContact CG1-CD1 3.83Å; V35-I72 HydrophobicContact CG1-CG2 4.45Å; V35-I72 HydrophobicContact CG2-CD1 4.34Å; V35-I72 HydrophobicContact CG2-CG2 3.89Å; V35-I75 HydrophobicContact CG2-CD1 4.13Å
36T93.4Very high87.8Confident3 Ų331.8 Ų31.82%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-87163.817760.20000111.8F13 K14 L16 F34 S38 D39 K40 Y42F13-T36 HydrophobicContact CB-CG2 3.84Å; F13-T36 HydrophobicContact CD1-CG2 4.1Å; F13-T36 HydrophobicContact CG-CG2 4.11Å; K14-T36 VanDerWaalsContact O-CA 3.3Å; K14-T36 WeakPolarHBondContact O-CA 3.43Å; L16-T36 VanDerWaalsContact CD1-O 3.29Å; L16-T36 WeakPolarHBondContact CD1-O 3.35Å; F34-T36 HydrophobicContact CD2-CG2 4.18Å; F34-T36 HydrophobicContact CE2-CG2 3.74Å; T36-S38 PolarHBondContact O-N 3.48Å; T36-S38 PolarHBondContact OG1-OG 3.01Å; T36-D39 PolarHBondContact O-N 2.99Å; T36-K40 PolarHBondContact N-O 3.47Å; T36-K40 PolarHBondContact OG1-N 3.48Å; T36-K40 PolarHBondContact OG1-O 2.83Å; T36-K40 VanDerWaalsContact OG1-O 3.1Å; T36-Y42 HydrophobicContact CG2-CD2 3.62Å; T36-Y42 HydrophobicContact CG2-CE2 3.86Å
37S88.1Confident87.7Confident86 Ų8636.1 Ų36.160%0.60119%0.19SC*.THydrogen-bonded Turntrans-58.9-7172.763.50000114.9K14K14-S37 PolarHBondContact O-N 2.84Å
38S86.7Confident88Confident70 Ų7035 Ų3549%0.4918%0.178SC..THydrogen-bonded Turntrans-98.212.7175.270.80000113.9T36 K40T36-S38 PolarHBondContact O-N 3.48Å; T36-S38 PolarHBondContact OG1-OG 3.01Å; S38-K40 VanDerWaalsContact C-N 3.26Å; S38-K40 PolarHBondContact O-N 2.98Å; S38-K40 WeakPolarHBondContact OG-CG 3.36Å
39D86.3Confident87.7Confident44 Ų4437.1 Ų37.124%0.23518%0.181CC..SBendtrans5440.8-172.9-70-16.1000112.7T36 S71T36-D39 PolarHBondContact O-N 2.99Å; D39-S71 WeakPolarHBondContact OD2-CA 3.28Å; D39-S71 PolarHBondContact OD2-N 3.25Å
40K90.9Very high87.3Confident33 Ų3337.8 Ų37.814%0.14318%0.184CC..  trans-115.3135.1172.9-57.6-59.4162.6-154.20110.2V35 T36 S38 Y42 H70V35-K40 WeakPolarHBondContact CA-O 3.31Å; T36-K40 PolarHBondContact N-O 3.47Å; T36-K40 PolarHBondContact OG1-N 3.48Å; T36-K40 PolarHBondContact OG1-O 2.83Å; T36-K40 VanDerWaalsContact OG1-O 3.1Å; S38-K40 VanDerWaalsContact C-N 3.26Å; S38-K40 PolarHBondContact O-N 2.98Å; S38-K40 WeakPolarHBondContact OG-CG 3.36Å; K40-Y42 HydrophobicContact CB-CD2 4.31Å; K40-Y42 HydrophobicContact CB-CE2 3.72Å; K40-H70 PolarHBondContact NZ-NE2 3.11Å
41V93Very high86.2Confident3 Ų333.6 Ų33.62%0.01817%0.171CC..EExtended strand (participates in β ladder)trans-90.9130.4177.3-170.10000109F34 V35 C66 I72 I75 L90 I92F34-V41 WeakPolarHBondContact O-CA 3.47Å; V35-V41 HydrophobicContact CG2-CG2 4.23Å; V41-C66 HydrophobicContact CB-CB 4.06Å; V41-C66 HydrophobicContact CG1-CB 4.17Å; V41-C66 PolarHBondContact O-N 2.95Å; V41-I72 HydrophobicContact CG2-CD1 3.41Å; V41-I72 VanDerWaalsContact CG2-CD1 3.41Å; V41-I75 HydrophobicContact CG1-CD1 3.65Å; V41-L90 HydrophobicContact CG1-CD2 3.9Å; V41-I92 HydrophobicContact CG2-CD1 4Å; V41-I92 HydrophobicContact CG2-CG1 4.5Å
42Y93.3Very high84.8Confident36 Ų3640 Ų4014%0.14122%0.216CC..EExtended strand (participates in β ladder)trans-125.9139.9174.3-73.1-86.5000110.1F13 A33 F34 T36 K40 F63 I64 K65F13-Y42 HydrophobicContact CE1-CE2 4.28Å; F13-Y42 HydrophobicContact CZ-CE1 4.35Å; A33-Y42 VanDerWaalsContact CA-O 3.3Å; A33-Y42 WeakPolarHBondContact CA-O 3.48Å; F34-Y42 PolarHBondContact N-O 3.27Å; F34-Y42 PolarHBondContact O-N 3.27Å; T36-Y42 HydrophobicContact CG2-CD2 3.62Å; T36-Y42 HydrophobicContact CG2-CE2 3.86Å; K40-Y42 HydrophobicContact CB-CD2 4.31Å; K40-Y42 HydrophobicContact CB-CE2 3.72Å; Y42-F63 HydrophobicContact CD1-CB 3.96Å; Y42-I64 CarbonylContact C-O 3.45Å; Y42-I64 WeakPolarHBondContact CA-O 3.32Å; Y42-K65 HydrophobicContact CD1-CB 4.03Å; Y42-K65 HydrophobicContact CD1-CG 4.46Å; Y42-K65 HydrophobicContact CE1-CB 3.66Å; Y42-K65 HydrophobicContact CE1-CD 4.42Å; Y42-K65 HydrophobicContact CE1-CG 3.93Å
43I92.1Very high83.2Confident0 Ų048 Ų480%025%0.253CS..EExtended strand (participates in β ladder)trans-98.7123.5165.2-59.4167.4000107.3L25 V31 L32 A33 F63 I64 C66 S103L25-I43 HydrophobicContact CB-CD1 3.93Å; L25-I43 HydrophobicContact CD1-CD1 4Å; L25-I43 HydrophobicContact CD1-CG1 4.01Å; V31-I43 HydrophobicContact CB-CG2 3.88Å; V31-I43 HydrophobicContact CG2-CG2 3.52Å; L32-I43 CarbonylContact O-C 3.54Å; L32-I43 WeakPolarHBondContact O-CA 3.36Å; A33-I43 HydrophobicContact CB-CG1 4.15Å; I43-F63 WeakPolarHBondContact O-CA 3.43Å; I43-I64 HydrophobicContact CB-CB 4.19Å; I43-I64 PolarHBondContact N-O 2.68Å; I43-I64 PolarHBondContact O-N 3.08Å; I43-C66 WeakPolarHBondContact CD1-SG 3.28Å; I43-S103 VanDerWaalsContact CD1-CB 3.45Å
44Y90.4Very high81.8Confident0 Ų051 Ų510%029%0.285CS..EExtended strand (participates in β ladder)trans-91.8113.9175.5169-111.7000110D9 I11 L32 P46 Q61 F63 Y303 I319D9-Y44 PolarHBondContact OD2-OH 3.33Å; I11-Y44 HydrophobicContact CG2-CD2 3.96Å; I11-Y44 HydrophobicContact CG2-CE2 3.83Å; L32-Y44 HydrophobicContact CB-CD1 4.19Å; L32-Y44 HydrophobicContact CD2-CD1 4.05Å; L32-Y44 HydrophobicContact CD2-CG 4.49Å; L32-Y44 PolarHBondContact O-N 2.92Å; Y44-P46 HydrophobicContact CD1-CG 4.11Å; Y44-P46 HydrophobicContact CE1-CB 4.06Å; Y44-P46 HydrophobicContact CE1-CG 3.47Å; Y44-P46 VanDerWaalsContact CE1-CG 3.47Å; Y44-P46 HydrophobicContact CE2-CB 3.95Å; Y44-P46 HydrophobicContact CE2-CG 4.21Å; Y44-P46 WeakPolarHBondContact O-CD 3.47Å; Y44-P46 WeakPolarHBondContact OH-CB 3.44Å; Y44-Q61 HydrophobicContact CE2-CB 4.27Å; Y44-Q61 HydrophobicContact CE2-CG 4.16Å; Y44-F63 HydrophobicContact CD2-CD1 4.22Å; Y44-F63 AromaticContact CD2-CE1 3.61Å; Y44-F63 HydrophobicContact CD2-CE1 3.61Å; Y44-F63 HydrophobicContact CD2-CZ 4.09Å; Y44-F63 HydrophobicContact CE2-CE1 4.41Å; Y44-F63 HydrophobicContact CE2-CZ 4.48Å; Y44-F63 HydrophobicContact CG-CE1 4.42Å; Y44-Y303 WeakPolarHBondContact CE1-OH 3.29Å; Y44-I319 HydrophobicContact CD1-CD1 3.74Å; Y44-I319 HydrophobicContact CE1-CD1 3.56Å; Y44-I319 HydrophobicContact CG-CD1 4.33Å
45N87.2Confident80.4Confident40 Ų4054.5 Ų54.521%0.21431%0.306CS..EExtended strand (participates in β ladder)trans-122.476-177.6-179.50.4000109V31 D62 Y304V31-N45 HydrophobicContact CG1-CB 4.46Å; N45-D62 PolarHBondContact N-O 3.15Å; N45-D62 WeakPolarHBondContact O-CB 3.44Å; N45-Y304 WeakPolarHBondContact CA-OH 3.31Å; N45-Y304 PolarHBondContact OD1-OH 3.03Å
46P83.6Confident79.2Confident0 Ų055.6 Ų55.60%031%0.313CS..EExtended strand (participates in β ladder)trans-70149.217929.8-35.7000111.6Y44 F48 I58 S60 Y303 Y304Y44-P46 HydrophobicContact CD1-CG 4.11Å; Y44-P46 HydrophobicContact CE1-CB 4.06Å; Y44-P46 HydrophobicContact CE1-CG 3.47Å; Y44-P46 VanDerWaalsContact CE1-CG 3.47Å; Y44-P46 HydrophobicContact CE2-CB 3.95Å; Y44-P46 HydrophobicContact CE2-CG 4.21Å; Y44-P46 WeakPolarHBondContact O-CD 3.47Å; Y44-P46 WeakPolarHBondContact OH-CB 3.44Å; P46-F48 HydrophobicContact CB-CE2 4.09Å; P46-F48 HydrophobicContact CB-CZ 4.07Å; P46-F48 HydrophobicContact CG-CD2 4.38Å; P46-F48 HydrophobicContact CG-CE2 3.47Å; P46-F48 VanDerWaalsContact CG-CE2 3.47Å; P46-F48 HydrophobicContact CG-CZ 3.6Å; P46-I58 HydrophobicContact CB-CG2 4.25Å; P46-S60 WeakPolarHBondContact CA-O 3.23Å; P46-Y303 WeakPolarHBondContact CD-OH 3.43Å; P46-Y303 VanDerWaalsContact CG-OH 3.29Å; P46-Y303 WeakPolarHBondContact CG-OH 3.42Å; P46-Y304 HydrophobicContact CG-CE2 4.3Å; P46-Y304 VanDerWaalsContact O-CE1 3.31Å; P46-Y304 WeakPolarHBondContact O-CE1 3.38Å
47K80.6Confident78.2Confident109 Ų10962.1 Ų62.147%0.47434%0.341SS..EExtended strand (participates in β ladder)trans-97.8118.5168.9-69.4-179.3-177.6134.80109.5L59 S60 D62K47-L59 HydrophobicContact CB-CB 4.3Å; K47-L59 WeakPolarHBondContact O-CB 3.43Å; K47-L59 PolarHBondContact O-N 3.08Å; K47-S60 PolarHBondContact N-O 2.95Å; K47-D62 VanDerWaalsContact CE-OD2 3.29Å; K47-D62 WeakPolarHBondContact CE-OD2 3.44Å; K47-D62 IonicContact NZ-OD2 3.26Å; K47-D62 PolarHBondContact NZ-OD2 3.43Å
48F77.6Confident77.6Confident27 Ų2760.2 Ų60.212%0.11832%0.323CS..EExtended strand (participates in β ladder)trans-93.2144.1177.8-66.2-77.1000112.1F7 P46 T56 K57 I58 Y303 Y304F7-F48 HydrophobicContact CD1-CE1 4.21Å; F7-F48 HydrophobicContact CD1-CZ 4.35Å; F7-F48 HydrophobicContact CD2-CE1 4.18Å; F7-F48 HydrophobicContact CD2-CZ 4.5Å; F7-F48 HydrophobicContact CE1-CE1 4.33Å; F7-F48 HydrophobicContact CE1-CZ 4.02Å; F7-F48 HydrophobicContact CE2-CE1 4.32Å; F7-F48 HydrophobicContact CE2-CZ 4.2Å; F7-F48 HydrophobicContact CG-CE1 4.14Å; F7-F48 HydrophobicContact CZ-CE1 4.4Å; F7-F48 AromaticContact CZ-CZ 3.95Å; F7-F48 HydrophobicContact CZ-CZ 3.95Å; P46-F48 HydrophobicContact CB-CE2 4.09Å; P46-F48 HydrophobicContact CB-CZ 4.07Å; P46-F48 HydrophobicContact CG-CD2 4.38Å; P46-F48 HydrophobicContact CG-CE2 3.47Å; P46-F48 VanDerWaalsContact CG-CE2 3.47Å; P46-F48 HydrophobicContact CG-CZ 3.6Å; F48-T56 HydrophobicContact CB-CG2 4.2Å; F48-T56 HydrophobicContact CD1-CG2 3.68Å; F48-T56 HydrophobicContact CE1-CG2 4.45Å; F48-T56 HydrophobicContact CG-CG2 4.21Å; F48-K57 CarbonylContact C-O 3.55Å; F48-K57 WeakPolarHBondContact CA-O 3.33Å; F48-I58 HydrophobicContact CD1-CG1 3.82Å; F48-I58 HydrophobicContact CE1-CD1 4.02Å; F48-I58 HydrophobicContact CE1-CG1 3.49Å; F48-I58 VanDerWaalsContact CE1-CG1 3.49Å; F48-I58 HydrophobicContact CZ-CG1 4.41Å; F48-Y303 HydrophobicContact CE2-CD1 4.39Å; F48-Y303 AromaticContact CE2-CE1 3.73Å; F48-Y303 HydrophobicContact CE2-CE1 3.73Å; F48-Y303 HydrophobicContact CZ-CD1 4.49Å; F48-Y303 AromaticContact CZ-CE1 3.74Å; F48-Y303 HydrophobicContact CZ-CE1 3.74Å; F48-Y304 AromaticContact CD2-CD1 3.65Å; F48-Y304 HydrophobicContact CD2-CD1 3.65Å; F48-Y304 HydrophobicContact CD2-CD2 4.17Å; F48-Y304 HydrophobicContact CD2-CE1 4.34Å; F48-Y304 AromaticContact CD2-CG 3.52Å; F48-Y304 HydrophobicContact CD2-CG 3.52Å; F48-Y304 AromaticContact CE2-CD1 3.99Å; F48-Y304 HydrophobicContact CE2-CD1 3.99Å; F48-Y304 AromaticContact CE2-CD2 3.66Å; F48-Y304 HydrophobicContact CE2-CD2 3.66Å; F48-Y304 HydrophobicContact CE2-CE2 4.24Å; F48-Y304 AromaticContact CE2-CG 3.49Å; F48-Y304 HydrophobicContact CE2-CG 3.49Å; F48-Y304 VanDerWaalsContact CE2-CG 3.49Å
49Y70Confident77.1Confident135 Ų13562.6 Ų62.653%0.52933%0.33SS..EExtended strand (participates in β ladder)trans-108.3116.7159-178.9-100.4000108.2K57Y49-K57 PolarHBondContact N-O 3.49Å; Y49-K57 PolarHBondContact O-N 3.46Å
50H71Confident76.8Confident94 Ų9462.2 Ų62.244%0.43533%0.331SS..EExtended strand (participates in β ladder)trans-93.3113.9172.8-59.3-84.4000108.4T56 F306H50-T56 WeakPolarHBondContact ND1-CG2 3.38Å; H50-F306 AromaticContact CE1-CE2 3.66Å; H50-F306 AromaticContact CE1-CZ 3.65Å; H50-F306 AromaticContact ND1-CZ 3.81Å
51S64.1Low76.4Confident26 Ų2663.8 Ų63.818%0.18234%0.339CS..  trans-74.2154.217068.50000110.6E53 G54 T55S51-E53 PolarHBondContact O-N 3.19Å; S51-E53 VanDerWaalsContact O-N 3.17Å; S51-G54 PolarHBondContact O-N 3.34Å; S51-G54 VanDerWaalsContact O-N 3.12Å; S51-T55 WeakPolarHBondContact CB-O 3.42Å; S51-T55 PolarHBondContact N-O 3.14Å; S51-T55 WeakPolarHBondContact OG-CA 3.41Å; S51-T55 PolarHBondContact OG-N 2.89Å; S51-T55 PolarHBondContact OG-O 3.37Å; S51-T55 PolarHBondContact OG-OG1 2.96Å
52S58.7Low76.1Confident133 Ų13366.2 Ų66.293%0.9335%0.351SS*.THydrogen-bonded Turntrans-61.8-17.5172.547.10000113.8G54S52-G54 VanDerWaalsContact C-N 3.28Å
53E58.2Low75.8Confident168 Ų16867.1 Ų67.179%0.78536%0.356SS*.THydrogen-bonded Turntrans-86.55.8177.4-63.8179.8173.800112.9S51 T55S51-E53 PolarHBondContact O-N 3.19Å; S51-E53 VanDerWaalsContact O-N 3.17Å; E53-T55 VanDerWaalsContact C-N 3.27Å; E53-T55 PolarHBondContact O-N 3.1Å
54G64.8Low75.6Confident64 Ų6470.1 Ų70.166%0.6637%0.372SS*.SBendtrans80.41.5179.600000114.4S51 S52S51-G54 PolarHBondContact O-N 3.34Å; S51-G54 VanDerWaalsContact O-N 3.12Å; S52-G54 VanDerWaalsContact C-N 3.28Å
55T64.3Low75.5Confident73 Ų7375.9 Ų75.945%0.44840%0.397SS..  trans-81.5128.3172.768.70000110.8S51 E53S51-T55 WeakPolarHBondContact CB-O 3.42Å; S51-T55 PolarHBondContact N-O 3.14Å; S51-T55 WeakPolarHBondContact OG-CA 3.41Å; S51-T55 PolarHBondContact OG-N 2.89Å; S51-T55 PolarHBondContact OG-O 3.37Å; S51-T55 PolarHBondContact OG-OG1 2.96Å; E53-T55 VanDerWaalsContact C-N 3.27Å; E53-T55 PolarHBondContact O-N 3.1Å
56T69.2Low75.2Confident23 Ų2374 Ų7414%0.14139%0.387CS..EExtended strand (participates in β ladder)trans-98.2125.4176.3-24.30000109.6F48 H50 F306F48-T56 HydrophobicContact CB-CG2 4.2Å; F48-T56 HydrophobicContact CD1-CG2 3.68Å; F48-T56 HydrophobicContact CE1-CG2 4.45Å; F48-T56 HydrophobicContact CG-CG2 4.21Å; H50-T56 WeakPolarHBondContact ND1-CG2 3.38Å; T56-F306 HydrophobicContact CG2-CE2 3.9Å; T56-F306 HydrophobicContact CG2-CZ 3.75Å; T56-F306 VanDerWaalsContact OG1-CZ 3.23Å; T56-F306 WeakPolarHBondContact OG1-CZ 3.44Å
57K71.6Confident74.6Confident141 Ų14175.6 Ų75.661%0.61340%0.398SS*.EExtended strand (participates in β ladder)trans-117.9144.7172.2-69.2-173.3179.8177.70110.5F48 Y49F48-K57 CarbonylContact C-O 3.55Å; F48-K57 WeakPolarHBondContact CA-O 3.33Å; Y49-K57 PolarHBondContact N-O 3.49Å; Y49-K57 PolarHBondContact O-N 3.46Å
58I76Confident74.2Confident46 Ų4674.8 Ų74.824%0.23641%0.406CS..EExtended strand (participates in β ladder)trans-89.9120.7175.4-62.3170000107.7F7 D9 P46 F48 Q61F7-I58 HydrophobicContact CD2-CD1 3.94Å; F7-I58 HydrophobicContact CE2-CD1 4.27Å; D9-I58 HydrophobicContact CB-CD1 3.35Å; D9-I58 WeakPolarHBondContact OD2-CD1 3.32Å; P46-I58 HydrophobicContact CB-CG2 4.25Å; F48-I58 HydrophobicContact CD1-CG1 3.82Å; F48-I58 HydrophobicContact CE1-CD1 4.02Å; F48-I58 HydrophobicContact CE1-CG1 3.49Å; F48-I58 VanDerWaalsContact CE1-CG1 3.49Å; F48-I58 HydrophobicContact CZ-CG1 4.41Å; I58-Q61 HydrophobicContact CG2-CG 4.36Å
59L76.1Confident74.3Confident120 Ų12074.7 Ų74.763%0.62841%0.406SS*.EExtended strand (participates in β ladder)trans-83.6-43.5179.2-69.1171000111.6K47K47-L59 HydrophobicContact CB-CB 4.3Å; K47-L59 WeakPolarHBondContact O-CB 3.43Å; K47-L59 PolarHBondContact O-N 3.08Å
60S80.6Confident74.8Confident36 Ų3673.3 Ų73.325%0.25241%0.405SS..EExtended strand (participates in β ladder)trans-149.2150.9176.876.50000111.4P46 K47 D62P46-S60 WeakPolarHBondContact CA-O 3.23Å; K47-S60 PolarHBondContact N-O 2.95Å; S60-D62 PolarHBondContact OG-OD1 2.91Å
61Q83Confident75.5Confident65 Ų6570.5 Ų70.530%0.30440%0.395SS..EExtended strand (participates in β ladder)trans-102.8100.9170.1-62.1179.7-12.700108.1D9 K10 Y44 I58 F63D9-Q61 PolarHBondContact OD1-NE2 2.89Å; D9-Q61 PolarHBondContact OD2-NE2 3.04Å; K10-Q61 PolarHBondContact O-NE2 3.32Å; Y44-Q61 HydrophobicContact CE2-CB 4.27Å; Y44-Q61 HydrophobicContact CE2-CG 4.16Å; I58-Q61 HydrophobicContact CG2-CG 4.36Å; Q61-F63 HydrophobicContact CB-CE2 3.68Å; Q61-F63 HydrophobicContact CB-CZ 3.94Å
62D85.8Confident76.9Confident54 Ų5469.7 Ų69.729%0.28939%0.389SS..EExtended strand (participates in β ladder)trans-96.8133.2175.5-58.6-3.1000108.9N45 K47 S60N45-D62 PolarHBondContact N-O 3.15Å; N45-D62 WeakPolarHBondContact O-CB 3.44Å; K47-D62 VanDerWaalsContact CE-OD2 3.29Å; K47-D62 WeakPolarHBondContact CE-OD2 3.44Å; K47-D62 IonicContact NZ-OD2 3.26Å; K47-D62 PolarHBondContact NZ-OD2 3.43Å; S60-D62 PolarHBondContact OG-OD1 2.91Å
63F87.8Confident78.4Confident56 Ų5665.2 Ų65.225%0.24636%0.357CS..EExtended strand (participates in β ladder)trans-121.1122.5-179.1-60.5-83.1000110.3I11 F13 F34 Y42 I43 Y44 Q61I11-F63 HydrophobicContact CB-CE1 4.14Å; I11-F63 HydrophobicContact CB-CZ 3.99Å; I11-F63 HydrophobicContact CG2-CE1 3.89Å; I11-F63 HydrophobicContact CG2-CZ 3.86Å; F13-F63 HydrophobicContact CD2-CD1 4.27Å; F13-F63 AromaticContact CD2-CE1 3.97Å; F13-F63 HydrophobicContact CD2-CE1 3.97Å; F13-F63 HydrophobicContact CD2-CZ 4.16Å; F13-F63 AromaticContact CE2-CD1 3.89Å; F13-F63 HydrophobicContact CE2-CD1 3.89Å; F13-F63 AromaticContact CE2-CD2 3.97Å; F13-F63 HydrophobicContact CE2-CD2 3.97Å; F13-F63 AromaticContact CE2-CE1 3.89Å; F13-F63 HydrophobicContact CE2-CE1 3.89Å; F13-F63 AromaticContact CE2-CE2 3.98Å; F13-F63 HydrophobicContact CE2-CE2 3.98Å; F13-F63 AromaticContact CE2-CG 3.92Å; F13-F63 HydrophobicContact CE2-CG 3.92Å; F13-F63 AromaticContact CE2-CZ 3.94Å; F13-F63 HydrophobicContact CE2-CZ 3.94Å; F34-F63 HydrophobicContact CZ-CD1 4.36Å; F34-F63 HydrophobicContact CZ-CE1 4.25Å; Y42-F63 HydrophobicContact CD1-CB 3.96Å; I43-F63 WeakPolarHBondContact O-CA 3.43Å; Y44-F63 HydrophobicContact CD2-CD1 4.22Å; Y44-F63 AromaticContact CD2-CE1 3.61Å; Y44-F63 HydrophobicContact CD2-CE1 3.61Å; Y44-F63 HydrophobicContact CD2-CZ 4.09Å; Y44-F63 HydrophobicContact CE2-CE1 4.41Å; Y44-F63 HydrophobicContact CE2-CZ 4.48Å; Y44-F63 HydrophobicContact CG-CE1 4.42Å; Q61-F63 HydrophobicContact CB-CE2 3.68Å; Q61-F63 HydrophobicContact CB-CZ 3.94Å
64I87.4Confident80.1Confident63 Ų6357.6 Ų57.632%0.32332%0.323SS..EExtended strand (participates in β ladder)trans-96.1113.8172.3-53.5169.8000107.2T26 Y42 I43 C66T26-I64 HydrophobicContact CG2-CD1 4.22Å; Y42-I64 CarbonylContact C-O 3.45Å; Y42-I64 WeakPolarHBondContact CA-O 3.32Å; I43-I64 HydrophobicContact CB-CB 4.19Å; I43-I64 PolarHBondContact N-O 2.68Å; I43-I64 PolarHBondContact O-N 3.08Å; I64-C66 PolarHBondContact O-N 2.64Å
65K87.8Confident81.6Confident121 Ų12155.1 Ų55.153%0.52629%0.294SS..EExtended strand (participates in β ladder)trans-77.2120.7174.8-175.1-178.7177-178.20109.2Y42Y42-K65 HydrophobicContact CD1-CB 4.03Å; Y42-K65 HydrophobicContact CD1-CG 4.46Å; Y42-K65 HydrophobicContact CE1-CB 3.66Å; Y42-K65 HydrophobicContact CE1-CD 4.42Å; Y42-K65 HydrophobicContact CE1-CG 3.93Å
66C81.3Confident83Confident1 Ų154.2 Ų54.21%0.00729%0.285CS..EExtended strand (participates in β ladder)trans-104.2134.7179.9-57.70000111V41 I43 I64 L90 Y101V41-C66 HydrophobicContact CB-CB 4.06Å; V41-C66 HydrophobicContact CG1-CB 4.17Å; V41-C66 PolarHBondContact O-N 2.95Å; I43-C66 WeakPolarHBondContact CD1-SG 3.28Å; I64-C66 PolarHBondContact O-N 2.64Å; C66-L90 HydrophobicContact CB-CD2 4.21Å; C66-Y101 HydrophobicContact CB-CD1 4.24Å; C66-Y101 HydrophobicContact CB-CE1 3.87Å
67S70.1Confident84.2Confident33 Ų3354 Ų5423%0.23128%0.283CS..  trans48.1173.2170.4-1650000116.7L99S67-L99 WeakPolarHBondContact OG-CD2 3.43Å
68S72.1Confident85.1Confident91 Ų9147.3 Ų47.364%0.63626%0.255SS*.  trans-124.426.7178.248.30000112.5H70S68-H70 PolarHBondContact O-CE1 3.05Å; S68-H70 PolarHBondContact O-ND1 3.05Å; S68-H70 VanDerWaalsContact O-ND1 3.08Å
69I79.5Confident85.7Confident26 Ų2648.6 Ų48.613%0.13326%0.259CS..  trans-66.3149.5170.5-65171.9000109.7I72 I92 L99 W111I69-I72 HydrophobicContact CG2-CG1 4.13Å; I69-I92 HydrophobicContact CD1-CG2 4.23Å; I69-I92 HydrophobicContact CG2-CG2 4.44Å; I69-L99 HydrophobicContact CD1-CB 3.39Å; I69-L99 HydrophobicContact CD1-CD2 3.29Å; I69-L99 HydrophobicContact CD1-CG 3.9Å; I69-L99 HydrophobicContact CG1-CD2 4.31Å; I69-W111 HydrophobicContact CD1-CE3 4.23Å; I69-W111 HydrophobicContact CD1-CZ3 3.8Å; I69-W111 HydrophobicContact CG1-CZ3 4.41Å
70H81.2Confident86.2Confident106 Ų10642.9 Ų42.949%0.49123%0.229SC..  trans-123.5164.9177.3-59.187.7000109.5K40 S68 I72K40-H70 PolarHBondContact NZ-NE2 3.11Å; S68-H70 PolarHBondContact O-CE1 3.05Å; S68-H70 PolarHBondContact O-ND1 3.05Å; S68-H70 VanDerWaalsContact O-ND1 3.08Å; H70-I72 PolarHBondContact O-N 3.44Å
71S86.4Confident86.2Confident34 Ų3445.1 Ų45.124%0.23824%0.235CC..SBendtrans56.649.9179.5-55.10000112.2D39 S94 K95D39-S71 WeakPolarHBondContact OD2-CA 3.28Å; D39-S71 PolarHBondContact OD2-N 3.25Å; S71-S94 VanDerWaalsContact O-CA 3.3Å; S71-S94 WeakPolarHBondContact O-CA 3.29Å; S71-K95 PolarHBondContact O-N 2.81Å; S71-K95 VanDerWaalsContact O-N 3.11Å
72I92Very high86Confident10 Ų1047.3 Ų47.35%0.05125%0.246CC..EExtended strand (participates in β ladder)trans-73.8129.7-179.4-59.3164.6000108.4L19 V35 V41 I69 H70 I92L19-I72 HydrophobicContact CD1-CG2 4.4Å; V35-I72 HydrophobicContact CG1-CB 4.2Å; V35-I72 HydrophobicContact CG1-CD1 3.83Å; V35-I72 HydrophobicContact CG1-CG2 4.45Å; V35-I72 HydrophobicContact CG2-CD1 4.34Å; V35-I72 HydrophobicContact CG2-CG2 3.89Å; V41-I72 HydrophobicContact CG2-CD1 3.41Å; V41-I72 VanDerWaalsContact CG2-CD1 3.41Å; I69-I72 HydrophobicContact CG2-CG1 4.13Å; H70-I72 PolarHBondContact O-N 3.44Å; I72-I92 HydrophobicContact CD1-CG2 4.28Å; I72-I92 HydrophobicContact CG1-CG2 4.05Å; I72-I92 HydrophobicContact CG2-CG2 4.03Å
73C91.9Very high85.7Confident38 Ų3847.8 Ų47.826%0.25725%0.247SC..EExtended strand (participates in β ladder)trans-119.2-20.9-176.4-66.70000112.9L19 G93 K95 V119L19-C73 VanDerWaalsContact CD2-C 3.48Å; L19-C73 WeakPolarHBondContact CD2-O 3.38Å; C73-G93 PolarHBondContact N-O 3.22Å; C73-K95 WeakPolarHBondContact SG-CG 3.44Å; C73-V119 WeakPolarHBondContact CB-O 3.5Å
74A93.9Very high85.4Confident8 Ų846.2 Ų46.27%0.06624%0.243CC..EExtended strand (participates in β ladder)trans-150.5149.6175.900000110.5G93 V119 I122A74-G93 PolarHBondContact N-O 2.81Å; A74-G93 PolarHBondContact O-N 3.24Å; A74-V119 HydrophobicContact CB-CG1 4.2Å; A74-I122 HydrophobicContact CB-CB 4.12Å; A74-I122 HydrophobicContact CB-CD1 3.88Å; A74-I122 HydrophobicContact CB-CG1 3.81Å
75I94.6Very high84.9Confident13 Ų1349.1 Ų49.17%0.06726%0.259CS..EExtended strand (participates in β ladder)trans-139.7140.7172.7-158.6175.6000109.3L19 C21 V35 V41 L90 I91 I92L19-I75 HydrophobicContact CB-CG2 4.49Å; C21-I75 HydrophobicContact CB-CG2 4.07Å; V35-I75 HydrophobicContact CG2-CD1 4.13Å; V41-I75 HydrophobicContact CG1-CD1 3.65Å; I75-L90 HydrophobicContact CD1-CD1 3.83Å; I75-L90 HydrophobicContact CD1-CG 4.43Å; I75-L90 HydrophobicContact CG1-CD1 3.91Å; I75-I91 WeakPolarHBondContact CA-O 3.34Å; I75-I91 WeakPolarHBondContact CG1-O 3.47Å; I75-I92 HydrophobicContact CG1-CG1 4.36Å
76H94.7Very high84.6Confident53 Ų5349.5 Ų49.525%0.24526%0.258CS..EExtended strand (participates in β ladder)trans-148.5164.9176.9-149.8-71.7000109.6I91 I122H76-I91 HydrophobicContact CB-CB 4.38Å; H76-I91 PolarHBondContact N-O 2.96Å; H76-I91 PolarHBondContact O-N 3.29Å; H76-I122 HydrophobicContact CB-CG2 4.09Å
77T93.5Very high84.9Confident18 Ų1850.4 Ų50.411%0.1126%0.262CS..EExtended strand (participates in β ladder)trans-116.3147.6170.750.60000109.5C21 F22 L25 L89 L90 Y124C21-T77 HydrophobicContact CB-CG2 4.13Å; F22-T77 PolarHBondContact O-OG1 3.05Å; L25-T77 HydrophobicContact CD1-CG2 4.06Å; L25-T77 HydrophobicContact CD2-CG2 3.96Å; L25-T77 HydrophobicContact CG-CG2 4.19Å; T77-L89 WeakPolarHBondContact CA-O 3.47Å; T77-L90 HydrophobicContact CG2-CD1 4.23Å; T77-Y124 WeakPolarHBondContact O-CD1 3.5Å
78G90.8Very high85.9Confident2 Ų249.6 Ų49.62%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-153.2141.5178.300000112.8F80 L89G78-F80 WeakPolarHBondContact O-CD2 3.26Å; G78-F80 PolarHBondContact O-N 2.9Å; G78-L89 PolarHBondContact N-O 3.3Å; G78-L89 PolarHBondContact O-N 3.05Å
79K89.8Confident86.9Confident72 Ų7245.3 Ų45.331%0.31323%0.225SC..  trans-96.989.5-179.5-170.6-163.6172.6-160.40110E81 N85 D88 Y124K79-E81 IonicContact NZ-OE1 3.11Å; K79-E81 PolarHBondContact O-N 3.34Å; K79-E81 VanDerWaalsContact O-N 3.14Å; K79-N85 VanDerWaalsContact CE-C 3.44Å; K79-N85 WeakPolarHBondContact CE-O 3.34Å; K79-N85 PolarHBondContact NZ-O 3.23Å; K79-N85 VanDerWaalsContact NZ-O 3.13Å; K79-D88 WeakPolarHBondContact CB-OD1 3.36Å; K79-Y124 VanDerWaalsContact C-OH 3.28Å; K79-Y124 PolarHBondContact N-OH 2.84Å; K79-Y124 PolarHBondContact O-OH 2.87Å
80F85.7Confident87.5Confident0 Ų044 Ų440%022%0.219CC..  trans-78.8101.2179.3-61.5-90.1000110G78 H82 I83 S84 L89 I91 I100 Y124 D138 I140G78-F80 WeakPolarHBondContact O-CD2 3.26Å; G78-F80 PolarHBondContact O-N 2.9Å; F80-H82 PolarHBondContact O-N 2.99Å; F80-H82 VanDerWaalsContact O-N 3.16Å; F80-I83 HydrophobicContact CB-CB 4.25Å; F80-I83 HydrophobicContact CB-CD1 3.92Å; F80-I83 HydrophobicContact CB-CG1 4.13Å; F80-I83 HydrophobicContact CG-CD1 4.38Å; F80-I83 PolarHBondContact O-N 3.38Å; F80-S84 PolarHBondContact O-N 3.31Å; F80-L89 HydrophobicContact CB-CD1 4.16Å; F80-L89 HydrophobicContact CD2-CB 3.92Å; F80-L89 HydrophobicContact CD2-CD1 3.51Å; F80-L89 HydrophobicContact CD2-CG 3.94Å; F80-L89 HydrophobicContact CE2-CB 4.09Å; F80-L89 HydrophobicContact CE2-CD1 4.28Å; F80-L89 HydrophobicContact CG-CD1 4.13Å; F80-I91 HydrophobicContact CE2-CD1 3.95Å; F80-I91 HydrophobicContact CE2-CG1 4.18Å; F80-I91 HydrophobicContact CZ-CD1 3.75Å; F80-I91 HydrophobicContact CZ-CG1 4.29Å; F80-I100 HydrophobicContact CE1-CD1 4.25Å; F80-I100 HydrophobicContact CE2-CD1 4.15Å; F80-I100 HydrophobicContact CE2-CG2 4.4Å; F80-I100 HydrophobicContact CZ-CD1 3.77Å; F80-Y124 HydrophobicContact CD1-CE2 4.23Å; F80-Y124 HydrophobicContact CE1-CD2 4.02Å; F80-Y124 AromaticContact CE1-CE2 3.84Å; F80-Y124 HydrophobicContact CE1-CE2 3.84Å; F80-Y124 HydrophobicContact CE2-CD2 4.34Å; F80-Y124 HydrophobicContact CE2-CE2 4.29Å; F80-Y124 AromaticContact CZ-CD2 3.75Å; F80-Y124 HydrophobicContact CZ-CD2 3.75Å; F80-Y124 AromaticContact CZ-CE2 3.88Å; F80-Y124 HydrophobicContact CZ-CE2 3.88Å; F80-D138 WeakPolarHBondContact CA-OD2 3.49Å; F80-D138 HydrophobicContact CD1-CB 3.81Å; F80-D138 HydrophobicContact CE1-CB 4.26Å; F80-I140 HydrophobicContact CE1-CD1 3.83Å; F80-I140 HydrophobicContact CE1-CG1 3.91Å; F80-I140 HydrophobicContact CZ-CD1 3.54Å; F80-I140 HydrophobicContact CZ-CG1 3.78Å
81E81.1Confident88.2Confident83 Ų8339 Ų3939%0.38820%0.195SC..THydrogen-bonded Turntrans-62.2-29-172.8-61.7-163.4138.600112.3K79 I83 N85 H126 D138K79-E81 IonicContact NZ-OE1 3.11Å; K79-E81 PolarHBondContact O-N 3.34Å; K79-E81 VanDerWaalsContact O-N 3.14Å; E81-I83 PolarHBondContact O-N 2.9Å; E81-N85 PolarHBondContact O-OD1 2.99Å; E81-N85 VanDerWaalsContact O-OD1 3.12Å; E81-H126 VanDerWaalsContact CD-CE1 3.48Å; E81-H126 IonicContact OE1-CE1 2.9Å; E81-H126 IonicContact OE2-CE1 3.89Å; E81-H126 PolarHBondContact OE2-CE1 3.47Å; E81-H126 IonicContact OE2-NE2 3.12Å; E81-D138 PolarHBondContact N-OD2 2.66Å
82H78.2Confident88.5Confident112 Ų11237.4 Ų37.452%0.51918%0.184SC..THydrogen-bonded Turntrans-66.2-21.3173.8-77.3-69.3000114.5F80 Y153F80-H82 PolarHBondContact O-N 2.99Å; F80-H82 VanDerWaalsContact O-N 3.16Å; H82-Y153 HydrophobicContact CB-CD1 4.1Å; H82-Y153 HydrophobicContact CB-CD2 4.24Å; H82-Y153 HydrophobicContact CB-CE1 3.97Å; H82-Y153 HydrophobicContact CB-CE2 4.12Å; H82-Y153 HydrophobicContact CB-CG 4.24Å; H82-Y153 AromaticContact CD2-CD1 3.82Å; H82-Y153 AromaticContact CD2-CE1 3.41Å; H82-Y153 VanDerWaalsContact CD2-CE1 3.41Å; H82-Y153 WeakPolarHBondContact CD2-CE1 3.35Å; H82-Y153 AromaticContact CG-CE1 3.67Å; H82-Y153 AromaticContact CG-CZ 3.87Å
83I80.7Confident88.6Confident64 Ų6436.9 Ų36.933%0.32818%0.182SC..THydrogen-bonded Turntrans-106.5-48.5-176.9-56.3173.7000110.3F80 E81 L89 I109F80-I83 HydrophobicContact CB-CB 4.25Å; F80-I83 HydrophobicContact CB-CD1 3.92Å; F80-I83 HydrophobicContact CB-CG1 4.13Å; F80-I83 HydrophobicContact CG-CD1 4.38Å; F80-I83 PolarHBondContact O-N 3.38Å; E81-I83 PolarHBondContact O-N 2.9Å; I83-L89 HydrophobicContact CB-CD1 4.23Å; I83-L89 HydrophobicContact CD1-CD1 3.64Å; I83-L89 HydrophobicContact CG2-CD1 4.09Å; I83-I109 HydrophobicContact CD1-CG2 3.83Å; I83-I109 HydrophobicContact CG2-CD1 4.21Å
84S79.6Confident88.5Confident22 Ų2235.1 Ų35.115%0.15417%0.169CC..  trans-146.2125.3-176.7-174.90000111.2F80 R86 N87F80-S84 PolarHBondContact O-N 3.31Å; S84-R86 PolarHBondContact O-N 3.39Å; S84-R86 PolarHBondContact OG-N 2.93Å; S84-N87 PolarHBondContact OG-N 3.15Å; S84-N87 VanDerWaalsContact OG-N 3.08Å
85N77.2Confident88.1Confident124 Ų12439.9 Ų39.966%0.66319%0.189SC*.SBendtrans-77.5-10.3176.5-74.9-9.5000113.4K79 E81K79-N85 VanDerWaalsContact CE-C 3.44Å; K79-N85 WeakPolarHBondContact CE-O 3.34Å; K79-N85 PolarHBondContact NZ-O 3.23Å; K79-N85 VanDerWaalsContact NZ-O 3.13Å; E81-N85 PolarHBondContact O-OD1 2.99Å; E81-N85 VanDerWaalsContact O-OD1 3.12Å
86R82Confident87.4Confident130 Ų13043.5 Ų43.549%0.49120%0.202SC..SBendtrans-126.4-39.6-169.4-174.6174.1164.9149-5.1114.1R24 S27 D28 S84R24-R86 VanDerWaalsContact CD-O 3.29Å; R24-R86 WeakPolarHBondContact CD-O 3.3Å; S27-R86 PolarHBondContact O-NE 2.77Å; S27-R86 VanDerWaalsContact O-NE 3.12Å; S27-R86 PolarHBondContact O-NH2 3.44Å; D28-R86 IonicContact OD1-NH2 3.76Å; D28-R86 PolarHBondContact OD1-NH2 2.61Å; D28-R86 VanDerWaalsContact OD1-NH2 3.16Å; S84-R86 PolarHBondContact O-N 3.39Å; S84-R86 PolarHBondContact OG-N 2.93Å
87N87.7Confident87.1Confident20 Ų2041 Ų4111%0.10719%0.19CC..PPolyproline II helixtrans-101.9144.5-172.3-57.1-20.1000110.4S84 V104S84-N87 PolarHBondContact OG-N 3.15Å; S84-N87 VanDerWaalsContact OG-N 3.08Å; N87-V104 HydrophobicContact CB-CG2 4.4Å
88D91.4Very high87Confident16 Ų1640.1 Ų40.19%0.08619%0.185CC..PPolyproline II helixtrans-82.6147.3171-60.9-19.5000109G23 R24 L25 K79G23-D88 WeakPolarHBondContact CA-OD2 3.37Å; R24-D88 PolarHBondContact N-OD2 3.47Å; R24-D88 PolarHBondContact O-N 3.42Å; L25-D88 HydrophobicContact CD2-CB 4.24Å; L25-D88 WeakPolarHBondContact CD2-O 3.48Å; K79-D88 WeakPolarHBondContact CB-OD1 3.36Å
89L92.3Very high87.1Confident0 Ų040.1 Ų40.10%019%0.185CC..EExtended strand (participates in β ladder)trans-98.9147.4172.4-55.8-179.7000109.6T77 G78 F80 I83 I100 D102 I109T77-L89 WeakPolarHBondContact CA-O 3.47Å; G78-L89 PolarHBondContact N-O 3.3Å; G78-L89 PolarHBondContact O-N 3.05Å; F80-L89 HydrophobicContact CB-CD1 4.16Å; F80-L89 HydrophobicContact CD2-CB 3.92Å; F80-L89 HydrophobicContact CD2-CD1 3.51Å; F80-L89 HydrophobicContact CD2-CG 3.94Å; F80-L89 HydrophobicContact CE2-CB 4.09Å; F80-L89 HydrophobicContact CE2-CD1 4.28Å; F80-L89 HydrophobicContact CG-CD1 4.13Å; I83-L89 HydrophobicContact CB-CD1 4.23Å; I83-L89 HydrophobicContact CD1-CD1 3.64Å; I83-L89 HydrophobicContact CG2-CD1 4.09Å; L89-I100 HydrophobicContact CB-CG2 3.73Å; L89-I100 HydrophobicContact CD1-CG2 3.79Å; L89-I100 HydrophobicContact CG-CG2 4.38Å; L89-D102 HydrophobicContact CD2-CB 3.69Å; L89-I109 HydrophobicContact CD1-CG1 4.13Å
90L93.5Very high87.2Confident0 Ų036.7 Ų36.70%017%0.17CC..EExtended strand (participates in β ladder)trans-89.7121.8178.6-17162.4000109.9L25 A33 V41 C66 I75 T77 I92 I100 Y101L25-L90 HydrophobicContact CD1-CD1 3.96Å; L25-L90 HydrophobicContact CD2-CB 4.06Å; L25-L90 HydrophobicContact CD2-CD1 4.46Å; A33-L90 HydrophobicContact CB-CD1 4.07Å; V41-L90 HydrophobicContact CG1-CD2 3.9Å; C66-L90 HydrophobicContact CB-CD2 4.21Å; I75-L90 HydrophobicContact CD1-CD1 3.83Å; I75-L90 HydrophobicContact CD1-CG 4.43Å; I75-L90 HydrophobicContact CG1-CD1 3.91Å; T77-L90 HydrophobicContact CG2-CD1 4.23Å; L90-I92 HydrophobicContact CD2-CD1 4.03Å; L90-I92 HydrophobicContact CD2-CG1 4.29Å; L90-I92 HydrophobicContact CG-CD1 4.28Å; L90-I92 HydrophobicContact CG-CG1 4.04Å; L90-I100 WeakPolarHBondContact O-CA 3.49Å; L90-Y101 HydrophobicContact CB-CD1 4.4Å; L90-Y101 HydrophobicContact CD2-CD1 4.31Å; L90-Y101 PolarHBondContact N-O 3.34Å; L90-Y101 PolarHBondContact O-N 2.81Å
91I94.6Very high87.5Confident0 Ų037.1 Ų37.10%017%0.171CC..EExtended strand (participates in β ladder)trans-104.3118.9179.4-50170.6000107.8I75 H76 F80 I98 L99 I100 I122 Y124 I140I75-I91 WeakPolarHBondContact CA-O 3.34Å; I75-I91 WeakPolarHBondContact CG1-O 3.47Å; H76-I91 HydrophobicContact CB-CB 4.38Å; H76-I91 PolarHBondContact N-O 2.96Å; H76-I91 PolarHBondContact O-N 3.29Å; F80-I91 HydrophobicContact CE2-CD1 3.95Å; F80-I91 HydrophobicContact CE2-CG1 4.18Å; F80-I91 HydrophobicContact CZ-CD1 3.75Å; F80-I91 HydrophobicContact CZ-CG1 4.29Å; I91-I98 HydrophobicContact CG2-CD1 3.61Å; I91-I98 HydrophobicContact CG2-CG1 3.88Å; I91-L99 CarbonylContact C-O 3.59Å; I91-L99 WeakPolarHBondContact CA-O 3.35Å; I91-I100 HydrophobicContact CG1-CG1 4.45Å; I91-I122 HydrophobicContact CG2-CD1 4.09Å; I91-I122 HydrophobicContact CG2-CG2 4.17Å; I91-Y124 HydrophobicContact CD1-CD2 4.26Å; I91-Y124 HydrophobicContact CD1-CG 4.23Å; I91-I140 HydrophobicContact CD1-CD1 4.15Å; I91-I140 HydrophobicContact CD1-CG1 4.22Å; I91-I140 HydrophobicContact CG2-CG2 4.39Å
92I94.2Very high87.9Confident0 Ų033.5 Ų33.50%016%0.155CC..EExtended strand (participates in β ladder)trans-117.7115.3-176.8-58166.9000108.7V41 I69 I72 I75 L90 I98 L99V41-I92 HydrophobicContact CG2-CD1 4Å; V41-I92 HydrophobicContact CG2-CG1 4.5Å; I69-I92 HydrophobicContact CD1-CG2 4.23Å; I69-I92 HydrophobicContact CG2-CG2 4.44Å; I72-I92 HydrophobicContact CD1-CG2 4.28Å; I72-I92 HydrophobicContact CG1-CG2 4.05Å; I72-I92 HydrophobicContact CG2-CG2 4.03Å; I75-I92 HydrophobicContact CG1-CG1 4.36Å; L90-I92 HydrophobicContact CD2-CD1 4.03Å; L90-I92 HydrophobicContact CD2-CG1 4.29Å; L90-I92 HydrophobicContact CG-CD1 4.28Å; L90-I92 HydrophobicContact CG-CG1 4.04Å; I92-I98 WeakPolarHBondContact O-CA 3.48Å; I92-L99 HydrophobicContact CB-CB 4.35Å; I92-L99 HydrophobicContact CD1-CD2 4.34Å; I92-L99 PolarHBondContact N-O 2.77Å; I92-L99 PolarHBondContact O-N 2.77Å
93G93.1Very high88.4Confident0 Ų028.7 Ų28.70%013%0.134CC..EExtended strand (participates in β ladder)trans-95.3125.517300000111.3C73 A74 I122C73-G93 PolarHBondContact N-O 3.22Å; A74-G93 PolarHBondContact N-O 2.81Å; A74-G93 PolarHBondContact O-N 3.24Å; G93-I122 VanDerWaalsContact CA-CD1 3.44Å
94S90.4Very high88.7Confident0 Ų028.4 Ų28.40%014%0.135CC..EExtended strand (participates in β ladder)trans-114.7167.1171.371.70000110.6S71 Y96 G97 W111 V119S71-S94 VanDerWaalsContact O-CA 3.3Å; S71-S94 WeakPolarHBondContact O-CA 3.29Å; S94-Y96 PolarHBondContact O-N 3.47Å; S94-Y96 PolarHBondContact OG-N 2.84Å; S94-G97 PolarHBondContact N-O 3.48Å; S94-G97 PolarHBondContact O-N 2.93Å; S94-G97 PolarHBondContact OG-N 3.17Å; S94-G97 PolarHBondContact OG-O 3.23Å; S94-W111 WeakPolarHBondContact OG-CH2 3.34Å; S94-V119 VanDerWaalsContact O-CB 3.28Å; S94-V119 WeakPolarHBondContact O-CB 3.21Å; S94-V119 WeakPolarHBondContact O-CG2 3.06Å; S94-V119 PolarHBondContact O-N 3.01Å
95K84.1Confident89.1Confident109 Ų10932.6 Ų32.647%0.47416%0.156SC..THydrogen-bonded Turntrans-53.4-19171.3-66.7-169.3177.3-178.50114.6S71 C73 G118S71-K95 PolarHBondContact O-N 2.81Å; S71-K95 VanDerWaalsContact O-N 3.11Å; C73-K95 WeakPolarHBondContact SG-CG 3.44Å; K95-G118 WeakPolarHBondContact O-CA 3.29Å
96Y81Confident89.6Confident88 Ų8832.3 Ų32.335%0.34515%0.154SC..THydrogen-bonded Turntrans-107.5-15.7-174.2-51.9-64.6000114.1S94 L114S94-Y96 PolarHBondContact O-N 3.47Å; S94-Y96 PolarHBondContact OG-N 2.84Å; Y96-L114 PolarHBondContact O-N 2.94Å
97G88.3Confident90Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans163.1-178.9-167.800000113.3S94 K112S94-G97 PolarHBondContact N-O 3.48Å; S94-G97 PolarHBondContact O-N 2.93Å; S94-G97 PolarHBondContact OG-N 3.17Å; S94-G97 PolarHBondContact OG-O 3.23Å; G97-K112 CarbonylContact C-O 3.54Å; G97-K112 WeakPolarHBondContact CA-O 3.09Å
98I92.1Very high90Very high0 Ų033.1 Ų33.10%017%0.171CC..EExtended strand (participates in β ladder)trans-121.9136.5-174.5-169168.6000110.7I91 I92 F110 K112 L114 I122 I140 I142 L151I91-I98 HydrophobicContact CG2-CD1 3.61Å; I91-I98 HydrophobicContact CG2-CG1 3.88Å; I92-I98 WeakPolarHBondContact O-CA 3.48Å; I98-F110 HydrophobicContact CG2-CE2 4.19Å; I98-K112 HydrophobicContact CG2-CB 4.04Å; I98-K112 PolarHBondContact N-O 2.94Å; I98-K112 PolarHBondContact O-N 3.04Å; I98-L114 HydrophobicContact CG2-CD1 4.48Å; I98-I122 HydrophobicContact CD1-CD1 3.74Å; I98-I122 HydrophobicContact CD1-CG1 4.29Å; I98-I122 HydrophobicContact CG1-CD1 4.15Å; I98-I140 HydrophobicContact CD1-CG2 3.79Å; I98-I142 HydrophobicContact CB-CD1 4.28Å; I98-I142 HydrophobicContact CD1-CD1 3.52Å; I98-I142 HydrophobicContact CD1-CG1 3.96Å; I98-I142 HydrophobicContact CG2-CD1 3.95Å; I98-L151 HydrophobicContact CG2-CD1 3.94Å
99L92.3Very high89.9Confident3 Ų335.1 Ų35.12%0.01618%0.181CC..EExtended strand (participates in β ladder)trans-113.6135.2172.7177.463.9000109.3S67 I69 I91 I92 D108 F110 W111S67-L99 WeakPolarHBondContact OG-CD2 3.43Å; I69-L99 HydrophobicContact CD1-CB 3.39Å; I69-L99 HydrophobicContact CD1-CD2 3.29Å; I69-L99 HydrophobicContact CD1-CG 3.9Å; I69-L99 HydrophobicContact CG1-CD2 4.31Å; I91-L99 CarbonylContact C-O 3.59Å; I91-L99 WeakPolarHBondContact CA-O 3.35Å; I92-L99 HydrophobicContact CB-CB 4.35Å; I92-L99 HydrophobicContact CD1-CD2 4.34Å; I92-L99 PolarHBondContact N-O 2.77Å; I92-L99 PolarHBondContact O-N 2.77Å; L99-D108 HydrophobicContact CD1-CB 3.81Å; L99-F110 WeakPolarHBondContact CD1-O 3.34Å; L99-W111 HydrophobicContact CB-CE3 3.89Å; L99-W111 HydrophobicContact CB-CZ3 4.25Å; L99-W111 HydrophobicContact CD1-CB 4.43Å
100I92.5Very high89.8Confident0 Ų036.3 Ų36.30%019%0.186CC..EExtended strand (participates in β ladder)trans-105.6125159-56.6-172.2000108.2F80 L89 L90 I91 I109 F110 I140F80-I100 HydrophobicContact CE1-CD1 4.25Å; F80-I100 HydrophobicContact CE2-CD1 4.15Å; F80-I100 HydrophobicContact CE2-CG2 4.4Å; F80-I100 HydrophobicContact CZ-CD1 3.77Å; L89-I100 HydrophobicContact CB-CG2 3.73Å; L89-I100 HydrophobicContact CD1-CG2 3.79Å; L89-I100 HydrophobicContact CG-CG2 4.38Å; L90-I100 WeakPolarHBondContact O-CA 3.49Å; I91-I100 HydrophobicContact CG1-CG1 4.45Å; I100-I109 HydrophobicContact CB-CB 4.14Å; I100-I109 HydrophobicContact CG2-CB 4.07Å; I100-I109 HydrophobicContact CG2-CG1 4.04Å; I100-I109 PolarHBondContact O-N 3.02Å; I100-F110 HydrophobicContact CB-CD1 4.41Å; I100-F110 HydrophobicContact CB-CE1 4.27Å; I100-F110 HydrophobicContact CD1-CD1 4.02Å; I100-F110 HydrophobicContact CD1-CE1 3.13Å; I100-F110 HydrophobicContact CD1-CE2 4.37Å; I100-F110 HydrophobicContact CD1-CZ 3.35Å; I100-F110 HydrophobicContact CG1-CD1 4.27Å; I100-F110 HydrophobicContact CG1-CE1 3.68Å; I100-F110 HydrophobicContact CG1-CE2 4.19Å; I100-F110 HydrophobicContact CG1-CZ 3.62Å; I100-F110 PolarHBondContact N-O 3.37Å; I100-F110 VanDerWaalsContact N-O 3.1Å; I100-I140 HydrophobicContact CD1-CD1 3.35Å; I100-I140 HydrophobicContact CG1-CD1 4.15Å
101Y91.1Very high89.6Confident8 Ų842 Ų423%0.03121%0.208CC..EExtended strand (participates in β ladder)trans-123.2127.6-175.5176-109.7000110.5C66 L90 S103 N106 V107 D108C66-Y101 HydrophobicContact CB-CD1 4.24Å; C66-Y101 HydrophobicContact CB-CE1 3.87Å; L90-Y101 HydrophobicContact CB-CD1 4.4Å; L90-Y101 HydrophobicContact CD2-CD1 4.31Å; L90-Y101 PolarHBondContact N-O 3.34Å; L90-Y101 PolarHBondContact O-N 2.81Å; Y101-S103 VanDerWaalsContact CE1-CA 3.45Å; Y101-N106 PolarHBondContact OH-OD1 3.01Å; Y101-V107 WeakPolarHBondContact CD2-O 3.35Å; Y101-D108 VanDerWaalsContact CD2-OD1 3.24Å; Y101-D108 WeakPolarHBondContact CD2-OD1 3.5Å
102D90.5Very high89.4Confident7 Ų743.6 Ų43.64%0.03722%0.215CC..EExtended strand (participates in β ladder)trans-88.2105.2168.3-174.6-20.4000108.9L89 V104 N105 N106 V107 I109L89-D102 HydrophobicContact CD2-CB 3.69Å; D102-V104 VanDerWaalsContact C-N 3.31Å; D102-V104 PolarHBondContact O-N 3.08Å; D102-V104 WeakPolarHBondContact OD1-CB 2.9Å; D102-V104 PolarHBondContact OD1-N 2.75Å; D102-N105 HydrophobicContact CB-CB 4.47Å; D102-N105 PolarHBondContact OD1-N 3.35Å; D102-N105 VanDerWaalsContact OD1-N 3.08Å; D102-N105 PolarHBondContact OD2-ND2 3.04Å; D102-N106 WeakPolarHBondContact O-CA 3.46Å; D102-N106 PolarHBondContact O-N 3.23Å; D102-V107 PolarHBondContact N-O 2.85Å; D102-V107 PolarHBondContact O-N 2.82Å; D102-V107 VanDerWaalsContact O-N 3.08Å; D102-I109 HydrophobicContact CB-CD1 4.16Å; D102-I109 HydrophobicContact CB-CG1 4.42Å
103S88.2Confident88.9Confident12 Ų1248 Ų488%0.08424%0.235CC..THydrogen-bonded Turntrans-71.7-22.3179.850.10000114.2L25 I43 Y101L25-S103 WeakPolarHBondContact CB-OG 3.36Å; L25-S103 PolarHBondContact O-OG 3.14Å; I43-S103 VanDerWaalsContact CD1-CB 3.45Å; Y101-S103 VanDerWaalsContact CE1-CA 3.45Å
104V87.4Confident88.4Confident58 Ų5848.6 Ų48.635%0.35224%0.238SC..THydrogen-bonded Turntrans-79.1-45.4-179.3179.40000109.8L25 N87 D102L25-V104 VanDerWaalsContact O-CG2 3.3Å; L25-V104 WeakPolarHBondContact O-CG2 3.47Å; N87-V104 HydrophobicContact CB-CG2 4.4Å; D102-V104 VanDerWaalsContact C-N 3.31Å; D102-V104 PolarHBondContact O-N 3.08Å; D102-V104 WeakPolarHBondContact OD1-CB 2.9Å; D102-V104 PolarHBondContact OD1-N 2.75Å
105N87.4Confident87.2Confident110 Ų11054.8 Ų54.859%0.58827%0.265SS*.THydrogen-bonded Turntrans-86.8-10.9177.8-66.2-48.5000113.1D102 V107D102-N105 HydrophobicContact CB-CB 4.47Å; D102-N105 PolarHBondContact OD1-N 3.35Å; D102-N105 VanDerWaalsContact OD1-N 3.08Å; D102-N105 PolarHBondContact OD2-ND2 3.04Å; N105-V107 HydrophobicContact CB-CG2 4.17Å
106N88.4Confident86.2Confident118 Ų11853 Ų5363%0.63126%0.261SS*.THydrogen-bonded Turntrans56.449.5-174-175.631.5000112Y101 D102Y101-N106 PolarHBondContact OH-OD1 3.01Å; D102-N106 WeakPolarHBondContact O-CA 3.46Å; D102-N106 PolarHBondContact O-N 3.23Å
107V88.9Confident85.5Confident75 Ų7550 Ų5046%0.45525%0.251SS..EExtended strand (participates in β ladder)trans-128.7135.1-177177.90000110.7Y101 D102 N105 I109Y101-V107 WeakPolarHBondContact CD2-O 3.35Å; D102-V107 PolarHBondContact N-O 2.85Å; D102-V107 PolarHBondContact O-N 2.82Å; D102-V107 VanDerWaalsContact O-N 3.08Å; N105-V107 HydrophobicContact CB-CG2 4.17Å; V107-I109 PolarHBondContact O-N 3.41Å
108D89Confident84.9Confident91 Ų9150 Ų5049%0.48725%0.251SS..EExtended strand (participates in β ladder)trans-75.3114.2166.7-66.2-14.5000108.6L99 Y101L99-D108 HydrophobicContact CD1-CB 3.81Å; Y101-D108 VanDerWaalsContact CD2-OD1 3.24Å; Y101-D108 WeakPolarHBondContact CD2-OD1 3.5Å
109I89.3Confident84.8Confident58 Ų5850 Ų5030%0.29725%0.251SS..EExtended strand (participates in β ladder)trans-68.9-50.1177.7-59.6-62.2000109.7I83 L89 I100 D102 V107I83-I109 HydrophobicContact CD1-CG2 3.83Å; I83-I109 HydrophobicContact CG2-CD1 4.21Å; L89-I109 HydrophobicContact CD1-CG1 4.13Å; I100-I109 HydrophobicContact CB-CB 4.14Å; I100-I109 HydrophobicContact CG2-CB 4.07Å; I100-I109 HydrophobicContact CG2-CG1 4.04Å; I100-I109 PolarHBondContact O-N 3.02Å; D102-I109 HydrophobicContact CB-CD1 4.16Å; D102-I109 HydrophobicContact CB-CG1 4.42Å; V107-I109 PolarHBondContact O-N 3.41Å
110F90.7Very high84.9Confident26 Ų2651.5 Ų51.511%0.11426%0.259CS..EExtended strand (participates in β ladder)trans-157.7152.7168.770.1-105.1000111.5I98 L99 I100 K112 Y153 A155I98-F110 HydrophobicContact CG2-CE2 4.19Å; L99-F110 WeakPolarHBondContact CD1-O 3.34Å; I100-F110 HydrophobicContact CB-CD1 4.41Å; I100-F110 HydrophobicContact CB-CE1 4.27Å; I100-F110 HydrophobicContact CD1-CD1 4.02Å; I100-F110 HydrophobicContact CD1-CE1 3.13Å; I100-F110 HydrophobicContact CD1-CE2 4.37Å; I100-F110 HydrophobicContact CD1-CZ 3.35Å; I100-F110 HydrophobicContact CG1-CD1 4.27Å; I100-F110 HydrophobicContact CG1-CE1 3.68Å; I100-F110 HydrophobicContact CG1-CE2 4.19Å; I100-F110 HydrophobicContact CG1-CZ 3.62Å; I100-F110 PolarHBondContact N-O 3.37Å; I100-F110 VanDerWaalsContact N-O 3.1Å; F110-K112 HydrophobicContact CD2-CB 4.14Å; F110-K112 HydrophobicContact CE2-CB 4.12Å; F110-Y153 WeakPolarHBondContact CD1-O 3.47Å; F110-Y153 VanDerWaalsContact CE1-O 3.29Å; F110-Y153 WeakPolarHBondContact CE1-O 3.26Å; F110-A155 HydrophobicContact CB-CB 4.46Å; F110-A155 HydrophobicContact CD1-CB 3.99Å; F110-A155 HydrophobicContact CD2-CB 3.51Å; F110-A155 HydrophobicContact CE1-CB 3.97Å; F110-A155 HydrophobicContact CE2-CB 3.53Å; F110-A155 HydrophobicContact CG-CB 3.76Å; F110-A155 HydrophobicContact CZ-CB 3.76Å
111W89.2Confident85Confident120 Ų12052.7 Ų52.746%0.45527%0.266SS..EExtended strand (participates in β ladder)trans-113.9126.9163.8168.3-103.1000109I69 S94 L99I69-W111 HydrophobicContact CD1-CE3 4.23Å; I69-W111 HydrophobicContact CD1-CZ3 3.8Å; I69-W111 HydrophobicContact CG1-CZ3 4.41Å; S94-W111 WeakPolarHBondContact OG-CH2 3.34Å; L99-W111 HydrophobicContact CB-CE3 3.89Å; L99-W111 HydrophobicContact CB-CZ3 4.25Å; L99-W111 HydrophobicContact CD1-CB 4.43Å
112K89Confident85.2Confident33 Ų3353 Ų5314%0.14327%0.268CS..EExtended strand (participates in β ladder)trans-120.6117.1173.9-176.6169.9-179173.20110.5G97 I98 F110 L114 L151 A155 E157G97-K112 CarbonylContact C-O 3.54Å; G97-K112 WeakPolarHBondContact CA-O 3.09Å; I98-K112 HydrophobicContact CG2-CB 4.04Å; I98-K112 PolarHBondContact N-O 2.94Å; I98-K112 PolarHBondContact O-N 3.04Å; F110-K112 HydrophobicContact CD2-CB 4.14Å; F110-K112 HydrophobicContact CE2-CB 4.12Å; K112-L114 HydrophobicContact CD-CD2 4.48Å; K112-L114 HydrophobicContact CG-CD2 4.36Å; K112-L151 HydrophobicContact CD-CD1 3.84Å; K112-L151 HydrophobicContact CD-CD2 4.15Å; K112-L151 VanDerWaalsContact NZ-CD2 3.27Å; K112-A155 HydrophobicContact CB-CB 4.41Å; K112-A155 HydrophobicContact CD-CB 4.11Å; K112-A155 PolarHBondContact NZ-O 3.27Å; K112-E157 WeakPolarHBondContact CE-OE1 3.27Å; K112-E157 IonicContact NZ-OE1 3.82Å; K112-E157 PolarHBondContact NZ-OE1 3.2Å
113E84.1Confident85.4Confident93 Ų9353.9 Ų53.944%0.43527%0.273SS..EExtended strand (participates in β ladder)trans-76.5129.6174.5-163.3-177.6-179.900110.3K115E113-K115 HydrophobicContact CB-CG 4.49Å; E113-K115 HydrophobicContact CG-CG 3.78Å; E113-K115 WeakPolarHBondContact OE2-CE 3.48Å; E113-K115 IonicContact OE2-NZ 2.66Å
114L83Confident85.7Confident11 Ų1154.7 Ų54.76%0.05827%0.274CS..  trans-113.770-179.2-64.7175.6000109.2Y96 I98 K112 N116 N117 G118 V119 I142 I149Y96-L114 PolarHBondContact O-N 2.94Å; I98-L114 HydrophobicContact CG2-CD1 4.48Å; K112-L114 HydrophobicContact CD-CD2 4.48Å; K112-L114 HydrophobicContact CG-CD2 4.36Å; L114-N116 PolarHBondContact O-N 3.34Å; L114-N117 PolarHBondContact O-N 3.41Å; L114-G118 PolarHBondContact O-N 2.83Å; L114-V119 HydrophobicContact CD1-CG2 3.68Å; L114-I142 HydrophobicContact CD1-CD1 3.97Å; L114-I142 HydrophobicContact CD1-CG2 4.02Å; L114-I149 HydrophobicContact CD2-CD1 4.02Å
115K64.5Low85.9Confident130 Ų13054.9 Ų54.957%0.56527%0.27SS*.THydrogen-bonded Turntrans-51.4-29.4-162.7-67.9-1791761790115.7E113E113-K115 HydrophobicContact CB-CG 4.49Å; E113-K115 HydrophobicContact CG-CG 3.78Å; E113-K115 WeakPolarHBondContact OE2-CE 3.48Å; E113-K115 IonicContact OE2-NZ 2.66Å
116N62.5Low86Confident73 Ų7352.3 Ų52.339%0.3925%0.254SS..THydrogen-bonded Turntrans-119.2-17.5-174.4-63.3-6.4000114.9L114 L705L114-N116 PolarHBondContact O-N 3.34Å; N116-L705 HydrophobicContact CB-CD2 4.3Å
117N67.4Low85.8Confident24 Ų2447 Ų4713%0.12823%0.226CC..THydrogen-bonded Turntrans-106-22.6-169.5-66.9-15.7000112.5L114 G144 H145 S147 I149L114-N117 PolarHBondContact O-N 3.41Å; N117-G144 CarbonylContact O-C 3.57Å; N117-G144 WeakPolarHBondContact O-CA 3.08Å; N117-H145 PolarHBondContact O-CD2 2.89Å; N117-H145 PolarHBondContact O-N 2.98Å; N117-S147 WeakPolarHBondContact CB-OG 3.32Å; N117-S147 WeakPolarHBondContact ND2-CB 3.5Å; N117-S147 PolarHBondContact ND2-OG 2.85Å; N117-I149 HydrophobicContact CB-CD1 4.46Å
118G75.9Confident85.4Confident0 Ų047.3 Ų47.30%023%0.225CC..  trans55.2-176.3-171.900000112.8K95 L114K95-G118 WeakPolarHBondContact O-CA 3.29Å; L114-G118 PolarHBondContact O-N 2.83Å
119V90.5Very high84.7Confident0 Ų050.8 Ų50.80%024%0.238CC..  trans-122.7119.8171.3-176.70000108.1C73 A74 S94 L114 I122 I142C73-V119 WeakPolarHBondContact CB-O 3.5Å; A74-V119 HydrophobicContact CB-CG1 4.2Å; S94-V119 VanDerWaalsContact O-CB 3.28Å; S94-V119 WeakPolarHBondContact O-CB 3.21Å; S94-V119 WeakPolarHBondContact O-CG2 3.06Å; S94-V119 PolarHBondContact O-N 3.01Å; L114-V119 HydrophobicContact CD1-CG2 3.68Å; V119-I122 HydrophobicContact CG1-CD1 3.83Å; V119-I122 HydrophobicContact CG1-CG1 3.58Å; V119-I142 HydrophobicContact CB-CG2 4.33Å; V119-I142 HydrophobicContact CG1-CG2 4.01Å; V119-I142 HydrophobicContact CG2-CG2 3.85Å
120N92.8Very high83.8Confident34 Ų3455.7 Ų55.718%0.18225%0.253CS..SBendtrans-102.9-35.6171.6-66.3-33000111.1G143 G144 I167N120-G143 WeakPolarHBondContact CB-O 3.46Å; N120-G143 PolarHBondContact N-O 2.82Å; N120-G144 VanDerWaalsContact ND2-C 3.26Å; N120-G144 PolarHBondContact ND2-O 2.8Å; N120-I167 WeakPolarHBondContact CB-O 3.18Å
121T94.8Very high82.7Confident26 Ų2656.5 Ų56.516%0.1626%0.256CS..EExtended strand (participates in β ladder)trans-150.8153.1180-169.70000111G143 I167 Y168 I170T121-G143 PolarHBondContact N-O 2.87Å; T121-G143 PolarHBondContact O-N 2.85Å; T121-I167 HydrophobicContact CG2-CG2 3.88Å; T121-Y168 WeakPolarHBondContact CB-O 3.5Å; T121-I170 HydrophobicContact CG2-CD1 3.82Å; T121-I170 HydrophobicContact CG2-CG1 3.77Å
122I95.6Very high81.6Confident13 Ų1354.7 Ų54.77%0.06725%0.251CS..EExtended strand (participates in β ladder)trans-132.3138.6179.5-65.9169.2000108.8A74 H76 I91 G93 I98 V119 I140 F141A74-I122 HydrophobicContact CB-CB 4.12Å; A74-I122 HydrophobicContact CB-CD1 3.88Å; A74-I122 HydrophobicContact CB-CG1 3.81Å; H76-I122 HydrophobicContact CB-CG2 4.09Å; I91-I122 HydrophobicContact CG2-CD1 4.09Å; I91-I122 HydrophobicContact CG2-CG2 4.17Å; G93-I122 VanDerWaalsContact CA-CD1 3.44Å; I98-I122 HydrophobicContact CD1-CD1 3.74Å; I98-I122 HydrophobicContact CD1-CG1 4.29Å; I98-I122 HydrophobicContact CG1-CD1 4.15Å; V119-I122 HydrophobicContact CG1-CD1 3.83Å; V119-I122 HydrophobicContact CG1-CG1 3.58Å; I122-I140 HydrophobicContact CG2-CG2 3.76Å; I122-F141 WeakPolarHBondContact CA-O 3.21Å
123L95.2Very high80.5Confident26 Ų2655.9 Ų55.914%0.13626%0.257CS..EExtended strand (participates in β ladder)trans-128.1123.1165.8174.274.3000108.9F141 I170 C172L123-F141 HydrophobicContact CB-CB 4.24Å; L123-F141 HydrophobicContact CD2-CD2 4.16Å; L123-F141 HydrophobicContact CG-CD2 4.48Å; L123-F141 PolarHBondContact N-O 2.78Å; L123-F141 PolarHBondContact O-N 2.88Å; L123-I170 HydrophobicContact CB-CB 4.26Å; L123-I170 HydrophobicContact CB-CG2 4.16Å; L123-I170 HydrophobicContact CD2-CG2 3.86Å; L123-C172 HydrophobicContact CD2-CB 3.96Å
124Y94.5Very high79.6Confident30 Ų3053.3 Ų53.312%0.11824%0.244CC..EExtended strand (participates in β ladder)trans-93134.7165.4163.8-95.2000109.5T77 K79 F80 I91 D138 I140T77-Y124 WeakPolarHBondContact O-CD1 3.5Å; K79-Y124 VanDerWaalsContact C-OH 3.28Å; K79-Y124 PolarHBondContact N-OH 2.84Å; K79-Y124 PolarHBondContact O-OH 2.87Å; F80-Y124 HydrophobicContact CD1-CE2 4.23Å; F80-Y124 HydrophobicContact CE1-CD2 4.02Å; F80-Y124 AromaticContact CE1-CE2 3.84Å; F80-Y124 HydrophobicContact CE1-CE2 3.84Å; F80-Y124 HydrophobicContact CE2-CD2 4.34Å; F80-Y124 HydrophobicContact CE2-CE2 4.29Å; F80-Y124 AromaticContact CZ-CD2 3.75Å; F80-Y124 HydrophobicContact CZ-CD2 3.75Å; F80-Y124 AromaticContact CZ-CE2 3.88Å; F80-Y124 HydrophobicContact CZ-CE2 3.88Å; I91-Y124 HydrophobicContact CD1-CD2 4.26Å; I91-Y124 HydrophobicContact CD1-CG 4.23Å; Y124-D138 HydrophobicContact CE2-CB 4.06Å; Y124-D138 PolarHBondContact OH-OD1 2.81Å; Y124-I140 HydrophobicContact CD2-CG1 4.42Å
125K91.3Very high79Confident62 Ų6261.8 Ų61.827%0.2728%0.28SS..EExtended strand (participates in β ladder)trans-137.7125176.3-177.165.1174.7-1790109.7F127 I139 F141 C172K125-F127 HydrophobicContact CB-CE2 4.07Å; K125-F127 HydrophobicContact CB-CZ 4.12Å; K125-F127 HydrophobicContact CG-CD1 4.14Å; K125-F127 HydrophobicContact CG-CD2 4.21Å; K125-F127 HydrophobicContact CG-CE1 3.68Å; K125-F127 HydrophobicContact CG-CE2 3.77Å; K125-F127 HydrophobicContact CG-CG 4.39Å; K125-F127 HydrophobicContact CG-CZ 3.5Å; K125-F127 VanDerWaalsContact CG-CZ 3.5Å; K125-I139 PolarHBondContact N-O 3.4Å; K125-I139 PolarHBondContact O-N 2.74Å; K125-F141 HydrophobicContact CB-CD2 4.37Å; K125-F141 HydrophobicContact CB-CE2 3.97Å; K125-C172 HydrophobicContact CD-CB 4.39Å; K125-C172 HydrophobicContact CG-CB 4.32Å
126H89.3Confident79.5Confident55 Ų5556.7 Ų56.726%0.25526%0.259SS..EExtended strand (participates in β ladder)trans-86.3127.8162.3-172.681.8000108.9E81 T137 D138E81-H126 VanDerWaalsContact CD-CE1 3.48Å; E81-H126 IonicContact OE1-CE1 2.9Å; E81-H126 IonicContact OE2-CE1 3.89Å; E81-H126 PolarHBondContact OE2-CE1 3.47Å; E81-H126 IonicContact OE2-NE2 3.12Å; H126-T137 CarbonylContact C-O 3.44Å; H126-D138 IonicContact CE1-OD1 2.73Å; H126-D138 IonicContact CG-OD1 2.74Å; H126-D138 IonicContact ND1-OD1 2.81Å; H126-D138 PolarHBondContact ND1-OD1 2.98Å
127F84.9Confident80.5Confident6 Ų653.9 Ų53.93%0.02624%0.244CC..PPolyproline II helixtrans-103.3119.3173.3-65.8-76.6000109.3K125 T137 I139 F141 N183K125-F127 HydrophobicContact CB-CE2 4.07Å; K125-F127 HydrophobicContact CB-CZ 4.12Å; K125-F127 HydrophobicContact CG-CD1 4.14Å; K125-F127 HydrophobicContact CG-CD2 4.21Å; K125-F127 HydrophobicContact CG-CE1 3.68Å; K125-F127 HydrophobicContact CG-CE2 3.77Å; K125-F127 HydrophobicContact CG-CG 4.39Å; K125-F127 HydrophobicContact CG-CZ 3.5Å; K125-F127 VanDerWaalsContact CG-CZ 3.5Å; F127-T137 PolarHBondContact N-O 2.85Å; F127-T137 WeakPolarHBondContact O-CB 3.44Å; F127-T137 WeakPolarHBondContact O-CG2 3.45Å; F127-I139 HydrophobicContact CD2-CB 4.5Å; F127-I139 HydrophobicContact CD2-CD1 3.91Å; F127-I139 HydrophobicContact CD2-CG1 4.06Å; F127-I139 HydrophobicContact CE2-CB 4.06Å; F127-I139 HydrophobicContact CE2-CD1 3.73Å; F127-I139 HydrophobicContact CE2-CG1 4Å; F127-F141 AromaticContact CE2-CE2 3.85Å; F127-F141 HydrophobicContact CE2-CE2 3.85Å; F127-F141 AromaticContact CE2-CZ 3.88Å; F127-F141 HydrophobicContact CE2-CZ 3.88Å; F127-F141 AromaticContact CZ-CE2 3.82Å; F127-F141 HydrophobicContact CZ-CE2 3.82Å; F127-F141 AromaticContact CZ-CZ 3.82Å; F127-F141 HydrophobicContact CZ-CZ 3.82Å; F127-N183 HydrophobicContact CD1-CB 4.38Å; F127-N183 VanDerWaalsContact CD1-CG 3.49Å; F127-N183 VanDerWaalsContact CD1-ND2 3.29Å; F127-N183 WeakPolarHBondContact CD1-ND2 3.43Å; F127-N183 HydrophobicContact CE1-CB 3.67Å; F127-N183 WeakPolarHBondContact CE1-ND2 3.48Å; F127-N183 WeakPolarHBondContact CE1-OD1 3.48Å; F127-N183 HydrophobicContact CZ-CB 4.44Å
128D79.1Confident81.5Confident82 Ų8252.7 Ų52.744%0.43924%0.238SC..PPolyproline II helixtrans-54.4151167.1-74-4.6000110R130 Y131 K132D128-R130 PolarHBondContact O-N 3.19Å; D128-Y131 HydrophobicContact CB-CD2 4.09Å; D128-Y131 CarbonylContact O-C 3.6Å; D128-Y131 WeakPolarHBondContact O-CA 3.36Å; D128-Y131 PolarHBondContact O-N 3.29Å; D128-K132 PolarHBondContact O-N 3.41Å
129E75.8Confident82.3Confident165 Ų16552.7 Ų52.777%0.77124%0.238SC*.G310 helixtrans-53.4-31.1-179.4-68.8-162.1148.900113.8K132E129-K132 WeakPolarHBondContact O-CB 3.25Å; E129-K132 PolarHBondContact O-N 2.78Å
130R70.5Confident82.4Confident160 Ų16052.7 Ų52.760%0.60424%0.238SC*.G310 helixtrans-68.2-33.3177.2-70.3-176.8-74.3169.7-2113.3D128 K132 Y181D128-R130 PolarHBondContact O-N 3.19Å; R130-K132 VanDerWaalsContact C-N 3.31Å; R130-Y181 HydrophobicContact CB-CD2 3.9Å; R130-Y181 HydrophobicContact CB-CE2 4.01Å; R130-Y181 HydrophobicContact CB-CG 4.32Å; R130-Y181 HydrophobicContact CG-CE2 4.38Å; R130-Y181 VanDerWaalsContact O-CB 3.26Å; R130-Y181 WeakPolarHBondContact O-CB 3.46Å; R130-Y181 WeakPolarHBondContact O-CD2 3.18Å
131Y66.6Low82.5Confident43 Ų4351.1 Ų51.117%0.16923%0.23CC..G310 helixtrans-95.912.9178-65.8-91.8000111.1D128 Q133 Y181 N183D128-Y131 HydrophobicContact CB-CD2 4.09Å; D128-Y131 CarbonylContact O-C 3.6Å; D128-Y131 WeakPolarHBondContact O-CA 3.36Å; D128-Y131 PolarHBondContact O-N 3.29Å; Y131-Q133 PolarHBondContact O-N 2.94Å; Y131-Y181 HydrophobicContact CD1-CD1 4.1Å; Y131-Y181 HydrophobicContact CD1-CG 4.24Å; Y131-Y181 HydrophobicContact CD2-CD1 4.43Å; Y131-Y181 AromaticContact CE1-CD1 3.44Å; Y131-Y181 HydrophobicContact CE1-CD1 3.44Å; Y131-Y181 VanDerWaalsContact CE1-CD1 3.44Å; Y131-Y181 HydrophobicContact CE1-CE1 4.43Å; Y131-Y181 HydrophobicContact CE1-CG 4.03Å; Y131-Y181 AromaticContact CE2-CD1 3.86Å; Y131-Y181 HydrophobicContact CE2-CD1 3.86Å; Y131-Y181 HydrophobicContact CE2-CE1 4.3Å; Y131-Y181 HydrophobicContact CE2-CG 4.47Å; Y131-Y181 AromaticContact CZ-CD1 3.3Å; Y131-Y181 AromaticContact CZ-CE1 3.89Å; Y131-Y181 WeakPolarHBondContact OH-CD1 3.24Å; Y131-N183 PolarHBondContact O-ND2 3.25Å
132K66.1Low82.5Confident82 Ų8249.9 Ų49.936%0.35722%0.222SC..  trans-77101.4-171.2-174170.5-177.1174.50111D128 E129 R130 Y134 K135 T137D128-K132 PolarHBondContact O-N 3.41Å; E129-K132 WeakPolarHBondContact O-CB 3.25Å; E129-K132 PolarHBondContact O-N 2.78Å; R130-K132 VanDerWaalsContact C-N 3.31Å; K132-Y134 WeakPolarHBondContact CE-O 3.37Å; K132-Y134 WeakPolarHBondContact CG-O 3.28Å; K132-K135 WeakPolarHBondContact CE-O 3.43Å; K132-K135 PolarHBondContact NZ-O 2.86Å; K132-T137 HydrophobicContact CD-CG2 4Å
133Q65.5Low82.4Confident59 Ų5949.3 Ų49.328%0.27622%0.219SC..  trans-85.3-26.6173.2-72.7173.1-1800112.5Y131 N183 N199Y131-Q133 PolarHBondContact O-N 2.94Å; Q133-N183 VanDerWaalsContact NE2-N 3.11Å; Q133-N183 PolarHBondContact NE2-O 3.08Å; Q133-N183 VanDerWaalsContact NE2-O 3.17Å; Q133-N199 PolarHBondContact OE1-OD1 3.14Å
134Y66.2Low82.2Confident39 Ų3948 Ų4815%0.15321%0.213CC..SBendtrans-114.9164.1-178.1-61.1-82.6000111.5K132 D136 I139 L158 F159K132-Y134 WeakPolarHBondContact CE-O 3.37Å; K132-Y134 WeakPolarHBondContact CG-O 3.28Å; Y134-D136 PolarHBondContact O-N 2.91Å; Y134-I139 HydrophobicContact CD2-CD1 3.29Å; Y134-I139 HydrophobicContact CE2-CD1 4.02Å; Y134-I139 HydrophobicContact CG-CD1 3.84Å; Y134-L158 HydrophobicContact CD1-CB 4.22Å; Y134-F159 HydrophobicContact CE1-CB 4.15Å
135K69.5Low81.7Confident189 Ų18947.6 Ų47.682%0.82221%0.211SC*.SBendtrans-61.9-24.7177.6-76.9-172.4177.5-1780113.9K132K132-K135 WeakPolarHBondContact CE-O 3.43Å; K132-K135 PolarHBondContact NZ-O 2.86Å
136D76.5Confident81.4Confident23 Ų2344.7 Ų44.712%0.12320%0.199CC..  trans-103.8143.4178.6-61.4-44.9000110Y134 N152 L158Y134-D136 PolarHBondContact O-N 2.91Å; D136-N152 HydrophobicContact CB-CB 4.2Å; D136-N152 VanDerWaalsContact OD2-CB 3.23Å; D136-N152 WeakPolarHBondContact OD2-CB 3.32Å; D136-N152 PolarHBondContact OD2-ND2 2.81Å; D136-L158 HydrophobicContact CB-CD1 4.29Å
137T82.8Confident81.3Confident13 Ų1342.1 Ų42.18%0.0819%0.187CC..SBendtrans-84-31.9177.546.50000111.8H126 F127 K132H126-T137 CarbonylContact C-O 3.44Å; F127-T137 PolarHBondContact N-O 2.85Å; F127-T137 WeakPolarHBondContact O-CB 3.44Å; F127-T137 WeakPolarHBondContact O-CG2 3.45Å; K132-T137 HydrophobicContact CD-CG2 4Å
138D89.2Confident81.6Confident0 Ų041.8 Ų41.80%019%0.186CC..EExtended strand (participates in β ladder)trans-97.3114.5-179-67.9-51.9000111.6F80 E81 Y124 H126F80-D138 WeakPolarHBondContact CA-OD2 3.49Å; F80-D138 HydrophobicContact CD1-CB 3.81Å; F80-D138 HydrophobicContact CE1-CB 4.26Å; E81-D138 PolarHBondContact N-OD2 2.66Å; Y124-D138 HydrophobicContact CE2-CB 4.06Å; Y124-D138 PolarHBondContact OH-OD1 2.81Å; H126-D138 IonicContact CE1-OD1 2.73Å; H126-D138 IonicContact CG-OD1 2.74Å; H126-D138 IonicContact ND1-OD1 2.81Å; H126-D138 PolarHBondContact ND1-OD1 2.98Å
139I91.3Very high82.2Confident0 Ų038.1 Ų38.10%017%0.166CC..EExtended strand (participates in β ladder)trans-126.5138.5-178.9-51-174.8000110.7K125 F127 Y134 F141 L151 L158K125-I139 PolarHBondContact N-O 3.4Å; K125-I139 PolarHBondContact O-N 2.74Å; F127-I139 HydrophobicContact CD2-CB 4.5Å; F127-I139 HydrophobicContact CD2-CD1 3.91Å; F127-I139 HydrophobicContact CD2-CG1 4.06Å; F127-I139 HydrophobicContact CE2-CB 4.06Å; F127-I139 HydrophobicContact CE2-CD1 3.73Å; F127-I139 HydrophobicContact CE2-CG1 4Å; Y134-I139 HydrophobicContact CD2-CD1 3.29Å; Y134-I139 HydrophobicContact CE2-CD1 4.02Å; Y134-I139 HydrophobicContact CG-CD1 3.84Å; I139-F141 HydrophobicContact CB-CE2 4.16Å; I139-F141 HydrophobicContact CB-CZ 4.23Å; I139-F141 HydrophobicContact CG2-CD1 4.34Å; I139-F141 HydrophobicContact CG2-CD2 4.36Å; I139-F141 HydrophobicContact CG2-CE1 3.97Å; I139-F141 HydrophobicContact CG2-CE2 3.99Å; I139-F141 HydrophobicContact CG2-CZ 3.79Å; I139-L151 WeakPolarHBondContact CA-O 3.5Å; I139-L158 HydrophobicContact CD1-CD1 3.78Å; I139-L158 HydrophobicContact CG1-CD1 3.79Å; I139-L158 HydrophobicContact CG2-CD1 4.34Å
140I94.1Very high82.9Confident0 Ų030.2 Ų30.20%013%0.129CC..EExtended strand (participates in β ladder)trans-107.9111.2172.8-50.7171000107.8F80 I91 I98 I100 I122 Y124 I142 G150 L151F80-I140 HydrophobicContact CE1-CD1 3.83Å; F80-I140 HydrophobicContact CE1-CG1 3.91Å; F80-I140 HydrophobicContact CZ-CD1 3.54Å; F80-I140 HydrophobicContact CZ-CG1 3.78Å; I91-I140 HydrophobicContact CD1-CD1 4.15Å; I91-I140 HydrophobicContact CD1-CG1 4.22Å; I91-I140 HydrophobicContact CG2-CG2 4.39Å; I98-I140 HydrophobicContact CD1-CG2 3.79Å; I100-I140 HydrophobicContact CD1-CD1 3.35Å; I100-I140 HydrophobicContact CG1-CD1 4.15Å; I122-I140 HydrophobicContact CG2-CG2 3.76Å; Y124-I140 HydrophobicContact CD2-CG1 4.42Å; I140-I142 HydrophobicContact CG2-CG1 4.13Å; I140-G150 CarbonylContact O-C 3.5Å; I140-G150 WeakPolarHBondContact O-CA 3.18Å; I140-L151 HydrophobicContact CB-CB 4.48Å; I140-L151 PolarHBondContact N-O 2.83Å; I140-L151 PolarHBondContact O-N 3.49Å
141F94.3Very high83.9Confident1 Ų122.6 Ų22.60%0.00410%0.1CC..EExtended strand (participates in β ladder)trans-87.5128.9172.3-61-78.3000109.7I122 L123 K125 F127 I139 L148 I149 F159 I170 I185I122-F141 WeakPolarHBondContact CA-O 3.21Å; L123-F141 HydrophobicContact CB-CB 4.24Å; L123-F141 HydrophobicContact CD2-CD2 4.16Å; L123-F141 HydrophobicContact CG-CD2 4.48Å; L123-F141 PolarHBondContact N-O 2.78Å; L123-F141 PolarHBondContact O-N 2.88Å; K125-F141 HydrophobicContact CB-CD2 4.37Å; K125-F141 HydrophobicContact CB-CE2 3.97Å; F127-F141 AromaticContact CE2-CE2 3.85Å; F127-F141 HydrophobicContact CE2-CE2 3.85Å; F127-F141 AromaticContact CE2-CZ 3.88Å; F127-F141 HydrophobicContact CE2-CZ 3.88Å; F127-F141 AromaticContact CZ-CE2 3.82Å; F127-F141 HydrophobicContact CZ-CE2 3.82Å; F127-F141 AromaticContact CZ-CZ 3.82Å; F127-F141 HydrophobicContact CZ-CZ 3.82Å; I139-F141 HydrophobicContact CB-CE2 4.16Å; I139-F141 HydrophobicContact CB-CZ 4.23Å; I139-F141 HydrophobicContact CG2-CD1 4.34Å; I139-F141 HydrophobicContact CG2-CD2 4.36Å; I139-F141 HydrophobicContact CG2-CE1 3.97Å; I139-F141 HydrophobicContact CG2-CE2 3.99Å; I139-F141 HydrophobicContact CG2-CZ 3.79Å; F141-L148 HydrophobicContact CB-CD1 4.46Å; F141-I149 CarbonylContact C-O 3.6Å; F141-I149 WeakPolarHBondContact CA-O 3.29Å; F141-F159 AromaticContact CD1-CE1 3.35Å; F141-F159 HydrophobicContact CD1-CE1 3.35Å; F141-F159 AromaticContact CD1-CZ 3.47Å; F141-F159 HydrophobicContact CD1-CZ 3.47Å; F141-F159 VanDerWaalsContact CD1-CZ 3.47Å; F141-F159 HydrophobicContact CE1-CD1 4.24Å; F141-F159 AromaticContact CE1-CE1 3.19Å; F141-F159 HydrophobicContact CE1-CE1 3.19Å; F141-F159 AromaticContact CE1-CZ 3.58Å; F141-F159 HydrophobicContact CE1-CZ 3.58Å; F141-F159 HydrophobicContact CZ-CE1 4.43Å; F141-I170 HydrophobicContact CB-CD1 4.39Å; F141-I170 HydrophobicContact CB-CG2 4.19Å; F141-I185 HydrophobicContact CD1-CD1 3.91Å; F141-I185 HydrophobicContact CD1-CG1 4.38Å; F141-I185 HydrophobicContact CD1-CG2 4.48Å; F141-I185 HydrophobicContact CE1-CD1 3.23Å; F141-I185 HydrophobicContact CE1-CG1 3.8Å; F141-I185 HydrophobicContact CZ-CD1 3.85Å; F141-I185 HydrophobicContact CZ-CG1 4.01Å
142I95.1Very high85Confident0 Ų020.8 Ų20.80%09%0.093CC..EExtended strand (participates in β ladder)trans-120.8119.9-177.3-55.8176.8000108.3I98 L114 V119 I140 L148 I149 L151I98-I142 HydrophobicContact CB-CD1 4.28Å; I98-I142 HydrophobicContact CD1-CD1 3.52Å; I98-I142 HydrophobicContact CD1-CG1 3.96Å; I98-I142 HydrophobicContact CG2-CD1 3.95Å; L114-I142 HydrophobicContact CD1-CD1 3.97Å; L114-I142 HydrophobicContact CD1-CG2 4.02Å; V119-I142 HydrophobicContact CB-CG2 4.33Å; V119-I142 HydrophobicContact CG1-CG2 4.01Å; V119-I142 HydrophobicContact CG2-CG2 3.85Å; I140-I142 HydrophobicContact CG2-CG1 4.13Å; I142-L148 WeakPolarHBondContact O-CA 3.49Å; I142-I149 HydrophobicContact CB-CB 4.32Å; I142-I149 PolarHBondContact N-O 3.23Å; I142-I149 PolarHBondContact O-N 2.69Å; I142-L151 HydrophobicContact CD1-CD1 3.54Å; I142-L151 HydrophobicContact CD1-CG 4.01Å
143G93.6Very high85.8Confident0 Ų020 Ų200%09%0.089CC..EExtended strand (participates in β ladder)trans-91.7111.9171.400000109.4N120 T121N120-G143 WeakPolarHBondContact CB-O 3.46Å; N120-G143 PolarHBondContact N-O 2.82Å; T121-G143 PolarHBondContact N-O 2.87Å; T121-G143 PolarHBondContact O-N 2.85Å
144G90.1Very high86.8Confident0 Ų020.5 Ų20.50%010%0.099CC..  trans-96.1-160.2175.100000112.2N117 N120 S147 I167N117-G144 CarbonylContact O-C 3.57Å; N117-G144 WeakPolarHBondContact O-CA 3.08Å; N120-G144 VanDerWaalsContact ND2-C 3.26Å; N120-G144 PolarHBondContact ND2-O 2.8Å; G144-S147 PolarHBondContact N-O 3.23Å; G144-I167 PolarHBondContact O-N 3.41Å
145H83.6Confident87.8Confident20 Ų2019.6 Ų19.69%0.09310%0.099CC..SBendtrans-75.9-27.1179.1-73.6-66.8000114.6N117 D165 R166 M702N117-H145 PolarHBondContact O-CD2 2.89Å; N117-H145 PolarHBondContact O-N 2.98Å; H145-D165 CarbonylContact O-C 3.57Å; H145-R166 HydrophobicContact CB-CG 4.17Å; H145-R166 VanDerWaalsContact ND1-CD 3.34Å; H145-R166 WeakPolarHBondContact ND1-CD 3.36Å; H145-R166 PolarHBondContact ND1-NE 2.8Å; H145-R166 VanDerWaalsContact ND1-NE 3.18Å; H145-R166 WeakPolarHBondContact O-CA 3.49Å; H145-R166 WeakPolarHBondContact O-CG 3.43Å; H145-R166 PolarHBondContact O-N 2.94Å; H145-M702 HydrophobicContact CB-CE 3.13Å; H145-M702 HydrophobicContact CB-CG 4.25Å; H145-M702 HydrophobicContact CB-SD 3.33Å; H145-M702 WeakPolarHBondContact CB-SD 3.37Å; H145-M702 PolarHBondContact CD2-SD 2.84Å
146C84.9Confident88.7Confident1 Ų117.1 Ų17.11%0.0079%0.088CC..SBendtrans-153.825174.8-63.10000111.2T163 K706 N709C146-T163 WeakPolarHBondContact CA-O 3.37Å; C146-T163 WeakPolarHBondContact CA-OG1 3.39Å; C146-T163 WeakPolarHBondContact CB-O 3.48Å; C146-T163 PolarHBondContact O-N 2.88Å; C146-K706 VanDerWaalsContact SG-CA 3.59Å; C146-N709 HydrophobicContact CB-CB 4.25Å; C146-N709 WeakPolarHBondContact CB-ND2 3.48Å
147S87.4Confident89.3Confident1 Ų120.8 Ų20.81%0.00711%0.105CC..EExtended strand (participates in β ladder)trans-148.7143-173.270.20000111.1N117 G144 T161 I167N117-S147 WeakPolarHBondContact CB-OG 3.32Å; N117-S147 WeakPolarHBondContact ND2-CB 3.5Å; N117-S147 PolarHBondContact ND2-OG 2.85Å; G144-S147 PolarHBondContact N-O 3.23Å; S147-T161 CarbonylContact C-O 3.41Å; S147-T161 VanDerWaalsContact CA-O 3.29Å; S147-T161 WeakPolarHBondContact CA-O 3.06Å; S147-I167 WeakPolarHBondContact O-CD1 3.48Å
148L91.3Very high89.5Confident0 Ų022 Ų220%011%0.111CC..EExtended strand (participates in β ladder)trans-107.4125.416617470.7000108.3F141 I142 F159 W160 T161 I167 I170 I185 V187 F197F141-L148 HydrophobicContact CB-CD1 4.46Å; I142-L148 WeakPolarHBondContact O-CA 3.49Å; L148-F159 HydrophobicContact CD1-CZ 4.38Å; L148-F159 HydrophobicContact CD2-CE2 3.6Å; L148-F159 HydrophobicContact CD2-CZ 3.74Å; L148-F159 HydrophobicContact CG-CE2 3.69Å; L148-F159 HydrophobicContact CG-CZ 3.66Å; L148-W160 WeakPolarHBondContact O-CA 3.25Å; L148-T161 HydrophobicContact CB-CG2 3.73Å; L148-T161 HydrophobicContact CD2-CG2 3.94Å; L148-T161 HydrophobicContact CG-CG2 4.26Å; L148-T161 PolarHBondContact N-O 2.91Å; L148-T161 PolarHBondContact O-N 2.64Å; L148-I167 HydrophobicContact CB-CD1 3.83Å; L148-I170 HydrophobicContact CD1-CD1 3.48Å; L148-I170 VanDerWaalsContact CD1-CD1 3.48Å; L148-I170 HydrophobicContact CD1-CG1 4.29Å; L148-I185 HydrophobicContact CD2-CG2 3.99Å; L148-V187 HydrophobicContact CD1-CG2 4.38Å; L148-V187 HydrophobicContact CD2-CG2 3.85Å; L148-F197 HydrophobicContact CD2-CD2 4.31Å
149I91.4Very high89.3Confident4 Ų422.1 Ų22.12%0.02111%0.111CC..EExtended strand (participates in β ladder)trans-122134.3-177.8-42.3-171.2000109.4L114 N117 F141 I142 L151 E157L114-I149 HydrophobicContact CD2-CD1 4.02Å; N117-I149 HydrophobicContact CB-CD1 4.46Å; F141-I149 CarbonylContact C-O 3.6Å; F141-I149 WeakPolarHBondContact CA-O 3.29Å; I142-I149 HydrophobicContact CB-CB 4.32Å; I142-I149 PolarHBondContact N-O 3.23Å; I142-I149 PolarHBondContact O-N 2.69Å; I149-L151 HydrophobicContact CG2-CD2 3.92Å; I149-L151 HydrophobicContact CG2-CG 4.35Å; I149-E157 HydrophobicContact CG2-CG 4.35Å
150G91.6Very high89Confident0 Ų027 Ų270%013%0.13CC..EExtended strand (participates in β ladder)trans-106.3122.3168.400000112I140 E157 L158 F159I140-G150 CarbonylContact O-C 3.5Å; I140-G150 WeakPolarHBondContact O-CA 3.18Å; G150-E157 WeakPolarHBondContact O-CA 3.49Å; G150-L158 PolarHBondContact O-N 3.47Å; G150-F159 VanDerWaalsContact N-CE1 3.28Å; G150-F159 PolarHBondContact N-O 3.2Å
151L91.9Very high88.6Confident0 Ų027.4 Ų27.40%013%0.132CC..EExtended strand (participates in β ladder)trans-113147.1174.4-56.5-177.7000111.2I98 K112 I139 I140 I142 I149 K156 E157I98-L151 HydrophobicContact CG2-CD1 3.94Å; K112-L151 HydrophobicContact CD-CD1 3.84Å; K112-L151 HydrophobicContact CD-CD2 4.15Å; K112-L151 VanDerWaalsContact NZ-CD2 3.27Å; I139-L151 WeakPolarHBondContact CA-O 3.5Å; I140-L151 HydrophobicContact CB-CB 4.48Å; I140-L151 PolarHBondContact N-O 2.83Å; I140-L151 PolarHBondContact O-N 3.49Å; I142-L151 HydrophobicContact CD1-CD1 3.54Å; I142-L151 HydrophobicContact CD1-CG 4.01Å; I149-L151 HydrophobicContact CG2-CD2 3.92Å; I149-L151 HydrophobicContact CG2-CG 4.35Å; L151-K156 WeakPolarHBondContact CA-O 3.43Å; L151-E157 HydrophobicContact CD2-CB 4.41Å; L151-E157 HydrophobicContact CD2-CG 3.61Å
152N89.3Confident87.9Confident4 Ų428.8 Ų28.82%0.02114%0.14CC..  trans-91.4-176.816573.3-1000111.7D136 S154 A155 K156 L158D136-N152 HydrophobicContact CB-CB 4.2Å; D136-N152 VanDerWaalsContact OD2-CB 3.23Å; D136-N152 WeakPolarHBondContact OD2-CB 3.32Å; D136-N152 PolarHBondContact OD2-ND2 2.81Å; N152-S154 PolarHBondContact ND2-OG 2.84Å; N152-S154 PolarHBondContact O-N 3.29Å; N152-S154 PolarHBondContact OD1-N 2.81Å; N152-S154 PolarHBondContact OD1-OG 2.59Å; N152-A155 PolarHBondContact O-N 2.98Å; N152-A155 VanDerWaalsContact O-N 3.11Å; N152-A155 PolarHBondContact OD1-N 2.71Å; N152-K156 PolarHBondContact N-O 2.83Å; N152-K156 VanDerWaalsContact N-O 3.09Å; N152-K156 WeakPolarHBondContact OD1-CB 3.46Å; N152-K156 PolarHBondContact OD1-N 2.81Å; N152-K156 PolarHBondContact OD1-O 3.44Å; N152-L158 HydrophobicContact CB-CD1 3.97Å; N152-L158 HydrophobicContact CB-CD2 4.34Å; N152-L158 HydrophobicContact CB-CG 4.13Å
153Y83.5Confident87.4Confident66 Ų6628.8 Ų28.826%0.25914%0.14SC..THydrogen-bonded Turntrans-62.4-18.9178.768.4-91.5000114.9H82 F110H82-Y153 HydrophobicContact CB-CD1 4.1Å; H82-Y153 HydrophobicContact CB-CD2 4.24Å; H82-Y153 HydrophobicContact CB-CE1 3.97Å; H82-Y153 HydrophobicContact CB-CE2 4.12Å; H82-Y153 HydrophobicContact CB-CG 4.24Å; H82-Y153 AromaticContact CD2-CD1 3.82Å; H82-Y153 AromaticContact CD2-CE1 3.41Å; H82-Y153 VanDerWaalsContact CD2-CE1 3.41Å; H82-Y153 WeakPolarHBondContact CD2-CE1 3.35Å; H82-Y153 AromaticContact CG-CE1 3.67Å; H82-Y153 AromaticContact CG-CZ 3.87Å; F110-Y153 WeakPolarHBondContact CD1-O 3.47Å; F110-Y153 VanDerWaalsContact CE1-O 3.29Å; F110-Y153 WeakPolarHBondContact CE1-O 3.26Å
154S85.8Confident86.6Confident69 Ų6929 Ų2948%0.48314%0.142SC..THydrogen-bonded Turntrans-99.415.2177.258.20000113.3N152 K156N152-S154 PolarHBondContact ND2-OG 2.84Å; N152-S154 PolarHBondContact O-N 3.29Å; N152-S154 PolarHBondContact OD1-N 2.81Å; N152-S154 PolarHBondContact OD1-OG 2.59Å; S154-K156 PolarHBondContact O-N 2.9Å
155A86.3Confident86.4Confident20 Ų2029.5 Ų29.517%0.16515%0.145CC..SBendtrans63.214.2-177.700000114.7F110 K112 N152F110-A155 HydrophobicContact CB-CB 4.46Å; F110-A155 HydrophobicContact CD1-CB 3.99Å; F110-A155 HydrophobicContact CD2-CB 3.51Å; F110-A155 HydrophobicContact CE1-CB 3.97Å; F110-A155 HydrophobicContact CE2-CB 3.53Å; F110-A155 HydrophobicContact CG-CB 3.76Å; F110-A155 HydrophobicContact CZ-CB 3.76Å; K112-A155 HydrophobicContact CB-CB 4.41Å; K112-A155 HydrophobicContact CD-CB 4.11Å; K112-A155 PolarHBondContact NZ-O 3.27Å; N152-A155 PolarHBondContact O-N 2.98Å; N152-A155 VanDerWaalsContact O-N 3.11Å; N152-A155 PolarHBondContact OD1-N 2.71Å
156K88.8Confident86.8Confident137 Ų13732.4 Ų32.460%0.59616%0.155SC*.  trans-75.9136.4174-173.7-178.8176-177.60109.6L151 N152 S154 L158L151-K156 WeakPolarHBondContact CA-O 3.43Å; N152-K156 PolarHBondContact N-O 2.83Å; N152-K156 VanDerWaalsContact N-O 3.09Å; N152-K156 WeakPolarHBondContact OD1-CB 3.46Å; N152-K156 PolarHBondContact OD1-N 2.81Å; N152-K156 PolarHBondContact OD1-O 3.44Å; S154-K156 PolarHBondContact O-N 2.9Å; K156-L158 PolarHBondContact O-N 3.26Å
157E88.7Confident87.2Confident100 Ų10032.3 Ų32.347%0.46716%0.155SC..EExtended strand (participates in β ladder)trans-75.1120.3175.3-63173.5-173.600109K112 I149 G150 L151K112-E157 WeakPolarHBondContact CE-OE1 3.27Å; K112-E157 IonicContact NZ-OE1 3.82Å; K112-E157 PolarHBondContact NZ-OE1 3.2Å; I149-E157 HydrophobicContact CG2-CG 4.35Å; G150-E157 WeakPolarHBondContact O-CA 3.49Å; L151-E157 HydrophobicContact CD2-CB 4.41Å; L151-E157 HydrophobicContact CD2-CG 3.61Å
158L86.7Confident87.5Confident38 Ų3835 Ų3520%0.19917%0.165CC..EExtended strand (participates in β ladder)trans-91.3-37.1175.7-65.4-178.4000111.5Y134 D136 I139 G150 N152 K156Y134-L158 HydrophobicContact CD1-CB 4.22Å; D136-L158 HydrophobicContact CB-CD1 4.29Å; I139-L158 HydrophobicContact CD1-CD1 3.78Å; I139-L158 HydrophobicContact CG1-CD1 3.79Å; I139-L158 HydrophobicContact CG2-CD1 4.34Å; G150-L158 PolarHBondContact O-N 3.47Å; N152-L158 HydrophobicContact CB-CD1 3.97Å; N152-L158 HydrophobicContact CB-CD2 4.34Å; N152-L158 HydrophobicContact CB-CG 4.13Å; K156-L158 PolarHBondContact O-N 3.26Å
159F86Confident87.8Confident4 Ų435.3 Ų35.32%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-154.1157.1173.685.2-79.8000109.7Y134 F141 L148 G150 T161 I185 E200Y134-F159 HydrophobicContact CE1-CB 4.15Å; F141-F159 AromaticContact CD1-CE1 3.35Å; F141-F159 HydrophobicContact CD1-CE1 3.35Å; F141-F159 AromaticContact CD1-CZ 3.47Å; F141-F159 HydrophobicContact CD1-CZ 3.47Å; F141-F159 VanDerWaalsContact CD1-CZ 3.47Å; F141-F159 HydrophobicContact CE1-CD1 4.24Å; F141-F159 AromaticContact CE1-CE1 3.19Å; F141-F159 HydrophobicContact CE1-CE1 3.19Å; F141-F159 AromaticContact CE1-CZ 3.58Å; F141-F159 HydrophobicContact CE1-CZ 3.58Å; F141-F159 HydrophobicContact CZ-CE1 4.43Å; L148-F159 HydrophobicContact CD1-CZ 4.38Å; L148-F159 HydrophobicContact CD2-CE2 3.6Å; L148-F159 HydrophobicContact CD2-CZ 3.74Å; L148-F159 HydrophobicContact CG-CE2 3.69Å; L148-F159 HydrophobicContact CG-CZ 3.66Å; G150-F159 VanDerWaalsContact N-CE1 3.28Å; G150-F159 PolarHBondContact N-O 3.2Å; F159-T161 HydrophobicContact CE2-CG2 4.24Å; F159-I185 HydrophobicContact CE1-CD1 4.32Å; F159-I185 HydrophobicContact CE2-CD1 4.36Å; F159-I185 HydrophobicContact CZ-CD1 3.88Å; F159-E200 HydrophobicContact CB-CG 4.3Å
160W85.3Confident88Confident103 Ų10335.6 Ų35.639%0.3917%0.169SC..EExtended strand (participates in β ladder)trans-146.6133.4175177.194000108.7L148 V162L148-W160 WeakPolarHBondContact O-CA 3.25Å; W160-V162 HydrophobicContact CE3-CG2 4.37Å; W160-V162 HydrophobicContact CH2-CG2 3.06Å; W160-V162 HydrophobicContact CZ2-CG2 3.64Å; W160-V162 HydrophobicContact CZ3-CG2 3.49Å; W160-V162 VanDerWaalsContact CZ3-CG2 3.49Å
161T84.9Confident88.3Confident8 Ų836 Ų365%0.04917%0.171CC..EExtended strand (participates in β ladder)trans-140.5156.5174.7-169.10000110.9S147 L148 F159 F197S147-T161 CarbonylContact C-O 3.41Å; S147-T161 VanDerWaalsContact CA-O 3.29Å; S147-T161 WeakPolarHBondContact CA-O 3.06Å; L148-T161 HydrophobicContact CB-CG2 3.73Å; L148-T161 HydrophobicContact CD2-CG2 3.94Å; L148-T161 HydrophobicContact CG-CG2 4.26Å; L148-T161 PolarHBondContact N-O 2.91Å; L148-T161 PolarHBondContact O-N 2.64Å; F159-T161 HydrophobicContact CE2-CG2 4.24Å; T161-F197 HydrophobicContact CG2-CD1 4.04Å; T161-F197 HydrophobicContact CG2-CE1 3.68Å; T161-F197 HydrophobicContact CG2-CZ 4.12Å
162V80.7Confident88.4Confident29 Ų2936.2 Ų36.218%0.17617%0.173CC..EExtended strand (participates in β ladder)trans-97143.4-177.1177.80000109.9W160 N709W160-V162 HydrophobicContact CE3-CG2 4.37Å; W160-V162 HydrophobicContact CH2-CG2 3.06Å; W160-V162 HydrophobicContact CZ2-CG2 3.64Å; W160-V162 HydrophobicContact CZ3-CG2 3.49Å; W160-V162 VanDerWaalsContact CZ3-CG2 3.49Å; V162-N709 HydrophobicContact CG1-CB 3.49Å; V162-N709 VanDerWaalsContact CG1-CB 3.49Å; V162-N709 VanDerWaalsContact CG1-OD1 3.27Å; V162-N709 WeakPolarHBondContact CG1-OD1 3.4Å
163T83.4Confident88.6Confident0 Ų036 Ų360%017%0.172CC..  trans-124152.4169.259.90000110.2C146 D165 I167 F197C146-T163 WeakPolarHBondContact CA-O 3.37Å; C146-T163 WeakPolarHBondContact CA-OG1 3.39Å; C146-T163 WeakPolarHBondContact CB-O 3.48Å; C146-T163 PolarHBondContact O-N 2.88Å; T163-D165 PolarHBondContact O-N 2.74Å; T163-D165 PolarHBondContact OG1-O 3.01Å; T163-I167 HydrophobicContact CG2-CD1 3.8Å; T163-I167 HydrophobicContact CG2-CG1 4.18Å; T163-F197 HydrophobicContact CG2-CE2 4.45Å; T163-F197 HydrophobicContact CG2-CZ 4.09Å
164S77.8Confident88.9Confident6 Ų634.3 Ų34.34%0.04217%0.169CC..SBendtrans-54.5-32.4174.246.60000115.1D191 R195 Q710 E713S164-D191 PolarHBondContact OG-OD2 3.01Å; S164-R195 PolarHBondContact OG-NH1 2.82Å; S164-R195 PolarHBondContact OG-NH2 3.28Å; S164-Q710 VanDerWaalsContact O-CG 3.27Å; S164-Q710 WeakPolarHBondContact O-CG 3.37Å; S164-Q710 PolarHBondContact O-NE2 2.84Å; S164-E713 VanDerWaalsContact CA-OE2 3.24Å; S164-E713 WeakPolarHBondContact CA-OE2 3.25Å; S164-E713 WeakPolarHBondContact CB-OE2 3.28Å; S164-E713 PolarHBondContact N-OE2 3.15Å; S164-E713 PolarHBondContact OG-OE2 2.94Å
165D86.2Confident89Confident10 Ų1031.5 Ų31.55%0.05315%0.148CC..SBendtrans-153.1-179.8-169.6-145.2-16.9000112.4H145 T163 I167 E190 D191 K706H145-D165 CarbonylContact O-C 3.57Å; T163-D165 PolarHBondContact O-N 2.74Å; T163-D165 PolarHBondContact OG1-O 3.01Å; D165-I167 PolarHBondContact O-N 2.99Å; D165-E190 HydrophobicContact CB-CB 4.38Å; D165-D191 HydrophobicContact CB-CB 3.88Å; D165-K706 WeakPolarHBondContact OD1-CE 3.43Å; D165-K706 IonicContact OD1-NZ 2.66Å; D165-K706 PolarHBondContact OD1-NZ 3.32Å; D165-K706 VanDerWaalsContact OD2-CE 3.26Å; D165-K706 WeakPolarHBondContact OD2-CE 3.04Å; D165-K706 IonicContact OD2-NZ 3Å; D165-K706 PolarHBondContact OD2-NZ 3.48Å
166R90.6Very high88.8Confident80 Ų8036.3 Ų36.330%0.30217%0.167SC..  trans-61.8126.2-174.9-57.3-173.8-179.5145.1-6.9110.9H145 S189 E190H145-R166 HydrophobicContact CB-CG 4.17Å; H145-R166 VanDerWaalsContact ND1-CD 3.34Å; H145-R166 WeakPolarHBondContact ND1-CD 3.36Å; H145-R166 PolarHBondContact ND1-NE 2.8Å; H145-R166 VanDerWaalsContact ND1-NE 3.18Å; H145-R166 WeakPolarHBondContact O-CA 3.49Å; H145-R166 WeakPolarHBondContact O-CG 3.43Å; H145-R166 PolarHBondContact O-N 2.94Å; R166-S189 CarbonylContact O-C 3.49Å; R166-S189 VanDerWaalsContact O-CA 3.25Å; R166-S189 WeakPolarHBondContact O-CA 3.47Å; R166-E190 HydrophobicContact CB-CB 4.16Å; R166-E190 WeakPolarHBondContact CD-OE2 3.41Å; R166-E190 IonicContact NH1-OE2 2.9Å; R166-E190 PolarHBondContact NH1-OE2 3.43Å; R166-E190 PolarHBondContact O-N 3.48Å
167I93.9Very high88.3Confident0 Ų033.4 Ų33.40%016%0.158CC..EExtended strand (participates in β ladder)trans-82.4122.3174.7-60174.9000108N120 T121 G144 S147 L148 T163 D165 I170 V187N120-I167 WeakPolarHBondContact CB-O 3.18Å; T121-I167 HydrophobicContact CG2-CG2 3.88Å; G144-I167 PolarHBondContact O-N 3.41Å; S147-I167 WeakPolarHBondContact O-CD1 3.48Å; L148-I167 HydrophobicContact CB-CD1 3.83Å; T163-I167 HydrophobicContact CG2-CD1 3.8Å; T163-I167 HydrophobicContact CG2-CG1 4.18Å; D165-I167 PolarHBondContact O-N 2.99Å; I167-I170 HydrophobicContact CG2-CD1 4.07Å; I167-I170 HydrophobicContact CG2-CG1 3.67Å; I167-V187 HydrophobicContact CB-CG1 4.11Å; I167-V187 HydrophobicContact CD1-CG1 3.63Å; I167-V187 HydrophobicContact CG1-CG1 3.58Å; I167-V187 HydrophobicContact CG2-CG1 3.52Å
168Y94.7Very high87.6Confident58 Ų5836.9 Ų36.923%0.22718%0.18CC..EExtended strand (participates in β ladder)trans-104.9-25.4176.4-73.6-54.3000113.2T121 G188 E190 V212 R228T121-Y168 WeakPolarHBondContact CB-O 3.5Å; Y168-G188 PolarHBondContact N-O 2.93Å; Y168-E190 HydrophobicContact CD2-CB 4.08Å; Y168-E190 HydrophobicContact CE2-CB 3.47Å; Y168-E190 VanDerWaalsContact CE2-CB 3.47Å; Y168-E190 HydrophobicContact CE2-CG 3.73Å; Y168-E190 PolarHBondContact OH-OE1 3.03Å; Y168-E190 VanDerWaalsContact OH-OE1 3.04Å; Y168-E190 PolarHBondContact OH-OE2 3.32Å; Y168-E190 VanDerWaalsContact OH-OE2 3.14Å; Y168-V212 WeakPolarHBondContact CB-O 3.42Å; Y168-R228 VanDerWaalsContact CZ-NH2 3.3Å; Y168-R228 PolarHBondContact OH-NH2 2.93Å; Y168-R228 VanDerWaalsContact OH-NH2 3.16Å
169A96.4Very high86.8Confident5 Ų544 Ų444%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-139.8142.3-178.300000111.3G188 L215A169-G188 PolarHBondContact N-O 3.32Å; A169-G188 PolarHBondContact O-N 3.48Å; A169-L215 HydrophobicContact CB-CB 3.88Å; A169-L215 HydrophobicContact CB-CD1 3.9Å; A169-L215 HydrophobicContact CB-CG 3.74Å
170I96.8Very high86.5Confident11 Ų1150 Ų506%0.05624%0.24CC..EExtended strand (participates in β ladder)trans-134.7137173-57.9171.3000107.7T121 L123 F141 L148 I167 I185 V186T121-I170 HydrophobicContact CG2-CD1 3.82Å; T121-I170 HydrophobicContact CG2-CG1 3.77Å; L123-I170 HydrophobicContact CB-CB 4.26Å; L123-I170 HydrophobicContact CB-CG2 4.16Å; L123-I170 HydrophobicContact CD2-CG2 3.86Å; F141-I170 HydrophobicContact CB-CD1 4.39Å; F141-I170 HydrophobicContact CB-CG2 4.19Å; L148-I170 HydrophobicContact CD1-CD1 3.48Å; L148-I170 VanDerWaalsContact CD1-CD1 3.48Å; L148-I170 HydrophobicContact CD1-CG1 4.29Å; I167-I170 HydrophobicContact CG2-CD1 4.07Å; I167-I170 HydrophobicContact CG2-CG1 3.67Å; I170-I185 HydrophobicContact CG2-CG2 3.77Å; I170-V186 CarbonylContact C-O 3.59Å; I170-V186 WeakPolarHBondContact CA-O 3.46Å
171T96.3Very high86.2Confident8 Ų848.3 Ų48.35%0.04923%0.234CC..EExtended strand (participates in β ladder)trans-137.7165.7165.1-170.60000109.9V186 L215 S217 F223T171-V186 HydrophobicContact CG2-CB 3.73Å; T171-V186 HydrophobicContact CG2-CG1 4.41Å; T171-V186 HydrophobicContact CG2-CG2 4.25Å; T171-V186 PolarHBondContact N-O 2.9Å; T171-V186 PolarHBondContact O-N 2.96Å; T171-L215 HydrophobicContact CG2-CB 3.8Å; T171-S217 PolarHBondContact OG1-N 3.27Å; T171-F223 HydrophobicContact CG2-CB 4.32Å
172C94.7Very high86.1Confident5 Ų548.3 Ų48.33%0.03423%0.234CC..EExtended strand (participates in β ladder)trans-123.6126.6177.2-1790000110L123 K125 D184 S217L123-C172 HydrophobicContact CD2-CB 3.96Å; K125-C172 HydrophobicContact CD-CB 4.39Å; K125-C172 HydrophobicContact CG-CB 4.32Å; C172-D184 WeakPolarHBondContact CA-O 3.47Å; C172-S217 WeakPolarHBondContact O-CB 3.47Å; C172-S217 PolarHBondContact O-OG 2.81Å
173L93.5Very high86.4Confident0 Ų047 Ų470%023%0.226CC..EExtended strand (participates in β ladder)trans-94.2126.4171.6-60.7177.6000108.1Y175 N183 D184 V186 Y222 F223L173-Y175 HydrophobicContact CB-CD1 4.2Å; L173-Y175 HydrophobicContact CB-CE1 4.32Å; L173-N183 CarbonylContact O-C 3.58Å; L173-N183 VanDerWaalsContact O-CA 3.22Å; L173-N183 WeakPolarHBondContact O-CA 3.48Å; L173-D184 HydrophobicContact CB-CB 4.43Å; L173-D184 PolarHBondContact N-O 3.2Å; L173-D184 PolarHBondContact O-N 3.09Å; L173-V186 HydrophobicContact CD1-CG2 3.61Å; L173-V186 HydrophobicContact CG-CG2 3.75Å; L173-Y222 WeakPolarHBondContact CD2-O 3.29Å; L173-F223 HydrophobicContact CD1-CD1 3.89Å; L173-F223 HydrophobicContact CD1-CE1 4.39Å; L173-F223 HydrophobicContact CD2-CB 4.03Å; L173-F223 HydrophobicContact CD2-CD1 4.27Å
174S89.7Confident86.8Confident29 Ų2947.1 Ų47.120%0.20323%0.226CC..EExtended strand (participates in β ladder)trans-122.1118.6174-60.20000107.7L182 N183S174-L182 WeakPolarHBondContact CA-O 3.24Å; S174-N183 WeakPolarHBondContact CB-OD1 3.18Å; S174-N183 PolarHBondContact OG-OD1 3.33Å
175Y87.6Confident87.6Confident10 Ų1047 Ų474%0.03923%0.225CC..EExtended strand (participates in β ladder)trans-150.2160.2-177.361.4-91.4000111.3L173 L182 D184 R198 E221 R237L173-Y175 HydrophobicContact CB-CD1 4.2Å; L173-Y175 HydrophobicContact CB-CE1 4.32Å; Y175-L182 HydrophobicContact CD2-CB 4.47Å; Y175-L182 HydrophobicContact CE2-CB 3.94Å; Y175-L182 HydrophobicContact CE2-CD1 3.78Å; Y175-L182 HydrophobicContact CE2-CG 4.46Å; Y175-L182 PolarHBondContact N-O 3.32Å; Y175-L182 VanDerWaalsContact N-O 3.08Å; Y175-L182 PolarHBondContact O-N 2.88Å; Y175-D184 WeakPolarHBondContact CE1-OD2 3.49Å; Y175-D184 PolarHBondContact OH-OD2 3.27Å; Y175-R198 PolarHBondContact OH-NH2 2.95Å; Y175-E221 HydrophobicContact CD1-CG 3.8Å; Y175-E221 HydrophobicContact CD2-CG 3.88Å; Y175-E221 WeakPolarHBondContact CD2-OE1 3.33Å; Y175-E221 HydrophobicContact CE1-CG 4.17Å; Y175-E221 HydrophobicContact CE2-CG 4.27Å; Y175-E221 WeakPolarHBondContact CE2-OE1 3.12Å; Y175-E221 HydrophobicContact CG-CG 3.63Å; Y175-R237 PolarHBondContact OH-NH2 3Å
176E82.8Confident88.1Confident121 Ų12146.5 Ų46.557%0.56522%0.223SC*.EExtended strand (participates in β ladder)trans-102.6129.5178.2-175170.8-158.500108.4Y181E176-Y181 HydrophobicContact CB-CD1 3.88Å; E176-Y181 HydrophobicContact CB-CE1 3.79Å; E176-Y181 HydrophobicContact CG-CD1 3.92Å; E176-Y181 HydrophobicContact CG-CE1 3.57Å; E176-Y181 WeakPolarHBondContact OE1-CE1 3.33Å; E176-Y181 PolarHBondContact OE1-OH 2.69Å
177N78Confident88.4Confident77 Ų7742.7 Ų42.741%0.41221%0.208SC..  trans-107.7167.2164.9-1236000108.3E179 E180 L182N177-E179 PolarHBondContact O-N 3.08Å; N177-E180 PolarHBondContact N-O 3.12Å; N177-E180 PolarHBondContact O-N 3.47Å; N177-L182 HydrophobicContact CB-CD1 4.1Å
178D73.4Confident88.5Confident173 Ų17342.7 Ų42.793%0.92521%0.208SC*.SBendtrans-52.7-21-173.6-67.2-34000115.2
179E69.8Low88.4Confident188 Ų18839.9 Ų39.988%0.87920%0.197SC*.SBendtrans-116.1-26.3-176.4-60.7-174.116600114.3N177N177-E179 PolarHBondContact O-N 3.08Å
180E79.4Confident88.2Confident128 Ų12841.4 Ų41.460%0.59820%0.204SC*.  trans-153.5152.3-170.4-67.1-172.6164.800114N177 L182N177-E180 PolarHBondContact N-O 3.12Å; N177-E180 PolarHBondContact O-N 3.47Å; E180-L182 HydrophobicContact CB-CD2 4.21Å; E180-L182 HydrophobicContact CB-CG 4.4Å
181Y79.5Confident87.7Confident68 Ų6841.9 Ų41.927%0.26721%0.206SC..EExtended strand (participates in β ladder)trans-83115.9166-69.5-69000109.8R130 Y131 E176R130-Y181 HydrophobicContact CB-CD2 3.9Å; R130-Y181 HydrophobicContact CB-CE2 4.01Å; R130-Y181 HydrophobicContact CB-CG 4.32Å; R130-Y181 HydrophobicContact CG-CE2 4.38Å; R130-Y181 VanDerWaalsContact O-CB 3.26Å; R130-Y181 WeakPolarHBondContact O-CB 3.46Å; R130-Y181 WeakPolarHBondContact O-CD2 3.18Å; Y131-Y181 HydrophobicContact CD1-CD1 4.1Å; Y131-Y181 HydrophobicContact CD1-CG 4.24Å; Y131-Y181 HydrophobicContact CD2-CD1 4.43Å; Y131-Y181 AromaticContact CE1-CD1 3.44Å; Y131-Y181 HydrophobicContact CE1-CD1 3.44Å; Y131-Y181 VanDerWaalsContact CE1-CD1 3.44Å; Y131-Y181 HydrophobicContact CE1-CE1 4.43Å; Y131-Y181 HydrophobicContact CE1-CG 4.03Å; Y131-Y181 AromaticContact CE2-CD1 3.86Å; Y131-Y181 HydrophobicContact CE2-CD1 3.86Å; Y131-Y181 HydrophobicContact CE2-CE1 4.3Å; Y131-Y181 HydrophobicContact CE2-CG 4.47Å; Y131-Y181 AromaticContact CZ-CD1 3.3Å; Y131-Y181 AromaticContact CZ-CE1 3.89Å; Y131-Y181 WeakPolarHBondContact OH-CD1 3.24Å; E176-Y181 HydrophobicContact CB-CD1 3.88Å; E176-Y181 HydrophobicContact CB-CE1 3.79Å; E176-Y181 HydrophobicContact CG-CD1 3.92Å; E176-Y181 HydrophobicContact CG-CE1 3.57Å; E176-Y181 WeakPolarHBondContact OE1-CE1 3.33Å; E176-Y181 PolarHBondContact OE1-OH 2.69Å
182L83.2Confident87.5Confident9 Ų945.4 Ų45.45%0.04722%0.219CC..EExtended strand (participates in β ladder)trans-111140.1-172.6-63.1169.3000110.4S174 Y175 N177 E180S174-L182 WeakPolarHBondContact CA-O 3.24Å; Y175-L182 HydrophobicContact CD2-CB 4.47Å; Y175-L182 HydrophobicContact CE2-CB 3.94Å; Y175-L182 HydrophobicContact CE2-CD1 3.78Å; Y175-L182 HydrophobicContact CE2-CG 4.46Å; Y175-L182 PolarHBondContact N-O 3.32Å; Y175-L182 VanDerWaalsContact N-O 3.08Å; Y175-L182 PolarHBondContact O-N 2.88Å; N177-L182 HydrophobicContact CB-CD1 4.1Å; E180-L182 HydrophobicContact CB-CD2 4.21Å; E180-L182 HydrophobicContact CB-CG 4.4Å
183N87.7Confident87.3Confident1 Ų145.4 Ų45.41%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-117.2127.9161.7-51-66.4000110F127 Y131 Q133 L173 S174F127-N183 HydrophobicContact CD1-CB 4.38Å; F127-N183 VanDerWaalsContact CD1-CG 3.49Å; F127-N183 VanDerWaalsContact CD1-ND2 3.29Å; F127-N183 WeakPolarHBondContact CD1-ND2 3.43Å; F127-N183 HydrophobicContact CE1-CB 3.67Å; F127-N183 WeakPolarHBondContact CE1-ND2 3.48Å; F127-N183 WeakPolarHBondContact CE1-OD1 3.48Å; F127-N183 HydrophobicContact CZ-CB 4.44Å; Y131-N183 PolarHBondContact O-ND2 3.25Å; Q133-N183 VanDerWaalsContact NE2-N 3.11Å; Q133-N183 PolarHBondContact NE2-O 3.08Å; Q133-N183 VanDerWaalsContact NE2-O 3.17Å; L173-N183 CarbonylContact O-C 3.58Å; L173-N183 VanDerWaalsContact O-CA 3.22Å; L173-N183 WeakPolarHBondContact O-CA 3.48Å; S174-N183 WeakPolarHBondContact CB-OD1 3.18Å; S174-N183 PolarHBondContact OG-OD1 3.33Å
184D91.8Very high87.4Confident2 Ų245.4 Ų45.41%0.01122%0.219CC..EExtended strand (participates in β ladder)trans-116.5131.2172.9-62-22.9000109.1C172 L173 Y175 I196 F197 R198C172-D184 WeakPolarHBondContact CA-O 3.47Å; L173-D184 HydrophobicContact CB-CB 4.43Å; L173-D184 PolarHBondContact N-O 3.2Å; L173-D184 PolarHBondContact O-N 3.09Å; Y175-D184 WeakPolarHBondContact CE1-OD2 3.49Å; Y175-D184 PolarHBondContact OH-OD2 3.27Å; D184-I196 HydrophobicContact CB-CG2 3.61Å; D184-F197 CarbonylContact C-O 3.56Å; D184-F197 WeakPolarHBondContact CA-O 3.44Å; D184-R198 IonicContact OD1-CZ 3.95Å; D184-R198 IonicContact OD1-NE 3.81Å; D184-R198 PolarHBondContact OD1-NE 3.11Å; D184-R198 IonicContact OD1-NH2 3.38Å; D184-R198 PolarHBondContact OD1-NH2 3.47Å; D184-R198 IonicContact OD2-NH2 2.76Å; D184-R198 PolarHBondContact OD2-NH2 2.99Å; D184-R198 VanDerWaalsContact OD2-NH2 3.09Å
185I94.2Very high87.5Confident3 Ų344.1 Ų44.12%0.01521%0.21CC..EExtended strand (participates in β ladder)trans-94.2117.2178.2-54156000107.5F141 L148 F159 I170 V187 F197F141-I185 HydrophobicContact CD1-CD1 3.91Å; F141-I185 HydrophobicContact CD1-CG1 4.38Å; F141-I185 HydrophobicContact CD1-CG2 4.48Å; F141-I185 HydrophobicContact CE1-CD1 3.23Å; F141-I185 HydrophobicContact CE1-CG1 3.8Å; F141-I185 HydrophobicContact CZ-CD1 3.85Å; F141-I185 HydrophobicContact CZ-CG1 4.01Å; L148-I185 HydrophobicContact CD2-CG2 3.99Å; F159-I185 HydrophobicContact CE1-CD1 4.32Å; F159-I185 HydrophobicContact CE2-CD1 4.36Å; F159-I185 HydrophobicContact CZ-CD1 3.88Å; I170-I185 HydrophobicContact CG2-CG2 3.77Å; I185-V187 HydrophobicContact CG2-CG2 4.15Å; I185-F197 HydrophobicContact CB-CB 4.31Å; I185-F197 PolarHBondContact N-O 2.65Å; I185-F197 PolarHBondContact O-N 2.82Å
186V96.3Very high87.8Confident0 Ų043.7 Ų43.70%021%0.208CC..EExtended strand (participates in β ladder)trans-99.4125.9179.7-173.50000108.6I170 T171 L173 I194 R195 I196 L215 F223I170-V186 CarbonylContact C-O 3.59Å; I170-V186 WeakPolarHBondContact CA-O 3.46Å; T171-V186 HydrophobicContact CG2-CB 3.73Å; T171-V186 HydrophobicContact CG2-CG1 4.41Å; T171-V186 HydrophobicContact CG2-CG2 4.25Å; T171-V186 PolarHBondContact N-O 2.9Å; T171-V186 PolarHBondContact O-N 2.96Å; L173-V186 HydrophobicContact CD1-CG2 3.61Å; L173-V186 HydrophobicContact CG-CG2 3.75Å; V186-I194 HydrophobicContact CG1-CG2 3.35Å; V186-R195 CarbonylContact C-O 3.59Å; V186-R195 WeakPolarHBondContact CA-O 3.04Å; V186-I196 HydrophobicContact CG1-CG1 4.31Å; V186-I196 HydrophobicContact CG2-CG1 4.16Å; V186-I196 HydrophobicContact CG2-CG2 4.35Å; V186-L215 HydrophobicContact CB-CD1 4.49Å; V186-L215 HydrophobicContact CG1-CD1 3.94Å; V186-L215 HydrophobicContact CG1-CD2 4.33Å; V186-F223 HydrophobicContact CG1-CD2 4.2Å; V186-F223 HydrophobicContact CG1-CE1 4.47Å; V186-F223 HydrophobicContact CG1-CE2 4.01Å; V186-F223 HydrophobicContact CG1-CZ 4.14Å; V186-F223 HydrophobicContact CG2-CD1 4.38Å
187V96Very high88.1Confident0 Ų037.9 Ų37.90%018%0.181CC..EExtended strand (participates in β ladder)trans-121.4128.9-173.7-179.30000109.4L148 I167 I185 I194 R195 F197L148-V187 HydrophobicContact CD1-CG2 4.38Å; L148-V187 HydrophobicContact CD2-CG2 3.85Å; I167-V187 HydrophobicContact CB-CG1 4.11Å; I167-V187 HydrophobicContact CD1-CG1 3.63Å; I167-V187 HydrophobicContact CG1-CG1 3.58Å; I167-V187 HydrophobicContact CG2-CG1 3.52Å; I185-V187 HydrophobicContact CG2-CG2 4.15Å; V187-I194 CarbonylContact O-C 3.42Å; V187-I194 VanDerWaalsContact O-CA 3.27Å; V187-I194 WeakPolarHBondContact O-CA 3.32Å; V187-R195 PolarHBondContact N-O 2.87Å; V187-R195 PolarHBondContact O-N 3.35Å; V187-F197 HydrophobicContact CB-CD2 4.32Å; V187-F197 HydrophobicContact CB-CE2 4.02Å; V187-F197 HydrophobicContact CG2-CD2 3.69Å; V187-F197 HydrophobicContact CG2-CE2 3.72Å
188G96.3Very high88.5Confident0 Ų037.3 Ų37.30%017%0.173CC..EExtended strand (participates in β ladder)trans-107.1126174.300000111Y168 A169 L215Y168-G188 PolarHBondContact N-O 2.93Å; A169-G188 PolarHBondContact N-O 3.32Å; A169-G188 PolarHBondContact O-N 3.48Å; G188-L215 VanDerWaalsContact N-CD1 3.32Å
189S93.1Very high88.8Confident0 Ų032.2 Ų32.20%015%0.146CC..EExtended strand (participates in β ladder)trans-115.9162-172.4-690000113.3R166 D191 Y192 T193 R195 V212R166-S189 CarbonylContact O-C 3.49Å; R166-S189 VanDerWaalsContact O-CA 3.25Å; R166-S189 WeakPolarHBondContact O-CA 3.47Å; S189-D191 WeakPolarHBondContact CB-OD1 3.19Å; S189-D191 PolarHBondContact O-N 3.36Å; S189-Y192 PolarHBondContact O-N 3Å; S189-T193 PolarHBondContact N-O 3.22Å; S189-R195 PolarHBondContact OG-NH1 3.25Å; S189-V212 PolarHBondContact O-N 3.37Å
190E91.9Very high89.2Confident37 Ų3727.7 Ų27.717%0.17313%0.125CC..THydrogen-bonded Turntrans-66.2-22.2177.1-173.6153.1-140.100113D165 R166 Y168 Y192 R228D165-E190 HydrophobicContact CB-CB 4.38Å; R166-E190 HydrophobicContact CB-CB 4.16Å; R166-E190 WeakPolarHBondContact CD-OE2 3.41Å; R166-E190 IonicContact NH1-OE2 2.9Å; R166-E190 PolarHBondContact NH1-OE2 3.43Å; R166-E190 PolarHBondContact O-N 3.48Å; Y168-E190 HydrophobicContact CD2-CB 4.08Å; Y168-E190 HydrophobicContact CE2-CB 3.47Å; Y168-E190 VanDerWaalsContact CE2-CB 3.47Å; Y168-E190 HydrophobicContact CE2-CG 3.73Å; Y168-E190 PolarHBondContact OH-OE1 3.03Å; Y168-E190 VanDerWaalsContact OH-OE1 3.04Å; Y168-E190 PolarHBondContact OH-OE2 3.32Å; Y168-E190 VanDerWaalsContact OH-OE2 3.14Å; E190-Y192 WeakPolarHBondContact O-CD1 3.48Å; E190-Y192 VanDerWaalsContact O-CE1 3.29Å; E190-Y192 WeakPolarHBondContact O-CE1 3.3Å; E190-Y192 PolarHBondContact O-N 3.49Å; E190-R228 IonicContact OE1-CZ 3.29Å; E190-R228 IonicContact OE1-NH1 3.45Å; E190-R228 PolarHBondContact OE1-NH1 3.39Å; E190-R228 IonicContact OE1-NH2 2.75Å; E190-R228 PolarHBondContact OE1-NH2 2.82Å
191D87.7Confident89Confident20 Ų2025.8 Ų25.811%0.10712%0.118CC..THydrogen-bonded Turntrans-75.56.2177.672-20000114.3S164 D165 S189 T193 R195 R448S164-D191 PolarHBondContact OG-OD2 3.01Å; D165-D191 HydrophobicContact CB-CB 3.88Å; S189-D191 WeakPolarHBondContact CB-OD1 3.19Å; S189-D191 PolarHBondContact O-N 3.36Å; D191-T193 PolarHBondContact OD1-N 3.05Å; D191-T193 VanDerWaalsContact OD1-N 3.11Å; D191-T193 PolarHBondContact OD1-OG1 3.08Å; D191-T193 WeakPolarHBondContact OD2-CG2 3.27Å; D191-T193 PolarHBondContact OD2-OG1 3.04Å; D191-R195 IonicContact OD1-NH1 3.3Å; D191-R195 IonicContact OD2-CZ 2.84Å; D191-R195 IonicContact OD2-NH1 3.98Å; D191-R195 PolarHBondContact OD2-NH1 3.38Å; D191-R195 IonicContact OD2-NH2 3.62Å; D191-R195 PolarHBondContact OD2-NH2 2.9Å; D191-R448 VanDerWaalsContact O-CZ 3.32Å; D191-R448 PolarHBondContact O-NH1 2.9Å; D191-R448 PolarHBondContact O-NH2 2.85Å
192Y90.5Very high89.2Confident82 Ų8224.3 Ų24.332%0.32211%0.114SC..SBendtrans75.122.3179.7-38.3-24.1000113.4S189 E190 E208 A211 R448S189-Y192 PolarHBondContact O-N 3Å; E190-Y192 WeakPolarHBondContact O-CD1 3.48Å; E190-Y192 VanDerWaalsContact O-CE1 3.29Å; E190-Y192 WeakPolarHBondContact O-CE1 3.3Å; E190-Y192 PolarHBondContact O-N 3.49Å; Y192-E208 WeakPolarHBondContact CB-O 3.06Å; Y192-E208 WeakPolarHBondContact O-CA 3.3Å; Y192-E208 PolarHBondContact O-N 3Å; Y192-A211 HydrophobicContact CD1-CB 4.25Å; Y192-A211 HydrophobicContact CE1-CB 4.34Å; Y192-R448 VanDerWaalsContact CD2-CZ 3.47Å
193T90.8Very high89.3Confident5 Ų526.3 Ų26.33%0.03113%0.125CC..EExtended strand (participates in β ladder)trans-111.9148.8179.265.50000111.8S189 D191 R195 I206S189-T193 PolarHBondContact N-O 3.22Å; D191-T193 PolarHBondContact OD1-N 3.05Å; D191-T193 VanDerWaalsContact OD1-N 3.11Å; D191-T193 PolarHBondContact OD1-OG1 3.08Å; D191-T193 WeakPolarHBondContact OD2-CG2 3.27Å; D191-T193 PolarHBondContact OD2-OG1 3.04Å; T193-R195 PolarHBondContact OG1-NH1 2.85Å; T193-R195 PolarHBondContact OG1-NH2 2.94Å; T193-I206 CarbonylContact C-O 3.58Å; T193-I206 VanDerWaalsContact CA-O 3.31Å; T193-I206 WeakPolarHBondContact CA-O 3.44Å
194I95.3Very high89.2Confident0 Ų029 Ų290%014%0.137CC..EExtended strand (participates in β ladder)trans-111.6116.8166.7-54.3176.1000106.8V186 V187 E205 I206 E208 V212 L215 F223 Y225 Y235V186-I194 HydrophobicContact CG1-CG2 3.35Å; V187-I194 CarbonylContact O-C 3.42Å; V187-I194 VanDerWaalsContact O-CA 3.27Å; V187-I194 WeakPolarHBondContact O-CA 3.32Å; I194-E205 WeakPolarHBondContact O-CA 3.33Å; I194-I206 HydrophobicContact CB-CB 4.23Å; I194-I206 PolarHBondContact N-O 2.96Å; I194-I206 PolarHBondContact O-N 2.85Å; I194-E208 HydrophobicContact CD1-CG 4.12Å; I194-V212 HydrophobicContact CD1-CG1 4.28Å; I194-V212 HydrophobicContact CD1-CG2 4.15Å; I194-V212 HydrophobicContact CG1-CB 4.37Å; I194-V212 HydrophobicContact CG1-CG1 4.08Å; I194-V212 HydrophobicContact CG1-CG2 3.59Å; I194-L215 HydrophobicContact CD1-CD2 4.43Å; I194-F223 HydrophobicContact CD1-CE2 4.21Å; I194-F223 HydrophobicContact CG2-CE2 4.05Å; I194-F223 HydrophobicContact CG2-CZ 4.25Å; I194-Y225 HydrophobicContact CD1-CD2 4.34Å; I194-Y225 HydrophobicContact CD1-CG 4.22Å; I194-Y235 HydrophobicContact CD1-CD2 4.5Å; I194-Y235 HydrophobicContact CD1-CE2 4.29Å
195R92.7Very high89Confident2 Ų232.2 Ų32.21%0.00815%0.152CC..EExtended strand (participates in β ladder)trans-106130.8177-67.2-179-172.9749.8109.6S164 V186 V187 S189 D191 T193 F197 H204 E205 E713S164-R195 PolarHBondContact OG-NH1 2.82Å; S164-R195 PolarHBondContact OG-NH2 3.28Å; V186-R195 CarbonylContact C-O 3.59Å; V186-R195 WeakPolarHBondContact CA-O 3.04Å; V187-R195 PolarHBondContact N-O 2.87Å; V187-R195 PolarHBondContact O-N 3.35Å; S189-R195 PolarHBondContact OG-NH1 3.25Å; D191-R195 IonicContact OD1-NH1 3.3Å; D191-R195 IonicContact OD2-CZ 2.84Å; D191-R195 IonicContact OD2-NH1 3.98Å; D191-R195 PolarHBondContact OD2-NH1 3.38Å; D191-R195 IonicContact OD2-NH2 3.62Å; D191-R195 PolarHBondContact OD2-NH2 2.9Å; T193-R195 PolarHBondContact OG1-NH1 2.85Å; T193-R195 PolarHBondContact OG1-NH2 2.94Å; R195-F197 HydrophobicContact CB-CD2 4.14Å; R195-F197 HydrophobicContact CB-CE2 3.52Å; R195-F197 HydrophobicContact CB-CZ 4.11Å; R195-H204 WeakPolarHBondContact CA-O 3.45Å; R195-E205 HydrophobicContact CG-CG 4.2Å; R195-E205 IonicContact NH2-OE1 2.64Å; R195-E713 IonicContact CZ-OE1 3.16Å; R195-E713 IonicContact CZ-OE2 3.8Å; R195-E713 IonicContact NE-OE1 2.76Å; R195-E713 PolarHBondContact NE-OE1 3.11Å; R195-E713 IonicContact NE-OE2 2.93Å; R195-E713 IonicContact NH2-OE1 3.8Å; R195-E713 PolarHBondContact NH2-OE1 3.24Å; R195-E713 IonicContact NH2-OE2 3.18Å; R195-E713 PolarHBondContact NH2-OE2 2.92Å
196I93.3Very high88.9Confident1 Ų132.7 Ų32.71%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-103.9111.2175.2-54.4-173.9000107.3D184 V186 I203 H204 F223D184-I196 HydrophobicContact CB-CG2 3.61Å; V186-I196 HydrophobicContact CG1-CG1 4.31Å; V186-I196 HydrophobicContact CG2-CG1 4.16Å; V186-I196 HydrophobicContact CG2-CG2 4.35Å; I196-I203 PolarHBondContact O-N 3.02Å; I196-H204 HydrophobicContact CB-CB 4.13Å; I196-H204 HydrophobicContact CD1-CB 4.12Å; I196-H204 HydrophobicContact CG1-CB 4.21Å; I196-H204 PolarHBondContact N-O 2.7Å; I196-H204 PolarHBondContact O-N 3.29Å; I196-F223 HydrophobicContact CD1-CE1 4.05Å; I196-F223 HydrophobicContact CD1-CZ 4.36Å
197F90Very high88.5Confident0 Ų035.3 Ų35.30%017%0.173CC..EExtended strand (participates in β ladder)trans-97.6141.5178.6-67.4-94.3000111.1L148 T161 T163 D184 I185 V187 R195 L201 I202 F725L148-F197 HydrophobicContact CD2-CD2 4.31Å; T161-F197 HydrophobicContact CG2-CD1 4.04Å; T161-F197 HydrophobicContact CG2-CE1 3.68Å; T161-F197 HydrophobicContact CG2-CZ 4.12Å; T163-F197 HydrophobicContact CG2-CE2 4.45Å; T163-F197 HydrophobicContact CG2-CZ 4.09Å; D184-F197 CarbonylContact C-O 3.56Å; D184-F197 WeakPolarHBondContact CA-O 3.44Å; I185-F197 HydrophobicContact CB-CB 4.31Å; I185-F197 PolarHBondContact N-O 2.65Å; I185-F197 PolarHBondContact O-N 2.82Å; V187-F197 HydrophobicContact CB-CD2 4.32Å; V187-F197 HydrophobicContact CB-CE2 4.02Å; V187-F197 HydrophobicContact CG2-CD2 3.69Å; V187-F197 HydrophobicContact CG2-CE2 3.72Å; R195-F197 HydrophobicContact CB-CD2 4.14Å; R195-F197 HydrophobicContact CB-CE2 3.52Å; R195-F197 HydrophobicContact CB-CZ 4.11Å; F197-L201 CarbonylContact C-O 3.53Å; F197-L201 WeakPolarHBondContact CA-O 3.31Å; F197-I202 HydrophobicContact CD1-CG1 3.62Å; F197-I202 HydrophobicContact CE1-CB 4.47Å; F197-I202 HydrophobicContact CE1-CD1 3.87Å; F197-I202 HydrophobicContact CE1-CG1 3.18Å; F197-I202 HydrophobicContact CE2-CG1 4.38Å; F197-I202 HydrophobicContact CG-CG1 4.39Å; F197-I202 HydrophobicContact CZ-CD1 4.03Å; F197-I202 HydrophobicContact CZ-CG1 3.61Å; F197-F725 HydrophobicContact CE1-CZ 4.36Å
198R86.1Confident88.2Confident65 Ų6535.7 Ų35.725%0.24517%0.174CC..EExtended strand (participates in β ladder)trans-119.2114.8160.1177.6173.8-60162.112.7107.8Y175 D184 E200 L201 I203Y175-R198 PolarHBondContact OH-NH2 2.95Å; D184-R198 IonicContact OD1-CZ 3.95Å; D184-R198 IonicContact OD1-NE 3.81Å; D184-R198 PolarHBondContact OD1-NE 3.11Å; D184-R198 IonicContact OD1-NH2 3.38Å; D184-R198 PolarHBondContact OD1-NH2 3.47Å; D184-R198 IonicContact OD2-NH2 2.76Å; D184-R198 PolarHBondContact OD2-NH2 2.99Å; D184-R198 VanDerWaalsContact OD2-NH2 3.09Å; R198-E200 PolarHBondContact O-N 3.43Å; R198-L201 PolarHBondContact N-O 2.79Å; R198-L201 WeakPolarHBondContact O-CB 3.24Å; R198-L201 PolarHBondContact O-N 3.28Å; R198-I203 HydrophobicContact CB-CD1 3.25Å; R198-I203 HydrophobicContact CB-CG1 3.81Å; R198-I203 HydrophobicContact CG-CD1 4.22Å; R198-I203 VanDerWaalsContact CZ-CD1 3.41Å
199N79.5Confident87.7Confident66 Ų6637.3 Ų37.335%0.35319%0.185SC..THydrogen-bonded Turntrans54.4-118.3-166-53.6-28.9000110.2Q133Q133-N199 PolarHBondContact OE1-OD1 3.14Å
200E77.4Confident87.6Confident93 Ų9338.7 Ų38.744%0.43519%0.192SC..THydrogen-bonded Turntrans-92.1-6.2178.3-62.1-179.2172.600112.7F159 R198 F725F159-E200 HydrophobicContact CB-CG 4.3Å; R198-E200 PolarHBondContact O-N 3.43Å; E200-F725 WeakPolarHBondContact O-CD1 3.35Å; E200-F725 WeakPolarHBondContact O-CE1 3.12Å; E200-F725 VanDerWaalsContact O-CZ 3.31Å; E200-F725 WeakPolarHBondContact O-CZ 3.46Å
201L76.8Confident87.6Confident88 Ų8837 Ų3746%0.46118%0.184SC..EExtended strand (participates in β ladder)trans-95.7131.9-172.2-57.6175000112.1F197 R198 I203 F725F197-L201 CarbonylContact C-O 3.53Å; F197-L201 WeakPolarHBondContact CA-O 3.31Å; R198-L201 PolarHBondContact N-O 2.79Å; R198-L201 WeakPolarHBondContact O-CB 3.24Å; R198-L201 PolarHBondContact O-N 3.28Å; L201-I203 PolarHBondContact O-N 2.78Å; L201-F725 HydrophobicContact CB-CD2 4.46Å; L201-F725 HydrophobicContact CD2-CB 3.43Å; L201-F725 VanDerWaalsContact CD2-CB 3.43Å; L201-F725 HydrophobicContact CD2-CD2 3.8Å; L201-F725 HydrophobicContact CD2-CG 3.63Å
202I82.4Confident88Confident36 Ų3636 Ų3619%0.18518%0.179CC..EExtended strand (participates in β ladder)trans-76.8119.1166.8-62.3160.8000108.6F197 F725F197-I202 HydrophobicContact CD1-CG1 3.62Å; F197-I202 HydrophobicContact CE1-CB 4.47Å; F197-I202 HydrophobicContact CE1-CD1 3.87Å; F197-I202 HydrophobicContact CE1-CG1 3.18Å; F197-I202 HydrophobicContact CE2-CG1 4.38Å; F197-I202 HydrophobicContact CG-CG1 4.39Å; F197-I202 HydrophobicContact CZ-CD1 4.03Å; F197-I202 HydrophobicContact CZ-CG1 3.61Å; I202-F725 HydrophobicContact CB-CE2 3.8Å; I202-F725 HydrophobicContact CB-CZ 4.17Å; I202-F725 HydrophobicContact CD1-CE2 3.91Å; I202-F725 HydrophobicContact CD1-CZ 3.6Å; I202-F725 HydrophobicContact CG1-CE2 3.74Å; I202-F725 HydrophobicContact CG1-CZ 3.57Å
203I85Confident88.3Confident52 Ų5233.2 Ų33.227%0.26717%0.169SC..EExtended strand (participates in β ladder)trans-86.8-45.8173.7-56.1175.9000110.3I196 R198 L201I196-I203 PolarHBondContact O-N 3.02Å; R198-I203 HydrophobicContact CB-CD1 3.25Å; R198-I203 HydrophobicContact CB-CG1 3.81Å; R198-I203 HydrophobicContact CG-CD1 4.22Å; R198-I203 VanDerWaalsContact CZ-CD1 3.41Å; L201-I203 PolarHBondContact O-N 2.78Å
204H86.5Confident88.6Confident58 Ų5834.4 Ų34.427%0.26917%0.174SC..EExtended strand (participates in β ladder)trans-138.8146.1-174.5-62.6-52.5000111R195 I196 V238R195-H204 WeakPolarHBondContact CA-O 3.45Å; I196-H204 HydrophobicContact CB-CB 4.13Å; I196-H204 HydrophobicContact CD1-CB 4.12Å; I196-H204 HydrophobicContact CG1-CB 4.21Å; I196-H204 PolarHBondContact N-O 2.7Å; I196-H204 PolarHBondContact O-N 3.29Å; H204-V238 HydrophobicContact CB-CG2 3.88Å; H204-V238 VanDerWaalsContact CG-CG2 3.42Å
205E88Confident88.7Confident69 Ų6935.3 Ų35.332%0.32218%0.178SC..EExtended strand (participates in β ladder)trans-130.7126.1173.2-173.3-176.4169.800108.7I194 R195I194-E205 WeakPolarHBondContact O-CA 3.33Å; R195-E205 HydrophobicContact CG-CG 4.2Å; R195-E205 IonicContact NH2-OE1 2.64Å
206I90.6Very high88.9Confident13 Ų1336.6 Ų36.67%0.06719%0.185CC..EExtended strand (participates in β ladder)trans-119.8123.1-177.7-53.9166.9000107.6T193 I194 F223 Y235 R237 V238T193-I206 CarbonylContact C-O 3.58Å; T193-I206 VanDerWaalsContact CA-O 3.31Å; T193-I206 WeakPolarHBondContact CA-O 3.44Å; I194-I206 HydrophobicContact CB-CB 4.23Å; I194-I206 PolarHBondContact N-O 2.96Å; I194-I206 PolarHBondContact O-N 2.85Å; I206-F223 HydrophobicContact CD1-CZ 4.1Å; I206-Y235 HydrophobicContact CD1-CD1 4.19Å; I206-Y235 HydrophobicContact CD1-CE1 4.24Å; I206-Y235 HydrophobicContact CD1-CG 4.45Å; I206-Y235 HydrophobicContact CG2-CE1 4.06Å; I206-Y235 HydrophobicContact CG2-CE2 4.32Å; I206-Y235 WeakPolarHBondContact CG2-OH 3.44Å; I206-R237 VanDerWaalsContact CD1-O 3.29Å; I206-R237 WeakPolarHBondContact CD1-O 3.34Å; I206-V238 HydrophobicContact CG1-CG1 4.33Å
207S88.1Confident89Confident54 Ų5437.9 Ų37.938%0.37820%0.195SC..EExtended strand (participates in β ladder)trans-88.8128.5174.3-48.60000110.8
208E90.6Very high89.3Confident8 Ų837.9 Ų37.94%0.03720%0.195CC..  trans-110.3179173-77.5-63158.100111.4Y192 I194 V212 Y225 L227 Y235 R240Y192-E208 WeakPolarHBondContact CB-O 3.06Å; Y192-E208 WeakPolarHBondContact O-CA 3.3Å; Y192-E208 PolarHBondContact O-N 3Å; I194-E208 HydrophobicContact CD1-CG 4.12Å; E208-V212 HydrophobicContact CB-CG2 4.43Å; E208-Y225 HydrophobicContact CG-CD2 4.46Å; E208-Y225 HydrophobicContact CG-CE2 4.12Å; E208-Y225 PolarHBondContact OE1-OH 2.87Å; E208-L227 HydrophobicContact CB-CD1 4.14Å; E208-L227 HydrophobicContact CB-CD2 4.02Å; E208-L227 HydrophobicContact CG-CD2 4.18Å; E208-Y235 VanDerWaalsContact OE1-CE2 3.24Å; E208-Y235 WeakPolarHBondContact OE1-CE2 3.47Å; E208-Y235 VanDerWaalsContact OE1-CZ 3.27Å; E208-Y235 PolarHBondContact OE1-OH 3.1Å; E208-R240 VanDerWaalsContact CD-NH1 3.35Å; E208-R240 IonicContact OE1-CZ 2.81Å; E208-R240 IonicContact OE1-NH1 3.1Å; E208-R240 PolarHBondContact OE1-NH1 2.8Å; E208-R240 IonicContact OE1-NH2 2.79Å; E208-R240 PolarHBondContact OE1-NH2 3.39Å; E208-R240 IonicContact OE2-CZ 3.75Å; E208-R240 IonicContact OE2-NH1 3.19Å; E208-R240 PolarHBondContact OE2-NH1 3.32Å; E208-R240 IonicContact OE2-NH2 3.41Å
209T86.4Confident89.6Confident35 Ų3536.2 Ų36.222%0.21520%0.198CC..SBendtrans-91.7-16.1-170.160.20000114L227 N229 E418T209-L227 WeakPolarHBondContact OG1-CD1 3.19Å; T209-N229 PolarHBondContact OG1-ND2 2.91Å; T209-E418 HydrophobicContact CG2-CB 3.51Å; T209-E418 HydrophobicContact CG2-CG 4.17Å; T209-E418 WeakPolarHBondContact CG2-OE2 3.36Å
210D89.8Confident90.1Very high29 Ų2934.7 Ų34.716%0.15520%0.197CC..SBendtrans-157.4173.8-179-165.37.6000109.6V212 L227 R228 N229D210-V212 PolarHBondContact O-N 2.66Å; D210-L227 HydrophobicContact CB-CB 4.4Å; D210-R228 WeakPolarHBondContact OD2-CB 3.35Å; D210-N229 HydrophobicContact CB-CB 4.19Å; D210-N229 VanDerWaalsContact OD2-CB 3.24Å; D210-N229 WeakPolarHBondContact OD2-CB 3.21Å; D210-N229 PolarHBondContact OD2-N 3.38Å
211A92.9Very high90.8Very high0 Ų032.3 Ų32.30%019%0.186CC..  trans-59.7131.6-176.300000111.7Y192 I213 L227 R228Y192-A211 HydrophobicContact CD1-CB 4.25Å; Y192-A211 HydrophobicContact CE1-CB 4.34Å; A211-I213 PolarHBondContact O-N 2.92Å; A211-L227 WeakPolarHBondContact O-CA 3.14Å; A211-R228 HydrophobicContact CB-CB 4.36Å; A211-R228 PolarHBondContact O-N 3.08Å
212V96.3Very high91.7Very high0 Ų031.1 Ų31.10%018%0.176CC..EExtended strand (participates in β ladder)trans-83.8104.2-179-176.50000108.1Y168 S189 I194 E208 D210 L215 L227Y168-V212 WeakPolarHBondContact CB-O 3.42Å; S189-V212 PolarHBondContact O-N 3.37Å; I194-V212 HydrophobicContact CD1-CG1 4.28Å; I194-V212 HydrophobicContact CD1-CG2 4.15Å; I194-V212 HydrophobicContact CG1-CB 4.37Å; I194-V212 HydrophobicContact CG1-CG1 4.08Å; I194-V212 HydrophobicContact CG1-CG2 3.59Å; E208-V212 HydrophobicContact CB-CG2 4.43Å; D210-V212 PolarHBondContact O-N 2.66Å; V212-L215 HydrophobicContact CG1-CD1 4.48Å; V212-L215 HydrophobicContact CG1-CD2 4.09Å; V212-L215 HydrophobicContact CG1-CG 4.06Å; V212-L227 HydrophobicContact CB-CD2 4.25Å; V212-L227 HydrophobicContact CG2-CD2 3.7Å
213I95.9Very high92.4Very high23 Ų2329.4 Ų29.412%0.11817%0.167CC..EExtended strand (participates in β ladder)trans-98.6-19.6-173.255.8164.2000113.4A211 G226 R228 P250A211-I213 PolarHBondContact O-N 2.92Å; I213-G226 VanDerWaalsContact CG1-O 3.3Å; I213-G226 WeakPolarHBondContact CG1-O 3.41Å; I213-G226 PolarHBondContact N-O 2.88Å; I213-R228 HydrophobicContact CG2-CB 4.01Å; I213-P250 HydrophobicContact CD1-CG 4.07Å
214K96.6Very high93.1Very high31 Ų3127 Ų2714%0.13515%0.154CC..EExtended strand (participates in β ladder)trans-139.6139.8-178.9-61.7-67.2146-1730111.2E18 Y225 G226 I251 F253E18-K214 WeakPolarHBondContact OE1-CE 3.42Å; E18-K214 IonicContact OE1-NZ 2.72Å; E18-K214 PolarHBondContact OE1-NZ 2.9Å; E18-K214 VanDerWaalsContact OE1-NZ 3.13Å; E18-K214 IonicContact OE2-NZ 3.76Å; E18-K214 PolarHBondContact OE2-NZ 3.15Å; K214-Y225 CarbonylContact O-C 3.57Å; K214-Y225 WeakPolarHBondContact O-CA 3.36Å; K214-G226 PolarHBondContact N-O 3.25Å; K214-G226 VanDerWaalsContact N-O 3.16Å; K214-G226 PolarHBondContact O-N 2.64Å; K214-I251 WeakPolarHBondContact CD-O 3.24Å; K214-I251 WeakPolarHBondContact CE-O 3.46Å; K214-I251 PolarHBondContact NZ-O 3.09Å; K214-F253 HydrophobicContact CB-CD2 3.58Å; K214-F253 HydrophobicContact CB-CE1 4.43Å; K214-F253 HydrophobicContact CB-CE2 3.4Å; K214-F253 HydrophobicContact CB-CG 4.19Å; K214-F253 HydrophobicContact CB-CZ 3.87Å
215L97.7Very high93.6Very high18 Ų1824.2 Ų24.29%0.09414%0.142CC..EExtended strand (participates in β ladder)trans-140.6145.1172.5-72.3171.6000108.7A169 T171 V186 G188 I194 V212 F223 G224A169-L215 HydrophobicContact CB-CB 3.88Å; A169-L215 HydrophobicContact CB-CD1 3.9Å; A169-L215 HydrophobicContact CB-CG 3.74Å; T171-L215 HydrophobicContact CG2-CB 3.8Å; V186-L215 HydrophobicContact CB-CD1 4.49Å; V186-L215 HydrophobicContact CG1-CD1 3.94Å; V186-L215 HydrophobicContact CG1-CD2 4.33Å; G188-L215 VanDerWaalsContact N-CD1 3.32Å; I194-L215 HydrophobicContact CD1-CD2 4.43Å; V212-L215 HydrophobicContact CG1-CD1 4.48Å; V212-L215 HydrophobicContact CG1-CD2 4.09Å; V212-L215 HydrophobicContact CG1-CG 4.06Å; L215-F223 HydrophobicContact CD2-CD2 3.86Å; L215-F223 HydrophobicContact CD2-CE2 4.17Å; L215-G224 WeakPolarHBondContact CA-O 3.27Å
216I97.1Very high94Very high29 Ų2920.9 Ų20.915%0.14913%0.126CC..EExtended strand (participates in β ladder)trans-151.4141.8172.1-163.9157000110.8L218 F223 G224 F253 V254 S255 L266I216-L218 HydrophobicContact CG2-CD2 4.21Å; I216-F223 CarbonylContact O-C 3.53Å; I216-F223 WeakPolarHBondContact O-CA 3.4Å; I216-F223 VanDerWaalsContact O-CB 3.28Å; I216-F223 WeakPolarHBondContact O-CB 3.5Å; I216-G224 PolarHBondContact N-O 2.81Å; I216-G224 PolarHBondContact O-N 2.91Å; I216-F253 HydrophobicContact CB-CB 4.01Å; I216-F253 HydrophobicContact CB-CD2 4.26Å; I216-F253 HydrophobicContact CD1-CB 3.94Å; I216-F253 WeakPolarHBondContact CD1-O 3.04Å; I216-F253 HydrophobicContact CG2-CB 3.87Å; I216-F253 HydrophobicContact CG2-CD2 3.87Å; I216-F253 HydrophobicContact CG2-CG 4.25Å; I216-V254 VanDerWaalsContact CD1-C 3.49Å; I216-V254 VanDerWaalsContact CD1-CA 3.47Å; I216-S255 VanDerWaalsContact CD1-N 3.27Å; I216-L266 HydrophobicContact CG2-CD1 3.53Å
217S96.4Very high94.3Very high29 Ų2920.3 Ų20.320%0.20312%0.123CC..EExtended strand (participates in β ladder)trans-74.9133.1173.2-176.30000109.8T171 C172 S255T171-S217 PolarHBondContact OG1-N 3.27Å; C172-S217 WeakPolarHBondContact O-CB 3.47Å; C172-S217 PolarHBondContact O-OG 2.81Å; S217-S255 WeakPolarHBondContact O-CB 3.45Å; S217-S255 PolarHBondContact O-OG 2.92Å
218L95.8Very high94.5Very high0 Ų021.7 Ų21.70%012%0.12CC..  trans-110.526.8175.7-60.9173000111I216 Y222 V234 P264 L266 R280I216-L218 HydrophobicContact CG2-CD2 4.21Å; L218-Y222 PolarHBondContact N-O 3.19Å; L218-V234 HydrophobicContact CD1-CB 4.38Å; L218-V234 HydrophobicContact CD1-CG1 3.87Å; L218-V234 HydrophobicContact CD1-CG2 3.54Å; L218-P264 VanDerWaalsContact C-CG 3.47Å; L218-P264 HydrophobicContact CB-CG 4.49Å; L218-P264 WeakPolarHBondContact O-CG 3.25Å; L218-L266 HydrophobicContact CD1-CB 4.19Å; L218-L266 HydrophobicContact CD2-CB 4.14Å; L218-L266 HydrophobicContact CD2-CD1 4.41Å; L218-R280 HydrophobicContact CD1-CB 4.04Å; L218-R280 PolarHBondContact O-NH1 3.39Å
219G91.2Very high94.5Very high30 Ų3023.6 Ų23.631%0.30913%0.131SC..SBendtrans78.9146.9-17900000113.7E221 Y222G219-E221 PolarHBondContact O-N 2.9Å; G219-Y222 WeakPolarHBondContact O-CD2 3.2Å; G219-Y222 PolarHBondContact O-N 2.79Å
220G90.1Very high94.8Very high33 Ų3322 Ų2234%0.3412%0.121SC..THydrogen-bonded Turntrans59.3-126.9-175.100000111.3
221E92.7Very high95Very high44 Ų4420.7 Ų20.721%0.20611%0.114CC..THydrogen-bonded Turntrans-94.53.1-177.7-56.5-171160.300114.1Y175 G219 N236 R237Y175-E221 HydrophobicContact CD1-CG 3.8Å; Y175-E221 HydrophobicContact CD2-CG 3.88Å; Y175-E221 WeakPolarHBondContact CD2-OE1 3.33Å; Y175-E221 HydrophobicContact CE1-CG 4.17Å; Y175-E221 HydrophobicContact CE2-CG 4.27Å; Y175-E221 WeakPolarHBondContact CE2-OE1 3.12Å; Y175-E221 HydrophobicContact CG-CG 3.63Å; G219-E221 PolarHBondContact O-N 2.9Å; E221-N236 VanDerWaalsContact CB-OD1 3.31Å; E221-N236 WeakPolarHBondContact CB-OD1 3.36Å; E221-N236 PolarHBondContact OE2-OD1 2.84Å; E221-R237 HydrophobicContact CB-CG 3.93Å; E221-R237 HydrophobicContact CG-CG 4.43Å; E221-R237 PolarHBondContact O-N 2.92Å; E221-R237 VanDerWaalsContact O-N 3.14Å; E221-R237 IonicContact OE1-CZ 3.8Å; E221-R237 IonicContact OE1-NE 3.9Å; E221-R237 PolarHBondContact OE1-NE 3.49Å; E221-R237 IonicContact OE1-NH2 3.32Å; E221-R237 PolarHBondContact OE1-NH2 3.46Å; E221-R237 IonicContact OE2-CZ 3.74Å; E221-R237 IonicContact OE2-NE 3.21Å; E221-R237 PolarHBondContact OE2-NE 3.1Å
222Y96.4Very high95.2Very high63 Ų6320.7 Ų20.725%0.24711%0.114CC..EExtended strand (participates in β ladder)trans-91.8135-173.4-62.1-98000111L173 L218 G219 V234 Y235 N236 L241L173-Y222 WeakPolarHBondContact CD2-O 3.29Å; L218-Y222 PolarHBondContact N-O 3.19Å; G219-Y222 WeakPolarHBondContact O-CD2 3.2Å; G219-Y222 PolarHBondContact O-N 2.79Å; Y222-V234 HydrophobicContact CD1-CG1 4.39Å; Y222-Y235 VanDerWaalsContact CA-O 3.31Å; Y222-Y235 WeakPolarHBondContact CA-O 3.26Å; Y222-N236 HydrophobicContact CD1-CB 3.92Å; Y222-N236 HydrophobicContact CE1-CB 3.75Å; Y222-L241 HydrophobicContact CD1-CD1 3.66Å; Y222-L241 HydrophobicContact CE1-CD1 3.53Å
223F97.6Very high95.3Very high0 Ų020.7 Ų20.70%011%0.114CC..EExtended strand (participates in β ladder)trans-137.3142.416960.3-83.1000112.2T171 L173 V186 I194 I196 I206 L215 I216 V234 Y235 R237T171-F223 HydrophobicContact CG2-CB 4.32Å; L173-F223 HydrophobicContact CD1-CD1 3.89Å; L173-F223 HydrophobicContact CD1-CE1 4.39Å; L173-F223 HydrophobicContact CD2-CB 4.03Å; L173-F223 HydrophobicContact CD2-CD1 4.27Å; V186-F223 HydrophobicContact CG1-CD2 4.2Å; V186-F223 HydrophobicContact CG1-CE1 4.47Å; V186-F223 HydrophobicContact CG1-CE2 4.01Å; V186-F223 HydrophobicContact CG1-CZ 4.14Å; V186-F223 HydrophobicContact CG2-CD1 4.38Å; I194-F223 HydrophobicContact CD1-CE2 4.21Å; I194-F223 HydrophobicContact CG2-CE2 4.05Å; I194-F223 HydrophobicContact CG2-CZ 4.25Å; I196-F223 HydrophobicContact CD1-CE1 4.05Å; I196-F223 HydrophobicContact CD1-CZ 4.36Å; I206-F223 HydrophobicContact CD1-CZ 4.1Å; L215-F223 HydrophobicContact CD2-CD2 3.86Å; L215-F223 HydrophobicContact CD2-CE2 4.17Å; I216-F223 CarbonylContact O-C 3.53Å; I216-F223 WeakPolarHBondContact O-CA 3.4Å; I216-F223 VanDerWaalsContact O-CB 3.28Å; I216-F223 WeakPolarHBondContact O-CB 3.5Å; F223-V234 WeakPolarHBondContact O-CA 3.47Å; F223-Y235 HydrophobicContact CE1-CG 4.48Å; F223-Y235 AromaticContact CE2-CD2 3.81Å; F223-Y235 HydrophobicContact CE2-CD2 3.81Å; F223-Y235 HydrophobicContact CE2-CG 4.06Å; F223-Y235 HydrophobicContact CZ-CD2 4.02Å; F223-Y235 AromaticContact CZ-CG 3.83Å; F223-Y235 HydrophobicContact CZ-CG 3.83Å; F223-Y235 PolarHBondContact N-O 3.37Å; F223-Y235 PolarHBondContact O-N 3.07Å; F223-R237 VanDerWaalsContact CE1-O 3.3Å; F223-R237 WeakPolarHBondContact CE1-O 3.41Å; F223-R237 WeakPolarHBondContact CZ-O 3.28Å
224G97.8Very high95.4Very high0 Ų019.6 Ų19.60%011%0.108CC..EExtended strand (participates in β ladder)trans-84.3143.4167.900000110.6L215 I216 G233L215-G224 WeakPolarHBondContact CA-O 3.27Å; I216-G224 PolarHBondContact N-O 2.81Å; I216-G224 PolarHBondContact O-N 2.91Å; G224-G233 CarbonylContact C-O 3.55Å; G224-G233 WeakPolarHBondContact CA-O 3.14Å
225Y98.1Very high95.4Very high0 Ų018.2 Ų18.20%010%0.102CC..EExtended strand (participates in β ladder)trans-129.5150.6175.278.3-81.1000111.4I194 E208 K214 L227 I232 G233 Y235 R240I194-Y225 HydrophobicContact CD1-CD2 4.34Å; I194-Y225 HydrophobicContact CD1-CG 4.22Å; E208-Y225 HydrophobicContact CG-CD2 4.46Å; E208-Y225 HydrophobicContact CG-CE2 4.12Å; E208-Y225 PolarHBondContact OE1-OH 2.87Å; K214-Y225 CarbonylContact O-C 3.57Å; K214-Y225 WeakPolarHBondContact O-CA 3.36Å; Y225-L227 HydrophobicContact CD2-CD2 3.77Å; Y225-L227 HydrophobicContact CD2-CG 4.04Å; Y225-L227 HydrophobicContact CE2-CD1 4.17Å; Y225-L227 HydrophobicContact CE2-CD2 3.97Å; Y225-L227 HydrophobicContact CE2-CG 3.88Å; Y225-I232 VanDerWaalsContact O-CA 3.26Å; Y225-I232 WeakPolarHBondContact O-CA 3.37Å; Y225-G233 VanDerWaalsContact CD1-C 3.41Å; Y225-G233 VanDerWaalsContact CD1-O 3.26Å; Y225-G233 WeakPolarHBondContact CD1-O 3.4Å; Y225-G233 VanDerWaalsContact CE1-C 3.45Å; Y225-G233 VanDerWaalsContact CE1-CA 3.43Å; Y225-G233 PolarHBondContact N-O 2.92Å; Y225-G233 PolarHBondContact O-N 2.92Å; Y225-Y235 AromaticContact CD1-CD2 3.44Å; Y225-Y235 HydrophobicContact CD1-CD2 3.44Å; Y225-Y235 VanDerWaalsContact CD1-CD2 3.44Å; Y225-Y235 AromaticContact CD1-CE2 3.6Å; Y225-Y235 HydrophobicContact CD1-CE2 3.6Å; Y225-Y235 AromaticContact CE1-CD2 3.59Å; Y225-Y235 HydrophobicContact CE1-CD2 3.59Å; Y225-Y235 AromaticContact CE1-CE2 3.37Å; Y225-Y235 HydrophobicContact CE1-CE2 3.37Å; Y225-Y235 HydrophobicContact CE2-CE2 4.46Å; Y225-Y235 HydrophobicContact CG-CD2 4.23Å; Y225-Y235 HydrophobicContact CG-CE2 4.25Å; Y225-Y235 AromaticContact CZ-CE2 3.84Å; Y225-R240 PolarHBondContact OH-NH1 3.17Å
226G97.1Very high95.3Very high0 Ų019 Ų190%011%0.107CC..EExtended strand (participates in β ladder)trans-136.2130.9178.300000111.3I213 K214 T231I213-G226 VanDerWaalsContact CG1-O 3.3Å; I213-G226 WeakPolarHBondContact CG1-O 3.41Å; I213-G226 PolarHBondContact N-O 2.88Å; K214-G226 PolarHBondContact N-O 3.25Å; K214-G226 VanDerWaalsContact N-O 3.16Å; K214-G226 PolarHBondContact O-N 2.64Å; G226-T231 CarbonylContact C-O 3.56Å; G226-T231 WeakPolarHBondContact CA-O 3.09Å
227L95.7Very high94.9Very high0 Ų020.1 Ų20.10%011%0.109CC..EExtended strand (participates in β ladder)trans-104.1154.6-179.2-53.9-172.1000111.5E208 T209 D210 A211 V212 Y225 N229 G230 T231E208-L227 HydrophobicContact CB-CD1 4.14Å; E208-L227 HydrophobicContact CB-CD2 4.02Å; E208-L227 HydrophobicContact CG-CD2 4.18Å; T209-L227 WeakPolarHBondContact OG1-CD1 3.19Å; D210-L227 HydrophobicContact CB-CB 4.4Å; A211-L227 WeakPolarHBondContact O-CA 3.14Å; V212-L227 HydrophobicContact CB-CD2 4.25Å; V212-L227 HydrophobicContact CG2-CD2 3.7Å; Y225-L227 HydrophobicContact CD2-CD2 3.77Å; Y225-L227 HydrophobicContact CD2-CG 4.04Å; Y225-L227 HydrophobicContact CE2-CD1 4.17Å; Y225-L227 HydrophobicContact CE2-CD2 3.97Å; Y225-L227 HydrophobicContact CE2-CG 3.88Å; L227-N229 WeakPolarHBondContact CB-OD1 3.24Å; L227-N229 PolarHBondContact O-N 3Å; L227-G230 PolarHBondContact O-N 3.39Å; L227-G230 VanDerWaalsContact O-N 3.07Å; L227-T231 HydrophobicContact CD1-CG2 4.32Å; L227-T231 PolarHBondContact N-O 2.99Å
228R92.8Very high94.7Very high83 Ų8321.7 Ų21.731%0.31312%0.117SC..THydrogen-bonded Turntrans-60-27.6179.1-175.8-179.3-69.6176.1-0.4113.4Y168 E190 D210 A211 I213 G230Y168-R228 VanDerWaalsContact CZ-NH2 3.3Å; Y168-R228 PolarHBondContact OH-NH2 2.93Å; Y168-R228 VanDerWaalsContact OH-NH2 3.16Å; E190-R228 IonicContact OE1-CZ 3.29Å; E190-R228 IonicContact OE1-NH1 3.45Å; E190-R228 PolarHBondContact OE1-NH1 3.39Å; E190-R228 IonicContact OE1-NH2 2.75Å; E190-R228 PolarHBondContact OE1-NH2 2.82Å; D210-R228 WeakPolarHBondContact OD2-CB 3.35Å; A211-R228 HydrophobicContact CB-CB 4.36Å; A211-R228 PolarHBondContact O-N 3.08Å; I213-R228 HydrophobicContact CG2-CB 4.01Å; R228-G230 VanDerWaalsContact C-N 3.25Å; R228-G230 PolarHBondContact O-N 3.03Å
229N90.3Very high94.5Very high49 Ų4927.2 Ų27.226%0.26215%0.147SC..THydrogen-bonded Turntrans-76.61.2176.46614.6000115.1T209 D210 L227 T231T209-N229 PolarHBondContact OG1-ND2 2.91Å; D210-N229 HydrophobicContact CB-CB 4.19Å; D210-N229 VanDerWaalsContact OD2-CB 3.24Å; D210-N229 WeakPolarHBondContact OD2-CB 3.21Å; D210-N229 PolarHBondContact OD2-N 3.38Å; L227-N229 WeakPolarHBondContact CB-OD1 3.24Å; L227-N229 PolarHBondContact O-N 3Å; N229-T231 WeakPolarHBondContact OD1-CB 3.05Å; N229-T231 PolarHBondContact OD1-N 3.32Å; N229-T231 PolarHBondContact OD1-OG1 2.95Å
230G93.2Very high94.7Very high0 Ų030 Ų300%015%0.148CC..SBendtrans91.27.1-178.900000114.8L227 R228 S246 N248L227-G230 PolarHBondContact O-N 3.39Å; L227-G230 VanDerWaalsContact O-N 3.07Å; R228-G230 VanDerWaalsContact C-N 3.25Å; R228-G230 PolarHBondContact O-N 3.03Å; G230-S246 PolarHBondContact O-N 2.91Å; G230-N248 WeakPolarHBondContact CA-O 3.26Å
231T94.3Very high94.9Very high2 Ų231.9 Ų31.91%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-80.2132.8173.3-52.80000110.4G226 L227 N229 R243 I244G226-T231 CarbonylContact C-O 3.56Å; G226-T231 WeakPolarHBondContact CA-O 3.09Å; L227-T231 HydrophobicContact CD1-CG2 4.32Å; L227-T231 PolarHBondContact N-O 2.99Å; N229-T231 WeakPolarHBondContact OD1-CB 3.05Å; N229-T231 PolarHBondContact OD1-N 3.32Å; N229-T231 PolarHBondContact OD1-OG1 2.95Å; T231-R243 HydrophobicContact CG2-CB 4.37Å; T231-I244 CarbonylContact C-O 3.55Å; T231-I244 VanDerWaalsContact CA-O 3.25Å; T231-I244 WeakPolarHBondContact CA-O 3.46Å; T231-I244 WeakPolarHBondContact CG2-O 3.33Å
232I97.2Very high95Very high0 Ų030.9 Ų30.90%014%0.144CC..EExtended strand (participates in β ladder)trans-127.4152.1167.966.3166.2000109.7Y225 W242 R243 I244 P250 F253 L266 C268 W270Y225-I232 VanDerWaalsContact O-CA 3.26Å; Y225-I232 WeakPolarHBondContact O-CA 3.37Å; I232-W242 HydrophobicContact CG1-CZ3 4.38Å; I232-R243 CarbonylContact O-C 3.36Å; I232-R243 VanDerWaalsContact O-CA 3.28Å; I232-R243 WeakPolarHBondContact O-CA 3.34Å; I232-I244 HydrophobicContact CD1-CD1 4.05Å; I232-I244 HydrophobicContact CD1-CG1 4.1Å; I232-I244 HydrophobicContact CG1-CD1 3.85Å; I232-I244 HydrophobicContact CG1-CG1 3.44Å; I232-I244 VanDerWaalsContact CG1-CG1 3.44Å; I232-I244 PolarHBondContact N-O 3.28Å; I232-I244 PolarHBondContact O-N 2.93Å; I232-P250 HydrophobicContact CG2-CB 3.86Å; I232-P250 HydrophobicContact CG2-CG 3.9Å; I232-F253 HydrophobicContact CB-CZ 4.32Å; I232-F253 HydrophobicContact CG2-CE1 4.01Å; I232-F253 HydrophobicContact CG2-CZ 3.81Å; I232-L266 HydrophobicContact CD1-CD2 4.43Å; I232-C268 HydrophobicContact CD1-CB 4.2Å; I232-W270 HydrophobicContact CD1-CH2 4.07Å; I232-W270 HydrophobicContact CD1-CZ2 3.69Å; I232-W270 HydrophobicContact CG1-CH2 4.07Å; I232-W270 HydrophobicContact CG1-CZ2 4.19Å; I232-W270 HydrophobicContact CG2-CH2 3.94Å; I232-W270 HydrophobicContact CG2-CZ2 4.49Å
233G97Very high94.9Very high0 Ų032.1 Ų32.10%015%0.148CC..EExtended strand (participates in β ladder)trans-167.1-178177.600000112.5G224 Y225 W242G224-G233 CarbonylContact C-O 3.55Å; G224-G233 WeakPolarHBondContact CA-O 3.14Å; Y225-G233 VanDerWaalsContact CD1-C 3.41Å; Y225-G233 VanDerWaalsContact CD1-O 3.26Å; Y225-G233 WeakPolarHBondContact CD1-O 3.4Å; Y225-G233 VanDerWaalsContact CE1-C 3.45Å; Y225-G233 VanDerWaalsContact CE1-CA 3.43Å; Y225-G233 PolarHBondContact N-O 2.92Å; Y225-G233 PolarHBondContact O-N 2.92Å; G233-W242 WeakPolarHBondContact CA-O 3.16Å
234V97.9Very high94.7Very high0 Ų034.4 Ų34.40%016%0.16CC..EExtended strand (participates in β ladder)trans-128.5133.5178.5176.40000110L218 Y222 F223 L241 W242 L266L218-V234 HydrophobicContact CD1-CB 4.38Å; L218-V234 HydrophobicContact CD1-CG1 3.87Å; L218-V234 HydrophobicContact CD1-CG2 3.54Å; Y222-V234 HydrophobicContact CD1-CG1 4.39Å; F223-V234 WeakPolarHBondContact O-CA 3.47Å; V234-L241 HydrophobicContact CG1-CD1 3.94Å; V234-L241 PolarHBondContact O-N 2.75Å; V234-W242 HydrophobicContact CB-CZ2 4.26Å; V234-W242 HydrophobicContact CG2-CH2 4.22Å; V234-W242 HydrophobicContact CG2-CZ2 3.37Å; V234-W242 PolarHBondContact N-O 3Å; V234-L266 HydrophobicContact CG2-CD2 4.16Å
235Y97.7Very high94.4Very high3 Ų339 Ų391%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-105.4145.4169.7-84.4-77.5000110.5I194 I206 E208 Y222 F223 Y225 V238 N239 R240I194-Y235 HydrophobicContact CD1-CD2 4.5Å; I194-Y235 HydrophobicContact CD1-CE2 4.29Å; I206-Y235 HydrophobicContact CD1-CD1 4.19Å; I206-Y235 HydrophobicContact CD1-CE1 4.24Å; I206-Y235 HydrophobicContact CD1-CG 4.45Å; I206-Y235 HydrophobicContact CG2-CE1 4.06Å; I206-Y235 HydrophobicContact CG2-CE2 4.32Å; I206-Y235 WeakPolarHBondContact CG2-OH 3.44Å; E208-Y235 VanDerWaalsContact OE1-CE2 3.24Å; E208-Y235 WeakPolarHBondContact OE1-CE2 3.47Å; E208-Y235 VanDerWaalsContact OE1-CZ 3.27Å; E208-Y235 PolarHBondContact OE1-OH 3.1Å; Y222-Y235 VanDerWaalsContact CA-O 3.31Å; Y222-Y235 WeakPolarHBondContact CA-O 3.26Å; F223-Y235 HydrophobicContact CE1-CG 4.48Å; F223-Y235 AromaticContact CE2-CD2 3.81Å; F223-Y235 HydrophobicContact CE2-CD2 3.81Å; F223-Y235 HydrophobicContact CE2-CG 4.06Å; F223-Y235 HydrophobicContact CZ-CD2 4.02Å; F223-Y235 AromaticContact CZ-CG 3.83Å; F223-Y235 HydrophobicContact CZ-CG 3.83Å; F223-Y235 PolarHBondContact N-O 3.37Å; F223-Y235 PolarHBondContact O-N 3.07Å; Y225-Y235 AromaticContact CD1-CD2 3.44Å; Y225-Y235 HydrophobicContact CD1-CD2 3.44Å; Y225-Y235 VanDerWaalsContact CD1-CD2 3.44Å; Y225-Y235 AromaticContact CD1-CE2 3.6Å; Y225-Y235 HydrophobicContact CD1-CE2 3.6Å; Y225-Y235 AromaticContact CE1-CD2 3.59Å; Y225-Y235 HydrophobicContact CE1-CD2 3.59Å; Y225-Y235 AromaticContact CE1-CE2 3.37Å; Y225-Y235 HydrophobicContact CE1-CE2 3.37Å; Y225-Y235 HydrophobicContact CE2-CE2 4.46Å; Y225-Y235 HydrophobicContact CG-CD2 4.23Å; Y225-Y235 HydrophobicContact CG-CE2 4.25Å; Y225-Y235 AromaticContact CZ-CE2 3.84Å; Y235-V238 WeakPolarHBondContact CE1-O 3.43Å; Y235-N239 WeakPolarHBondContact CA-O 3.43Å; Y235-N239 VanDerWaalsContact CD1-C 3.48Å; Y235-R240 HydrophobicContact CD1-CB 4Å; Y235-R240 HydrophobicContact CD1-CG 4.44Å; Y235-R240 HydrophobicContact CE1-CB 3.44Å; Y235-R240 VanDerWaalsContact CE1-CB 3.44Å; Y235-R240 HydrophobicContact CE1-CG 3.9Å; Y235-R240 HydrophobicContact CE2-CG 4.33Å; Y235-R240 PolarHBondContact OH-NE 3.08Å; Y235-R240 VanDerWaalsContact OH-NE 3.07Å; Y235-R240 PolarHBondContact OH-NH2 3.14Å
236N94.9Very high94Very high35 Ų3540.4 Ų40.419%0.18719%0.19CC..EExtended strand (participates in β ladder)trans-106.9100.8155.8-179.39.7000107.5E221 Y222 V238 N239 L241E221-N236 VanDerWaalsContact CB-OD1 3.31Å; E221-N236 WeakPolarHBondContact CB-OD1 3.36Å; E221-N236 PolarHBondContact OE2-OD1 2.84Å; Y222-N236 HydrophobicContact CD1-CB 3.92Å; Y222-N236 HydrophobicContact CE1-CB 3.75Å; N236-V238 PolarHBondContact O-N 3.37Å; N236-N239 PolarHBondContact N-O 3.03Å; N236-N239 PolarHBondContact O-N 2.95Å; N236-L241 HydrophobicContact CB-CD1 4.33Å; N236-L241 HydrophobicContact CB-CD2 4.33Å; N236-L241 HydrophobicContact CB-CG 4.37Å
237R89.8Confident93.7Very high51 Ų5150.3 Ų50.319%0.19223%0.233CC..THydrogen-bonded Turntrans48-98.6-164.1-57.6-170.1-179.3-159.90.5112.7Y175 I206 E221 F223Y175-R237 PolarHBondContact OH-NH2 3Å; I206-R237 VanDerWaalsContact CD1-O 3.29Å; I206-R237 WeakPolarHBondContact CD1-O 3.34Å; E221-R237 HydrophobicContact CB-CG 3.93Å; E221-R237 HydrophobicContact CG-CG 4.43Å; E221-R237 PolarHBondContact O-N 2.92Å; E221-R237 VanDerWaalsContact O-N 3.14Å; E221-R237 IonicContact OE1-CZ 3.8Å; E221-R237 IonicContact OE1-NE 3.9Å; E221-R237 PolarHBondContact OE1-NE 3.49Å; E221-R237 IonicContact OE1-NH2 3.32Å; E221-R237 PolarHBondContact OE1-NH2 3.46Å; E221-R237 IonicContact OE2-CZ 3.74Å; E221-R237 IonicContact OE2-NE 3.21Å; E221-R237 PolarHBondContact OE2-NE 3.1Å; F223-R237 VanDerWaalsContact CE1-O 3.3Å; F223-R237 WeakPolarHBondContact CE1-O 3.41Å; F223-R237 WeakPolarHBondContact CZ-O 3.28Å
238V90.7Very high93.6Very high63 Ų6352.5 Ų52.538%0.38224%0.244SC..THydrogen-bonded Turntrans-99.4-18.8-177.2-167.60000111.9H204 I206 Y235 N236 R240H204-V238 HydrophobicContact CB-CG2 3.88Å; H204-V238 VanDerWaalsContact CG-CG2 3.42Å; I206-V238 HydrophobicContact CG1-CG1 4.33Å; Y235-V238 WeakPolarHBondContact CE1-O 3.43Å; N236-V238 PolarHBondContact O-N 3.37Å; V238-R240 PolarHBondContact O-N 2.76Å
239N92.9Very high93.7Very high115 Ų11553.6 Ų53.662%0.61525%0.252SS*.EExtended strand (participates in β ladder)trans-86.7114.6-174.5-67.5-25.5000110.5Y235 N236 L241Y235-N239 WeakPolarHBondContact CA-O 3.43Å; Y235-N239 VanDerWaalsContact CD1-C 3.48Å; N236-N239 PolarHBondContact N-O 3.03Å; N236-N239 PolarHBondContact O-N 2.95Å; N239-L241 PolarHBondContact O-N 3.24Å
240R93.7Very high94Very high90 Ų9051.3 Ų51.334%0.3424%0.239SC..EExtended strand (participates in β ladder)trans-73.4117.7175.3-159.8-173.4-47-132.73.6109.3E208 Y225 Y235 V238 R243E208-R240 VanDerWaalsContact CD-NH1 3.35Å; E208-R240 IonicContact OE1-CZ 2.81Å; E208-R240 IonicContact OE1-NH1 3.1Å; E208-R240 PolarHBondContact OE1-NH1 2.8Å; E208-R240 IonicContact OE1-NH2 2.79Å; E208-R240 PolarHBondContact OE1-NH2 3.39Å; E208-R240 IonicContact OE2-CZ 3.75Å; E208-R240 IonicContact OE2-NH1 3.19Å; E208-R240 PolarHBondContact OE2-NH1 3.32Å; E208-R240 IonicContact OE2-NH2 3.41Å; Y225-R240 PolarHBondContact OH-NH1 3.17Å; Y235-R240 HydrophobicContact CD1-CB 4Å; Y235-R240 HydrophobicContact CD1-CG 4.44Å; Y235-R240 HydrophobicContact CE1-CB 3.44Å; Y235-R240 VanDerWaalsContact CE1-CB 3.44Å; Y235-R240 HydrophobicContact CE1-CG 3.9Å; Y235-R240 HydrophobicContact CE2-CG 4.33Å; Y235-R240 PolarHBondContact OH-NE 3.08Å; Y235-R240 VanDerWaalsContact OH-NE 3.07Å; Y235-R240 PolarHBondContact OH-NH2 3.14Å; V238-R240 PolarHBondContact O-N 2.76Å; R240-R243 VanDerWaalsContact NH1-NH1 3.11Å
241L95.1Very high94.1Very high71 Ų7152.3 Ų52.337%0.37224%0.244SC..EExtended strand (participates in β ladder)trans-81.7-49.9179.7-60.8176000111.3Y222 V234 N236 N239Y222-L241 HydrophobicContact CD1-CD1 3.66Å; Y222-L241 HydrophobicContact CE1-CD1 3.53Å; V234-L241 HydrophobicContact CG1-CD1 3.94Å; V234-L241 PolarHBondContact O-N 2.75Å; N236-L241 HydrophobicContact CB-CD1 4.33Å; N236-L241 HydrophobicContact CB-CD2 4.33Å; N236-L241 HydrophobicContact CB-CG 4.37Å; N239-L241 PolarHBondContact O-N 3.24Å
242W95.6Very high94.2Very high24 Ų2452.9 Ų52.99%0.09125%0.248CC..EExtended strand (participates in β ladder)trans-156.2159.2178.161.3-91.4000109.9I232 G233 V234 I244 L266 R278 L279 R280I232-W242 HydrophobicContact CG1-CZ3 4.38Å; G233-W242 WeakPolarHBondContact CA-O 3.16Å; V234-W242 HydrophobicContact CB-CZ2 4.26Å; V234-W242 HydrophobicContact CG2-CH2 4.22Å; V234-W242 HydrophobicContact CG2-CZ2 3.37Å; V234-W242 PolarHBondContact N-O 3Å; W242-I244 HydrophobicContact CE3-CG2 4.35Å; W242-I244 HydrophobicContact CZ3-CG1 4.19Å; W242-I244 HydrophobicContact CZ3-CG2 4.41Å; W242-L266 HydrophobicContact CH2-CD2 4Å; W242-L266 HydrophobicContact CZ2-CD2 4.35Å; W242-R278 HydrophobicContact CH2-CB 3.97Å; W242-R278 HydrophobicContact CZ2-CB 4.09Å; W242-L279 PolarHBondContact NE1-O 3.47Å; W242-R280 PolarHBondContact NE1-O 3.41Å
243R93.4Very high94.1Very high89 Ų8954 Ų5434%0.33625%0.253SS..EExtended strand (participates in β ladder)trans-146.3152.7169.764.7177.8-179.1-175.911.1109.9T231 I232 R240 E418T231-R243 HydrophobicContact CG2-CB 4.37Å; I232-R243 CarbonylContact O-C 3.36Å; I232-R243 VanDerWaalsContact O-CA 3.28Å; I232-R243 WeakPolarHBondContact O-CA 3.34Å; R240-R243 VanDerWaalsContact NH1-NH1 3.11Å; R243-E418 VanDerWaalsContact CZ-CD 3.44Å; R243-E418 IonicContact CZ-OE1 2.95Å; R243-E418 IonicContact CZ-OE2 3.77Å; R243-E418 IonicContact NE-OE1 3.82Å; R243-E418 VanDerWaalsContact NH1-CD 3.33Å; R243-E418 IonicContact NH1-OE1 3.39Å; R243-E418 PolarHBondContact NH1-OE1 3.13Å; R243-E418 IonicContact NH1-OE2 2.66Å; R243-E418 PolarHBondContact NH1-OE2 3.36Å; R243-E418 IonicContact NH2-OE1 3.74Å; R243-E418 PolarHBondContact NH2-OE1 2.73Å; R243-E418 IonicContact NH2-OE2 3.16Å; R243-E418 PolarHBondContact NH2-OE2 3.19Å
244I93.5Very high94Very high47 Ų4754.7 Ų54.724%0.24126%0.257CS..EExtended strand (participates in β ladder)trans-131.2151.7168.262146.4000109.2T231 I232 W242 W270T231-I244 CarbonylContact C-O 3.55Å; T231-I244 VanDerWaalsContact CA-O 3.25Å; T231-I244 WeakPolarHBondContact CA-O 3.46Å; T231-I244 WeakPolarHBondContact CG2-O 3.33Å; I232-I244 HydrophobicContact CD1-CD1 4.05Å; I232-I244 HydrophobicContact CD1-CG1 4.1Å; I232-I244 HydrophobicContact CG1-CD1 3.85Å; I232-I244 HydrophobicContact CG1-CG1 3.44Å; I232-I244 VanDerWaalsContact CG1-CG1 3.44Å; I232-I244 PolarHBondContact N-O 3.28Å; I232-I244 PolarHBondContact O-N 2.93Å; W242-I244 HydrophobicContact CE3-CG2 4.35Å; W242-I244 HydrophobicContact CZ3-CG1 4.19Å; W242-I244 HydrophobicContact CZ3-CG2 4.41Å; I244-W270 HydrophobicContact CD1-CH2 4.47Å; I244-W270 HydrophobicContact CD1-CZ2 4.29Å
245K90.9Very high93.9Very high96 Ų9656.4 Ų56.442%0.41727%0.27SS..EExtended strand (participates in β ladder)trans-114.7130.1171.9-170.3176.8179.1-164.40110E424K245-E424 WeakPolarHBondContact CE-OE2 3.41Å; K245-E424 IonicContact NZ-OE2 3.4Å; K245-E424 PolarHBondContact NZ-OE2 3.18Å
246S91.2Very high93.7Very high30 Ų3058.4 Ų58.421%0.2128%0.279CS..  trans-113.9156.6175.6-175.30000109.9G230 N248 W270G230-S246 PolarHBondContact O-N 2.91Å; S246-N248 PolarHBondContact O-N 3.38Å; S246-N248 PolarHBondContact OG-N 3.45Å; S246-W270 VanDerWaalsContact CB-CH2 3.41Å
247K90.2Very high93.6Very high209 Ų20958.1 Ų58.191%0.90928%0.277SS*.SBendtrans-72.2-19.7168.6-63.7-176.5179.2-177.70112.2
248N94.3Very high93.5Very high45 Ų4555.8 Ų55.824%0.24127%0.269CS..SBendtrans-95153.2-176.7-65.4-29.5000109.9G230 S246 W270 N271 N272G230-N248 WeakPolarHBondContact CA-O 3.26Å; S246-N248 PolarHBondContact O-N 3.38Å; S246-N248 PolarHBondContact OG-N 3.45Å; N248-W270 HydrophobicContact CB-CB 4.44Å; N248-W270 HydrophobicContact CB-CD2 4.48Å; N248-W270 HydrophobicContact CB-CE3 3.83Å; N248-W270 WeakPolarHBondContact O-CZ3 3.3Å; N248-N271 VanDerWaalsContact CA-OD1 3.29Å; N248-N271 WeakPolarHBondContact CA-OD1 3.49Å; N248-N271 WeakPolarHBondContact CB-OD1 3.32Å; N248-N272 PolarHBondContact ND2-ND2 3.3Å; N248-N272 PolarHBondContact ND2-OD1 3.05Å
249K94.1Very high93.2Very high107 Ų10753.8 Ų53.847%0.46526%0.256SS..PPolyproline II helixtrans-92137.8-179.8-64.5-177.5177.91770110.7N271K249-N271 HydrophobicContact CB-CB 4.42Å; K249-N271 PolarHBondContact N-OD1 3.31Å; K249-N271 PolarHBondContact O-N 2.84Å
250P96.4Very high92.9Very high0 Ų053 Ų530%025%0.245CC..EExtended strand (participates in β ladder)trans-72.5132.6170.130.9-33.9000109.6I213 I232 F253I213-P250 HydrophobicContact CD1-CG 4.07Å; I232-P250 HydrophobicContact CG2-CB 3.86Å; I232-P250 HydrophobicContact CG2-CG 3.9Å; P250-F253 HydrophobicContact CB-CE1 3.89Å; P250-F253 HydrophobicContact CB-CZ 4.33Å
251I95.9Very high92.6Very high21 Ų2152.6 Ų52.611%0.10825%0.25CC..EExtended strand (participates in β ladder)trans-106.2-45.3-179.6-58.4-62.8000111.3P17 E18 K214 G269 N271 V295P17-I251 HydrophobicContact CB-CG2 3.82Å; E18-I251 HydrophobicContact CG-CG2 3.88Å; K214-I251 WeakPolarHBondContact CD-O 3.24Å; K214-I251 WeakPolarHBondContact CE-O 3.46Å; K214-I251 PolarHBondContact NZ-O 3.09Å; I251-G269 PolarHBondContact N-O 2.9Å; I251-N271 HydrophobicContact CD1-CB 4Å; I251-N271 HydrophobicContact CG1-CB 3.99Å; I251-V295 WeakPolarHBondContact CG2-O 3.44Å
252C94.9Very high92.4Very high14 Ų1452 Ų5210%0.09526%0.26CS..EExtended strand (participates in β ladder)trans-142.3149.2-179.455.80000111G269 M298C252-G269 PolarHBondContact O-N 3.35Å; C252-M298 VanDerWaalsContact SG-CG 3.51Å; C252-M298 VanDerWaalsContact SG-SD 3.62Å
253F96.5Very high92.2Very high24 Ų2457.2 Ų57.211%0.10528%0.281CS..EExtended strand (participates in β ladder)trans-117.3145.7174.2-70.9-17.8000110.3K214 I216 I232 P250 L266 I267 C268K214-F253 HydrophobicContact CB-CD2 3.58Å; K214-F253 HydrophobicContact CB-CE1 4.43Å; K214-F253 HydrophobicContact CB-CE2 3.4Å; K214-F253 HydrophobicContact CB-CG 4.19Å; K214-F253 HydrophobicContact CB-CZ 3.87Å; I216-F253 HydrophobicContact CB-CB 4.01Å; I216-F253 HydrophobicContact CB-CD2 4.26Å; I216-F253 HydrophobicContact CD1-CB 3.94Å; I216-F253 WeakPolarHBondContact CD1-O 3.04Å; I216-F253 HydrophobicContact CG2-CB 3.87Å; I216-F253 HydrophobicContact CG2-CD2 3.87Å; I216-F253 HydrophobicContact CG2-CG 4.25Å; I232-F253 HydrophobicContact CB-CZ 4.32Å; I232-F253 HydrophobicContact CG2-CE1 4.01Å; I232-F253 HydrophobicContact CG2-CZ 3.81Å; P250-F253 HydrophobicContact CB-CE1 3.89Å; P250-F253 HydrophobicContact CB-CZ 4.33Å; F253-L266 HydrophobicContact CB-CD1 4.27Å; F253-L266 HydrophobicContact CD1-CD1 4.14Å; F253-L266 HydrophobicContact CD2-CD1 3.98Å; F253-L266 HydrophobicContact CE1-CD1 4.46Å; F253-L266 HydrophobicContact CE2-CD1 4.29Å; F253-L266 HydrophobicContact CG-CD1 3.9Å; F253-I267 CarbonylContact C-O 3.57Å; F253-I267 VanDerWaalsContact CA-O 3.29Å; F253-I267 WeakPolarHBondContact CA-O 3.31Å; F253-C268 HydrophobicContact CD1-CB 4.03Å; F253-C268 HydrophobicContact CE1-CB 3.95Å
254V95.2Very high92.3Very high14 Ų1454.1 Ų54.19%0.08527%0.273CS..EExtended strand (participates in β ladder)trans-133.3141.1166.4-175.60000108.1I216 I267 M298 V300I216-V254 VanDerWaalsContact CD1-C 3.49Å; I216-V254 VanDerWaalsContact CD1-CA 3.47Å; V254-I267 HydrophobicContact CB-CB 4.24Å; V254-I267 HydrophobicContact CB-CD1 4.23Å; V254-I267 HydrophobicContact CG1-CD1 4.3Å; V254-I267 PolarHBondContact N-O 3.37Å; V254-I267 WeakPolarHBondContact O-CA 3.15Å; V254-I267 WeakPolarHBondContact O-CB 3.46Å; V254-I267 WeakPolarHBondContact O-CG1 3.39Å; V254-I267 PolarHBondContact O-N 2.78Å; V254-M298 HydrophobicContact CG2-CB 3.56Å; V254-M298 HydrophobicContact CG2-CE 4.47Å; V254-M298 WeakPolarHBondContact CG2-O 3.14Å; V254-V300 HydrophobicContact CG1-CB 4.18Å; V254-V300 HydrophobicContact CG1-CG2 3.8Å
255S95Very high92.3Very high37 Ų3752 Ų5226%0.25926%0.261SS..EExtended strand (participates in β ladder)trans-107.6116.3174.9168.50000107.4I216 S217 P264I216-S255 VanDerWaalsContact CD1-N 3.27Å; S217-S255 WeakPolarHBondContact O-CB 3.45Å; S217-S255 PolarHBondContact O-OG 2.92Å; S255-P264 VanDerWaalsContact OG-CB 3.3Å; S255-P264 WeakPolarHBondContact OG-CB 3.38Å
256H93.5Very high92.7Very high44 Ų4447.4 Ų47.420%0.20424%0.241CC..EExtended strand (participates in β ladder)trans-156.1147.2176.6-168.370.1000110.6I258 E265 I267 V300 D308H256-I258 PolarHBondContact O-N 2.79Å; H256-E265 PolarHBondContact N-O 3.2Å; H256-E265 PolarHBondContact O-N 3Å; H256-I267 HydrophobicContact CB-CD1 3.89Å; H256-V300 HydrophobicContact CB-CB 4.12Å; H256-V300 HydrophobicContact CB-CG1 4.23Å; H256-V300 HydrophobicContact CB-CG2 3.9Å; H256-D308 IonicContact CD2-OD1 3.25Å; H256-D308 IonicContact CE1-OD1 2.74Å; H256-D308 PolarHBondContact CE1-OD1 3.41Å; H256-D308 IonicContact NE2-OD1 2.88Å; H256-D308 PolarHBondContact NE2-OD1 2.95Å; H256-D308 IonicContact NE2-OD2 3.33Å; H256-D308 PolarHBondContact NE2-OD2 3.06Å
257D92.4Very high92.9Very high29 Ų2946 Ų4616%0.15523%0.231CC..  trans-83.789.5173.9179.96000109.4N259 Y260 D261 G262 E265D257-N259 PolarHBondContact OD1-N 3.29Å; D257-N259 PolarHBondContact OD1-OD1 2.9Å; D257-N259 VanDerWaalsContact OD1-OD1 3.08Å; D257-Y260 WeakPolarHBondContact OD1-CA 3.43Å; D257-Y260 PolarHBondContact OD1-N 3.5Å; D257-Y260 VanDerWaalsContact OD2-CA 3.32Å; D257-Y260 WeakPolarHBondContact OD2-CA 3.41Å; D257-D261 PolarHBondContact OD1-N 3.16Å; D257-D261 VanDerWaalsContact OD1-N 3.14Å; D257-D261 PolarHBondContact OD2-N 3.21Å; D257-G262 VanDerWaalsContact OD2-CA 3.27Å; D257-G262 WeakPolarHBondContact OD2-CA 3.36Å; D257-G262 PolarHBondContact OD2-N 3.21Å; D257-E265 WeakPolarHBondContact CA-OE2 3.47Å
258I87.6Confident93.2Very high3 Ų336 Ų362%0.01519%0.188CC..SBendtrans-73-32.2-179.7-61.2-165.4000110.9M1 H256 E265 I267 A277 F287 L324M1-I258 HydrophobicContact SD-CG2 4.32Å; H256-I258 PolarHBondContact O-N 2.79Å; I258-E265 PolarHBondContact N-OE2 2.88Å; I258-I267 HydrophobicContact CD1-CD1 3.58Å; I258-I267 HydrophobicContact CD1-CG1 3.89Å; I258-I267 HydrophobicContact CG1-CD1 3.93Å; I258-I267 HydrophobicContact CG1-CG1 4.42Å; I258-A277 HydrophobicContact CD1-CB 3.46Å; I258-A277 VanDerWaalsContact CD1-CB 3.46Å; I258-A277 HydrophobicContact CG1-CB 4.49Å; I258-F287 HydrophobicContact CD1-CB 4.24Å; I258-F287 HydrophobicContact CD1-CD1 4.12Å; I258-F287 HydrophobicContact CD1-CG 4.28Å; I258-L324 HydrophobicContact CB-CD2 4.05Å; I258-L324 HydrophobicContact CD1-CD2 3.83Å; I258-L324 HydrophobicContact CG1-CD2 3.68Å; I258-L324 HydrophobicContact CG2-CD2 3.67Å
259N85.9Confident93.3Very high21 Ų2133.9 Ų33.911%0.11218%0.177CC..SBendtrans-94.9-7.1-171.576.818.5000113.6M1 D257 D261 E265 L279 R326M1-N259 HydrophobicContact CE-CB 3.79Å; D257-N259 PolarHBondContact OD1-N 3.29Å; D257-N259 PolarHBondContact OD1-OD1 2.9Å; D257-N259 VanDerWaalsContact OD1-OD1 3.08Å; N259-D261 PolarHBondContact ND2-OD2 2.86Å; N259-D261 WeakPolarHBondContact OD1-CA 3.45Å; N259-D261 WeakPolarHBondContact OD1-CB 3.46Å; N259-D261 PolarHBondContact OD1-N 2.9Å; N259-D261 PolarHBondContact OD1-OD1 3.4Å; N259-D261 PolarHBondContact OD1-OD2 2.87Å; N259-E265 WeakPolarHBondContact CB-OE1 3.41Å; N259-E265 PolarHBondContact ND2-OE1 2.86Å; N259-L279 WeakPolarHBondContact ND2-CD2 3.17Å; N259-R326 PolarHBondContact O-NH1 3.43Å; N259-R326 PolarHBondContact O-NH2 3.12Å; N259-R326 VanDerWaalsContact O-NH2 3.08Å
260Y85.7Confident93.5Very high99 Ų9928.8 Ų28.839%0.38816%0.155SC..  trans6039.7-175.7-56.5-80.6000113.5D257 D308D257-Y260 WeakPolarHBondContact OD1-CA 3.43Å; D257-Y260 PolarHBondContact OD1-N 3.5Å; D257-Y260 VanDerWaalsContact OD2-CA 3.32Å; D257-Y260 WeakPolarHBondContact OD2-CA 3.41Å; Y260-D308 WeakPolarHBondContact CE1-OD2 3.14Å; Y260-D308 PolarHBondContact OH-OD2 3.07Å
261D87.5Confident93.4Very high81 Ų8131.7 Ų31.743%0.43317%0.17SC..SBendtrans-91.6-1.5175.573.915.6000113.6D257 N259 Y263D257-D261 PolarHBondContact OD1-N 3.16Å; D257-D261 VanDerWaalsContact OD1-N 3.14Å; D257-D261 PolarHBondContact OD2-N 3.21Å; N259-D261 PolarHBondContact ND2-OD2 2.86Å; N259-D261 WeakPolarHBondContact OD1-CA 3.45Å; N259-D261 WeakPolarHBondContact OD1-CB 3.46Å; N259-D261 PolarHBondContact OD1-N 2.9Å; N259-D261 PolarHBondContact OD1-OD1 3.4Å; N259-D261 PolarHBondContact OD1-OD2 2.87Å; D261-Y263 WeakPolarHBondContact OD1-CA 3.29Å; D261-Y263 WeakPolarHBondContact OD1-CB 3.29Å; D261-Y263 PolarHBondContact OD1-N 3.43Å
262G90.2Very high93.4Very high58 Ų5833.3 Ų33.360%0.59818%0.179SC*.SBendtrans91.4-2.7-178.900000113.7D257D257-G262 VanDerWaalsContact OD2-CA 3.27Å; D257-G262 WeakPolarHBondContact OD2-CA 3.36Å; D257-G262 PolarHBondContact OD2-N 3.21Å
263Y92.7Very high93.4Very high133 Ų13332.6 Ų32.652%0.52217%0.174SC..SBendtrans-124.7122.2-177.9-60.4-49.3000111.7D261D261-Y263 WeakPolarHBondContact OD1-CA 3.29Å; D261-Y263 WeakPolarHBondContact OD1-CB 3.29Å; D261-Y263 PolarHBondContact OD1-N 3.43Å
264P94.2Very high93.3Very high25 Ų2533.3 Ų33.316%0.16218%0.177CC..  trans-70.8140.3-175.930.9-36.3000111.8L218 S255L218-P264 VanDerWaalsContact C-CG 3.47Å; L218-P264 HydrophobicContact CB-CG 4.49Å; L218-P264 WeakPolarHBondContact O-CG 3.25Å; S255-P264 VanDerWaalsContact OG-CB 3.3Å; S255-P264 WeakPolarHBondContact OG-CB 3.38Å
265E95.1Very high93.3Very high1 Ų132.6 Ų32.61%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-86.5157.1173.4-70.2103.3157.600113H256 D257 I258 N259 I267 A277 R278 L279 V286H256-E265 PolarHBondContact N-O 3.2Å; H256-E265 PolarHBondContact O-N 3Å; D257-E265 WeakPolarHBondContact CA-OE2 3.47Å; I258-E265 PolarHBondContact N-OE2 2.88Å; N259-E265 WeakPolarHBondContact CB-OE1 3.41Å; N259-E265 PolarHBondContact ND2-OE1 2.86Å; E265-I267 PolarHBondContact O-N 3.16Å; E265-A277 HydrophobicContact CB-CB 4.39Å; E265-R278 WeakPolarHBondContact CA-O 3.22Å; E265-R278 VanDerWaalsContact CB-O 3.24Å; E265-R278 WeakPolarHBondContact CB-O 3.35Å; E265-L279 HydrophobicContact CG-CD2 3.98Å; E265-V286 HydrophobicContact CG-CG2 4.13Å
266L97.3Very high93.3Very high0 Ų030.9 Ų30.90%016%0.161CC..EExtended strand (participates in β ladder)trans-82.8106.3168.9179.861.4000109.1I216 L218 I232 V234 W242 F253 A277 R278I216-L266 HydrophobicContact CG2-CD1 3.53Å; L218-L266 HydrophobicContact CD1-CB 4.19Å; L218-L266 HydrophobicContact CD2-CB 4.14Å; L218-L266 HydrophobicContact CD2-CD1 4.41Å; I232-L266 HydrophobicContact CD1-CD2 4.43Å; V234-L266 HydrophobicContact CG2-CD2 4.16Å; W242-L266 HydrophobicContact CH2-CD2 4Å; W242-L266 HydrophobicContact CZ2-CD2 4.35Å; F253-L266 HydrophobicContact CB-CD1 4.27Å; F253-L266 HydrophobicContact CD1-CD1 4.14Å; F253-L266 HydrophobicContact CD2-CD1 3.98Å; F253-L266 HydrophobicContact CE1-CD1 4.46Å; F253-L266 HydrophobicContact CE2-CD1 4.29Å; F253-L266 HydrophobicContact CG-CD1 3.9Å; L266-A277 WeakPolarHBondContact O-CA 3.15Å; L266-R278 PolarHBondContact N-O 3.35Å; L266-R278 PolarHBondContact O-N 2.98Å
267I96.3Very high93.4Very high0 Ų028.8 Ų28.80%015%0.151CC..EExtended strand (participates in β ladder)trans-94.2125173-41.7172.5000108.8F253 V254 H256 I258 E265 V275 D276 A277 M298 V300 L310F253-I267 CarbonylContact C-O 3.57Å; F253-I267 VanDerWaalsContact CA-O 3.29Å; F253-I267 WeakPolarHBondContact CA-O 3.31Å; V254-I267 HydrophobicContact CB-CB 4.24Å; V254-I267 HydrophobicContact CB-CD1 4.23Å; V254-I267 HydrophobicContact CG1-CD1 4.3Å; V254-I267 PolarHBondContact N-O 3.37Å; V254-I267 WeakPolarHBondContact O-CA 3.15Å; V254-I267 WeakPolarHBondContact O-CB 3.46Å; V254-I267 WeakPolarHBondContact O-CG1 3.39Å; V254-I267 PolarHBondContact O-N 2.78Å; H256-I267 HydrophobicContact CB-CD1 3.89Å; I258-I267 HydrophobicContact CD1-CD1 3.58Å; I258-I267 HydrophobicContact CD1-CG1 3.89Å; I258-I267 HydrophobicContact CG1-CD1 3.93Å; I258-I267 HydrophobicContact CG1-CG1 4.42Å; E265-I267 PolarHBondContact O-N 3.16Å; I267-V275 HydrophobicContact CG2-CG1 3.99Å; I267-D276 CarbonylContact C-O 3.52Å; I267-D276 WeakPolarHBondContact CA-O 3.43Å; I267-A277 HydrophobicContact CB-CB 4.32Å; I267-A277 HydrophobicContact CG1-CB 3.84Å; I267-A277 HydrophobicContact CG2-CB 4.19Å; I267-M298 HydrophobicContact CB-CE 4.37Å; I267-M298 HydrophobicContact CG2-CE 3.44Å; I267-M298 VanDerWaalsContact CG2-CE 3.44Å; I267-V300 HydrophobicContact CD1-CG2 4.12Å; I267-L310 HydrophobicContact CD1-CD1 4.38Å
268C97.2Very high93.5Very high0 Ų028.8 Ų28.80%015%0.149CC..EExtended strand (participates in β ladder)trans-121.6126.3-177.8177.30000111.7I232 F253 W270 V275 D276I232-C268 HydrophobicContact CD1-CB 4.2Å; F253-C268 HydrophobicContact CD1-CB 4.03Å; F253-C268 HydrophobicContact CE1-CB 3.95Å; C268-W270 VanDerWaalsContact SG-CE2 3.56Å; C268-V275 WeakPolarHBondContact O-CA 3.28Å; C268-D276 PolarHBondContact N-O 2.74Å; C268-D276 PolarHBondContact O-N 2.85Å; C268-D276 VanDerWaalsContact O-N 3.09Å
269G96.6Very high93.8Very high0 Ų030.1 Ų30.10%016%0.156CC..EExtended strand (participates in β ladder)trans-91.7123.6166.200000111.1I251 C252 M298I251-G269 PolarHBondContact N-O 2.9Å; C252-G269 PolarHBondContact O-N 3.35Å; G269-M298 WeakPolarHBondContact CA-SD 3.49Å
270W96.9Very high94.2Very high1 Ų130.8 Ų30.80%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-99.9155.7-176.9-61.586.4000112.1I232 I244 S246 N248 C268 N272 G273 K274 D276 V295I232-W270 HydrophobicContact CD1-CH2 4.07Å; I232-W270 HydrophobicContact CD1-CZ2 3.69Å; I232-W270 HydrophobicContact CG1-CH2 4.07Å; I232-W270 HydrophobicContact CG1-CZ2 4.19Å; I232-W270 HydrophobicContact CG2-CH2 3.94Å; I232-W270 HydrophobicContact CG2-CZ2 4.49Å; I244-W270 HydrophobicContact CD1-CH2 4.47Å; I244-W270 HydrophobicContact CD1-CZ2 4.29Å; S246-W270 VanDerWaalsContact CB-CH2 3.41Å; N248-W270 HydrophobicContact CB-CB 4.44Å; N248-W270 HydrophobicContact CB-CD2 4.48Å; N248-W270 HydrophobicContact CB-CE3 3.83Å; N248-W270 WeakPolarHBondContact O-CZ3 3.3Å; C268-W270 VanDerWaalsContact SG-CE2 3.56Å; W270-N272 WeakPolarHBondContact CB-OD1 3.44Å; W270-N272 PolarHBondContact O-N 3.33Å; W270-N272 VanDerWaalsContact O-N 3.1Å; W270-G273 PolarHBondContact O-N 3.21Å; W270-G273 VanDerWaalsContact O-N 3.07Å; W270-K274 HydrophobicContact CB-CB 4.18Å; W270-K274 WeakPolarHBondContact CB-O 3.41Å; W270-K274 VanDerWaalsContact CD1-O 3.25Å; W270-K274 HydrophobicContact CG-CB 4.31Å; W270-K274 PolarHBondContact N-O 2.88Å; W270-D276 PolarHBondContact NE1-OD1 3.17Å; W270-V295 PolarHBondContact O-N 3.01Å
271N95.8Very high94.6Very high60 Ų6029.6 Ų29.632%0.32116%0.163SC..THydrogen-bonded Turntrans-65.2-13.5179.374.1-33.3000115.1N248 K249 I251 C294N248-N271 VanDerWaalsContact CA-OD1 3.29Å; N248-N271 WeakPolarHBondContact CA-OD1 3.49Å; N248-N271 WeakPolarHBondContact CB-OD1 3.32Å; K249-N271 HydrophobicContact CB-CB 4.42Å; K249-N271 PolarHBondContact N-OD1 3.31Å; K249-N271 PolarHBondContact O-N 2.84Å; I251-N271 HydrophobicContact CD1-CB 4Å; I251-N271 HydrophobicContact CG1-CB 3.99Å; N271-C294 WeakPolarHBondContact CA-SG 3.26Å; N271-C294 WeakPolarHBondContact O-CA 3.5Å; N271-C294 WeakPolarHBondContact O-CB 3.44Å; N271-C294 PolarHBondContact O-SG 2.9Å
272N95.1Very high94.8Very high55 Ų5529.9 Ų29.929%0.29417%0.165SC..THydrogen-bonded Turntrans-96.813.817677.3-42.1000113.1N248 W270 K274 Q290N248-N272 PolarHBondContact ND2-ND2 3.3Å; N248-N272 PolarHBondContact ND2-OD1 3.05Å; W270-N272 WeakPolarHBondContact CB-OD1 3.44Å; W270-N272 PolarHBondContact O-N 3.33Å; W270-N272 VanDerWaalsContact O-N 3.1Å; N272-K274 VanDerWaalsContact C-N 3.26Å; N272-K274 PolarHBondContact O-N 3.49Å; N272-K274 WeakPolarHBondContact OD1-CB 3.46Å; N272-K274 PolarHBondContact OD1-N 3.49Å; N272-Q290 PolarHBondContact O-NE2 3.13Å
273G94.2Very high94.9Very high0 Ų027.4 Ų27.40%014%0.139CC..SBendtrans80.5-1.7-179.800000115.1W270 L291 D293W270-G273 PolarHBondContact O-N 3.21Å; W270-G273 VanDerWaalsContact O-N 3.07Å; G273-L291 VanDerWaalsContact O-CB 3.27Å; G273-L291 WeakPolarHBondContact O-CB 3.18Å; G273-L291 WeakPolarHBondContact O-CG 3.37Å; G273-L291 PolarHBondContact O-N 3.01Å; G273-D293 WeakPolarHBondContact CA-O 3.29Å
274K95.2Very high94.9Very high38 Ų3824.8 Ų24.817%0.16514%0.137CC..EExtended strand (participates in β ladder)trans-69.9139.6171.9-175.2-174.1164.7-152.50109.4W270 N272 D276 I289W270-K274 HydrophobicContact CB-CB 4.18Å; W270-K274 WeakPolarHBondContact CB-O 3.41Å; W270-K274 VanDerWaalsContact CD1-O 3.25Å; W270-K274 HydrophobicContact CG-CB 4.31Å; W270-K274 PolarHBondContact N-O 2.88Å; N272-K274 VanDerWaalsContact C-N 3.26Å; N272-K274 PolarHBondContact O-N 3.49Å; N272-K274 WeakPolarHBondContact OD1-CB 3.46Å; N272-K274 PolarHBondContact OD1-N 3.49Å; K274-D276 VanDerWaalsContact CE-OD2 3.32Å; K274-D276 WeakPolarHBondContact CE-OD2 3.34Å; K274-D276 IonicContact NZ-OD2 3.63Å; K274-D276 PolarHBondContact NZ-OD2 2.82Å; K274-I289 WeakPolarHBondContact CA-O 3.35Å
275V95.6Very high94.8Very high0 Ų026.3 Ų26.30%015%0.146CC..EExtended strand (participates in β ladder)trans-122.2127.7164.9177.60000107.7I267 C268 F287 K288 I289 L291 V295 M298 V312I267-V275 HydrophobicContact CG2-CG1 3.99Å; C268-V275 WeakPolarHBondContact O-CA 3.28Å; V275-F287 HydrophobicContact CG1-CE1 4.47Å; V275-K288 CarbonylContact O-C 3.6Å; V275-K288 VanDerWaalsContact O-CA 3.28Å; V275-K288 WeakPolarHBondContact O-CA 3.39Å; V275-I289 HydrophobicContact CB-CB 4.32Å; V275-I289 PolarHBondContact N-O 2.75Å; V275-I289 PolarHBondContact O-N 3.46Å; V275-L291 HydrophobicContact CG2-CD1 4.14Å; V275-V295 HydrophobicContact CG2-CG2 3.87Å; V275-M298 HydrophobicContact CG1-CE 3.46Å; V275-M298 VanDerWaalsContact CG1-CE 3.46Å; V275-M298 HydrophobicContact CG1-SD 4Å; V275-M298 HydrophobicContact CG2-CE 4.43Å; V275-M298 HydrophobicContact CG2-SD 4Å; V275-V312 HydrophobicContact CG2-CG1 4.11Å
276D94.7Very high94.5Very high0 Ų028 Ų280%016%0.156CC..EExtended strand (participates in β ladder)trans-133.7144.5171.461.3-7000112.4I267 C268 W270 K274 R278 V285 F287I267-D276 CarbonylContact C-O 3.52Å; I267-D276 WeakPolarHBondContact CA-O 3.43Å; C268-D276 PolarHBondContact N-O 2.74Å; C268-D276 PolarHBondContact O-N 2.85Å; C268-D276 VanDerWaalsContact O-N 3.09Å; W270-D276 PolarHBondContact NE1-OD1 3.17Å; K274-D276 VanDerWaalsContact CE-OD2 3.32Å; K274-D276 WeakPolarHBondContact CE-OD2 3.34Å; K274-D276 IonicContact NZ-OD2 3.63Å; K274-D276 PolarHBondContact NZ-OD2 2.82Å; D276-R278 IonicContact OD2-CZ 3.28Å; D276-R278 IonicContact OD2-NE 2.7Å; D276-R278 PolarHBondContact OD2-NE 2.72Å; D276-R278 IonicContact OD2-NH2 2.79Å; D276-R278 PolarHBondContact OD2-NH2 3.4Å; D276-V285 HydrophobicContact CB-CG1 4.14Å; D276-F287 CarbonylContact C-O 3.56Å; D276-F287 VanDerWaalsContact CA-O 3.25Å; D276-F287 WeakPolarHBondContact CA-O 3.47Å
277A94.5Very high94.1Very high0 Ų028.1 Ų28.10%016%0.156CC..EExtended strand (participates in β ladder)trans-109.5136.4170.300000110.4I258 E265 L266 I267 V285 V286 F287I258-A277 HydrophobicContact CD1-CB 3.46Å; I258-A277 VanDerWaalsContact CD1-CB 3.46Å; I258-A277 HydrophobicContact CG1-CB 4.49Å; E265-A277 HydrophobicContact CB-CB 4.39Å; L266-A277 WeakPolarHBondContact O-CA 3.15Å; I267-A277 HydrophobicContact CB-CB 4.32Å; I267-A277 HydrophobicContact CG1-CB 3.84Å; I267-A277 HydrophobicContact CG2-CB 4.19Å; A277-V285 CarbonylContact O-C 3.57Å; A277-V285 WeakPolarHBondContact O-CA 3.44Å; A277-V286 HydrophobicContact CB-CG2 4.04Å; A277-V286 WeakPolarHBondContact O-CG2 3.47Å; A277-V286 PolarHBondContact O-N 3.09Å; A277-F287 HydrophobicContact CB-CB 3.79Å; A277-F287 HydrophobicContact CB-CD1 4.25Å; A277-F287 PolarHBondContact N-O 2.8Å
278R95.1Very high93.9Very high29 Ų2934.5 Ų34.511%0.10918%0.184CC..EExtended strand (participates in β ladder)trans-128.7137.5-173.9-67.8174.8-179.1-90.3-4.9111.5W242 E265 L266 D276 R280 G283 V284 V285W242-R278 HydrophobicContact CH2-CB 3.97Å; W242-R278 HydrophobicContact CZ2-CB 4.09Å; E265-R278 WeakPolarHBondContact CA-O 3.22Å; E265-R278 VanDerWaalsContact CB-O 3.24Å; E265-R278 WeakPolarHBondContact CB-O 3.35Å; L266-R278 PolarHBondContact N-O 3.35Å; L266-R278 PolarHBondContact O-N 2.98Å; D276-R278 IonicContact OD2-CZ 3.28Å; D276-R278 IonicContact OD2-NE 2.7Å; D276-R278 PolarHBondContact OD2-NE 2.72Å; D276-R278 IonicContact OD2-NH2 2.79Å; D276-R278 PolarHBondContact OD2-NH2 3.4Å; R278-R280 PolarHBondContact O-N 3.07Å; R278-G283 PolarHBondContact NH1-O 3.35Å; R278-V284 VanDerWaalsContact CA-O 3.25Å; R278-V284 WeakPolarHBondContact CA-O 3.49Å; R278-V285 HydrophobicContact CG-CG2 4.01Å
279L94.3Very high93.6Very high32 Ų3235.5 Ų35.517%0.16819%0.189CC..  trans-56.7133.3174.7-67.2179000110.7W242 N259 E265 S281 N282 G283 V284 V286W242-L279 PolarHBondContact NE1-O 3.47Å; N259-L279 WeakPolarHBondContact ND2-CD2 3.17Å; E265-L279 HydrophobicContact CG-CD2 3.98Å; L279-S281 PolarHBondContact O-N 3.23Å; L279-N282 WeakPolarHBondContact CB-OD1 2.97Å; L279-G283 WeakPolarHBondContact O-CA 3.18Å; L279-G283 PolarHBondContact O-N 3.01Å; L279-V284 HydrophobicContact CD1-CB 4.27Å; L279-V284 PolarHBondContact N-O 2.84Å; L279-V286 HydrophobicContact CD1-CG1 4.27Å; L279-V286 HydrophobicContact CD2-CG1 3.74Å; L279-V286 HydrophobicContact CG-CG1 3.7Å
280R94.3Very high93.4Very high34 Ų3440.1 Ų40.113%0.12821%0.211CC..THydrogen-bonded Turntrans-62.2-27.6178.571.8179.5-166.4168.45.8113.3L218 W242 R278L218-R280 HydrophobicContact CD1-CB 4.04Å; L218-R280 PolarHBondContact O-NH1 3.39Å; W242-R280 PolarHBondContact NE1-O 3.41Å; R278-R280 PolarHBondContact O-N 3.07Å
281S93.4Very high93.2Very high75 Ų7540.2 Ų40.252%0.52421%0.211SC..THydrogen-bonded Turntrans-77.4-39.8-175.254.80000114.4L279L279-S281 PolarHBondContact O-N 3.23Å
282N92.9Very high93Very high87 Ų8743.3 Ų43.347%0.46523%0.228SC..THydrogen-bonded Turntrans-140.9-0.9-170.465.612.9000115.2L279 V284L279-N282 WeakPolarHBondContact CB-OD1 2.97Å; N282-V284 VanDerWaalsContact C-N 3.28Å; N282-V284 PolarHBondContact O-N 3.47Å; N282-V284 WeakPolarHBondContact OD1-CB 3.35Å; N282-V284 VanDerWaalsContact OD1-CG2 3.28Å; N282-V284 WeakPolarHBondContact OD1-CG2 3.16Å; N282-V284 PolarHBondContact OD1-N 3.29Å; N282-V284 VanDerWaalsContact OD1-N 3.09Å
283G92.6Very high93Very high5 Ų543.7 Ų43.75%0.05223%0.23CC..  trans75.110.117600000115.8R278 L279R278-G283 PolarHBondContact NH1-O 3.35Å; L279-G283 WeakPolarHBondContact O-CA 3.18Å; L279-G283 PolarHBondContact O-N 3.01Å
284V91.3Very high93Very high78 Ų7844.9 Ų44.947%0.47324%0.238SC..  trans-65.3134.8174.5172.80000109.7R278 L279 N282R278-V284 VanDerWaalsContact CA-O 3.25Å; R278-V284 WeakPolarHBondContact CA-O 3.49Å; L279-V284 HydrophobicContact CD1-CB 4.27Å; L279-V284 PolarHBondContact N-O 2.84Å; N282-V284 VanDerWaalsContact C-N 3.28Å; N282-V284 PolarHBondContact O-N 3.47Å; N282-V284 WeakPolarHBondContact OD1-CB 3.35Å; N282-V284 VanDerWaalsContact OD1-CG2 3.28Å; N282-V284 WeakPolarHBondContact OD1-CG2 3.16Å; N282-V284 PolarHBondContact OD1-N 3.29Å; N282-V284 VanDerWaalsContact OD1-N 3.09Å
285V91.9Very high93.1Very high58 Ų5843.1 Ų43.135%0.35223%0.23SC..EExtended strand (participates in β ladder)trans-76.3122.5179.3-1790000109.9D276 A277 R278 F287 K288D276-V285 HydrophobicContact CB-CG1 4.14Å; A277-V285 CarbonylContact O-C 3.57Å; A277-V285 WeakPolarHBondContact O-CA 3.44Å; R278-V285 HydrophobicContact CG-CG2 4.01Å; V285-F287 VanDerWaalsContact CG1-O 3.27Å; V285-F287 WeakPolarHBondContact CG1-O 3.49Å; V285-K288 HydrophobicContact CG1-CB 4.29Å
286V89.9Confident93.1Very high36 Ų3643.1 Ų43.122%0.21823%0.23CC..EExtended strand (participates in β ladder)trans-103.1-23.6176.5-66.30000112.6M1 E265 A277 L279M1-V286 PolarHBondContact N-O 3.13Å; E265-V286 HydrophobicContact CG-CG2 4.13Å; A277-V286 HydrophobicContact CB-CG2 4.04Å; A277-V286 WeakPolarHBondContact O-CG2 3.47Å; A277-V286 PolarHBondContact O-N 3.09Å; L279-V286 HydrophobicContact CD1-CG1 4.27Å; L279-V286 HydrophobicContact CD2-CG1 3.74Å; L279-V286 HydrophobicContact CG-CG1 3.7Å
287F88.4Confident93Very high3 Ų343.2 Ų43.21%0.01323%0.232CC..EExtended strand (participates in β ladder)trans-144.2141.6-175.6176.1-107.6000110.6M1 A3 I258 V275 D276 A277 V285 I289 L310M1-F287 WeakPolarHBondContact O-CD2 3.4Å; A3-F287 HydrophobicContact CB-CD2 4.47Å; A3-F287 HydrophobicContact CB-CE2 3.41Å; A3-F287 VanDerWaalsContact CB-CE2 3.41Å; A3-F287 HydrophobicContact CB-CZ 3.89Å; I258-F287 HydrophobicContact CD1-CB 4.24Å; I258-F287 HydrophobicContact CD1-CD1 4.12Å; I258-F287 HydrophobicContact CD1-CG 4.28Å; V275-F287 HydrophobicContact CG1-CE1 4.47Å; D276-F287 CarbonylContact C-O 3.56Å; D276-F287 VanDerWaalsContact CA-O 3.25Å; D276-F287 WeakPolarHBondContact CA-O 3.47Å; A277-F287 HydrophobicContact CB-CB 3.79Å; A277-F287 HydrophobicContact CB-CD1 4.25Å; A277-F287 PolarHBondContact N-O 2.8Å; V285-F287 VanDerWaalsContact CG1-O 3.27Å; V285-F287 WeakPolarHBondContact CG1-O 3.49Å; F287-I289 HydrophobicContact CE1-CD1 3.57Å; F287-I289 HydrophobicContact CE1-CG1 3.99Å; F287-I289 HydrophobicContact CE2-CD1 3.91Å; F287-I289 HydrophobicContact CE2-CG1 4.08Å; F287-I289 HydrophobicContact CZ-CD1 3.06Å; F287-I289 HydrophobicContact CZ-CG1 3.6Å; F287-L310 HydrophobicContact CE1-CD2 3.52Å; F287-L310 HydrophobicContact CZ-CD2 3.96Å
288K91.2Very high93Very high133 Ų13344 Ų4458%0.57824%0.236SC*.EExtended strand (participates in β ladder)trans-152.2134.6179.1-175.6-176.5170.2-168.10111V275 V285V275-K288 CarbonylContact O-C 3.6Å; V275-K288 VanDerWaalsContact O-CA 3.28Å; V275-K288 WeakPolarHBondContact O-CA 3.39Å; V285-K288 HydrophobicContact CG1-CB 4.29Å
289I91.6Very high92.9Very high21 Ų2144.2 Ų44.211%0.10824%0.24CC..EExtended strand (participates in β ladder)trans-130152.1171.1-68.1167.9000108.9K274 V275 F287 L291 Y322K274-I289 WeakPolarHBondContact CA-O 3.35Å; V275-I289 HydrophobicContact CB-CB 4.32Å; V275-I289 PolarHBondContact N-O 2.75Å; V275-I289 PolarHBondContact O-N 3.46Å; F287-I289 HydrophobicContact CE1-CD1 3.57Å; F287-I289 HydrophobicContact CE1-CG1 3.99Å; F287-I289 HydrophobicContact CE2-CD1 3.91Å; F287-I289 HydrophobicContact CE2-CG1 4.08Å; F287-I289 HydrophobicContact CZ-CD1 3.06Å; F287-I289 HydrophobicContact CZ-CG1 3.6Å; I289-L291 HydrophobicContact CG2-CD2 4.21Å; I289-L291 HydrophobicContact CG2-CG 4.29Å; I289-Y322 HydrophobicContact CD1-CD1 3.65Å; I289-Y322 HydrophobicContact CD1-CD2 3.62Å; I289-Y322 HydrophobicContact CD1-CE1 3.54Å; I289-Y322 HydrophobicContact CD1-CE2 3.51Å; I289-Y322 HydrophobicContact CD1-CG 3.68Å; I289-Y322 VanDerWaalsContact CD1-CZ 3.46Å; I289-Y322 HydrophobicContact CG1-CE1 4.34Å; I289-Y322 HydrophobicContact CG2-CE2 4.47Å; I289-Y322 WeakPolarHBondContact CG2-OH 3.3Å
290Q92.9Very high92.6Very high98 Ų9843.8 Ų43.846%0.45824%0.239SC..EExtended strand (participates in β ladder)trans-120.3123.8167.3-174.762.151.800109.5N272N272-Q290 PolarHBondContact O-NE2 3.13Å
291L92Very high92.2Very high2 Ų243.5 Ų43.51%0.0125%0.247CC..  trans-100.1164.9170.9-56.6164.6000109.3G273 V275 I289 V295 V312 T314 R320G273-L291 VanDerWaalsContact O-CB 3.27Å; G273-L291 WeakPolarHBondContact O-CB 3.18Å; G273-L291 WeakPolarHBondContact O-CG 3.37Å; G273-L291 PolarHBondContact O-N 3.01Å; V275-L291 HydrophobicContact CG2-CD1 4.14Å; I289-L291 HydrophobicContact CG2-CD2 4.21Å; I289-L291 HydrophobicContact CG2-CG 4.29Å; L291-V295 HydrophobicContact CD1-CG2 3.89Å; L291-V312 HydrophobicContact CD1-CB 4.36Å; L291-V312 HydrophobicContact CD1-CG1 3.46Å; L291-V312 VanDerWaalsContact CD1-CG1 3.46Å; L291-T314 HydrophobicContact CB-CG2 4.21Å; L291-T314 HydrophobicContact CD1-CG2 4.02Å; L291-R320 HydrophobicContact CD2-CG 4.17Å
292D92.1Very high91.7Very high125 Ų12544 Ų4467%0.66824%0.243SC*.SBendtrans-77.8-30.4-177.8-56.4-55000112.1R320D292-R320 IonicContact OD2-CZ 2.93Å; D292-R320 IonicContact OD2-NH2 2.83Å; D292-R320 PolarHBondContact OD2-NH2 3.45Å
293D94.2Very high91.1Very high63 Ų6340 Ų4034%0.33722%0.221SC..SBendtrans-126.4166.6-176.5-78.9-52.1000113G273 V295 T314 E316G273-D293 WeakPolarHBondContact CA-O 3.29Å; D293-V295 PolarHBondContact O-N 2.87Å; D293-T314 HydrophobicContact CB-CG2 4.38Å; D293-E316 HydrophobicContact CB-CG 4.35Å; D293-E316 WeakPolarHBondContact OD2-CG 3.14Å
294C95.3Very high90.3Very high26 Ų2640.9 Ų40.918%0.17622%0.223CC..  trans-51.1133.3176.4-179.80000112.2N271 A296 T314 I315N271-C294 WeakPolarHBondContact CA-SG 3.26Å; N271-C294 WeakPolarHBondContact O-CA 3.5Å; N271-C294 WeakPolarHBondContact O-CB 3.44Å; N271-C294 PolarHBondContact O-SG 2.9Å; C294-A296 PolarHBondContact O-N 3.25Å; C294-T314 CarbonylContact O-C 3.44Å; C294-T314 VanDerWaalsContact O-CA 3.24Å; C294-T314 WeakPolarHBondContact O-CA 3.45Å; C294-T314 WeakPolarHBondContact O-CB 3.27Å; C294-I315 HydrophobicContact CB-CD1 3.62Å; C294-I315 HydrophobicContact CB-CG1 3.99Å; C294-I315 PolarHBondContact O-N 2.86Å; C294-I315 WeakPolarHBondContact SG-CD1 3.36Å
295V96.4Very high89.4Confident0 Ų040.5 Ų40.50%024%0.236CC..EExtended strand (participates in β ladder)trans-69.7123.1174.2-173.40000109.4I251 W270 V275 L291 D293 M298 V312I251-V295 WeakPolarHBondContact CG2-O 3.44Å; W270-V295 PolarHBondContact O-N 3.01Å; V275-V295 HydrophobicContact CG2-CG2 3.87Å; L291-V295 HydrophobicContact CD1-CG2 3.89Å; D293-V295 PolarHBondContact O-N 2.87Å; V295-M298 HydrophobicContact CG1-CG 3.72Å; V295-M298 HydrophobicContact CG1-SD 3.94Å; V295-V312 HydrophobicContact CG1-CG1 3.8Å; V295-V312 HydrophobicContact CG2-CG1 4.47Å
296A95Very high88.7Confident0 Ų039.8 Ų39.80%023%0.228CC..EExtended strand (participates in β ladder)trans-88.5-39.4174.700000111.9I15 E18 V20 C294 C313 I315I15-A296 HydrophobicContact CB-CB 4.01Å; I15-A296 HydrophobicContact CG2-CB 3.75Å; E18-A296 PolarHBondContact N-O 3.19Å; V20-A296 HydrophobicContact CG2-CB 4.45Å; C294-A296 PolarHBondContact O-N 3.25Å; A296-C313 PolarHBondContact N-O 3.24Å; A296-I315 HydrophobicContact CB-CG1 3.94Å
297G94.2Very high88.2Confident3 Ų340.2 Ų40.23%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-167.3160.3-177.800000112.9C313G297-C313 PolarHBondContact N-O 2.72Å; G297-C313 PolarHBondContact O-N 3.45Å
298M94.5Very high88Confident16 Ų1641.3 Ų41.38%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-145.3149.7-176.2-68.9173.855.900110.6C252 V254 I267 G269 V275 V295 L310 L311 V312C252-M298 VanDerWaalsContact SG-CG 3.51Å; C252-M298 VanDerWaalsContact SG-SD 3.62Å; V254-M298 HydrophobicContact CG2-CB 3.56Å; V254-M298 HydrophobicContact CG2-CE 4.47Å; V254-M298 WeakPolarHBondContact CG2-O 3.14Å; I267-M298 HydrophobicContact CB-CE 4.37Å; I267-M298 HydrophobicContact CG2-CE 3.44Å; I267-M298 VanDerWaalsContact CG2-CE 3.44Å; G269-M298 WeakPolarHBondContact CA-SD 3.49Å; V275-M298 HydrophobicContact CG1-CE 3.46Å; V275-M298 VanDerWaalsContact CG1-CE 3.46Å; V275-M298 HydrophobicContact CG1-SD 4Å; V275-M298 HydrophobicContact CG2-CE 4.43Å; V275-M298 HydrophobicContact CG2-SD 4Å; V295-M298 HydrophobicContact CG1-CG 3.72Å; V295-M298 HydrophobicContact CG1-SD 3.94Å; M298-L310 HydrophobicContact CE-CD1 3.84Å; M298-L310 HydrophobicContact CE-CD2 4.44Å; M298-L311 CarbonylContact C-O 3.59Å; M298-L311 VanDerWaalsContact CA-O 3.28Å; M298-L311 WeakPolarHBondContact CA-O 3.28Å; M298-V312 HydrophobicContact CE-CG2 4.39Å; M298-V312 HydrophobicContact CG-CB 4.33Å; M298-V312 HydrophobicContact CG-CG1 3.81Å; M298-V312 HydrophobicContact CG-CG2 4.13Å; M298-V312 HydrophobicContact SD-CG1 4.49Å
299T91.5Very high87.8Confident33 Ų3335 Ų3520%0.20221%0.209CC..EExtended strand (participates in β ladder)trans-148.7163165.9-162.20000111F22 L310 L311F22-T299 HydrophobicContact CB-CG2 3.92Å; F22-T299 HydrophobicContact CD1-CG2 3.34Å; F22-T299 HydrophobicContact CD2-CG2 3.32Å; F22-T299 HydrophobicContact CE1-CG2 3.4Å; F22-T299 VanDerWaalsContact CE1-CG2 3.4Å; F22-T299 HydrophobicContact CE2-CG2 3.4Å; F22-T299 VanDerWaalsContact CE2-CG2 3.4Å; F22-T299 HydrophobicContact CG-CG2 3.27Å; F22-T299 HydrophobicContact CZ-CG2 3.42Å; F22-T299 VanDerWaalsContact CZ-CG2 3.42Å; T299-L310 WeakPolarHBondContact O-CA 3.11Å; T299-L311 HydrophobicContact CG2-CB 3.82Å; T299-L311 PolarHBondContact N-O 2.55Å; T299-L311 PolarHBondContact O-N 3.42Å
300V89.7Confident87.8Confident24 Ų2434 Ų3415%0.14520%0.204CC..EExtended strand (participates in β ladder)trans-119.6136.7163.1178.90000109.1V254 H256 I267 D308 V309 L310 L324V254-V300 HydrophobicContact CG1-CB 4.18Å; V254-V300 HydrophobicContact CG1-CG2 3.8Å; H256-V300 HydrophobicContact CB-CB 4.12Å; H256-V300 HydrophobicContact CB-CG1 4.23Å; H256-V300 HydrophobicContact CB-CG2 3.9Å; I267-V300 HydrophobicContact CD1-CG2 4.12Å; V300-D308 WeakPolarHBondContact CG1-OD1 3.44Å; V300-V309 VanDerWaalsContact CA-O 3.32Å; V300-V309 WeakPolarHBondContact CA-O 3.45Å; V300-L310 HydrophobicContact CG2-CB 4.24Å; V300-L310 HydrophobicContact CG2-CD1 3.45Å; V300-L310 VanDerWaalsContact CG2-CD1 3.45Å; V300-L310 HydrophobicContact CG2-CG 4.47Å; V300-L324 HydrophobicContact CB-CD1 4.47Å; V300-L324 HydrophobicContact CG1-CD1 3.54Å; V300-L324 HydrophobicContact CG2-CD1 4.05Å
301G85.2Confident87.8Confident28 Ų2829.4 Ų29.429%0.28918%0.183SC..EExtended strand (participates in β ladder)trans171.3-174.2174.900000112.7V309G301-V309 PolarHBondContact N-O 2.83Å; G301-V309 VanDerWaalsContact N-O 3.09Å; G301-V309 WeakPolarHBondContact O-CG2 3.3Å; G301-V309 PolarHBondContact O-N 2.8Å
302D83.3Confident87.9Confident84 Ų8429.4 Ų29.445%0.44918%0.183SC..EExtended strand (participates in β ladder)trans-80.4135.5174-65.6-10.7000109.9Y30 F306 T307 D308Y30-D302 WeakPolarHBondContact CB-O 3.27Å; D302-F306 CarbonylContact C-O 3.59Å; D302-F306 VanDerWaalsContact CA-O 3.24Å; D302-F306 WeakPolarHBondContact CA-O 3.31Å; D302-T307 WeakPolarHBondContact OD1-CA 3.04Å; D302-D308 PolarHBondContact OD1-N 2.74Å
303Y79.8Confident88Confident3 Ų323.4 Ų23.41%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-141.3116.5-177.6-168.5-102.2000111F7 Y30 Y44 P46 F48 G305 F306 L311F7-Y303 AromaticContact CE1-CD1 3.79Å; F7-Y303 HydrophobicContact CE1-CD1 3.79Å; F7-Y303 AromaticContact CE1-CE1 3.76Å; F7-Y303 HydrophobicContact CE1-CE1 3.76Å; F7-Y303 HydrophobicContact CZ-CD1 4.12Å; F7-Y303 AromaticContact CZ-CE1 3.63Å; F7-Y303 HydrophobicContact CZ-CE1 3.63Å; Y30-Y303 VanDerWaalsContact O-CD2 3.24Å; Y30-Y303 WeakPolarHBondContact O-CD2 3.48Å; Y30-Y303 VanDerWaalsContact O-CE2 3.26Å; Y30-Y303 WeakPolarHBondContact O-CE2 3.32Å; Y44-Y303 WeakPolarHBondContact CE1-OH 3.29Å; P46-Y303 WeakPolarHBondContact CD-OH 3.43Å; P46-Y303 VanDerWaalsContact CG-OH 3.29Å; P46-Y303 WeakPolarHBondContact CG-OH 3.42Å; F48-Y303 HydrophobicContact CE2-CD1 4.39Å; F48-Y303 AromaticContact CE2-CE1 3.73Å; F48-Y303 HydrophobicContact CE2-CE1 3.73Å; F48-Y303 HydrophobicContact CZ-CD1 4.49Å; F48-Y303 AromaticContact CZ-CE1 3.74Å; F48-Y303 HydrophobicContact CZ-CE1 3.74Å; Y303-G305 VanDerWaalsContact C-N 3.31Å; Y303-G305 PolarHBondContact O-N 3.38Å; Y303-F306 PolarHBondContact N-O 2.89Å; Y303-F306 WeakPolarHBondContact O-CB 3.33Å; Y303-F306 WeakPolarHBondContact O-CD2 3.38Å; Y303-F306 PolarHBondContact O-N 3.39Å; Y303-L311 HydrophobicContact CD1-CD1 3.93Å; Y303-L311 HydrophobicContact CD2-CD1 3.51Å; Y303-L311 HydrophobicContact CE1-CD1 4.4Å; Y303-L311 HydrophobicContact CE2-CD1 4.05Å; Y303-L311 HydrophobicContact CG-CD1 3.44Å; Y303-L311 VanDerWaalsContact CG-CD1 3.44Å
304Y75.5Confident88.1Confident24 Ų2420.5 Ų20.59%0.09414%0.135CC..THydrogen-bonded Turntrans42.152.3178.2-74.5-97000114.4H29 V31 N45 P46 F48 F306H29-Y304 HydrophobicContact CB-CD1 4.31Å; H29-Y304 HydrophobicContact CB-CD2 4.3Å; H29-Y304 HydrophobicContact CB-CE1 4.16Å; H29-Y304 HydrophobicContact CB-CE2 4.14Å; H29-Y304 HydrophobicContact CB-CG 4.4Å; H29-Y304 AromaticContact CD2-CD1 3.69Å; H29-Y304 AromaticContact CD2-CE1 3.58Å; H29-Y304 AromaticContact CG-CD1 3.96Å; V31-Y304 HydrophobicContact CG1-CE2 4.03Å; V31-Y304 WeakPolarHBondContact CG1-OH 3.37Å; N45-Y304 WeakPolarHBondContact CA-OH 3.31Å; N45-Y304 PolarHBondContact OD1-OH 3.03Å; P46-Y304 HydrophobicContact CG-CE2 4.3Å; P46-Y304 VanDerWaalsContact O-CE1 3.31Å; P46-Y304 WeakPolarHBondContact O-CE1 3.38Å; F48-Y304 AromaticContact CD2-CD1 3.65Å; F48-Y304 HydrophobicContact CD2-CD1 3.65Å; F48-Y304 HydrophobicContact CD2-CD2 4.17Å; F48-Y304 HydrophobicContact CD2-CE1 4.34Å; F48-Y304 AromaticContact CD2-CG 3.52Å; F48-Y304 HydrophobicContact CD2-CG 3.52Å; F48-Y304 AromaticContact CE2-CD1 3.99Å; F48-Y304 HydrophobicContact CE2-CD1 3.99Å; F48-Y304 AromaticContact CE2-CD2 3.66Å; F48-Y304 HydrophobicContact CE2-CD2 3.66Å; F48-Y304 HydrophobicContact CE2-CE2 4.24Å; F48-Y304 AromaticContact CE2-CG 3.49Å; F48-Y304 HydrophobicContact CE2-CG 3.49Å; F48-Y304 VanDerWaalsContact CE2-CG 3.49Å; Y304-F306 VanDerWaalsContact C-N 3.26Å; Y304-F306 PolarHBondContact O-N 2.9Å
305G71.9Confident88.1Confident71 Ų7121.2 Ų21.273%0.73214%0.137SC*.THydrogen-bonded Turntrans84.4-12177.800000114.9Y303Y303-G305 VanDerWaalsContact C-N 3.31Å; Y303-G305 PolarHBondContact O-N 3.38Å
306F77.4Confident88Confident43 Ų4324.3 Ų24.319%0.18915%0.151CC..EExtended strand (participates in β ladder)trans-78.1134.9163.1-57.1-70.9000109.3V6 H50 T56 D302 Y303 Y304 V309V6-F306 HydrophobicContact CG1-CD1 3.53Å; V6-F306 HydrophobicContact CG1-CD2 3.89Å; V6-F306 HydrophobicContact CG1-CE1 3.3Å; V6-F306 HydrophobicContact CG1-CE2 3.67Å; V6-F306 HydrophobicContact CG1-CG 3.83Å; V6-F306 HydrophobicContact CG1-CZ 3.39Å; H50-F306 AromaticContact CE1-CE2 3.66Å; H50-F306 AromaticContact CE1-CZ 3.65Å; H50-F306 AromaticContact ND1-CZ 3.81Å; T56-F306 HydrophobicContact CG2-CE2 3.9Å; T56-F306 HydrophobicContact CG2-CZ 3.75Å; T56-F306 VanDerWaalsContact OG1-CZ 3.23Å; T56-F306 WeakPolarHBondContact OG1-CZ 3.44Å; D302-F306 CarbonylContact C-O 3.59Å; D302-F306 VanDerWaalsContact CA-O 3.24Å; D302-F306 WeakPolarHBondContact CA-O 3.31Å; Y303-F306 PolarHBondContact N-O 2.89Å; Y303-F306 WeakPolarHBondContact O-CB 3.33Å; Y303-F306 WeakPolarHBondContact O-CD2 3.38Å; Y303-F306 PolarHBondContact O-N 3.39Å; Y304-F306 VanDerWaalsContact C-N 3.26Å; Y304-F306 PolarHBondContact O-N 2.9Å; F306-V309 HydrophobicContact CB-CG1 3.56Å; F306-V309 HydrophobicContact CB-CG2 4.34Å; F306-V309 HydrophobicContact CG-CG1 4.46Å
307T79.8Confident87.8Confident45 Ų4524.3 Ų24.328%0.27615%0.151SC..EExtended strand (participates in β ladder)trans-108.5137179.343.30000108.9D302 R325D302-T307 WeakPolarHBondContact OD1-CA 3.04Å; T307-R325 PolarHBondContact OG1-NE 3.33Å; T307-R325 PolarHBondContact OG1-NH1 2.97Å; T307-R325 VanDerWaalsContact OG1-NH1 3.12Å; T307-R325 PolarHBondContact OG1-NH2 2.51Å
308D84.1Confident87.7Confident25 Ų2524.9 Ų24.913%0.13415%0.154CC..EExtended strand (participates in β ladder)trans53.967.4178.6-159.99.7000113.4H256 Y260 V300 D302 L324H256-D308 IonicContact CD2-OD1 3.25Å; H256-D308 IonicContact CE1-OD1 2.74Å; H256-D308 PolarHBondContact CE1-OD1 3.41Å; H256-D308 IonicContact NE2-OD1 2.88Å; H256-D308 PolarHBondContact NE2-OD1 2.95Å; H256-D308 IonicContact NE2-OD2 3.33Å; H256-D308 PolarHBondContact NE2-OD2 3.06Å; Y260-D308 WeakPolarHBondContact CE1-OD2 3.14Å; Y260-D308 PolarHBondContact OH-OD2 3.07Å; V300-D308 WeakPolarHBondContact CG1-OD1 3.44Å; D302-D308 PolarHBondContact OD1-N 2.74Å; D308-L324 WeakPolarHBondContact O-CB 3.46Å; D308-L324 PolarHBondContact O-N 2.94Å
309V88Confident87.6Confident0 Ų024.1 Ų24.10%015%0.15CC..EExtended strand (participates in β ladder)trans-115.8141178.6-67.20000112.1V300 G301 F306 L311 C321 Y322V300-V309 VanDerWaalsContact CA-O 3.32Å; V300-V309 WeakPolarHBondContact CA-O 3.45Å; G301-V309 PolarHBondContact N-O 2.83Å; G301-V309 VanDerWaalsContact N-O 3.09Å; G301-V309 WeakPolarHBondContact O-CG2 3.3Å; G301-V309 PolarHBondContact O-N 2.8Å; F306-V309 HydrophobicContact CB-CG1 3.56Å; F306-V309 HydrophobicContact CB-CG2 4.34Å; F306-V309 HydrophobicContact CG-CG1 4.46Å; V309-L311 HydrophobicContact CG2-CD1 4.46Å; V309-C321 VanDerWaalsContact CB-SG 3.51Å; V309-Y322 CarbonylContact C-O 3.52Å; V309-Y322 VanDerWaalsContact CA-O 3.27Å; V309-Y322 WeakPolarHBondContact CA-O 3.11Å; V309-Y322 WeakPolarHBondContact CB-O 3.45Å
310L91.4Very high87.5Confident0 Ų024.4 Ų24.40%015%0.147CC..EExtended strand (participates in β ladder)trans-87.6109.2169.4178.770.6000109.1I267 F287 M298 T299 V300 V312 C321 Y322 L324I267-L310 HydrophobicContact CD1-CD1 4.38Å; F287-L310 HydrophobicContact CE1-CD2 3.52Å; F287-L310 HydrophobicContact CZ-CD2 3.96Å; M298-L310 HydrophobicContact CE-CD1 3.84Å; M298-L310 HydrophobicContact CE-CD2 4.44Å; T299-L310 WeakPolarHBondContact O-CA 3.11Å; V300-L310 HydrophobicContact CG2-CB 4.24Å; V300-L310 HydrophobicContact CG2-CD1 3.45Å; V300-L310 VanDerWaalsContact CG2-CD1 3.45Å; V300-L310 HydrophobicContact CG2-CG 4.47Å; L310-V312 HydrophobicContact CD2-CG2 4.11Å; L310-V312 HydrophobicContact CG-CG2 3.89Å; L310-C321 WeakPolarHBondContact O-CA 3.37Å; L310-Y322 PolarHBondContact N-O 2.89Å; L310-Y322 PolarHBondContact O-N 3.32Å; L310-L324 HydrophobicContact CB-CD1 3.99Å; L310-L324 HydrophobicContact CB-CD2 4.44Å; L310-L324 HydrophobicContact CB-CG 4.24Å
311L91.9Very high87.5Confident3 Ų323.3 Ų23.32%0.01614%0.14CC..EExtended strand (participates in β ladder)trans-92.6127.9172.8-101.6147.2000109.6F7 F22 M298 T299 Y303 V309 I319 C321F7-L311 HydrophobicContact CZ-CD2 4.14Å; F22-L311 HydrophobicContact CD1-CD1 4.48Å; F22-L311 HydrophobicContact CE1-CB 3.79Å; F22-L311 HydrophobicContact CE1-CD1 3.99Å; F22-L311 HydrophobicContact CE1-CD2 4.32Å; F22-L311 HydrophobicContact CE1-CG 4.25Å; F22-L311 HydrophobicContact CZ-CB 3.93Å; M298-L311 CarbonylContact C-O 3.59Å; M298-L311 VanDerWaalsContact CA-O 3.28Å; M298-L311 WeakPolarHBondContact CA-O 3.28Å; T299-L311 HydrophobicContact CG2-CB 3.82Å; T299-L311 PolarHBondContact N-O 2.55Å; T299-L311 PolarHBondContact O-N 3.42Å; Y303-L311 HydrophobicContact CD1-CD1 3.93Å; Y303-L311 HydrophobicContact CD2-CD1 3.51Å; Y303-L311 HydrophobicContact CE1-CD1 4.4Å; Y303-L311 HydrophobicContact CE2-CD1 4.05Å; Y303-L311 HydrophobicContact CG-CD1 3.44Å; Y303-L311 VanDerWaalsContact CG-CD1 3.44Å; V309-L311 HydrophobicContact CG2-CD1 4.46Å; L311-I319 HydrophobicContact CD2-CG2 3.51Å; L311-C321 HydrophobicContact CD2-CB 4.36Å; L311-C321 HydrophobicContact CG-CB 4.32Å
312V94.1Very high87.6Confident1 Ų122.6 Ų22.61%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-128129.8178.5-170.20000109.8V275 L291 V295 M298 L310 I319 R320 Y322V275-V312 HydrophobicContact CG2-CG1 4.11Å; L291-V312 HydrophobicContact CD1-CB 4.36Å; L291-V312 HydrophobicContact CD1-CG1 3.46Å; L291-V312 VanDerWaalsContact CD1-CG1 3.46Å; V295-V312 HydrophobicContact CG1-CG1 3.8Å; V295-V312 HydrophobicContact CG2-CG1 4.47Å; M298-V312 HydrophobicContact CE-CG2 4.39Å; M298-V312 HydrophobicContact CG-CB 4.33Å; M298-V312 HydrophobicContact CG-CG1 3.81Å; M298-V312 HydrophobicContact CG-CG2 4.13Å; M298-V312 HydrophobicContact SD-CG1 4.49Å; L310-V312 HydrophobicContact CD2-CG2 4.11Å; L310-V312 HydrophobicContact CG-CG2 3.89Å; V312-I319 WeakPolarHBondContact O-CA 3.27Å; V312-R320 PolarHBondContact N-O 2.85Å; V312-R320 PolarHBondContact O-N 2.99Å; V312-Y322 HydrophobicContact CG2-CD2 4.35Å; V312-Y322 HydrophobicContact CG2-CE2 4.28Å
313C94.6Very high87.6Confident0 Ų020.1 Ų20.10%012%0.118CC..EExtended strand (participates in β ladder)trans-115.8135.9178.2-56.70000110.3I15 A296 G297 D318I15-C313 HydrophobicContact CD1-CB 3.96Å; A296-C313 PolarHBondContact N-O 3.24Å; G297-C313 PolarHBondContact N-O 2.72Å; G297-C313 PolarHBondContact O-N 3.45Å; C313-D318 CarbonylContact C-O 3.58Å; C313-D318 VanDerWaalsContact CA-O 3.31Å; C313-D318 WeakPolarHBondContact CA-O 3.4Å
314T95.9Very high87.5Confident1 Ų120.4 Ų20.41%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-95.5163.5173.2690000111.7L291 D293 C294 E316 G317 D318L291-T314 HydrophobicContact CB-CG2 4.21Å; L291-T314 HydrophobicContact CD1-CG2 4.02Å; D293-T314 HydrophobicContact CB-CG2 4.38Å; C294-T314 CarbonylContact O-C 3.44Å; C294-T314 VanDerWaalsContact O-CA 3.24Å; C294-T314 WeakPolarHBondContact O-CA 3.45Å; C294-T314 WeakPolarHBondContact O-CB 3.27Å; T314-E316 PolarHBondContact O-N 3.41Å; T314-G317 PolarHBondContact O-N 3.06Å; T314-G317 VanDerWaalsContact O-N 3.09Å; T314-D318 HydrophobicContact CG2-CB 4.17Å; T314-D318 PolarHBondContact N-O 3.26Å; T314-D318 WeakPolarHBondContact OG1-CB 3.35Å; T314-D318 PolarHBondContact OG1-N 3.35Å
315I95.2Very high87.2Confident42 Ų4226.3 Ų26.322%0.21514%0.142CC..THydrogen-bonded Turntrans-60.6-33176.1-67.7-175.7000111.9K14 I15 P17 C294 A296 G317K14-I315 CarbonylContact C-O 3.59Å; K14-I315 VanDerWaalsContact CA-O 3.23Å; K14-I315 WeakPolarHBondContact CA-O 3.48Å; I15-I315 PolarHBondContact N-O 2.9Å; P17-I315 HydrophobicContact CB-CD1 4.26Å; P17-I315 HydrophobicContact CG-CD1 4.34Å; C294-I315 HydrophobicContact CB-CD1 3.62Å; C294-I315 HydrophobicContact CB-CG1 3.99Å; C294-I315 PolarHBondContact O-N 2.86Å; C294-I315 WeakPolarHBondContact SG-CD1 3.36Å; A296-I315 HydrophobicContact CB-CG1 3.94Å; I315-G317 PolarHBondContact O-N 2.97Å
316E94.3Very high86.4Confident64 Ų6429.8 Ų29.830%0.29913%0.133SC..THydrogen-bonded Turntrans-82.76.3178.7-64.6-60.2138.200113.4K14 D293 T314K14-E316 VanDerWaalsContact CE-OE2 3.24Å; K14-E316 WeakPolarHBondContact CE-OE2 3.44Å; K14-E316 IonicContact NZ-OE1 2.7Å; K14-E316 PolarHBondContact NZ-OE1 2.85Å; K14-E316 IonicContact NZ-OE2 2.69Å; K14-E316 PolarHBondContact NZ-OE2 2.98Å; D293-E316 HydrophobicContact CB-CG 4.35Å; D293-E316 WeakPolarHBondContact OD2-CG 3.14Å; T314-E316 PolarHBondContact O-N 3.41Å
317G91.2Very high85Confident0 Ų030.3 Ų30.30%014%0.143CC..  trans86.816.6174.100000114.8K10 I11 T314 I315K10-G317 WeakPolarHBondContact CA-O 3.28Å; I11-G317 VanDerWaalsContact CG1-CA 3.49Å; I11-G317 VanDerWaalsContact CG1-O 3.27Å; I11-G317 WeakPolarHBondContact CG1-O 3.45Å; I11-G317 PolarHBondContact N-O 2.97Å; T314-G317 PolarHBondContact O-N 3.06Å; T314-G317 VanDerWaalsContact O-N 3.09Å; I315-G317 PolarHBondContact O-N 2.97Å
318D93Very high83.3Confident16 Ų1637.7 Ų37.79%0.08617%0.171CC..EExtended strand (participates in β ladder)trans-78.9125.9170.9-55.8-40.9000109.4D9 K10 C313 T314D9-D318 WeakPolarHBondContact O-CA 3.32Å; K10-D318 VanDerWaalsContact CD-OD1 3.32Å; K10-D318 WeakPolarHBondContact CD-OD1 3.27Å; K10-D318 WeakPolarHBondContact CE-OD1 3.42Å; K10-D318 VanDerWaalsContact CG-OD1 3.28Å; K10-D318 WeakPolarHBondContact CG-OD1 3.44Å; K10-D318 IonicContact NZ-OD1 3.23Å; K10-D318 PolarHBondContact NZ-OD1 3.16Å; K10-D318 IonicContact NZ-OD2 3.87Å; C313-D318 CarbonylContact C-O 3.58Å; C313-D318 VanDerWaalsContact CA-O 3.31Å; C313-D318 WeakPolarHBondContact CA-O 3.4Å; T314-D318 HydrophobicContact CG2-CB 4.17Å; T314-D318 PolarHBondContact N-O 3.26Å; T314-D318 WeakPolarHBondContact OG1-CB 3.35Å; T314-D318 PolarHBondContact OG1-N 3.35Å
319I91.4Very high81.2Confident0 Ų043.7 Ų43.70%020%0.203CC..EExtended strand (participates in β ladder)trans-110.5119.3176.9-57175.2000107.3F7 C8 D9 I11 L32 Y44 L311 V312F7-I319 HydrophobicContact CE2-CG2 4.13Å; F7-I319 HydrophobicContact CZ-CG2 4.27Å; C8-I319 CarbonylContact C-O 3.58Å; C8-I319 WeakPolarHBondContact CA-O 3.4Å; D9-I319 HydrophobicContact CB-CB 4.44Å; D9-I319 PolarHBondContact N-O 3.13Å; D9-I319 PolarHBondContact O-N 3.31Å; I11-I319 HydrophobicContact CG2-CD1 3.65Å; I11-I319 HydrophobicContact CG2-CG1 4.49Å; L32-I319 HydrophobicContact CD2-CD1 3.63Å; L32-I319 HydrophobicContact CD2-CG1 4.36Å; Y44-I319 HydrophobicContact CD1-CD1 3.74Å; Y44-I319 HydrophobicContact CE1-CD1 3.56Å; Y44-I319 HydrophobicContact CG-CD1 4.33Å; L311-I319 HydrophobicContact CD2-CG2 3.51Å; V312-I319 WeakPolarHBondContact O-CA 3.27Å
320R90.5Very high79.1Confident39 Ų3949.7 Ų49.715%0.14723%0.231CC..EExtended strand (participates in β ladder)trans-118.7138.2174.5-59.4-165.6-168.8169.53.3110L291 D292 V312 Y322L291-R320 HydrophobicContact CD2-CG 4.17Å; D292-R320 IonicContact OD2-CZ 2.93Å; D292-R320 IonicContact OD2-NH2 2.83Å; D292-R320 PolarHBondContact OD2-NH2 3.45Å; V312-R320 PolarHBondContact N-O 2.85Å; V312-R320 PolarHBondContact O-N 2.99Å; R320-Y322 HydrophobicContact CB-CD2 4.44Å; R320-Y322 HydrophobicContact CB-CE2 3.56Å; R320-Y322 WeakPolarHBondContact CD-OH 3.36Å
321C88.3Confident76.7Confident0 Ų057.5 Ų57.50%027%0.272CS..EExtended strand (participates in β ladder)trans-121.5122.6-179.8-178.30000109.2N5 V6 F7 V309 L310 L311N5-C321 CarbonylContact C-O 3.35Å; N5-C321 PolarHBondContact OD1-O 3.47Å; N5-C321 VanDerWaalsContact OD1-O 3.11Å; V6-C321 HydrophobicContact CB-CB 4.48Å; V6-C321 PolarHBondContact N-O 3.14Å; F7-C321 HydrophobicContact CD1-CB 3.31Å; F7-C321 HydrophobicContact CE1-CB 3.17Å; F7-C321 HydrophobicContact CE2-CB 4.48Å; F7-C321 HydrophobicContact CG-CB 4.06Å; F7-C321 HydrophobicContact CZ-CB 3.81Å; F7-C321 PolarHBondContact O-N 3.36Å; V309-C321 VanDerWaalsContact CB-SG 3.51Å; L310-C321 WeakPolarHBondContact O-CA 3.37Å; L311-C321 HydrophobicContact CD2-CB 4.36Å; L311-C321 HydrophobicContact CG-CB 4.32Å
322Y87.9Confident74.5Confident13 Ų1361.5 Ų61.55%0.05129%0.293CS..EExtended strand (participates in β ladder)trans-114.2130.9-177.5-60.6-86000110.1A3 E4 N5 I289 V309 L310 V312 R320A3-Y322 HydrophobicContact CB-CD1 4.3Å; A3-Y322 HydrophobicContact CB-CG 4.44Å; E4-Y322 WeakPolarHBondContact O-CA 3.46Å; N5-Y322 HydrophobicContact CB-CD1 4.16Å; N5-Y322 HydrophobicContact CB-CE1 3.99Å; I289-Y322 HydrophobicContact CD1-CD1 3.65Å; I289-Y322 HydrophobicContact CD1-CD2 3.62Å; I289-Y322 HydrophobicContact CD1-CE1 3.54Å; I289-Y322 HydrophobicContact CD1-CE2 3.51Å; I289-Y322 HydrophobicContact CD1-CG 3.68Å; I289-Y322 VanDerWaalsContact CD1-CZ 3.46Å; I289-Y322 HydrophobicContact CG1-CE1 4.34Å; I289-Y322 HydrophobicContact CG2-CE2 4.47Å; I289-Y322 WeakPolarHBondContact CG2-OH 3.3Å; V309-Y322 CarbonylContact C-O 3.52Å; V309-Y322 VanDerWaalsContact CA-O 3.27Å; V309-Y322 WeakPolarHBondContact CA-O 3.11Å; V309-Y322 WeakPolarHBondContact CB-O 3.45Å; L310-Y322 PolarHBondContact N-O 2.89Å; L310-Y322 PolarHBondContact O-N 3.32Å; V312-Y322 HydrophobicContact CG2-CD2 4.35Å; V312-Y322 HydrophobicContact CG2-CE2 4.28Å; R320-Y322 HydrophobicContact CB-CD2 4.44Å; R320-Y322 HydrophobicContact CB-CE2 3.56Å; R320-Y322 WeakPolarHBondContact CD-OH 3.36Å
323S83.9Confident72.3Confident32 Ų3265 Ų6522%0.22432%0.317CS..EExtended strand (participates in β ladder)trans-76.9126.9173.6-165.80000110.1A3 E4A3-S323 WeakPolarHBondContact CB-O 3.44Å; E4-S323 PolarHBondContact O-N 3.42Å
324L78Confident70.2Confident10 Ų1070.6 Ų70.65%0.05234%0.344CS..  trans-88.2-16176.6-68149000111.9I258 V300 D308 L310 R326I258-L324 HydrophobicContact CB-CD2 4.05Å; I258-L324 HydrophobicContact CD1-CD2 3.83Å; I258-L324 HydrophobicContact CG1-CD2 3.68Å; I258-L324 HydrophobicContact CG2-CD2 3.67Å; V300-L324 HydrophobicContact CB-CD1 4.47Å; V300-L324 HydrophobicContact CG1-CD1 3.54Å; V300-L324 HydrophobicContact CG2-CD1 4.05Å; D308-L324 WeakPolarHBondContact O-CB 3.46Å; D308-L324 PolarHBondContact O-N 2.94Å; L310-L324 HydrophobicContact CB-CD1 3.99Å; L310-L324 HydrophobicContact CB-CD2 4.44Å; L310-L324 HydrophobicContact CB-CG 4.24Å; L324-R326 PolarHBondContact O-N 3.46Å
325R68.2Low68.2Low148 Ų14873.3 Ų73.356%0.55836%0.363SS*.SBendtrans-63.9124.1178.3-76.5-172.2170.5-177.91110.2T307 S327T307-R325 PolarHBondContact OG1-NE 3.33Å; T307-R325 PolarHBondContact OG1-NH1 2.97Å; T307-R325 VanDerWaalsContact OG1-NH1 3.12Å; T307-R325 PolarHBondContact OG1-NH2 2.51Å; R325-S327 PolarHBondContact O-N 2.85Å
326R55.6Low66.5Low143 Ų14374.2 Ų74.254%0.5437%0.373SS..  trans-55.2111.1170.3-78-178.9171.1147.93.2109.5N259 L324 K328N259-R326 PolarHBondContact O-NH1 3.43Å; N259-R326 PolarHBondContact O-NH2 3.12Å; N259-R326 VanDerWaalsContact O-NH2 3.08Å; L324-R326 PolarHBondContact O-N 3.46Å; R326-K328 PolarHBondContact O-N 3.44Å
327S48.6Very low65.3Low55 Ų5576 Ų7639%0.38538%0.381SS..  trans-53.9112.6153143.20000106.2R325 N329 E330R325-S327 PolarHBondContact O-N 2.85Å; S327-N329 PolarHBondContact O-N 2.91Å; S327-N329 PolarHBondContact OG-N 2.93Å; S327-E330 PolarHBondContact OG-N 3Å
328K43.3Very low64.2Low199 Ų19980.5 Ų80.587%0.86541%0.405SS*.THydrogen-bonded Turntrans-62-6177.9-80.2-178.4174.8176.80112.7R326R326-K328 PolarHBondContact O-N 3.44Å
329N41.1Very low63.3Low152 Ų15282.2 Ų82.281%0.81342%0.422SS*.THydrogen-bonded Turntrans-109.5-5-170.4-73.6-7000114.8S327S327-N329 PolarHBondContact O-N 2.91Å; S327-N329 PolarHBondContact OG-N 2.93Å
330E43.4Very low62.9Low125 Ų12587.2 Ų87.258%0.58445%0.448SS*.  trans-104.283.2167.2-69.1-166.4161.400109.6S327 N332S327-E330 PolarHBondContact OG-N 3Å; E330-N332 VanDerWaalsContact C-N 3.27Å; E330-N332 PolarHBondContact O-N 3.4Å
331L40.5Very low62.6Low165 Ų16591.8 Ų91.886%0.86447%0.465SS*.  trans-54.297.3157.9-90.4150000108.1S333L331-S333 VanDerWaalsContact C-N 3.3Å; L331-S333 PolarHBondContact O-N 2.92Å
332N45.8Very low62.3Low86 Ų8698.5 Ų98.546%0.4650%0.496SS..  trans-11.271160.4-77.3-43.6000115.9E330 S335 S336E330-N332 VanDerWaalsContact C-N 3.27Å; E330-N332 PolarHBondContact O-N 3.4Å; N332-S335 WeakPolarHBondContact CB-OG 3.48Å; N332-S335 PolarHBondContact OD1-OG 2.66Å; N332-S336 WeakPolarHBondContact O-CB 3.43Å; N332-S336 PolarHBondContact O-OG 3.46Å
333S48.7Very low62.3Low74 Ų74103.5 Ų103.552%0.51752%0.523SS..Hα-helixtrans-81.6-42.3172.353.10000110.4L331 S336 E337L331-S333 VanDerWaalsContact C-N 3.3Å; L331-S333 PolarHBondContact O-N 2.92Å; S333-S336 PolarHBondContact O-OG 3.08Å; S333-E337 WeakPolarHBondContact O-CB 3.39Å; S333-E337 WeakPolarHBondContact O-CG 3.43Å; S333-E337 PolarHBondContact O-N 3.27Å
334E49.1Very low62.7Low118 Ų118105.6 Ų105.655%0.55153%0.531SS*.Hα-helixtrans-73.3-42.7-175.6-69.3-173.115400113.8N2 S336 E337 D338N2-E334 PolarHBondContact ND2-OE2 2.89Å; E334-S336 VanDerWaalsContact C-N 3.32Å; E334-S336 PolarHBondContact O-N 3.06Å; E334-E337 PolarHBondContact O-N 2.82Å; E334-D338 PolarHBondContact O-N 2.93Å
335S54.3Low63.3Low58 Ų58108.9 Ų108.941%0.40655%0.551SS.*Hα-helixtrans-70.6-30.2179.364.70000112.5N332 A339N332-S335 WeakPolarHBondContact CB-OG 3.48Å; N332-S335 PolarHBondContact OD1-OG 2.66Å; S335-A339 WeakPolarHBondContact O-CB 3.28Å; S335-A339 PolarHBondContact O-N 3.46Å
336S60.4Low64.4Low61 Ų61108 Ų10843%0.42755%0.552SS.*Hα-helixtrans-73.9-38.5171.862.20000111.3N332 S333 E334 A339 L340N332-S336 WeakPolarHBondContact O-CB 3.43Å; N332-S336 PolarHBondContact O-OG 3.46Å; S333-S336 PolarHBondContact O-OG 3.08Å; E334-S336 VanDerWaalsContact C-N 3.32Å; E334-S336 PolarHBondContact O-N 3.06Å; S336-A339 PolarHBondContact O-N 2.85Å; S336-L340 WeakPolarHBondContact O-CB 3.42Å; S336-L340 PolarHBondContact O-N 3.32Å
337E69Low66.3Low101 Ų101108.3 Ų108.347%0.47255%0.553SS.*Hα-helixtrans-62-46.4174.3-86.2-164.7-163.200113.1S333 E334 L340 R341S333-E337 WeakPolarHBondContact O-CB 3.39Å; S333-E337 WeakPolarHBondContact O-CG 3.43Å; S333-E337 PolarHBondContact O-N 3.27Å; E334-E337 PolarHBondContact O-N 2.82Å; E337-L340 CarbonylContact O-C 3.53Å; E337-L340 PolarHBondContact O-N 2.85Å; E337-R341 WeakPolarHBondContact O-CB 3.32Å; E337-R341 VanDerWaalsContact O-CG 3.3Å; E337-R341 WeakPolarHBondContact O-CG 3.49Å; E337-R341 PolarHBondContact O-N 2.95Å; E337-R341 IonicContact OE2-CZ 3.02Å; E337-R341 IonicContact OE2-NH2 3.62Å; E337-R341 PolarHBondContact OE2-NH2 3.11Å
338D68Low68.5Low96 Ų96110.3 Ų110.351%0.51356%0.556SS.*Hα-helixtrans-68.1-38.5179.5-83.4-17.3000112E334 L340 R341 H342E334-D338 PolarHBondContact O-N 2.93Å; D338-L340 VanDerWaalsContact C-N 3.29Å; D338-L340 PolarHBondContact O-N 3Å; D338-R341 PolarHBondContact O-N 3.43Å; D338-R341 IonicContact OD1-CZ 3.8Å; D338-R341 IonicContact OD1-NE 2.87Å; D338-R341 IonicContact OD1-NH1 3.97Å; D338-R341 PolarHBondContact OD1-NH1 2.91Å; D338-H342 WeakPolarHBondContact O-CB 3.33Å; D338-H342 PolarHBondContact O-N 2.74Å
339A73.7Confident70.8Confident52 Ų52105.4 Ų105.443%0.4354%0.54SS..Hα-helixtrans-60.7-41.7170.700000111.1S335 S336 H342 L343S335-A339 WeakPolarHBondContact O-CB 3.28Å; S335-A339 PolarHBondContact O-N 3.46Å; S336-A339 PolarHBondContact O-N 2.85Å; A339-H342 PolarHBondContact O-N 3.42Å; A339-L343 WeakPolarHBondContact O-CB 3.24Å; A339-L343 VanDerWaalsContact O-CG 3.28Å; A339-L343 WeakPolarHBondContact O-CG 3.41Å; A339-L343 PolarHBondContact O-N 3.07Å
340L81.7Confident73.3Confident104 Ų104102.2 Ų102.255%0.54552%0.522SS..Hα-helixtrans-68.9-39.1179.1-161.3139.6000111.4S336 E337 D338 L343 I344S336-L340 WeakPolarHBondContact O-CB 3.42Å; S336-L340 PolarHBondContact O-N 3.32Å; E337-L340 CarbonylContact O-C 3.53Å; E337-L340 PolarHBondContact O-N 2.85Å; D338-L340 VanDerWaalsContact C-N 3.29Å; D338-L340 PolarHBondContact O-N 3Å; L340-L343 PolarHBondContact O-N 3.1Å; L340-I344 HydrophobicContact CD2-CD1 3.58Å; L340-I344 HydrophobicContact CD2-CG1 4.35Å; L340-I344 WeakPolarHBondContact O-CB 3.36Å; L340-I344 VanDerWaalsContact O-CG1 3.23Å; L340-I344 WeakPolarHBondContact O-CG1 3.31Å; L340-I344 PolarHBondContact O-N 2.95Å
341R85.5Confident75.7Confident136 Ų136100 Ų10051%0.51351%0.514SS..Hα-helixtrans-61.2-45.7169.6-72173.5-160.6164.42.1110.9E337 D338 L343 I344 T345E337-R341 WeakPolarHBondContact O-CB 3.32Å; E337-R341 VanDerWaalsContact O-CG 3.3Å; E337-R341 WeakPolarHBondContact O-CG 3.49Å; E337-R341 PolarHBondContact O-N 2.95Å; E337-R341 IonicContact OE2-CZ 3.02Å; E337-R341 IonicContact OE2-NH2 3.62Å; E337-R341 PolarHBondContact OE2-NH2 3.11Å; D338-R341 PolarHBondContact O-N 3.43Å; D338-R341 IonicContact OD1-CZ 3.8Å; D338-R341 IonicContact OD1-NE 2.87Å; D338-R341 IonicContact OD1-NH1 3.97Å; D338-R341 PolarHBondContact OD1-NH1 2.91Å; R341-L343 VanDerWaalsContact C-N 3.3Å; R341-L343 PolarHBondContact O-N 2.72Å; R341-I344 PolarHBondContact O-N 3.44Å; R341-T345 PolarHBondContact O-N 2.85Å; R341-T345 PolarHBondContact O-OG1 3.2Å
342H80.9Confident78.1Confident141 Ų14196.6 Ų96.665%0.65350%0.496SS*.Hα-helixtrans-63.6-37.5178.7-157.2-48.7000111.8D338 A339 K346D338-H342 WeakPolarHBondContact O-CB 3.33Å; D338-H342 PolarHBondContact O-N 2.74Å; A339-H342 PolarHBondContact O-N 3.42Å; H342-K346 WeakPolarHBondContact O-CB 3.46Å; H342-K346 PolarHBondContact O-N 2.88Å
343L88.2Confident80.2Confident118 Ų11897.8 Ų97.862%0.61850%0.499SS*.Hα-helixtrans-69.9-39.7173.8-73.2169.3000112.2A339 L340 R341 K346 R347A339-L343 WeakPolarHBondContact O-CB 3.24Å; A339-L343 VanDerWaalsContact O-CG 3.28Å; A339-L343 WeakPolarHBondContact O-CG 3.41Å; A339-L343 PolarHBondContact O-N 3.07Å; L340-L343 PolarHBondContact O-N 3.1Å; R341-L343 VanDerWaalsContact C-N 3.3Å; R341-L343 PolarHBondContact O-N 2.72Å; L343-K346 PolarHBondContact O-N 3.15Å; L343-R347 WeakPolarHBondContact O-CB 3.48Å; L343-R347 PolarHBondContact O-N 3.17Å
344I92Very high82.1Confident76 Ų7698.5 Ų98.539%0.3950%0.496SS..Hα-helixtrans-62.4-45.9173.7-73.1169.5000110.4L340 R341 K346 R347 Q348L340-I344 HydrophobicContact CD2-CD1 3.58Å; L340-I344 HydrophobicContact CD2-CG1 4.35Å; L340-I344 WeakPolarHBondContact O-CB 3.36Å; L340-I344 VanDerWaalsContact O-CG1 3.23Å; L340-I344 WeakPolarHBondContact O-CG1 3.31Å; L340-I344 PolarHBondContact O-N 2.95Å; R341-I344 PolarHBondContact O-N 3.44Å; I344-K346 VanDerWaalsContact C-N 3.34Å; I344-K346 PolarHBondContact O-N 3.07Å; I344-R347 WeakPolarHBondContact O-CB 3.47Å; I344-R347 PolarHBondContact O-N 3.39Å; I344-Q348 WeakPolarHBondContact O-CB 3.23Å; I344-Q348 PolarHBondContact O-N 3.12Å
345T92Very high84Confident78 Ų7898.1 Ų98.148%0.47949%0.494SS..Hα-helixtrans-61.8-43.3176.1-56.90000110.9R341 R347 Q348 N349R341-T345 PolarHBondContact O-N 2.85Å; R341-T345 PolarHBondContact O-OG1 3.2Å; T345-R347 PolarHBondContact O-N 3.05Å; T345-Q348 PolarHBondContact O-N 2.82Å; T345-N349 VanDerWaalsContact O-CG 3.24Å; T345-N349 PolarHBondContact O-N 2.77Å
346K91.5Very high85.4Confident129 Ų12997.9 Ų97.956%0.56149%0.492SS*.Hα-helixtrans-61.7-42.8175-169.7174.7-177.6179.30111.6H342 L343 I344 N349 L350H342-K346 WeakPolarHBondContact O-CB 3.46Å; H342-K346 PolarHBondContact O-N 2.88Å; L343-K346 PolarHBondContact O-N 3.15Å; I344-K346 VanDerWaalsContact C-N 3.34Å; I344-K346 PolarHBondContact O-N 3.07Å; K346-N349 PolarHBondContact O-N 2.86Å; K346-L350 HydrophobicContact CG-CD1 4.3Å; K346-L350 WeakPolarHBondContact O-CG 3.21Å; K346-L350 PolarHBondContact O-N 2.87Å
347R93.9Very high86.4Confident150 Ų15099.4 Ų99.457%0.56650%0.495SS*.Hα-helixtrans-60.5-45.1174-173.3-168.675174.42.7111.2L343 I344 T345 L350 L351L343-R347 WeakPolarHBondContact O-CB 3.48Å; L343-R347 PolarHBondContact O-N 3.17Å; I344-R347 WeakPolarHBondContact O-CB 3.47Å; I344-R347 PolarHBondContact O-N 3.39Å; T345-R347 PolarHBondContact O-N 3.05Å; R347-L350 PolarHBondContact O-N 2.95Å; R347-L351 HydrophobicContact CG-CD1 4.17Å; R347-L351 WeakPolarHBondContact O-CB 3.28Å; R347-L351 WeakPolarHBondContact O-CG 2.99Å; R347-L351 PolarHBondContact O-N 2.98Å
348Q94.5Very high87.1Confident98 Ų9898.6 Ų98.646%0.45849%0.494SS..Hα-helixtrans-62.1-43.5178.8-161.875.810.600111.1I344 T345 L351 L352I344-Q348 WeakPolarHBondContact O-CB 3.23Å; I344-Q348 PolarHBondContact O-N 3.12Å; T345-Q348 PolarHBondContact O-N 2.82Å; Q348-L351 PolarHBondContact O-N 2.87Å; Q348-L352 WeakPolarHBondContact O-CG 3.06Å; Q348-L352 PolarHBondContact O-N 3.41Å
349N92.7Very high87.4Confident96 Ų96100.2 Ų100.251%0.51350%0.498SS..Hα-helixtrans-62.4-44176.3-69-13.2000111.9T345 K346 L352 E353T345-N349 VanDerWaalsContact O-CG 3.24Å; T345-N349 PolarHBondContact O-N 2.77Å; K346-N349 PolarHBondContact O-N 2.86Å; N349-L352 PolarHBondContact O-N 3.39Å; N349-E353 PolarHBondContact O-N 2.75Å
350L93.8Very high87.3Confident84 Ų84102.1 Ų102.144%0.4450%0.501SS..Hα-helixtrans-65.2-37.6176.3-71.1168.6000112.1K346 R347 E353 I354K346-L350 HydrophobicContact CG-CD1 4.3Å; K346-L350 WeakPolarHBondContact O-CG 3.21Å; K346-L350 PolarHBondContact O-N 2.87Å; R347-L350 PolarHBondContact O-N 2.95Å; L350-E353 PolarHBondContact O-N 3.12Å; L350-I354 VanDerWaalsContact O-CG1 3.31Å; L350-I354 WeakPolarHBondContact O-CG1 3.44Å; L350-I354 PolarHBondContact O-N 3.28Å
351L93.7Very high86.6Confident79 Ų7999.7 Ų99.741%0.41449%0.493SS..Hα-helixtrans-64.7-40.3174.3-76169.9000112R347 Q348 E353 I354 Q355R347-L351 HydrophobicContact CG-CD1 4.17Å; R347-L351 WeakPolarHBondContact O-CB 3.28Å; R347-L351 WeakPolarHBondContact O-CG 2.99Å; R347-L351 PolarHBondContact O-N 2.98Å; Q348-L351 PolarHBondContact O-N 2.87Å; L351-E353 VanDerWaalsContact C-N 3.34Å; L351-I354 PolarHBondContact O-N 3.16Å; L351-Q355 WeakPolarHBondContact O-CG 3.11Å; L351-Q355 PolarHBondContact O-N 3.31Å
352L91Very high85.6Confident93 Ų9397.8 Ų97.849%0.48749%0.493SS..Hα-helixtrans-64.4-39.4173.7-71.8170.3000111.6Q348 N349 Q355 S356Q348-L352 WeakPolarHBondContact O-CG 3.06Å; Q348-L352 PolarHBondContact O-N 3.41Å; N349-L352 PolarHBondContact O-N 3.39Å; L352-Q355 PolarHBondContact O-N 2.96Å; L352-S356 WeakPolarHBondContact O-CB 3.42Å; L352-S356 PolarHBondContact O-N 2.98Å
353E89.1Confident84.4Confident111 Ų11192.6 Ų92.652%0.51947%0.47SS..Hα-helixtrans-62.8-46.3176.1-171.6176-175.500111.4N349 L350 L351 Q355 S356 I357N349-E353 PolarHBondContact O-N 2.75Å; L350-E353 PolarHBondContact O-N 3.12Å; L351-E353 VanDerWaalsContact C-N 3.34Å; E353-Q355 PolarHBondContact O-N 3.39Å; E353-S356 WeakPolarHBondContact O-CB 3.48Å; E353-S356 PolarHBondContact O-N 2.94Å; E353-S356 VanDerWaalsContact O-N 3.15Å; E353-S356 PolarHBondContact O-OG 3.11Å; E353-I357 HydrophobicContact CG-CD1 4.18Å; E353-I357 VanDerWaalsContact O-CG1 3.31Å; E353-I357 WeakPolarHBondContact O-CG1 3.33Å; E353-I357 PolarHBondContact O-N 2.9Å
354I89.4Confident82.8Confident89 Ų8991.6 Ų91.646%0.45647%0.472SS..Hα-helixtrans-59.2-46.9174.3-68.4166.3000110.7L350 L351 S356 I357 D358L350-I354 VanDerWaalsContact O-CG1 3.31Å; L350-I354 WeakPolarHBondContact O-CG1 3.44Å; L350-I354 PolarHBondContact O-N 3.28Å; L351-I354 PolarHBondContact O-N 3.16Å; I354-S356 VanDerWaalsContact C-N 3.27Å; I354-S356 PolarHBondContact O-N 2.86Å; I354-I357 PolarHBondContact O-N 3.1Å; I354-I357 VanDerWaalsContact O-N 3.08Å; I354-D358 PolarHBondContact O-N 3.38Å
355Q89.4Confident80.8Confident111 Ų11195.8 Ų95.852%0.51949%0.491SS..Hα-helixtrans-59.1-38.8176-76.1178.1-4.700112.2L351 L352 E353 D358 Q359L351-Q355 WeakPolarHBondContact O-CG 3.11Å; L351-Q355 PolarHBondContact O-N 3.31Å; L352-Q355 PolarHBondContact O-N 2.96Å; E353-Q355 PolarHBondContact O-N 3.39Å; Q355-D358 PolarHBondContact O-N 2.83Å; Q355-Q359 WeakPolarHBondContact O-CB 3.36Å; Q355-Q359 VanDerWaalsContact O-CG 3.27Å; Q355-Q359 WeakPolarHBondContact O-CG 3.25Å; Q355-Q359 PolarHBondContact O-N 3.09Å
356S82.5Confident78.8Confident53 Ų5398.1 Ų98.137%0.37149%0.491SS..Hα-helixtrans-63.4-42.5174.4123.90000111.4L352 E353 I354 Q359 N360L352-S356 WeakPolarHBondContact O-CB 3.42Å; L352-S356 PolarHBondContact O-N 2.98Å; E353-S356 WeakPolarHBondContact O-CB 3.48Å; E353-S356 PolarHBondContact O-N 2.94Å; E353-S356 VanDerWaalsContact O-N 3.15Å; E353-S356 PolarHBondContact O-OG 3.11Å; I354-S356 VanDerWaalsContact C-N 3.27Å; I354-S356 PolarHBondContact O-N 2.86Å; S356-Q359 PolarHBondContact O-N 3.34Å; S356-N360 WeakPolarHBondContact O-CB 3.48Å; S356-N360 PolarHBondContact O-N 3.06Å; S356-N360 PolarHBondContact O-ND2 2.85Å
357I82.4Confident76.7Confident92 Ų9294.9 Ų94.947%0.47248%0.484SS..Hα-helixtrans-65.4-43.6177.9-67.2164.6000110.5E353 I354 N360 S361E353-I357 HydrophobicContact CG-CD1 4.18Å; E353-I357 VanDerWaalsContact O-CG1 3.31Å; E353-I357 WeakPolarHBondContact O-CG1 3.33Å; E353-I357 PolarHBondContact O-N 2.9Å; I354-I357 PolarHBondContact O-N 3.1Å; I354-I357 VanDerWaalsContact O-N 3.08Å; I357-N360 PolarHBondContact O-N 3.37Å; I357-S361 WeakPolarHBondContact O-CB 3.24Å; I357-S361 PolarHBondContact O-N 3.09Å; I357-S361 PolarHBondContact O-OG 3.12Å
358D82.2Confident74.7Confident85 Ų8596.9 Ų96.946%0.45550%0.497SS..Hα-helixtrans-66.7-37.8178.1-74.4-20.4000112.4I354 Q355 S361 N362I354-D358 PolarHBondContact O-N 3.38Å; Q355-D358 PolarHBondContact O-N 2.83Å; D358-S361 WeakPolarHBondContact CA-OG 3.33Å; D358-S361 PolarHBondContact O-N 3.24Å; D358-S361 PolarHBondContact O-OG 3.04Å; D358-N362 PolarHBondContact O-N 3.11Å; D358-N362 VanDerWaalsContact O-N 3.12Å; D358-N362 PolarHBondContact O-ND2 3.03Å
359Q74.5Confident72.4Confident129 Ų12997.5 Ų97.560%0.60350%0.503SS*.Hα-helixtrans-63.6-45172.4-75.3177.45.700111Q355 S356 S361 N362 L363Q355-Q359 WeakPolarHBondContact O-CB 3.36Å; Q355-Q359 VanDerWaalsContact O-CG 3.27Å; Q355-Q359 WeakPolarHBondContact O-CG 3.25Å; Q355-Q359 PolarHBondContact O-N 3.09Å; S356-Q359 PolarHBondContact O-N 3.34Å; Q359-S361 PolarHBondContact O-N 3.46Å; Q359-N362 PolarHBondContact O-N 3.44Å; Q359-L363 WeakPolarHBondContact O-CD1 3Å; Q359-L363 PolarHBondContact O-N 2.92Å; Q359-L363 VanDerWaalsContact O-N 3.14Å
360N71.5Confident70.3Confident93 Ų9396.1 Ų96.150%0.49750%0.496SS..Hα-helixtrans-67.3-32.5178.3-72.6-25.8000113.1S356 I357 L363 S364S356-N360 WeakPolarHBondContact O-CB 3.48Å; S356-N360 PolarHBondContact O-N 3.06Å; S356-N360 PolarHBondContact O-ND2 2.85Å; I357-N360 PolarHBondContact O-N 3.37Å; N360-L363 WeakPolarHBondContact O-CB 3.33Å; N360-L363 PolarHBondContact O-N 3.03Å; N360-S364 PolarHBondContact O-N 3.38Å
361S68.7Low68.2Low53 Ų5394.1 Ų94.137%0.37149%0.487SS..Hα-helixtrans-71.3-40.7176.871.40000111.6I357 D358 Q359 L363 S364I357-S361 WeakPolarHBondContact O-CB 3.24Å; I357-S361 PolarHBondContact O-N 3.09Å; I357-S361 PolarHBondContact O-OG 3.12Å; D358-S361 WeakPolarHBondContact CA-OG 3.33Å; D358-S361 PolarHBondContact O-N 3.24Å; D358-S361 PolarHBondContact O-OG 3.04Å; Q359-S361 PolarHBondContact O-N 3.46Å; S361-L363 VanDerWaalsContact C-N 3.25Å; S361-L363 PolarHBondContact O-N 2.82Å; S361-S364 WeakPolarHBondContact O-CB 3.44Å; S361-S364 PolarHBondContact O-N 3.4Å; S361-S364 PolarHBondContact O-OG 2.91Å
362N62.7Low65.9Low95 Ų9599.1 Ų99.151%0.50850%0.501SS..Hα-helixtrans-62.5-33.6173-72.9-38000112.3D358 Q359 S364 Q365D358-N362 PolarHBondContact O-N 3.11Å; D358-N362 VanDerWaalsContact O-N 3.12Å; D358-N362 PolarHBondContact O-ND2 3.03Å; Q359-N362 PolarHBondContact O-N 3.44Å; N362-S364 VanDerWaalsContact C-N 3.27Å; N362-S364 PolarHBondContact O-N 2.93Å; N362-Q365 PolarHBondContact O-N 2.93Å
363L57.2Low63.6Low32 Ų32102.7 Ų102.717%0.16852%0.515CS..Hα-helixtrans-65.3-24.4173-93.2151.3000114.1Q359 N360 S361 Q365 W366 L376Q359-L363 WeakPolarHBondContact O-CD1 3Å; Q359-L363 PolarHBondContact O-N 2.92Å; Q359-L363 VanDerWaalsContact O-N 3.14Å; N360-L363 WeakPolarHBondContact O-CB 3.33Å; N360-L363 PolarHBondContact O-N 3.03Å; S361-L363 VanDerWaalsContact C-N 3.25Å; S361-L363 PolarHBondContact O-N 2.82Å; L363-Q365 VanDerWaalsContact C-N 3.29Å; L363-Q365 PolarHBondContact O-N 2.85Å; L363-W366 HydrophobicContact CD2-CD2 4.27Å; L363-W366 HydrophobicContact CD2-CE3 3.37Å; L363-W366 HydrophobicContact CD2-CZ3 3.57Å; L363-W366 HydrophobicContact CG-CE3 4.15Å; L363-W366 HydrophobicContact CG-CZ3 4.2Å; L363-W366 PolarHBondContact O-N 3.3Å; L363-L376 HydrophobicContact CD1-CD1 3.57Å; L363-L376 HydrophobicContact CD2-CD1 3.21Å; L363-L376 HydrophobicContact CG-CD1 3.96Å
364S54Low61.6Low97 Ų9798.5 Ų98.568%0.67850%0.499SS*.Hα-helixtrans-74.2-18.3177.375.40000113.6N360 S361 N362N360-S364 PolarHBondContact O-N 3.38Å; S361-S364 WeakPolarHBondContact O-CB 3.44Å; S361-S364 PolarHBondContact O-N 3.4Å; S361-S364 PolarHBondContact O-OG 2.91Å; N362-S364 VanDerWaalsContact C-N 3.27Å; N362-S364 PolarHBondContact O-N 2.93Å
365Q50.7Low59.8Low165 Ų165100.4 Ų100.477%0.77151%0.51SS*.THydrogen-bonded Turntrans-87.4-9.4174.2-72.5-176.3-11.500113.3N362 L363N362-Q365 PolarHBondContact O-N 2.93Å; L363-Q365 VanDerWaalsContact C-N 3.29Å; L363-Q365 PolarHBondContact O-N 2.85Å
366W49.8Very low58.1Low126 Ų12698.2 Ų98.248%0.47750%0.502SS..SBendtrans-75.9135.7179.9-82.34.5000111.9L363 D370 V371 A374 L376L363-W366 HydrophobicContact CD2-CD2 4.27Å; L363-W366 HydrophobicContact CD2-CE3 3.37Å; L363-W366 HydrophobicContact CD2-CZ3 3.57Å; L363-W366 HydrophobicContact CG-CE3 4.15Å; L363-W366 HydrophobicContact CG-CZ3 4.2Å; L363-W366 PolarHBondContact O-N 3.3Å; W366-D370 HydrophobicContact CB-CB 3.86Å; W366-D370 HydrophobicContact CD2-CB 4.13Å; W366-D370 HydrophobicContact CE3-CB 4.37Å; W366-D370 HydrophobicContact CG-CB 3.92Å; W366-V371 HydrophobicContact CB-CG2 4.12Å; W366-A374 HydrophobicContact CE3-CB 4.27Å; W366-A374 HydrophobicContact CH2-CB 4.38Å; W366-A374 HydrophobicContact CZ3-CB 3.52Å; W366-L376 HydrophobicContact CZ3-CD1 4.39Å
367S46.8Very low57.1Low61 Ų6196.6 Ų96.643%0.42749%0.489SS..  trans-65.6158.8177.475.70000110.3N369 D370 V371S367-N369 PolarHBondContact O-N 3.44Å; S367-D370 WeakPolarHBondContact CB-OD2 3.49Å; S367-D370 PolarHBondContact N-OD2 2.86Å; S367-D370 VanDerWaalsContact N-OD2 3.15Å; S367-D370 PolarHBondContact O-N 3.22Å; S367-D370 PolarHBondContact OG-OD2 3.24Å; S367-V371 PolarHBondContact O-N 3.33Å
368K51.8Low56.5Low193 Ų19395.4 Ų95.484%0.83948%0.483SS*.THydrogen-bonded Turntrans-51.8-19.1177-81.9-177.2177.5175.80114
369N45.8Very low56.1Low110 Ų11092.4 Ų92.459%0.58847%0.467SS*.THydrogen-bonded Turntrans-86.4-32.8177-77.3-16.8000113.6S367 R372S367-N369 PolarHBondContact O-N 3.44Å; N369-R372 WeakPolarHBondContact O-CB 3.49Å; N369-R372 PolarHBondContact O-N 2.91Å; N369-R372 VanDerWaalsContact O-N 3.13Å
370D50Low56.2Low67 Ų6791.3 Ų91.336%0.35846%0.46SS..Hα-helixtrans-72.4-34-179.1-58.2-48000111.4W366 S367 R372 Q373 A374W366-D370 HydrophobicContact CB-CB 3.86Å; W366-D370 HydrophobicContact CD2-CB 4.13Å; W366-D370 HydrophobicContact CE3-CB 4.37Å; W366-D370 HydrophobicContact CG-CB 3.92Å; S367-D370 WeakPolarHBondContact CB-OD2 3.49Å; S367-D370 PolarHBondContact N-OD2 2.86Å; S367-D370 VanDerWaalsContact N-OD2 3.15Å; S367-D370 PolarHBondContact O-N 3.22Å; S367-D370 PolarHBondContact OG-OD2 3.24Å; D370-R372 PolarHBondContact O-N 3.07Å; D370-Q373 PolarHBondContact O-N 2.91Å; D370-Q373 VanDerWaalsContact O-N 3.16Å; D370-A374 PolarHBondContact O-N 2.84Å; D370-A374 VanDerWaalsContact O-N 3.13Å
371V49.6Very low56.5Low43 Ų4392.3 Ų92.326%0.26148%0.481SS..Hα-helixtrans-67.2-15171.9-174.30000112.5W366 S367 I378W366-V371 HydrophobicContact CB-CG2 4.12Å; S367-V371 PolarHBondContact O-N 3.33Å; V371-I378 HydrophobicContact CG1-CD1 3.92Å
372R44.3Very low57.3Low183 Ų18394.3 Ų94.369%0.69149%0.488SS*.Hα-helixtrans-82.4-26.2173.4-73179.7171.2-176.3-3.4113N369 D370N369-R372 WeakPolarHBondContact O-CB 3.49Å; N369-R372 PolarHBondContact O-N 2.91Å; N369-R372 VanDerWaalsContact O-N 3.13Å; D370-R372 PolarHBondContact O-N 3.07Å
373Q43Very low58.4Low169 Ų16990.2 Ų90.279%0.7947%0.466SS*.Hα-helixtrans-90-28.4177.3-78-175.1-17.600112.8D370 N375D370-Q373 PolarHBondContact O-N 2.91Å; D370-Q373 VanDerWaalsContact O-N 3.16Å; Q373-N375 PolarHBondContact O-N 3.35Å
374A47.4Very low60Low22 Ų2294.9 Ų94.918%0.18249%0.487CS..SBendtrans-78.7109.3172.400000110W366 D370 L376W366-A374 HydrophobicContact CE3-CB 4.27Å; W366-A374 HydrophobicContact CH2-CB 4.38Å; W366-A374 HydrophobicContact CZ3-CB 3.52Å; D370-A374 PolarHBondContact O-N 2.84Å; D370-A374 VanDerWaalsContact O-N 3.13Å; A374-L376 HydrophobicContact CB-CD1 3.58Å; A374-L376 HydrophobicContact CB-CG 3.98Å; A374-L376 PolarHBondContact O-N 3.43Å
375N50.9Low61.8Low129 Ų12991.2 Ų91.269%0.6946%0.46SS*.  trans-65.364.8174.9-84.1-18.6000112.2Q373 C466Q373-N375 PolarHBondContact O-N 3.35Å; N375-C466 HydrophobicContact CB-CB 4.42Å
376L54.1Low63.8Low65 Ų6587.7 Ų87.734%0.3444%0.443SS..  trans-105.6128.1-175.2-68164.1000110.7L363 W366 A374 I378L363-L376 HydrophobicContact CD1-CD1 3.57Å; L363-L376 HydrophobicContact CD2-CD1 3.21Å; L363-L376 HydrophobicContact CG-CD1 3.96Å; W366-L376 HydrophobicContact CZ3-CD1 4.39Å; A374-L376 HydrophobicContact CB-CD1 3.58Å; A374-L376 HydrophobicContact CB-CG 3.98Å; A374-L376 PolarHBondContact O-N 3.43Å; L376-I378 HydrophobicContact CB-CD1 3.62Å; L376-I378 HydrophobicContact CB-CG1 3.72Å; L376-I378 HydrophobicContact CD1-CD1 4.29Å; L376-I378 PolarHBondContact O-N 2.74Å; L376-I378 VanDerWaalsContact O-N 3.11Å
377N62.1Low65.9Low19 Ų1983.4 Ų83.410%0.10243%0.431CS..  trans-74.193.7172-77.8-1.7000108.2P462 K464 C466 Q469 S471 Y473N377-P462 HydrophobicContact CB-CB 3.8Å; N377-P462 HydrophobicContact CB-CG 3.77Å; N377-K464 PolarHBondContact OD1-O 2.92Å; N377-C466 PolarHBondContact OD1-N 2.58Å; N377-Q469 PolarHBondContact ND2-O 2.84Å; N377-S471 PolarHBondContact ND2-OG 3.19Å; N377-Y473 WeakPolarHBondContact O-CE2 3.21Å; N377-Y473 PolarHBondContact O-OH 2.92Å
378I68.9Low68.1Low67 Ų6786.4 Ų86.434%0.34444%0.436SS..  trans-115.2135.6-174.1-60.1166.5000110.2V371 L376 I463V371-I378 HydrophobicContact CG1-CD1 3.92Å; L376-I378 HydrophobicContact CB-CD1 3.62Å; L376-I378 HydrophobicContact CB-CG1 3.72Å; L376-I378 HydrophobicContact CD1-CD1 4.29Å; L376-I378 PolarHBondContact O-N 2.74Å; L376-I378 VanDerWaalsContact O-N 3.11Å; I378-I463 PolarHBondContact O-N 3.3Å
379I74.7Confident70.1Confident23 Ų2378.4 Ų78.412%0.11840%0.403CS..  trans-103.3163.9163.164.8163.5000109.6P462 Y473 L475I379-P462 HydrophobicContact CG2-CB 4.45Å; I379-Y473 HydrophobicContact CB-CD2 4.26Å; I379-Y473 HydrophobicContact CB-CE2 4.39Å; I379-Y473 HydrophobicContact CD1-CD1 3.72Å; I379-Y473 HydrophobicContact CD1-CD2 4.23Å; I379-Y473 HydrophobicContact CD1-CE1 4.31Å; I379-Y473 HydrophobicContact CD1-CG 3.66Å; I379-Y473 HydrophobicContact CG1-CD1 3.87Å; I379-Y473 HydrophobicContact CG1-CD2 3.96Å; I379-Y473 HydrophobicContact CG1-CE1 3.99Å; I379-Y473 HydrophobicContact CG1-CE2 4.07Å; I379-Y473 HydrophobicContact CG1-CG 3.84Å; I379-Y473 HydrophobicContact CG2-CD2 3.4Å; I379-Y473 VanDerWaalsContact CG2-CD2 3.4Å; I379-Y473 HydrophobicContact CG2-CE2 3.8Å; I379-Y473 HydrophobicContact CG2-CG 3.95Å; I379-L475 HydrophobicContact CD1-CD2 4.44Å
380K77.1Confident72.3Confident106 Ų10676.7 Ų76.746%0.46139%0.391SS..  trans-68.6139.8172.4-64.2175.7-173.7160.40108.9N382 T383 D406 I463K380-N382 WeakPolarHBondContact CB-OD1 3.13Å; K380-N382 PolarHBondContact O-N 2.96Å; K380-N382 VanDerWaalsContact O-N 3.14Å; K380-T383 WeakPolarHBondContact O-CB 3.44Å; K380-T383 PolarHBondContact O-N 2.78Å; K380-T383 VanDerWaalsContact O-N 3.1Å; K380-T383 PolarHBondContact O-OG1 2.84Å; K380-D406 HydrophobicContact CD-CB 4.36Å; K380-I463 HydrophobicContact CG-CD1 4.18Å
381A77.1Confident74.3Confident114 Ų11473.9 Ų73.994%0.94238%0.376SS*.THydrogen-bonded Turntrans-64-21-177.200000113.4
382N84.7Confident76.1Confident95 Ų9572.2 Ų72.251%0.50837%0.367SS..THydrogen-bonded Turntrans-96.612.5178.471.4-35.8000113.5K380 E384 N405K380-N382 WeakPolarHBondContact CB-OD1 3.13Å; K380-N382 PolarHBondContact O-N 2.96Å; K380-N382 VanDerWaalsContact O-N 3.14Å; N382-E384 PolarHBondContact O-N 2.92Å; N382-N405 PolarHBondContact O-ND2 2.57Å; N382-N405 PolarHBondContact O-OD1 3.09Å
383T86.9Confident78Confident9 Ų967.5 Ų67.56%0.05536%0.36CS..  trans-68.4115.2176.5-53.60000109.5K380 T404 N405 D406 T408 L475K380-T383 WeakPolarHBondContact O-CB 3.44Å; K380-T383 PolarHBondContact O-N 2.78Å; K380-T383 VanDerWaalsContact O-N 3.1Å; K380-T383 PolarHBondContact O-OG1 2.84Å; T383-T404 HydrophobicContact CG2-CG2 4.4Å; T383-N405 WeakPolarHBondContact CA-OD1 3.21Å; T383-D406 WeakPolarHBondContact CG2-OD1 3.5Å; T383-D406 PolarHBondContact OG1-OD2 2.85Å; T383-T408 HydrophobicContact CG2-CG2 4.34Å; T383-L475 HydrophobicContact CG2-CD1 3.83Å
384E90.4Very high79.9Confident130 Ų13066.7 Ų66.761%0.60736%0.361SS*.  trans-128.1153179.1-69.7179.3179.600110.7N382 T404 N405N382-E384 PolarHBondContact O-N 2.92Å; E384-T404 WeakPolarHBondContact O-CA 3.22Å; E384-N405 PolarHBondContact N-OD1 2.89Å; E384-N405 PolarHBondContact O-N 3.47Å; E384-N405 VanDerWaalsContact O-N 3.08Å; E384-N405 PolarHBondContact O-OD1 2.85Å
385L91.6Very high81.7Confident19 Ų1970 Ų7010%0.09937%0.371CS..EExtended strand (participates in β ladder)trans-84.3120.6172.7-71.9169.9000110.1I402 T404 L410 I456 A458 L475L385-I402 HydrophobicContact CD2-CG2 3.9Å; L385-T404 HydrophobicContact CD2-CG2 4.37Å; L385-L410 HydrophobicContact CD2-CD1 4.28Å; L385-I456 HydrophobicContact CD1-CG2 4.36Å; L385-A458 HydrophobicContact CD1-CB 3.75Å; L385-A458 HydrophobicContact CD2-CB 3.72Å; L385-A458 HydrophobicContact CG-CB 4.32Å; L385-L475 HydrophobicContact CD1-CB 3.57Å; L385-L475 WeakPolarHBondContact CD1-O 3.2Å; L385-L475 HydrophobicContact CD2-CB 4.44Å; L385-L475 HydrophobicContact CD2-CD1 4.29Å; L385-L475 HydrophobicContact CG-CB 3.7Å; L385-L475 HydrophobicContact CG-CD1 4.12Å
386Q93.3Very high83.4Confident92 Ų9267 Ų6743%0.4336%0.358SS..EExtended strand (participates in β ladder)trans-97.7131.3167.2-66-179.3-13.300109.6Q403 N405Q386-Q403 HydrophobicContact CB-CG 3.81Å; Q386-Q403 PolarHBondContact N-O 2.92Å; Q386-Q403 PolarHBondContact O-N 2.65Å; Q386-N405 HydrophobicContact CG-CB 4.22Å
387T93.5Very high85.1Confident35 Ų3563.9 Ų63.922%0.21534%0.342CS..EExtended strand (participates in β ladder)trans-120.3134.9-178.247.10000109.2T401 I402 I456 Q479T387-T401 CarbonylContact C-O 3.52Å; T387-T401 WeakPolarHBondContact CA-O 3.45Å; T387-I402 HydrophobicContact CG2-CG1 4.33Å; T387-I456 HydrophobicContact CG2-CD1 3.43Å; T387-I456 VanDerWaalsContact CG2-CD1 3.43Å; T387-Q479 PolarHBondContact OG1-OE1 2.95Å
388K93.1Very high86.5Confident124 Ų12463 Ų6354%0.53934%0.337SS..EExtended strand (participates in β ladder)trans-131129176.5-165.2-177.4-172.6-169.50109.2E390 T401K388-E390 HydrophobicContact CD-CG 4.19Å; K388-E390 VanDerWaalsContact CD-OE1 3.29Å; K388-E390 WeakPolarHBondContact CD-OE1 3.45Å; K388-E390 WeakPolarHBondContact CE-OE1 3.41Å; K388-E390 HydrophobicContact CG-CG 4.22Å; K388-E390 IonicContact NZ-OE1 2.73Å; K388-E390 PolarHBondContact NZ-OE1 3.03Å; K388-T401 PolarHBondContact N-O 3.36Å; K388-T401 PolarHBondContact O-N 2.94Å
389L93.2Very high87.7Confident26 Ų2661.1 Ų61.114%0.13633%0.328CS..EExtended strand (participates in β ladder)trans-101.5128.7172.7-72.3171.8000108.8V398 L400 L444 Q479 L481 I529L389-V398 HydrophobicContact CD2-CG1 3.97Å; L389-L400 HydrophobicContact CD2-CB 3.95Å; L389-L400 HydrophobicContact CD2-CD1 3.69Å; L389-L400 HydrophobicContact CD2-CG 4.36Å; L389-L400 HydrophobicContact CG-CD1 4.23Å; L389-L444 HydrophobicContact CD2-CD1 4.4Å; L389-Q479 HydrophobicContact CD1-CG 3.72Å; L389-Q479 HydrophobicContact CG-CG 4Å; L389-L481 HydrophobicContact CD1-CD1 3.98Å; L389-L481 HydrophobicContact CD2-CD1 4.11Å; L389-I529 HydrophobicContact CB-CD1 4.17Å; L389-I529 HydrophobicContact CB-CG2 4.44Å; L389-I529 HydrophobicContact CD1-CD1 4.45Å
390E93Very high88.6Confident73 Ų7360 Ų6034%0.34132%0.322SS..EExtended strand (participates in β ladder)trans-137.4148.2175.6-66.8-179167.800109.6K388 V398 N399K388-E390 HydrophobicContact CD-CG 4.19Å; K388-E390 VanDerWaalsContact CD-OE1 3.29Å; K388-E390 WeakPolarHBondContact CD-OE1 3.45Å; K388-E390 WeakPolarHBondContact CE-OE1 3.41Å; K388-E390 HydrophobicContact CG-CG 4.22Å; K388-E390 IonicContact NZ-OE1 2.73Å; K388-E390 PolarHBondContact NZ-OE1 3.03Å; E390-V398 CarbonylContact O-C 3.47Å; E390-N399 PolarHBondContact N-O 2.82Å; E390-N399 PolarHBondContact O-N 2.75Å
391V90.6Very high89.5Confident9 Ų956.3 Ų56.36%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-83.9125.9171.8-179.50000107.9R488 I529 L549V391-R488 HydrophobicContact CG1-CB 3.94Å; V391-R488 HydrophobicContact CG1-CG 4.07Å; V391-I529 HydrophobicContact CG2-CB 3.89Å; V391-I529 HydrophobicContact CG2-CG2 3.93Å; V391-L549 HydrophobicContact CG1-CD1 3.27Å
392S88.9Confident90.3Very high8 Ų850.9 Ų50.96%0.05626%0.264CS..  trans-61.6139.6179.6-179.20000110K395 C397 N399 R488S392-K395 WeakPolarHBondContact CB-O 3.46Å; S392-K395 PolarHBondContact OG-N 3.3Å; S392-C397 WeakPolarHBondContact CB-O 3.48Å; S392-C397 PolarHBondContact N-O 3.08Å; S392-N399 WeakPolarHBondContact CB-ND2 3.41Å; S392-R488 VanDerWaalsContact O-CZ 3.24Å; S392-R488 PolarHBondContact O-NE 2.91Å; S392-R488 VanDerWaalsContact O-NE 3.15Å; S392-R488 PolarHBondContact O-NH2 2.82Å
393P83.6Confident90.7Very high84 Ų8450 Ų5055%0.54526%0.257SS..SBendtrans-75.6-37.7175.526.6-32.7000112.6R488P393-R488 PolarHBondContact O-NH1 2.91Å; P393-R488 PolarHBondContact O-NH2 2.85Å
394D83.5Confident91Very high151 Ų15150 Ų5081%0.80726%0.256SS*.SBendtrans-93.2-31.8-172.7-54.2-40.9000113.3
395K84.9Confident91.1Very high93 Ų9346.5 Ų46.540%0.40424%0.242SC..SBendtrans-111.9150.9-174.3-65.4-178.8-177.1179.30111.9S392 C397 E443 R488S392-K395 WeakPolarHBondContact CB-O 3.46Å; S392-K395 PolarHBondContact OG-N 3.3Å; K395-C397 VanDerWaalsContact CB-SG 3.56Å; K395-C397 PolarHBondContact O-N 2.77Å; K395-E443 IonicContact NZ-OE1 3.53Å; K395-E443 PolarHBondContact NZ-OE1 2.75Å; K395-E443 IonicContact NZ-OE2 2.75Å; K395-E443 PolarHBondContact NZ-OE2 3.4Å; K395-R488 PolarHBondContact O-NH2 2.65Å
396P86.4Confident90.9Very high65 Ų6547.2 Ų47.242%0.42225%0.246SC..SBendtrans-78.861.6173.532.1-34.3000111.5L549P396-L549 HydrophobicContact CB-CB 3.98Å; P396-L549 WeakPolarHBondContact CB-O 3.07Å
397C89.8Confident90.5Very high0 Ų045 Ų450%025%0.247CC..SBendtrans-144.1161.7-179.761.40000112.4S392 K395 E443 Y445S392-C397 WeakPolarHBondContact CB-O 3.48Å; S392-C397 PolarHBondContact N-O 3.08Å; K395-C397 VanDerWaalsContact CB-SG 3.56Å; K395-C397 PolarHBondContact O-N 2.77Å; C397-E443 HydrophobicContact CB-CB 4.32Å; C397-Y445 HydrophobicContact CB-CD1 4.04Å; C397-Y445 HydrophobicContact CB-CE1 3.52Å; C397-Y445 HydrophobicContact CB-CE2 4.35Å
398V91.6Very high90.2Very high0 Ų043.8 Ų43.80%024%0.24CC..EExtended strand (participates in β ladder)trans-96.3124.4168.31790000108.1L389 E390 L444 L481 C485 L486 I529L389-V398 HydrophobicContact CD2-CG1 3.97Å; E390-V398 CarbonylContact O-C 3.47Å; V398-L444 HydrophobicContact CB-CB 4.3Å; V398-L444 PolarHBondContact N-O 3.31Å; V398-L444 VanDerWaalsContact N-O 3.1Å; V398-L444 WeakPolarHBondContact O-CB 3.39Å; V398-L444 PolarHBondContact O-N 3.17Å; V398-L481 HydrophobicContact CG1-CD1 4.23Å; V398-C485 HydrophobicContact CG2-CB 4.18Å; V398-C485 VanDerWaalsContact CG2-O 3.26Å; V398-C485 WeakPolarHBondContact CG2-O 3.37Å; V398-L486 HydrophobicContact CG2-CD2 3.96Å; V398-L486 HydrophobicContact CG2-CG 4.27Å; V398-I529 HydrophobicContact CB-CD1 4.49Å; V398-I529 HydrophobicContact CG1-CD1 3.53Å; V398-I529 HydrophobicContact CG2-CD1 4.1Å
399N93.6Very high90Very high27 Ų2741.4 Ų41.414%0.14423%0.233CC..EExtended strand (participates in β ladder)trans-89.1118.8174.8-69.2-20.6000109.6E390 S392 I442E390-N399 PolarHBondContact N-O 2.82Å; E390-N399 PolarHBondContact O-N 2.75Å; S392-N399 WeakPolarHBondContact CB-ND2 3.41Å; N399-I442 WeakPolarHBondContact CA-O 3.29Å
400L94.6Very high89.9Confident0 Ų040.2 Ų40.20%023%0.226CC..EExtended strand (participates in β ladder)trans-96.8109.2168173.262.8000108.6L389 I402 L415 S441 I442 L444 I454 I456 Q479L389-L400 HydrophobicContact CD2-CB 3.95Å; L389-L400 HydrophobicContact CD2-CD1 3.69Å; L389-L400 HydrophobicContact CD2-CG 4.36Å; L389-L400 HydrophobicContact CG-CD1 4.23Å; L400-I402 HydrophobicContact CD1-CG1 4.35Å; L400-I402 HydrophobicContact CD2-CD1 4.08Å; L400-I402 HydrophobicContact CD2-CG1 4.34Å; L400-I402 HydrophobicContact CG-CD1 4.21Å; L400-I402 HydrophobicContact CG-CG1 3.97Å; L400-L415 HydrophobicContact CD2-CD1 4.26Å; L400-L415 HydrophobicContact CD2-CD2 4.12Å; L400-S441 WeakPolarHBondContact O-CA 3.37Å; L400-I442 HydrophobicContact CB-CB 4.45Å; L400-I442 PolarHBondContact N-O 2.77Å; L400-I442 PolarHBondContact O-N 2.99Å; L400-L444 HydrophobicContact CB-CD1 3.86Å; L400-L444 HydrophobicContact CB-CG 4.28Å; L400-L444 HydrophobicContact CD2-CD1 4.33Å; L400-I454 HydrophobicContact CD2-CD1 4.45Å; L400-I454 HydrophobicContact CD2-CG2 4.29Å; L400-I456 HydrophobicContact CD1-CD1 4.47Å; L400-I456 HydrophobicContact CD2-CD1 4.12Å; L400-Q479 HydrophobicContact CD1-CG 4.39Å
401T94.6Very high89.6Confident28 Ų2837.6 Ų37.617%0.17221%0.213CC..EExtended strand (participates in β ladder)trans-93.4127.9172.9-55.30000109.4T387 K388 T439 F440T387-T401 CarbonylContact C-O 3.52Å; T387-T401 WeakPolarHBondContact CA-O 3.45Å; K388-T401 PolarHBondContact N-O 3.36Å; K388-T401 PolarHBondContact O-N 2.94Å; T401-T439 HydrophobicContact CG2-CG2 3.69Å; T401-F440 CarbonylContact C-O 3.53Å; T401-F440 WeakPolarHBondContact CA-O 3.45Å
402I94.5Very high89.7Confident0 Ų037.8 Ų37.80%022%0.215CC..EExtended strand (participates in β ladder)trans-121.2119.4179.9-56.3171.9000106.9L385 T387 L400 V413 L415 T439 F440 I442 I456L385-I402 HydrophobicContact CD2-CG2 3.9Å; T387-I402 HydrophobicContact CG2-CG1 4.33Å; L400-I402 HydrophobicContact CD1-CG1 4.35Å; L400-I402 HydrophobicContact CD2-CD1 4.08Å; L400-I402 HydrophobicContact CD2-CG1 4.34Å; L400-I402 HydrophobicContact CG-CD1 4.21Å; L400-I402 HydrophobicContact CG-CG1 3.97Å; I402-V413 HydrophobicContact CD1-CG1 3.76Å; I402-L415 HydrophobicContact CD1-CD2 3.77Å; I402-T439 CarbonylContact O-C 3.57Å; I402-T439 VanDerWaalsContact O-CA 3.26Å; I402-T439 WeakPolarHBondContact O-CA 3.45Å; I402-F440 PolarHBondContact N-O 2.97Å; I402-F440 PolarHBondContact O-N 2.71Å; I402-I442 HydrophobicContact CD1-CD1 3.56Å; I402-I442 HydrophobicContact CG1-CD1 4.49Å; I402-I456 HydrophobicContact CD1-CD1 4.18Å; I402-I456 HydrophobicContact CD1-CG1 4.44Å; I402-I456 HydrophobicContact CD1-CG2 3.78Å; I402-I456 HydrophobicContact CG1-CD1 4.4Å; I402-I456 HydrophobicContact CG2-CG2 4.3Å
403Q94Very high89.9Confident77 Ų7737.4 Ų37.436%0.3621%0.212SC..EExtended strand (participates in β ladder)trans-136.2151.618071.3-176.9800111.5Q386 S438 T439Q386-Q403 HydrophobicContact CB-CG 3.81Å; Q386-Q403 PolarHBondContact N-O 2.92Å; Q386-Q403 PolarHBondContact O-N 2.65Å; Q403-S438 WeakPolarHBondContact CA-O 3.47Å; Q403-T439 HydrophobicContact CB-CG2 4.03Å
404T92.8Very high90.4Very high8 Ų834.2 Ų34.25%0.04919%0.192CC..EExtended strand (participates in β ladder)trans-83.9140.6167.457.50000110.6T383 E384 L385 D406 G407 T408 L410 S438 L475T383-T404 HydrophobicContact CG2-CG2 4.4Å; E384-T404 WeakPolarHBondContact O-CA 3.22Å; L385-T404 HydrophobicContact CD2-CG2 4.37Å; T404-D406 PolarHBondContact O-N 3Å; T404-G407 PolarHBondContact OG1-N 2.87Å; T404-T408 WeakPolarHBondContact CG2-O 3.18Å; T404-T408 PolarHBondContact OG1-N 2.91Å; T404-T408 PolarHBondContact OG1-O 2.78Å; T404-L410 HydrophobicContact CG2-CD1 4.21Å; T404-L410 HydrophobicContact CG2-CD2 3.73Å; T404-L410 HydrophobicContact CG2-CG 3.98Å; T404-S438 PolarHBondContact N-O 2.61Å; T404-L475 HydrophobicContact CG2-CD1 4.47Å
405N91.5Very high90.9Very high57 Ų5727 Ų2731%0.30515%0.153SC..THydrogen-bonded Turntrans-63.6-20.9179.265.8-19.6000115.2N382 T383 E384 Q386N382-N405 PolarHBondContact O-ND2 2.57Å; N382-N405 PolarHBondContact O-OD1 3.09Å; T383-N405 WeakPolarHBondContact CA-OD1 3.21Å; E384-N405 PolarHBondContact N-OD1 2.89Å; E384-N405 PolarHBondContact O-N 3.47Å; E384-N405 VanDerWaalsContact O-N 3.08Å; E384-N405 PolarHBondContact O-OD1 2.85Å; Q386-N405 HydrophobicContact CG-CB 4.22Å
406D87.2Confident91.3Very high35 Ų3525.7 Ų25.719%0.18715%0.147CC..THydrogen-bonded Turntrans-119.18.3-171.268.9-9.3000114.4K380 T383 T404 T408K380-D406 HydrophobicContact CD-CB 4.36Å; T383-D406 WeakPolarHBondContact CG2-OD1 3.5Å; T383-D406 PolarHBondContact OG1-OD2 2.85Å; T404-D406 PolarHBondContact O-N 3Å; D406-T408 VanDerWaalsContact OD1-CB 3.28Å; D406-T408 WeakPolarHBondContact OD1-CB 3.2Å; D406-T408 PolarHBondContact OD1-N 3.28Å; D406-T408 PolarHBondContact OD1-OG1 2.84Å; D406-T408 PolarHBondContact OD2-OG1 3.33Å; D406-T408 VanDerWaalsContact OD2-OG1 3.08Å
407G84.8Confident91.4Very high44 Ų4422.8 Ų22.845%0.45413%0.129SC..  trans77.814.3-178.800000115.2T404 L409T404-G407 PolarHBondContact OG1-N 2.87Å; G407-L409 PolarHBondContact O-N 3.16Å
408T87.7Confident90.9Very high10 Ų1025.7 Ų25.76%0.06114%0.143CC..  trans-60.9130.5175-60.50000111.5T383 T404 D406 S438 A460T383-T408 HydrophobicContact CG2-CG2 4.34Å; T404-T408 WeakPolarHBondContact CG2-O 3.18Å; T404-T408 PolarHBondContact OG1-N 2.91Å; T404-T408 PolarHBondContact OG1-O 2.78Å; D406-T408 VanDerWaalsContact OD1-CB 3.28Å; D406-T408 WeakPolarHBondContact OD1-CB 3.2Å; D406-T408 PolarHBondContact OD1-N 3.28Å; D406-T408 PolarHBondContact OD1-OG1 2.84Å; D406-T408 PolarHBondContact OD2-OG1 3.33Å; D406-T408 VanDerWaalsContact OD2-OG1 3.08Å; T408-S438 WeakPolarHBondContact O-CA 3.43Å; T408-S438 WeakPolarHBondContact O-CB 3.23Å; T408-A460 HydrophobicContact CG2-CB 4Å
409L89.5Confident90.1Very high75 Ų7527.8 Ų27.839%0.39316%0.164SC..  trans-73143.1-177.8-58.6177.9000111.1G407 Y436 I461G407-L409 PolarHBondContact O-N 3.16Å; L409-Y436 WeakPolarHBondContact CD2-O 3.27Å; L409-I461 HydrophobicContact CB-CB 4.36Å; L409-I461 HydrophobicContact CB-CD1 4Å; L409-I461 WeakPolarHBondContact O-CB 3.26Å; L409-I461 PolarHBondContact O-N 2.78Å
410L90.1Very high89.6Confident0 Ų027.1 Ų27.10%016%0.16CC..EExtended strand (participates in β ladder)trans-109.8131.3-179.3-63.8178.3000110.2L385 T404 V413 T437 F440 A458 Y459 A460L385-L410 HydrophobicContact CD2-CD1 4.28Å; T404-L410 HydrophobicContact CG2-CD1 4.21Å; T404-L410 HydrophobicContact CG2-CD2 3.73Å; T404-L410 HydrophobicContact CG2-CG 3.98Å; L410-V413 HydrophobicContact CD1-CG2 4.3Å; L410-T437 PolarHBondContact N-O 3.25Å; L410-F440 HydrophobicContact CB-CD2 4.23Å; L410-F440 HydrophobicContact CB-CE2 3.53Å; L410-F440 HydrophobicContact CB-CZ 4.47Å; L410-F440 HydrophobicContact CD1-CD2 3.95Å; L410-F440 HydrophobicContact CD1-CE2 4.12Å; L410-F440 HydrophobicContact CG-CE2 4.47Å; L410-A458 HydrophobicContact CD1-CB 4.25Å; L410-A458 HydrophobicContact CD2-CB 3.99Å; L410-Y459 CarbonylContact C-O 3.54Å; L410-Y459 WeakPolarHBondContact CA-O 3.38Å; L410-A460 HydrophobicContact CD2-CB 4.04Å
411R88.1Confident89.2Confident18 Ų1828.5 Ų28.57%0.06817%0.166CC..EExtended strand (participates in β ladder)trans-78.9-44.4176.2174.254.7174.2154.7-15.3111.8H429 P430 E432 Y436 Y459 I461 Y472R411-H429 PolarHBondContact NE-NE2 2.84Å; R411-H429 PolarHBondContact NH2-NE2 2.72Å; R411-P430 PolarHBondContact NH1-O 3.2Å; R411-P430 WeakPolarHBondContact O-CD 3.46Å; R411-E432 VanDerWaalsContact NH2-CG 3.29Å; R411-E432 IonicContact NH2-OE1 3.13Å; R411-E432 PolarHBondContact NH2-OE1 2.81Å; R411-Y436 PolarHBondContact NH1-OH 2.94Å; R411-Y436 VanDerWaalsContact NH1-OH 3.15Å; R411-Y459 PolarHBondContact N-O 2.82Å; R411-I461 HydrophobicContact CB-CD1 4.09Å; R411-I461 HydrophobicContact CB-CG1 3.87Å; R411-Y472 HydrophobicContact CB-CD1 4.01Å; R411-Y472 HydrophobicContact CB-CE1 3.78Å; R411-Y472 HydrophobicContact CG-CD1 4.41Å; R411-Y472 HydrophobicContact CG-CE1 3.85Å; R411-Y472 HydrophobicContact CG-CE2 4.47Å
412C91.4Very high88.4Confident13 Ų1338.7 Ų38.79%0.08820%0.201CC..EExtended strand (participates in β ladder)trans-154.3147.9-171.8-173.30000109.5I428 A458 Y459C412-I428 WeakPolarHBondContact CA-O 3.3Å; C412-I428 PolarHBondContact SG-O 2.97Å; C412-A458 WeakPolarHBondContact O-CA 3.39Å; C412-Y459 HydrophobicContact CB-CD2 4.1Å; C412-Y459 HydrophobicContact CB-CG 4.44Å; C412-Y459 PolarHBondContact O-N 2.83Å
413V93.7Very high87.6Confident0 Ų044.9 Ų44.90%023%0.234CC..EExtended strand (participates in β ladder)trans-124.5133.1168.7-178.90000108.9I402 L410 L415 I428 F440 I456 A458I402-V413 HydrophobicContact CD1-CG1 3.76Å; L410-V413 HydrophobicContact CD1-CG2 4.3Å; V413-L415 HydrophobicContact CG1-CD2 4.02Å; V413-I428 PolarHBondContact N-O 3.32Å; V413-I428 PolarHBondContact O-N 2.83Å; V413-F440 HydrophobicContact CG2-CD2 3.39Å; V413-F440 HydrophobicContact CG2-CE2 3.7Å; V413-F440 HydrophobicContact CG2-CG 4.22Å; V413-I456 HydrophobicContact CG1-CG2 4.01Å; V413-A458 HydrophobicContact CG2-CB 3.99Å
414V94.7Very high87Confident18 Ų1845.7 Ų45.711%0.10924%0.238CC..EExtended strand (participates in β ladder)trans-117.6118.9174.5-173.90000107.8F416 V427 K457 Y459V414-F416 HydrophobicContact CB-CE2 4.18Å; V414-F416 HydrophobicContact CG1-CD2 4.01Å; V414-F416 HydrophobicContact CG1-CE1 4.46Å; V414-F416 HydrophobicContact CG1-CE2 3.32Å; V414-F416 HydrophobicContact CG1-CZ 3.59Å; V414-V427 HydrophobicContact CG1-CG2 4.01Å; V414-V427 HydrophobicContact CG2-CG1 4.27Å; V414-V427 HydrophobicContact CG2-CG2 4.2Å; V414-K457 HydrophobicContact CB-CB 4.35Å; V414-K457 PolarHBondContact N-O 3Å; V414-K457 PolarHBondContact O-N 2.92Å; V414-Y459 HydrophobicContact CG2-CE2 4.17Å
415L94.3Very high86.9Confident0 Ų047.2 Ų47.20%025%0.249CC..EExtended strand (participates in β ladder)trans-97.1135.2172.3-54.5-178.8000109L400 I402 V413 F421 S425 H426 I442 L444 I454 F455 I456L400-L415 HydrophobicContact CD2-CD1 4.26Å; L400-L415 HydrophobicContact CD2-CD2 4.12Å; I402-L415 HydrophobicContact CD1-CD2 3.77Å; V413-L415 HydrophobicContact CG1-CD2 4.02Å; L415-F421 HydrophobicContact CB-CE2 3.79Å; L415-F421 HydrophobicContact CB-CZ 3.73Å; L415-F421 HydrophobicContact CD1-CE1 4.38Å; L415-F421 HydrophobicContact CD1-CZ 3.7Å; L415-F421 HydrophobicContact CG-CZ 4.4Å; L415-S425 CarbonylContact O-C 3.59Å; L415-S425 WeakPolarHBondContact O-CA 3.32Å; L415-S425 WeakPolarHBondContact O-CB 3.24Å; L415-H426 HydrophobicContact CB-CB 4.36Å; L415-H426 PolarHBondContact N-O 2.96Å; L415-H426 PolarHBondContact O-N 2.82Å; L415-I442 HydrophobicContact CD1-CB 4.5Å; L415-I442 HydrophobicContact CD1-CD1 3.59Å; L415-I442 HydrophobicContact CD1-CG2 3.91Å; L415-I442 HydrophobicContact CD2-CD1 4.12Å; L415-I442 HydrophobicContact CG-CD1 4.07Å; L415-L444 HydrophobicContact CD1-CD2 4.43Å; L415-I454 HydrophobicContact CB-CG2 4.37Å; L415-I454 HydrophobicContact CD2-CG2 4.22Å; L415-F455 CarbonylContact C-O 3.45Å; L415-F455 WeakPolarHBondContact CA-O 3.47Å; L415-I456 HydrophobicContact CD2-CB 4.27Å; L415-I456 HydrophobicContact CD2-CD1 4.5Å; L415-I456 HydrophobicContact CD2-CG1 3.66Å; L415-I456 HydrophobicContact CD2-CG2 4.12Å
416F92Very high86.9Confident64 Ų6448.4 Ų48.428%0.28125%0.253SS..EExtended strand (participates in β ladder)trans-117.1122.1166.2-63.9-91.6000108.4V414 E424 F455 K457V414-F416 HydrophobicContact CB-CE2 4.18Å; V414-F416 HydrophobicContact CG1-CD2 4.01Å; V414-F416 HydrophobicContact CG1-CE1 4.46Å; V414-F416 HydrophobicContact CG1-CE2 3.32Å; V414-F416 HydrophobicContact CG1-CZ 3.59Å; F416-E424 WeakPolarHBondContact CA-O 3.49Å; F416-F455 HydrophobicContact CB-CB 4.23Å; F416-F455 PolarHBondContact N-O 3.06Å; F416-F455 PolarHBondContact O-N 3.39Å; F416-K457 HydrophobicContact CE2-CD 4.1Å
417A88.8Confident87.2Confident4 Ų450.6 Ų50.63%0.03327%0.267CS..  trans-152.6145.5173.500000108.8I420 F421 E424 T452 I454A417-I420 HydrophobicContact CB-CB 4.23Å; A417-I420 HydrophobicContact CB-CD1 3.81Å; A417-I420 HydrophobicContact CB-CG1 4.23Å; A417-F421 HydrophobicContact CB-CD2 4.11Å; A417-F421 HydrophobicContact CB-CE2 3.65Å; A417-F421 HydrophobicContact CB-CZ 4.45Å; A417-E424 PolarHBondContact N-O 3.28Å; A417-T452 HydrophobicContact CB-CG2 4.4Å; A417-I454 HydrophobicContact CB-CB 4.46Å; A417-I454 HydrophobicContact CB-CG1 4.04Å; A417-I454 HydrophobicContact CB-CG2 4.42Å
418E79.4Confident87.5Confident62 Ų6250.2 Ų50.229%0.2925%0.254SS..THydrogen-bonded Turntrans-94138.7-179-65.9176.415900111T209 R243 I420 T452T209-E418 HydrophobicContact CG2-CB 3.51Å; T209-E418 HydrophobicContact CG2-CG 4.17Å; T209-E418 WeakPolarHBondContact CG2-OE2 3.36Å; R243-E418 VanDerWaalsContact CZ-CD 3.44Å; R243-E418 IonicContact CZ-OE1 2.95Å; R243-E418 IonicContact CZ-OE2 3.77Å; R243-E418 IonicContact NE-OE1 3.82Å; R243-E418 VanDerWaalsContact NH1-CD 3.33Å; R243-E418 IonicContact NH1-OE1 3.39Å; R243-E418 PolarHBondContact NH1-OE1 3.13Å; R243-E418 IonicContact NH1-OE2 2.66Å; R243-E418 PolarHBondContact NH1-OE2 3.36Å; R243-E418 IonicContact NH2-OE1 3.74Å; R243-E418 PolarHBondContact NH2-OE1 2.73Å; R243-E418 IonicContact NH2-OE2 3.16Å; R243-E418 PolarHBondContact NH2-OE2 3.19Å; E418-I420 PolarHBondContact O-N 3.32Å; E418-T452 WeakPolarHBondContact O-CG2 3.14Å
419G74.6Confident87.6Confident43 Ų4354.6 Ų54.644%0.44327%0.274SS..THydrogen-bonded Turntrans72.7-11.7176.800000115.9
420I83.7Confident87.5Confident14 Ų1452.1 Ų52.17%0.07226%0.262CS..THydrogen-bonded Turntrans-84.9-47.4175.9-58.1-178.4000111.1A417 E418 L444 T452 I454 L481A417-I420 HydrophobicContact CB-CB 4.23Å; A417-I420 HydrophobicContact CB-CD1 3.81Å; A417-I420 HydrophobicContact CB-CG1 4.23Å; E418-I420 PolarHBondContact O-N 3.32Å; I420-L444 HydrophobicContact CG2-CD2 4.33Å; I420-T452 HydrophobicContact CD1-CG2 3.8Å; I420-T452 HydrophobicContact CG1-CG2 4.12Å; I420-I454 HydrophobicContact CD1-CD1 4.1Å; I420-I454 HydrophobicContact CD1-CG1 4.07Å; I420-L481 HydrophobicContact CD1-CD2 3.69Å
421F85.6Confident87.3Confident28 Ų2855.8 Ų55.812%0.12329%0.286CS..SBendtrans-89.9165.5-179.6-52.4-56.7000111.2L415 A417 D423 H426 L444L415-F421 HydrophobicContact CB-CE2 3.79Å; L415-F421 HydrophobicContact CB-CZ 3.73Å; L415-F421 HydrophobicContact CD1-CE1 4.38Å; L415-F421 HydrophobicContact CD1-CZ 3.7Å; L415-F421 HydrophobicContact CG-CZ 4.4Å; A417-F421 HydrophobicContact CB-CD2 4.11Å; A417-F421 HydrophobicContact CB-CE2 3.65Å; A417-F421 HydrophobicContact CB-CZ 4.45Å; F421-D423 CarbonylContact C-O 3.59Å; F421-D423 WeakPolarHBondContact CB-O 3.26Å; F421-D423 PolarHBondContact O-N 2.9Å; F421-H426 HydrophobicContact CD1-CB 3.61Å; F421-H426 HydrophobicContact CD2-CB 4.09Å; F421-H426 HydrophobicContact CE1-CB 3.5Å; F421-H426 VanDerWaalsContact CE1-CB 3.5Å; F421-H426 HydrophobicContact CE2-CB 3.98Å; F421-H426 HydrophobicContact CG-CB 3.92Å; F421-H426 HydrophobicContact CZ-CB 3.7Å; F421-L444 HydrophobicContact CE1-CD2 3.86Å; F421-L444 HydrophobicContact CZ-CD2 4.03Å
422R77.2Confident86.9Confident242 Ų24261.7 Ų61.791%0.91332%0.315SS*.SBendtrans-63.3-37.1172.9-71.1-174.9-178.4177.80.8111.4
423D79.5Confident86.4Confident130 Ų13068.6 Ų68.670%0.69535%0.351SS*.SBendtrans-112.4-153.3174.5-59.4-50.4000109.6F421F421-D423 CarbonylContact C-O 3.59Å; F421-D423 WeakPolarHBondContact CB-O 3.26Å; F421-D423 PolarHBondContact O-N 2.9Å
424E81.3Confident85.9Confident95 Ų9572 Ų7244%0.44437%0.371SS..SBendtrans-88.1-19.218062.6-165.8-167.800115.3K245 F416 A417K245-E424 WeakPolarHBondContact CE-OE2 3.41Å; K245-E424 IonicContact NZ-OE2 3.4Å; K245-E424 PolarHBondContact NZ-OE2 3.18Å; F416-E424 WeakPolarHBondContact CA-O 3.49Å; A417-E424 PolarHBondContact N-O 3.28Å
425S89.7Confident85.3Confident40 Ų4076.2 Ų76.228%0.2840%0.399SS..EExtended strand (participates in β ladder)trans-141.1154.7-173.465.20000112.5L415L415-S425 CarbonylContact O-C 3.59Å; L415-S425 WeakPolarHBondContact O-CA 3.32Å; L415-S425 WeakPolarHBondContact O-CB 3.24Å
426H92Very high84.7Confident82 Ų8278.4 Ų78.438%0.3841%0.408SS..EExtended strand (participates in β ladder)trans-126.5120.9171.9-170.468000108.8L415 F421L415-H426 HydrophobicContact CB-CB 4.36Å; L415-H426 PolarHBondContact N-O 2.96Å; L415-H426 PolarHBondContact O-N 2.82Å; F421-H426 HydrophobicContact CD1-CB 3.61Å; F421-H426 HydrophobicContact CD2-CB 4.09Å; F421-H426 HydrophobicContact CE1-CB 3.5Å; F421-H426 VanDerWaalsContact CE1-CB 3.5Å; F421-H426 HydrophobicContact CE2-CB 3.98Å; F421-H426 HydrophobicContact CG-CB 3.92Å; F421-H426 HydrophobicContact CZ-CB 3.7Å
427V92.9Very high84.5Confident81 Ų8178.3 Ų78.349%0.49141%0.413SS..EExtended strand (participates in β ladder)trans-108.9124.4-175.4-178.40000109.1V414 H429V414-V427 HydrophobicContact CG1-CG2 4.01Å; V414-V427 HydrophobicContact CG2-CG1 4.27Å; V414-V427 HydrophobicContact CG2-CG2 4.2Å; V427-H429 HydrophobicContact CG1-CB 4.35Å
428I91.1Very high84.4Confident35 Ų3579.8 Ų79.818%0.17942%0.423CS..EExtended strand (participates in β ladder)trans-107.7110.8172.5-58.5-178.9000107.7C412 V413 F440 I442C412-I428 WeakPolarHBondContact CA-O 3.3Å; C412-I428 PolarHBondContact SG-O 2.97Å; V413-I428 PolarHBondContact N-O 3.32Å; V413-I428 PolarHBondContact O-N 2.83Å; I428-F440 HydrophobicContact CG2-CD1 4Å; I428-F440 HydrophobicContact CG2-CE1 4.06Å; I428-I442 HydrophobicContact CD1-CB 4.2Å; I428-I442 HydrophobicContact CD1-CD1 3.29Å; I428-I442 HydrophobicContact CD1-CG1 3.32Å; I428-I442 HydrophobicContact CD1-CG2 4Å; I428-I442 HydrophobicContact CG1-CD1 4.48Å
429H90.6Very high85Confident102 Ų10279.5 Ų79.547%0.47243%0.425SS..  trans-131.192-178.7-177.1-95000109.7R411 V427R411-H429 PolarHBondContact NE-NE2 2.84Å; R411-H429 PolarHBondContact NH2-NE2 2.72Å; V427-H429 HydrophobicContact CG1-CB 4.35Å
430P87.1Confident85.9Confident23 Ų2378.3 Ų78.315%0.14941%0.408CS..  trans-59.2139.6177.1-23.134000111.5R411 F440R411-P430 PolarHBondContact NH1-O 3.2Å; R411-P430 WeakPolarHBondContact O-CD 3.46Å; P430-F440 HydrophobicContact CG-CE1 3.54Å; P430-F440 HydrophobicContact CG-CZ 3.73Å
431P85.9Confident86.2Confident78 Ų7881.3 Ų81.351%0.50643%0.43SS..  trans-65151.5175.126-31.1000110.8N433 V434P431-N433 PolarHBondContact O-N 3.48Å; P431-V434 HydrophobicContact CG-CG2 3.9Å; P431-V434 PolarHBondContact O-N 2.89Å
432E80.1Confident86.5Confident142 Ų14280.2 Ų80.266%0.66443%0.425SS*.THydrogen-bonded Turntrans-61.5-19.7-174.1-66.6-175.6172.500114.3R411 V434R411-E432 VanDerWaalsContact NH2-CG 3.29Å; R411-E432 IonicContact NH2-OE1 3.13Å; R411-E432 PolarHBondContact NH2-OE1 2.81Å; E432-V434 PolarHBondContact O-N 3.04Å
433N81.1Confident87.3Confident157 Ų15772.6 Ų72.684%0.8440%0.4SS*.THydrogen-bonded Turntrans-75.9-10.6179.7-55.2-7.1000112.7P431P431-N433 PolarHBondContact O-N 3.48Å
434V82.6Confident87.8Confident71 Ų7166.5 Ų66.543%0.4337%0.367SS..SBendtrans-103.3133.7-179.7179.10000108.7P431 E432 Y436P431-V434 HydrophobicContact CG-CG2 3.9Å; P431-V434 PolarHBondContact O-N 2.89Å; E432-V434 PolarHBondContact O-N 3.04Å; V434-Y436 PolarHBondContact O-N 3.39Å
435P81.1Confident88.2Confident108 Ų10867.4 Ų67.470%0.70137%0.368SS*.PPolyproline II helixtrans-59.4132.4176.624.1-33.1000110.4
436Y82.9Confident88.2Confident45 Ų4566 Ų6618%0.17636%0.357CS..PPolyproline II helixtrans-61.5144.5175-60.4-69.6000110.6L409 R411 V434 I461L409-Y436 WeakPolarHBondContact CD2-O 3.27Å; R411-Y436 PolarHBondContact NH1-OH 2.94Å; R411-Y436 VanDerWaalsContact NH1-OH 3.15Å; V434-Y436 PolarHBondContact O-N 3.39Å; Y436-I461 HydrophobicContact CD1-CD1 3.76Å; Y436-I461 HydrophobicContact CD2-CD1 3.7Å; Y436-I461 HydrophobicContact CE1-CD1 4.25Å; Y436-I461 HydrophobicContact CE2-CD1 4.21Å; Y436-I461 HydrophobicContact CG-CD1 3.46Å; Y436-I461 VanDerWaalsContact CG-CD1 3.46Å
437T86.9Confident87.7Confident63 Ų6369 Ų6939%0.38737%0.369SS..BIsolated β-bridgetrans-115.7155.2177.660.70000110L410 T439L410-T437 PolarHBondContact N-O 3.25Å; T437-T439 VanDerWaalsContact C-N 3.27Å; T437-T439 WeakPolarHBondContact CB-O 3.38Å; T437-T439 PolarHBondContact OG1-O 3.28Å
438S87.9Confident87.2Confident34 Ų3469.1 Ų69.124%0.23836%0.361CS..SBendtrans-83.6-8169.256.50000112.7Q403 T404 T408Q403-S438 WeakPolarHBondContact CA-O 3.47Å; T404-S438 PolarHBondContact N-O 2.61Å; T408-S438 WeakPolarHBondContact O-CA 3.43Å; T408-S438 WeakPolarHBondContact O-CB 3.23Å
439T91.9Very high87Confident56 Ų5667.7 Ų67.734%0.34435%0.354SS..EExtended strand (participates in β ladder)trans-133.1133.8-172.4-52.20000110.5T401 I402 Q403 T437T401-T439 HydrophobicContact CG2-CG2 3.69Å; I402-T439 CarbonylContact O-C 3.57Å; I402-T439 VanDerWaalsContact O-CA 3.26Å; I402-T439 WeakPolarHBondContact O-CA 3.45Å; Q403-T439 HydrophobicContact CB-CG2 4.03Å; T437-T439 VanDerWaalsContact C-N 3.27Å; T437-T439 WeakPolarHBondContact CB-O 3.38Å; T437-T439 PolarHBondContact OG1-O 3.28Å
440F92.2Very high86.7Confident19 Ų1965.8 Ų65.88%0.08335%0.346CS..EExtended strand (participates in β ladder)trans-122.8142.3171-71.8-72000109.9T401 I402 L410 V413 I428 P430T401-F440 CarbonylContact C-O 3.53Å; T401-F440 WeakPolarHBondContact CA-O 3.45Å; I402-F440 PolarHBondContact N-O 2.97Å; I402-F440 PolarHBondContact O-N 2.71Å; L410-F440 HydrophobicContact CB-CD2 4.23Å; L410-F440 HydrophobicContact CB-CE2 3.53Å; L410-F440 HydrophobicContact CB-CZ 4.47Å; L410-F440 HydrophobicContact CD1-CD2 3.95Å; L410-F440 HydrophobicContact CD1-CE2 4.12Å; L410-F440 HydrophobicContact CG-CE2 4.47Å; V413-F440 HydrophobicContact CG2-CD2 3.39Å; V413-F440 HydrophobicContact CG2-CE2 3.7Å; V413-F440 HydrophobicContact CG2-CG 4.22Å; I428-F440 HydrophobicContact CG2-CD1 4Å; I428-F440 HydrophobicContact CG2-CE1 4.06Å; P430-F440 HydrophobicContact CG-CE1 3.54Å; P430-F440 HydrophobicContact CG-CZ 3.73Å
441S91.8Very high86.8Confident76 Ų7667.3 Ų67.353%0.53136%0.361SS..EExtended strand (participates in β ladder)trans-119.9132.9171.1-1750000109L400L400-S441 WeakPolarHBondContact O-CA 3.37Å
442I92Very high86.9Confident6 Ų664.8 Ų64.83%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-131.5125.6-168.1-45.7179000108.8N399 L400 I402 L415 I428 L444N399-I442 WeakPolarHBondContact CA-O 3.29Å; L400-I442 HydrophobicContact CB-CB 4.45Å; L400-I442 PolarHBondContact N-O 2.77Å; L400-I442 PolarHBondContact O-N 2.99Å; I402-I442 HydrophobicContact CD1-CD1 3.56Å; I402-I442 HydrophobicContact CG1-CD1 4.49Å; L415-I442 HydrophobicContact CD1-CB 4.5Å; L415-I442 HydrophobicContact CD1-CD1 3.59Å; L415-I442 HydrophobicContact CD1-CG2 3.91Å; L415-I442 HydrophobicContact CD2-CD1 4.12Å; L415-I442 HydrophobicContact CG-CD1 4.07Å; I428-I442 HydrophobicContact CD1-CB 4.2Å; I428-I442 HydrophobicContact CD1-CD1 3.29Å; I428-I442 HydrophobicContact CD1-CG1 3.32Å; I428-I442 HydrophobicContact CD1-CG2 4Å; I428-I442 HydrophobicContact CG1-CD1 4.48Å; I442-L444 HydrophobicContact CG2-CD2 4.32Å
443E92.3Very high87.4Confident82 Ų8261.8 Ų61.838%0.38333%0.332SS..EExtended strand (participates in β ladder)trans-85.7117.4178.8-61.4178.9179.900109.6K395 C397 Y445K395-E443 IonicContact NZ-OE1 3.53Å; K395-E443 PolarHBondContact NZ-OE1 2.75Å; K395-E443 IonicContact NZ-OE2 2.75Å; K395-E443 PolarHBondContact NZ-OE2 3.4Å; C397-E443 HydrophobicContact CB-CB 4.32Å; E443-Y445 HydrophobicContact CB-CE2 3.89Å; E443-Y445 PolarHBondContact OE2-OH 3Å; E443-Y445 VanDerWaalsContact OE2-OH 3.14Å
444L91.7Very high88Confident1 Ų154.3 Ų54.31%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-102.8137.7178-56.7176.7000110.4L389 V398 L400 L415 I420 F421 I442 P446 I454L389-L444 HydrophobicContact CD2-CD1 4.4Å; V398-L444 HydrophobicContact CB-CB 4.3Å; V398-L444 PolarHBondContact N-O 3.31Å; V398-L444 VanDerWaalsContact N-O 3.1Å; V398-L444 WeakPolarHBondContact O-CB 3.39Å; V398-L444 PolarHBondContact O-N 3.17Å; L400-L444 HydrophobicContact CB-CD1 3.86Å; L400-L444 HydrophobicContact CB-CG 4.28Å; L400-L444 HydrophobicContact CD2-CD1 4.33Å; L415-L444 HydrophobicContact CD1-CD2 4.43Å; I420-L444 HydrophobicContact CG2-CD2 4.33Å; F421-L444 HydrophobicContact CE1-CD2 3.86Å; F421-L444 HydrophobicContact CZ-CD2 4.03Å; I442-L444 HydrophobicContact CG2-CD2 4.32Å; L444-P446 VanDerWaalsContact C-CD 3.44Å; L444-P446 WeakPolarHBondContact O-CD 3.4Å; L444-I454 HydrophobicContact CD1-CD1 3.55Å
445Y89.4Confident88.6Confident115 Ų11555.4 Ų55.445%0.45129%0.292SS..  trans-125.270.3178.3-61.3-86.1000112.5C397 E443 K447C397-Y445 HydrophobicContact CB-CD1 4.04Å; C397-Y445 HydrophobicContact CB-CE1 3.52Å; C397-Y445 HydrophobicContact CB-CE2 4.35Å; E443-Y445 HydrophobicContact CB-CE2 3.89Å; E443-Y445 PolarHBondContact OE2-OH 3Å; E443-Y445 VanDerWaalsContact OE2-OH 3.14Å; Y445-K447 PolarHBondContact O-N 3.28Å
446P88Confident89.2Confident9 Ų950.3 Ų50.36%0.05826%0.258CS..  trans-58.1129.1176.4-23.633.5000112.9L444 L481 L486 R550L444-P446 VanDerWaalsContact C-CD 3.44Å; L444-P446 WeakPolarHBondContact O-CD 3.4Å; P446-L481 HydrophobicContact CB-CD2 4.33Å; P446-L481 HydrophobicContact CG-CD2 3.54Å; P446-L486 HydrophobicContact CB-CD1 4.14Å; P446-L486 HydrophobicContact CG-CD1 4.35Å; P446-L486 WeakPolarHBondContact O-CD1 3.49Å; P446-R550 PolarHBondContact O-NE 2.85Å; P446-R550 PolarHBondContact O-NH2 3.46Å
447K82.1Confident89.8Confident145 Ų14552.3 Ų52.363%0.6327%0.268SS*.SBendtrans-81.5-23.9-176.7-65.7-178.6-177.4172.40114.4Y445 R550Y445-K447 PolarHBondContact O-N 3.28Å; K447-R550 PolarHBondContact O-NE 2.87Å
448R81.8Confident90.1Very high84 Ų8449.3 Ų49.332%0.31725%0.25SC..SBendtrans-137.3161.1-175.1-66.3-174.1177.3-175.1-1.7110.6D191 Y192 I450 R550D191-R448 VanDerWaalsContact O-CZ 3.32Å; D191-R448 PolarHBondContact O-NH1 2.9Å; D191-R448 PolarHBondContact O-NH2 2.85Å; Y192-R448 VanDerWaalsContact CD2-CZ 3.47Å; R448-I450 VanDerWaalsContact C-N 3.31Å; R448-I450 HydrophobicContact CB-CD1 3.99Å; R448-I450 HydrophobicContact CB-CG1 4.11Å; R448-I450 PolarHBondContact O-N 3.45Å; R448-I450 VanDerWaalsContact O-N 3.13Å; R448-R550 VanDerWaalsContact C-NH2 3.34Å; R448-R550 PolarHBondContact O-NH2 3.24Å
449D87.1Confident90.3Very high6 Ų652 Ų523%0.03226%0.255CS..SBendtrans-88.372.6178.9-53.9-40.1000110.1Q483 F484 Y487 R550D449-Q483 CarbonylContact C-O 3.58Å; D449-Q483 WeakPolarHBondContact CA-O 3.31Å; D449-Q483 HydrophobicContact CB-CG 4.43Å; D449-Q483 WeakPolarHBondContact CB-O 3.48Å; D449-Q483 WeakPolarHBondContact O-CG 3.43Å; D449-Q483 PolarHBondContact O-NE2 2.81Å; D449-F484 HydrophobicContact CB-CD1 3.85Å; D449-F484 HydrophobicContact CB-CE1 3.9Å; D449-Y487 PolarHBondContact OD1-OH 2.88Å; D449-Y487 PolarHBondContact OD2-OH 2.97Å; D449-Y487 VanDerWaalsContact OD2-OH 3.07Å; D449-R550 VanDerWaalsContact CG-NH1 3.34Å; D449-R550 IonicContact OD1-CZ 2.64Å; D449-R550 VanDerWaalsContact OD1-CZ 3.29Å; D449-R550 IonicContact OD1-NH1 2.92Å; D449-R550 PolarHBondContact OD1-NH1 3.35Å; D449-R550 IonicContact OD1-NH2 3.05Å; D449-R550 PolarHBondContact OD1-NH2 2.84Å; D449-R550 IonicContact OD2-NH1 2.92Å; D449-R550 PolarHBondContact OD2-NH1 2.98Å; D449-R550 VanDerWaalsContact OD2-NH1 3.12Å
450I84.8Confident90.2Very high61 Ų6149.3 Ų49.331%0.31324%0.239SC..  trans-130.3130-178.2-59.4172.4000108.5R448 T452R448-I450 VanDerWaalsContact C-N 3.31Å; R448-I450 HydrophobicContact CB-CD1 3.99Å; R448-I450 HydrophobicContact CB-CG1 4.11Å; R448-I450 PolarHBondContact O-N 3.45Å; R448-I450 VanDerWaalsContact O-N 3.13Å; I450-T452 PolarHBondContact O-N 2.66Å; I450-T452 PolarHBondContact O-OG1 2.95Å; I450-T452 VanDerWaalsContact O-OG1 3.08Å
451A89.2Confident89.9Confident55 Ų5548.9 Ų48.946%0.45524%0.238SC..  trans-64.9127.8174.600000109.9L480 L481 Q483A451-L480 HydrophobicContact CB-CD1 4.42Å; A451-L481 VanDerWaalsContact CA-O 3.29Å; A451-L481 WeakPolarHBondContact CA-O 2.95Å; A451-Q483 HydrophobicContact CB-CB 4.37Å
452T88.9Confident89.1Confident25 Ų2545.6 Ų45.615%0.15321%0.214CC..EExtended strand (participates in β ladder)trans-136.5130-170.5-54.20000111.2A417 E418 I420 I450 L481A417-T452 HydrophobicContact CB-CG2 4.4Å; E418-T452 WeakPolarHBondContact O-CG2 3.14Å; I420-T452 HydrophobicContact CD1-CG2 3.8Å; I420-T452 HydrophobicContact CG1-CG2 4.12Å; I450-T452 PolarHBondContact O-N 2.66Å; I450-T452 PolarHBondContact O-OG1 2.95Å; I450-T452 VanDerWaalsContact O-OG1 3.08Å; T452-L481 PolarHBondContact N-O 2.75Å; T452-L481 VanDerWaalsContact O-CB 3.24Å; T452-L481 WeakPolarHBondContact O-CB 3.27Å; T452-L481 PolarHBondContact O-N 2.92Å
453D90.7Very high88Confident79 Ų7950.8 Ų50.842%0.42224%0.241SC..EExtended strand (participates in β ladder)trans-78.7130.4172.7-66.8-42.7000111.5F455 T478 L480D453-F455 HydrophobicContact CB-CE2 4.01Å; D453-F455 HydrophobicContact CB-CZ 4.02Å; D453-T478 HydrophobicContact CB-CG2 4.33Å; D453-L480 WeakPolarHBondContact OD1-CD1 3.43Å
454I93.1Very high86.4Confident0 Ų052 Ų520%025%0.245CC..EExtended strand (participates in β ladder)trans-107.4109.2173.6-52.5177.7000108L400 L415 A417 I420 L444 I456 T478 Q479 L481L400-I454 HydrophobicContact CD2-CD1 4.45Å; L400-I454 HydrophobicContact CD2-CG2 4.29Å; L415-I454 HydrophobicContact CB-CG2 4.37Å; L415-I454 HydrophobicContact CD2-CG2 4.22Å; A417-I454 HydrophobicContact CB-CB 4.46Å; A417-I454 HydrophobicContact CB-CG1 4.04Å; A417-I454 HydrophobicContact CB-CG2 4.42Å; I420-I454 HydrophobicContact CD1-CD1 4.1Å; I420-I454 HydrophobicContact CD1-CG1 4.07Å; L444-I454 HydrophobicContact CD1-CD1 3.55Å; I454-I456 HydrophobicContact CG2-CG1 4.05Å; I454-T478 WeakPolarHBondContact O-CA 3.13Å; I454-Q479 WeakPolarHBondContact CB-O 3.39Å; I454-Q479 PolarHBondContact N-O 2.77Å; I454-Q479 PolarHBondContact O-N 2.96Å; I454-L481 HydrophobicContact CD1-CB 4.22Å
455F94.4Very high84.6Confident94 Ų9457.9 Ų57.941%0.41227%0.267SS..EExtended strand (participates in β ladder)trans-86.8119.5174.2-55.7-84000109.7L415 F416 D453 T478L415-F455 CarbonylContact C-O 3.45Å; L415-F455 WeakPolarHBondContact CA-O 3.47Å; F416-F455 HydrophobicContact CB-CB 4.23Å; F416-F455 PolarHBondContact N-O 3.06Å; F416-F455 PolarHBondContact O-N 3.39Å; D453-F455 HydrophobicContact CB-CE2 4.01Å; D453-F455 HydrophobicContact CB-CZ 4.02Å; F455-T478 HydrophobicContact CD1-CG2 3.7Å; F455-T478 WeakPolarHBondContact CD1-OG1 2.99Å; F455-T478 HydrophobicContact CE1-CG2 3.66Å; F455-T478 HydrophobicContact CG-CG2 4.49Å; F455-T478 HydrophobicContact CZ-CG2 4.42Å
456I95.1Very high82.8Confident1 Ų154.2 Ų54.21%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-108124.9-173.4-58.3167000108L385 T387 L400 I402 V413 L415 I454 A476 S477 Q479L385-I456 HydrophobicContact CD1-CG2 4.36Å; T387-I456 HydrophobicContact CG2-CD1 3.43Å; T387-I456 VanDerWaalsContact CG2-CD1 3.43Å; L400-I456 HydrophobicContact CD1-CD1 4.47Å; L400-I456 HydrophobicContact CD2-CD1 4.12Å; I402-I456 HydrophobicContact CD1-CD1 4.18Å; I402-I456 HydrophobicContact CD1-CG1 4.44Å; I402-I456 HydrophobicContact CD1-CG2 3.78Å; I402-I456 HydrophobicContact CG1-CD1 4.4Å; I402-I456 HydrophobicContact CG2-CG2 4.3Å; V413-I456 HydrophobicContact CG1-CG2 4.01Å; L415-I456 HydrophobicContact CD2-CB 4.27Å; L415-I456 HydrophobicContact CD2-CD1 4.5Å; L415-I456 HydrophobicContact CD2-CG1 3.66Å; L415-I456 HydrophobicContact CD2-CG2 4.12Å; I454-I456 HydrophobicContact CG2-CG1 4.05Å; I456-A476 CarbonylContact O-C 3.53Å; I456-A476 VanDerWaalsContact O-CA 3.29Å; I456-A476 WeakPolarHBondContact O-CA 3.24Å; I456-S477 WeakPolarHBondContact CA-O 3.42Å; I456-S477 WeakPolarHBondContact CB-O 3.39Å; I456-S477 PolarHBondContact N-O 3.48Å; I456-S477 PolarHBondContact O-N 3.04Å; I456-Q479 HydrophobicContact CD1-CB 4.06Å
457K94.9Very high81.1Confident87 Ų8759.2 Ų59.238%0.37829%0.293SS..EExtended strand (participates in β ladder)trans-121.7108.2174.5-75.6-172.2-175.7178.70109.1V414 F416 L474 L475V414-K457 HydrophobicContact CB-CB 4.35Å; V414-K457 PolarHBondContact N-O 3Å; V414-K457 PolarHBondContact O-N 2.92Å; F416-K457 HydrophobicContact CE2-CD 4.1Å; K457-L474 HydrophobicContact CB-CD1 3.94Å; K457-L474 HydrophobicContact CD-CD2 4.49Å; K457-L474 HydrophobicContact CG-CD1 4.39Å; K457-L475 WeakPolarHBondContact CA-O 3.26Å
458A93.7Very high79.7Confident0 Ų059.3 Ų59.30%030%0.3CS..EExtended strand (participates in β ladder)trans-110136.9179.700000111.2L385 L410 C412 V413 L475L385-A458 HydrophobicContact CD1-CB 3.75Å; L385-A458 HydrophobicContact CD2-CB 3.72Å; L385-A458 HydrophobicContact CG-CB 4.32Å; L410-A458 HydrophobicContact CD1-CB 4.25Å; L410-A458 HydrophobicContact CD2-CB 3.99Å; C412-A458 WeakPolarHBondContact O-CA 3.39Å; V413-A458 HydrophobicContact CG2-CB 3.99Å; A458-L475 PolarHBondContact N-O 3.29Å; A458-L475 PolarHBondContact O-N 3.41Å
459Y92Very high78.4Confident90 Ų9061.8 Ų61.835%0.35332%0.315SS..EExtended strand (participates in β ladder)trans-95.5104.1178.3-70.2-106.5000108.6L410 R411 C412 V414 Y473 L474L410-Y459 CarbonylContact C-O 3.54Å; L410-Y459 WeakPolarHBondContact CA-O 3.38Å; R411-Y459 PolarHBondContact N-O 2.82Å; C412-Y459 HydrophobicContact CB-CD2 4.1Å; C412-Y459 HydrophobicContact CB-CG 4.44Å; C412-Y459 PolarHBondContact O-N 2.83Å; V414-Y459 HydrophobicContact CG2-CE2 4.17Å; Y459-Y473 CarbonylContact C-O 3.55Å; Y459-Y473 WeakPolarHBondContact CA-O 3.41Å; Y459-L474 HydrophobicContact CD2-CD1 4.2Å; Y459-L474 HydrophobicContact CE1-CD1 4.31Å; Y459-L474 HydrophobicContact CE2-CD1 3.86Å
460A89.7Confident77.6Confident0 Ų068.1 Ų68.10%035%0.349CS..EExtended strand (participates in β ladder)trans-82.2137178.200000111.6T408 L410 Y473 L475T408-A460 HydrophobicContact CG2-CB 4Å; L410-A460 HydrophobicContact CD2-CB 4.04Å; A460-Y473 PolarHBondContact N-O 2.77Å; A460-Y473 PolarHBondContact O-N 3.25Å; A460-L475 HydrophobicContact CB-CD1 3.83Å; A460-L475 HydrophobicContact CB-CG 4.18Å
461I85Confident77.2Confident11 Ų1167.7 Ų67.76%0.05635%0.352CS..PPolyproline II helixtrans-87126.6178.8-61.1165.8000108.4L409 R411 Y436 R465 Y472L409-I461 HydrophobicContact CB-CB 4.36Å; L409-I461 HydrophobicContact CB-CD1 4Å; L409-I461 WeakPolarHBondContact O-CB 3.26Å; L409-I461 PolarHBondContact O-N 2.78Å; R411-I461 HydrophobicContact CB-CD1 4.09Å; R411-I461 HydrophobicContact CB-CG1 3.87Å; Y436-I461 HydrophobicContact CD1-CD1 3.76Å; Y436-I461 HydrophobicContact CD2-CD1 3.7Å; Y436-I461 HydrophobicContact CE1-CD1 4.25Å; Y436-I461 HydrophobicContact CE2-CD1 4.21Å; Y436-I461 HydrophobicContact CG-CD1 3.46Å; Y436-I461 VanDerWaalsContact CG-CD1 3.46Å; I461-R465 VanDerWaalsContact CG2-NH2 3.29Å; I461-Y472 HydrophobicContact CG1-CD1 4.13Å; I461-Y472 HydrophobicContact CG1-CE1 4.05Å
462P76.4Confident77Confident6 Ų668.4 Ų68.44%0.03934%0.343CS..PPolyproline II helixtrans-65.3145.8175.525.3-32.1000111.7N377 I379 K464 Y473N377-P462 HydrophobicContact CB-CB 3.8Å; N377-P462 HydrophobicContact CB-CG 3.77Å; I379-P462 HydrophobicContact CG2-CB 4.45Å; P462-K464 PolarHBondContact O-N 3.01Å; P462-Y473 HydrophobicContact CB-CE2 4.49Å
463I68.2Low76.9Confident115 Ų11571.3 Ų71.359%0.5935%0.352SS*.SBendtrans-63.4-30.9-174-62.1165.2000111.5I378 K380I378-I463 PolarHBondContact O-N 3.3Å; K380-I463 HydrophobicContact CG-CD1 4.18Å
464K57.9Low76.9Confident107 Ų10771.9 Ų71.947%0.46535%0.354SS..SBendtrans-118.8125.5170.7-71.7-178.1177.8-178.50108.3N377 P462N377-K464 PolarHBondContact OD1-O 2.92Å; P462-K464 PolarHBondContact O-N 3.01Å
465R54.5Low76.8Confident126 Ų12673 Ų7348%0.47536%0.36SS..  trans-97.4122.8171.8-69.8-178.1178.6-175.1-3.2108.8I461I461-R465 VanDerWaalsContact CG2-NH2 3.29Å
466C51.2Low76.8Confident37 Ų3772.2 Ų72.225%0.2537%0.371CS..  trans-74.8141.3162.6-162.70000109.3N375 N377 D468 Q469N375-C466 HydrophobicContact CB-CB 4.42Å; N377-C466 PolarHBondContact OD1-N 2.58Å; C466-D468 PolarHBondContact O-N 3.04Å; C466-Q469 PolarHBondContact O-N 3.35Å
467S52.9Low76.7Confident114 Ų11473.5 Ų73.580%0.79738%0.38SS*.THydrogen-bonded Turntrans-62.9-9.9-168.347.60000116.1
468D53.7Low76.7Confident147 Ų14773.2 Ų73.279%0.78639%0.386SS*.THydrogen-bonded Turntrans-123.6-0.3-173.7-69.1-37.4000115.4C466C466-D468 PolarHBondContact O-N 3.04Å
469Q54.1Low76.7Confident137 Ų13775.4 Ų75.464%0.6440%0.396SS*.  trans-130.1110.4-178.3-72-163.7-6.700114N377 C466 S471N377-Q469 PolarHBondContact ND2-O 2.84Å; C466-Q469 PolarHBondContact O-N 3.35Å; Q469-S471 PolarHBondContact O-N 3.22Å
470N68.9Low76.7Confident139 Ų13975.6 Ų75.674%0.74340%0.402SS*.  trans-7953.2170.7-84.3-15.5000111.9Y472N470-Y472 HydrophobicContact CB-CE2 4.38Å
471S76.5Confident76.8Confident52 Ų5275.6 Ų75.636%0.36440%0.402SS..  trans-90.6132.2172.951.30000110.9N377 Q469N377-S471 PolarHBondContact ND2-OG 3.19Å; Q469-S471 PolarHBondContact O-N 3.22Å
472Y84.6Confident77.2Confident69 Ų6976 Ų7627%0.27141%0.406SS..  trans-121.2152.4178.5-57.4-80.8000109.5R411 I461 N470R411-Y472 HydrophobicContact CB-CD1 4.01Å; R411-Y472 HydrophobicContact CB-CE1 3.78Å; R411-Y472 HydrophobicContact CG-CD1 4.41Å; R411-Y472 HydrophobicContact CG-CE1 3.85Å; R411-Y472 HydrophobicContact CG-CE2 4.47Å; I461-Y472 HydrophobicContact CG1-CD1 4.13Å; I461-Y472 HydrophobicContact CG1-CE1 4.05Å; N470-Y472 HydrophobicContact CB-CE2 4.38Å
473Y86.7Confident78Confident86 Ų8677.3 Ų77.334%0.33741%0.412SS..EExtended strand (participates in β ladder)trans-87.1130.5172.2-75.8-96.4000109.9N377 I379 Y459 A460 P462N377-Y473 WeakPolarHBondContact O-CE2 3.21Å; N377-Y473 PolarHBondContact O-OH 2.92Å; I379-Y473 HydrophobicContact CB-CD2 4.26Å; I379-Y473 HydrophobicContact CB-CE2 4.39Å; I379-Y473 HydrophobicContact CD1-CD1 3.72Å; I379-Y473 HydrophobicContact CD1-CD2 4.23Å; I379-Y473 HydrophobicContact CD1-CE1 4.31Å; I379-Y473 HydrophobicContact CD1-CG 3.66Å; I379-Y473 HydrophobicContact CG1-CD1 3.87Å; I379-Y473 HydrophobicContact CG1-CD2 3.96Å; I379-Y473 HydrophobicContact CG1-CE1 3.99Å; I379-Y473 HydrophobicContact CG1-CE2 4.07Å; I379-Y473 HydrophobicContact CG1-CG 3.84Å; I379-Y473 HydrophobicContact CG2-CD2 3.4Å; I379-Y473 VanDerWaalsContact CG2-CD2 3.4Å; I379-Y473 HydrophobicContact CG2-CE2 3.8Å; I379-Y473 HydrophobicContact CG2-CG 3.95Å; Y459-Y473 CarbonylContact C-O 3.55Å; Y459-Y473 WeakPolarHBondContact CA-O 3.41Å; A460-Y473 PolarHBondContact N-O 2.77Å; A460-Y473 PolarHBondContact O-N 3.25Å; P462-Y473 HydrophobicContact CB-CE2 4.49Å
474L90.9Very high79.2Confident91 Ų9171.9 Ų71.948%0.47638%0.384SS..EExtended strand (participates in β ladder)trans-89.6107.1175-176.368.6000109.2K457 Y459K457-L474 HydrophobicContact CB-CD1 3.94Å; K457-L474 HydrophobicContact CD-CD2 4.49Å; K457-L474 HydrophobicContact CG-CD1 4.39Å; Y459-L474 HydrophobicContact CD2-CD1 4.2Å; Y459-L474 HydrophobicContact CE1-CD1 4.31Å; Y459-L474 HydrophobicContact CE2-CD1 3.86Å
475L92.4Very high80.7Confident25 Ų2566.8 Ų66.813%0.13136%0.362CS..EExtended strand (participates in β ladder)trans-91.5133.9169.6-58.6174.4000108.7I379 T383 L385 T404 K457 A458 A460I379-L475 HydrophobicContact CD1-CD2 4.44Å; T383-L475 HydrophobicContact CG2-CD1 3.83Å; L385-L475 HydrophobicContact CD1-CB 3.57Å; L385-L475 WeakPolarHBondContact CD1-O 3.2Å; L385-L475 HydrophobicContact CD2-CB 4.44Å; L385-L475 HydrophobicContact CD2-CD1 4.29Å; L385-L475 HydrophobicContact CG-CB 3.7Å; L385-L475 HydrophobicContact CG-CD1 4.12Å; T404-L475 HydrophobicContact CG2-CD1 4.47Å; K457-L475 WeakPolarHBondContact CA-O 3.26Å; A458-L475 PolarHBondContact N-O 3.29Å; A458-L475 PolarHBondContact O-N 3.41Å; A460-L475 HydrophobicContact CB-CD1 3.83Å; A460-L475 HydrophobicContact CB-CG 4.18Å
476A93.5Very high82.4Confident77 Ų7761.1 Ų61.164%0.63634%0.341SS*.EExtended strand (participates in β ladder)trans-119.9137.7178.300000110.5I456I456-A476 CarbonylContact O-C 3.53Å; I456-A476 VanDerWaalsContact O-CA 3.29Å; I456-A476 WeakPolarHBondContact O-CA 3.24Å
477S93.8Very high84.3Confident28 Ų2859.3 Ų59.320%0.19633%0.329CS..EExtended strand (participates in β ladder)trans-141.7154.7172-178.50000109.3I456I456-S477 WeakPolarHBondContact CA-O 3.42Å; I456-S477 WeakPolarHBondContact CB-O 3.39Å; I456-S477 PolarHBondContact N-O 3.48Å; I456-S477 PolarHBondContact O-N 3.04Å
478T94Very high86.1Confident80 Ų8055.8 Ų55.849%0.49130%0.298SS..EExtended strand (participates in β ladder)trans-123.5126.6175.8-52.30000108.4D453 I454 F455D453-T478 HydrophobicContact CB-CG2 4.33Å; I454-T478 WeakPolarHBondContact O-CA 3.13Å; F455-T478 HydrophobicContact CD1-CG2 3.7Å; F455-T478 WeakPolarHBondContact CD1-OG1 2.99Å; F455-T478 HydrophobicContact CE1-CG2 3.66Å; F455-T478 HydrophobicContact CG-CG2 4.49Å; F455-T478 HydrophobicContact CZ-CG2 4.42Å
479Q93.1Very high87.8Confident46 Ų4650.5 Ų50.522%0.21527%0.269CS..EExtended strand (participates in β ladder)trans-118.5120.2179.1-177.365.44700109.3T387 L389 L400 I454 I456T387-Q479 PolarHBondContact OG1-OE1 2.95Å; L389-Q479 HydrophobicContact CD1-CG 3.72Å; L389-Q479 HydrophobicContact CG-CG 4Å; L400-Q479 HydrophobicContact CD1-CG 4.39Å; I454-Q479 WeakPolarHBondContact CB-O 3.39Å; I454-Q479 PolarHBondContact N-O 2.77Å; I454-Q479 PolarHBondContact O-N 2.96Å; I456-Q479 HydrophobicContact CD1-CB 4.06Å
480L93.1Very high89.4Confident94 Ų9446.7 Ų46.749%0.49225%0.253SS..EExtended strand (participates in β ladder)trans-76.3126.3171.2179.967.6000109.3A451 D453A451-L480 HydrophobicContact CB-CD1 4.42Å; D453-L480 WeakPolarHBondContact OD1-CD1 3.43Å
481L92.5Very high90.1Very high0 Ų041 Ų410%022%0.224CC..EExtended strand (participates in β ladder)trans-89.2120.2167.8-17071.5000108.7L389 V398 I420 P446 A451 T452 I454 C485 I529L389-L481 HydrophobicContact CD1-CD1 3.98Å; L389-L481 HydrophobicContact CD2-CD1 4.11Å; V398-L481 HydrophobicContact CG1-CD1 4.23Å; I420-L481 HydrophobicContact CD1-CD2 3.69Å; P446-L481 HydrophobicContact CB-CD2 4.33Å; P446-L481 HydrophobicContact CG-CD2 3.54Å; A451-L481 VanDerWaalsContact CA-O 3.29Å; A451-L481 WeakPolarHBondContact CA-O 2.95Å; T452-L481 PolarHBondContact N-O 2.75Å; T452-L481 VanDerWaalsContact O-CB 3.24Å; T452-L481 WeakPolarHBondContact O-CB 3.27Å; T452-L481 PolarHBondContact O-N 2.92Å; I454-L481 HydrophobicContact CD1-CB 4.22Å; L481-C485 HydrophobicContact CD1-CB 3.83Å; L481-C485 HydrophobicContact CD2-CB 4.38Å; L481-C485 HydrophobicContact CG-CB 3.89Å; L481-I529 HydrophobicContact CD1-CD1 4.06Å
482P93.2Very high90.3Very high20 Ų2040.7 Ų40.713%0.1322%0.217CC..PPolyproline II helixtrans-62.2158.4179.8-22.533.1000113.1F484 C485 N527 I529P482-F484 PolarHBondContact O-N 2.93Å; P482-C485 WeakPolarHBondContact O-CB 3.36Å; P482-N527 WeakPolarHBondContact CB-O 3.24Å; P482-I529 HydrophobicContact CG-CG1 4.03Å
483Q91.7Very high89.8Confident34 Ų3442 Ų4216%0.15923%0.229CC..THydrogen-bonded Turntrans-56.8-46.6-177.4-169.9178.64.300112.5D449 A451 S603D449-Q483 CarbonylContact C-O 3.58Å; D449-Q483 WeakPolarHBondContact CA-O 3.31Å; D449-Q483 HydrophobicContact CB-CG 4.43Å; D449-Q483 WeakPolarHBondContact CB-O 3.48Å; D449-Q483 WeakPolarHBondContact O-CG 3.43Å; D449-Q483 PolarHBondContact O-NE2 2.81Å; A451-Q483 HydrophobicContact CB-CB 4.37Å; Q483-S603 PolarHBondContact OE1-OG 2.82Å; Q483-S603 VanDerWaalsContact OE1-OG 3.06Å
484F93.2Very high88.6Confident0 Ų041 Ų410%023%0.232CC..BIsolated β-bridgetrans-106.261.5-177-54.9-71.8000110.3D449 P482 Y487 W523 N527 F528 L596 N599 L600D449-F484 HydrophobicContact CB-CD1 3.85Å; D449-F484 HydrophobicContact CB-CE1 3.9Å; P482-F484 PolarHBondContact O-N 2.93Å; F484-Y487 HydrophobicContact CB-CD2 3.62Å; F484-Y487 HydrophobicContact CB-CE2 3.83Å; F484-Y487 AromaticContact CD1-CE2 3.96Å; F484-Y487 HydrophobicContact CD1-CE2 3.96Å; F484-Y487 HydrophobicContact CG-CE2 4.39Å; F484-W523 HydrophobicContact CD2-CH2 4.36Å; F484-W523 HydrophobicContact CD2-CZ2 4.37Å; F484-W523 AromaticContact CE2-CH2 3.99Å; F484-W523 HydrophobicContact CE2-CH2 3.99Å; F484-W523 AromaticContact CE2-CZ2 3.76Å; F484-W523 HydrophobicContact CE2-CZ2 3.76Å; F484-N527 WeakPolarHBondContact CA-O 3.3Å; F484-N527 HydrophobicContact CD2-CB 3.95Å; F484-N527 HydrophobicContact CE2-CB 4.49Å; F484-N527 PolarHBondContact N-O 3.17Å; F484-F528 HydrophobicContact CB-CD1 3.75Å; F484-F528 HydrophobicContact CB-CD2 4.09Å; F484-F528 HydrophobicContact CB-CE1 3.43Å; F484-F528 VanDerWaalsContact CB-CE1 3.43Å; F484-F528 HydrophobicContact CB-CE2 3.78Å; F484-F528 HydrophobicContact CB-CG 4.07Å; F484-F528 HydrophobicContact CB-CZ 3.44Å; F484-F528 VanDerWaalsContact CB-CZ 3.44Å; F484-F528 HydrophobicContact CD2-CD2 4.39Å; F484-F528 AromaticContact CD2-CE2 3.74Å; F484-F528 HydrophobicContact CD2-CE2 3.74Å; F484-F528 AromaticContact CD2-CZ 3.96Å; F484-F528 HydrophobicContact CD2-CZ 3.96Å; F484-F528 HydrophobicContact CG-CE1 4.23Å; F484-F528 AromaticContact CG-CE2 3.99Å; F484-F528 HydrophobicContact CG-CE2 3.99Å; F484-F528 AromaticContact CG-CZ 3.76Å; F484-F528 HydrophobicContact CG-CZ 3.76Å; F484-F528 WeakPolarHBondContact O-CD1 3.39Å; F484-L596 HydrophobicContact CD1-CD1 4.11Å; F484-L596 HydrophobicContact CE1-CD1 4.13Å; F484-N599 HydrophobicContact CE1-CB 4.03Å; F484-N599 HydrophobicContact CZ-CB 4.28Å; F484-L600 HydrophobicContact CD1-CD2 4.05Å; F484-L600 HydrophobicContact CD2-CD2 4.07Å; F484-L600 HydrophobicContact CE1-CD2 3.78Å; F484-L600 HydrophobicContact CE1-CG 4.19Å; F484-L600 HydrophobicContact CE2-CD2 3.83Å; F484-L600 HydrophobicContact CG-CD2 4.2Å; F484-L600 HydrophobicContact CZ-CD2 3.67Å; F484-L600 HydrophobicContact CZ-CG 4.25Å
485C91.2Very high87Confident1 Ų145.8 Ų45.81%0.00725%0.249CC..THydrogen-bonded Turntrans-80.9-23.1-174.754.80000115.2V398 L481 P482 Y487 I529V398-C485 HydrophobicContact CG2-CB 4.18Å; V398-C485 VanDerWaalsContact CG2-O 3.26Å; V398-C485 WeakPolarHBondContact CG2-O 3.37Å; L481-C485 HydrophobicContact CD1-CB 3.83Å; L481-C485 HydrophobicContact CD2-CB 4.38Å; L481-C485 HydrophobicContact CG-CB 3.89Å; P482-C485 WeakPolarHBondContact O-CB 3.36Å; C485-Y487 VanDerWaalsContact C-N 3.32Å; C485-Y487 PolarHBondContact O-N 2.78Å; C485-I529 HydrophobicContact CB-CD1 3.61Å; C485-I529 HydrophobicContact CB-CG1 4.21Å
486L90.2Very high85.2Confident6 Ų649.2 Ų49.23%0.03127%0.267CS..THydrogen-bonded Turntrans-95.734.9-177-82.6170.5000113.5V398 P446 L549V398-L486 HydrophobicContact CG2-CD2 3.96Å; V398-L486 HydrophobicContact CG2-CG 4.27Å; P446-L486 HydrophobicContact CB-CD1 4.14Å; P446-L486 HydrophobicContact CG-CD1 4.35Å; P446-L486 WeakPolarHBondContact O-CD1 3.49Å; L486-L549 HydrophobicContact CD2-CB 4.3Å; L486-L549 WeakPolarHBondContact O-CB 3.39Å; L486-L549 PolarHBondContact O-N 3.45Å
487Y90.9Very high83.4Confident0 Ų052 Ų520%027%0.272CS..EExtended strand (participates in β ladder)trans-124.3121.7178.8-60.1-83.2000109.6D449 F484 C485 F528 E547 E548 L577 L596D449-Y487 PolarHBondContact OD1-OH 2.88Å; D449-Y487 PolarHBondContact OD2-OH 2.97Å; D449-Y487 VanDerWaalsContact OD2-OH 3.07Å; F484-Y487 HydrophobicContact CB-CD2 3.62Å; F484-Y487 HydrophobicContact CB-CE2 3.83Å; F484-Y487 AromaticContact CD1-CE2 3.96Å; F484-Y487 HydrophobicContact CD1-CE2 3.96Å; F484-Y487 HydrophobicContact CG-CE2 4.39Å; C485-Y487 VanDerWaalsContact C-N 3.32Å; C485-Y487 PolarHBondContact O-N 2.78Å; Y487-F528 HydrophobicContact CD2-CD1 4.35Å; Y487-F528 AromaticContact CD2-CE1 3.85Å; Y487-F528 HydrophobicContact CD2-CE1 3.85Å; Y487-F528 HydrophobicContact CG-CD1 4.37Å; Y487-F528 AromaticContact CG-CE1 3.84Å; Y487-F528 HydrophobicContact CG-CE1 3.84Å; Y487-E547 WeakPolarHBondContact CA-O 3.41Å; Y487-E548 HydrophobicContact CD1-CB 4.11Å; Y487-E548 HydrophobicContact CD1-CG 4.4Å; Y487-E548 HydrophobicContact CE1-CB 3.88Å; Y487-E548 HydrophobicContact CE1-CG 3.76Å; Y487-L577 HydrophobicContact CD1-CD2 4.26Å; Y487-L596 HydrophobicContact CD1-CD2 4.48Å; Y487-L596 HydrophobicContact CE1-CD1 4Å; Y487-L596 HydrophobicContact CE1-CD2 3.49Å; Y487-L596 VanDerWaalsContact CE1-CD2 3.49Å; Y487-L596 HydrophobicContact CE1-CG 4.38Å; Y487-L596 HydrophobicContact CE2-CD1 4.21Å; Y487-L596 WeakPolarHBondContact OH-CD1 3.43Å
488R89.3Confident81.6Confident39 Ų3953.1 Ų53.115%0.14727%0.273CS..EExtended strand (participates in β ladder)trans-94.4124.5-178.3-169.2-174.2-62.1149.3-8110V391 S392 P393 K395 L490 F546 E547 L549V391-R488 HydrophobicContact CG1-CB 3.94Å; V391-R488 HydrophobicContact CG1-CG 4.07Å; S392-R488 VanDerWaalsContact O-CZ 3.24Å; S392-R488 PolarHBondContact O-NE 2.91Å; S392-R488 VanDerWaalsContact O-NE 3.15Å; S392-R488 PolarHBondContact O-NH2 2.82Å; P393-R488 PolarHBondContact O-NH1 2.91Å; P393-R488 PolarHBondContact O-NH2 2.85Å; K395-R488 PolarHBondContact O-NH2 2.65Å; R488-L490 PolarHBondContact O-N 2.89Å; R488-F546 CarbonylContact O-C 3.48Å; R488-F546 WeakPolarHBondContact O-CA 3.28Å; R488-E547 HydrophobicContact CB-CB 4.28Å; R488-E547 IonicContact CZ-OE2 3.8Å; R488-E547 PolarHBondContact N-O 3.22Å; R488-E547 IonicContact NH1-OE2 2.65Å; R488-E547 PolarHBondContact NH1-OE2 3.45Å; R488-E547 PolarHBondContact O-N 2.75Å; R488-L549 HydrophobicContact CB-CD1 4.29Å; R488-L549 HydrophobicContact CB-CD2 4.36Å; R488-L549 HydrophobicContact CB-CG 4.41Å
489L90.3Very high79.8Confident36 Ų3659 Ų5919%0.18829%0.286CS..EExtended strand (participates in β ladder)trans-68.7124.6174.9-17769.7000110.1Q492 L530 I534 V544 F546L489-Q492 HydrophobicContact CD1-CG 4.42Å; L489-Q492 HydrophobicContact CD2-CG 4.08Å; L489-L530 HydrophobicContact CB-CD2 4.17Å; L489-L530 HydrophobicContact CD2-CD2 4.28Å; L489-I534 HydrophobicContact CD1-CD1 4.47Å; L489-I534 HydrophobicContact CD2-CG1 4.31Å; L489-V544 HydrophobicContact CD1-CB 4.26Å; L489-V544 HydrophobicContact CD1-CG1 4.31Å; L489-F546 HydrophobicContact CB-CD1 4.11Å; L489-F546 HydrophobicContact CB-CE1 3.95Å; L489-F546 HydrophobicContact CD1-CD1 4.12Å; L489-F546 HydrophobicContact CD1-CE1 3.71Å; L489-F546 HydrophobicContact CD1-CZ 3.94Å; L489-F546 HydrophobicContact CG-CE1 4.43Å
490L86.5Confident77.9Confident58 Ų5860.6 Ų60.630%0.30431%0.307SS..EExtended strand (participates in β ladder)trans-103.4-41.3178.6-66.8179.8000112.9R488 F498 V545 E547 L576R488-L490 PolarHBondContact O-N 2.89Å; L490-F498 HydrophobicContact CB-CE2 4.29Å; L490-F498 HydrophobicContact CD1-CE2 4.4Å; L490-F498 HydrophobicContact CD1-CZ 4.04Å; L490-V545 HydrophobicContact CB-CG1 4.49Å; L490-V545 HydrophobicContact CD1-CG1 4.4Å; L490-V545 PolarHBondContact N-O 3.05Å; L490-E547 HydrophobicContact CD1-CB 3.92Å; L490-E547 HydrophobicContact CD2-CB 4.3Å; L490-E547 HydrophobicContact CG-CB 4.07Å; L490-L576 HydrophobicContact CD1-CD2 3.47Å; L490-L576 VanDerWaalsContact CD1-CD2 3.47Å
491S83.9Confident76.3Confident18 Ų1859.6 Ų59.613%0.12630%0.302CS..EExtended strand (participates in β ladder)trans-157.6145.4-176.4-177.50000111.7N493 V544 V545S491-N493 PolarHBondContact OG-N 2.73Å; S491-N493 VanDerWaalsContact OG-N 3.1Å; S491-N493 PolarHBondContact OG-O 2.83Å; S491-V544 WeakPolarHBondContact O-CA 3.47Å; S491-V545 PolarHBondContact N-O 3.2Å; S491-V545 PolarHBondContact O-N 3.16Å
492Q82.1Confident74.6Confident47 Ų4760.9 Ų60.922%0.2231%0.309CS..  trans-107.9-2.6168.3-53.6-172.721.800112.2L489 E533 F543 V544L489-Q492 HydrophobicContact CD1-CG 4.42Å; L489-Q492 HydrophobicContact CD2-CG 4.08Å; Q492-E533 PolarHBondContact NE2-O 2.92Å; Q492-F543 CarbonylContact C-O 3.57Å; Q492-F543 VanDerWaalsContact CA-O 3.3Å; Q492-F543 WeakPolarHBondContact CA-O 3.42Å; Q492-V544 HydrophobicContact CG-CG1 4.31Å
493N72.7Confident73Confident96 Ų9665.8 Ų65.851%0.51333%0.334SS..  trans-101122.1-172-87.4-39.1000111.7S491 K495 L496 F543S491-N493 PolarHBondContact OG-N 2.73Å; S491-N493 VanDerWaalsContact OG-N 3.1Å; S491-N493 PolarHBondContact OG-O 2.83Å; N493-K495 PolarHBondContact O-N 2.74Å; N493-K495 VanDerWaalsContact O-N 3.16Å; N493-L496 HydrophobicContact CB-CB 4.44Å; N493-F543 WeakPolarHBondContact O-CE1 3.46Å
494P61.7Low71.7Confident64 Ų6468 Ų6842%0.41635%0.353SS..THydrogen-bonded Turntrans-68.3-16.9-179.226.2-33.3000113.3F543P494-F543 HydrophobicContact CB-CB 4.18Å; P494-F543 HydrophobicContact CB-CD1 4.14Å; P494-F543 HydrophobicContact CB-CD2 4.05Å; P494-F543 HydrophobicContact CB-CG 3.86Å
495K57.8Low70.5Confident192 Ų19268.7 Ų68.784%0.83536%0.358SS*.THydrogen-bonded Turntrans-94.3-9.4-173.1-67-176.8-179.8176.20114.4N493N493-K495 PolarHBondContact O-N 2.74Å; N493-K495 VanDerWaalsContact O-N 3.16Å
496L54.9Low69.7Low97 Ų9778 Ų7851%0.50839%0.393SS..SBendtrans-130.1122-164.4-75.5159.2000112.8N493N493-L496 HydrophobicContact CB-CB 4.44Å
497N54.6Low69.3Low137 Ų13778.1 Ų78.173%0.73339%0.394SS*.SBendtrans92.6-19.5152.4-55.9-14.9000121.2
498F57.4Low69Low50 Ų5078.6 Ų78.622%0.21940%0.399CS..  trans-12818-175.8-66.2-79.6000115.3L490 A500 D501 L502 L576 Y578L490-F498 HydrophobicContact CB-CE2 4.29Å; L490-F498 HydrophobicContact CD1-CE2 4.4Å; L490-F498 HydrophobicContact CD1-CZ 4.04Å; F498-A500 VanDerWaalsContact C-N 3.29Å; F498-A500 PolarHBondContact O-N 2.86Å; F498-D501 PolarHBondContact O-N 2.86Å; F498-D501 VanDerWaalsContact O-N 3.09Å; F498-L502 HydrophobicContact CB-CD1 4.48Å; F498-L502 WeakPolarHBondContact O-CB 3.46Å; F498-L502 PolarHBondContact O-N 3.18Å; F498-L576 HydrophobicContact CD1-CD1 4.19Å; F498-Y578 HydrophobicContact CB-CE1 4.46Å
499R55Low69.1Low204 Ų20476.9 Ų76.977%0.7739%0.393SS*.Hα-helixtrans-60.1-37.1-172.6-148.3177.5-174176.21.1113.2L502 D503R499-L502 WeakPolarHBondContact O-CB 3.42Å; R499-L502 PolarHBondContact O-N 3.09Å; R499-D503 PolarHBondContact O-N 2.82Å
500A53.8Low69.1Low79 Ų7978.9 Ų78.965%0.65340%0.4SS*.Hα-helixtrans-66.6-40.4175.900000112.5F498 L502 D503 S504F498-A500 VanDerWaalsContact C-N 3.29Å; F498-A500 PolarHBondContact O-N 2.86Å; A500-L502 VanDerWaalsContact C-N 3.32Å; A500-D503 PolarHBondContact O-N 2.9Å; A500-S504 PolarHBondContact O-N 3.33Å
501D58.9Low69.4Low73 Ų7376.2 Ų76.239%0.3939%0.386SS..Hα-helixtrans-74.1-24.8176.5-59.4-32.6000112.1F498 S504 V505 L576F498-D501 PolarHBondContact O-N 2.86Å; F498-D501 VanDerWaalsContact O-N 3.09Å; D501-S504 PolarHBondContact O-N 2.85Å; D501-S504 PolarHBondContact O-OG 2.76Å; D501-V505 WeakPolarHBondContact O-CG2 3.35Å; D501-V505 PolarHBondContact O-N 2.78Å; D501-L576 HydrophobicContact CB-CD1 3.93Å
502L57Low69.6Low27 Ų2778.4 Ų78.414%0.14140%0.399CS..Hα-helixtrans-70.6-31.8174-107.2140.9000113.5F498 R499 A500 F543 Y578 K590F498-L502 HydrophobicContact CB-CD1 4.48Å; F498-L502 WeakPolarHBondContact O-CB 3.46Å; F498-L502 PolarHBondContact O-N 3.18Å; R499-L502 WeakPolarHBondContact O-CB 3.42Å; R499-L502 PolarHBondContact O-N 3.09Å; A500-L502 VanDerWaalsContact C-N 3.32Å; L502-F543 HydrophobicContact CD1-CE2 4.28Å; L502-F543 HydrophobicContact CD1-CZ 3.88Å; L502-Y578 HydrophobicContact CD1-CD1 3.77Å; L502-Y578 HydrophobicContact CD1-CE1 3.53Å; L502-Y578 HydrophobicContact CD2-CD1 3.78Å; L502-Y578 HydrophobicContact CD2-CD2 4.47Å; L502-Y578 HydrophobicContact CD2-CE1 4.09Å; L502-Y578 HydrophobicContact CD2-CG 3.98Å; L502-Y578 HydrophobicContact CG-CD1 3.62Å; L502-Y578 HydrophobicContact CG-CE1 3.39Å; L502-Y578 HydrophobicContact CG-CE2 4.31Å; L502-Y578 HydrophobicContact CG-CG 4.19Å; L502-K590 HydrophobicContact CD2-CD 4.12Å; L502-K590 PolarHBondContact O-NZ 3.34Å
503D59.8Low69.8Low123 Ų12376.5 Ų76.566%0.65839%0.39SS*.Hα-helixtrans-82.4-22.4176.7-69.6-23.7000111.4R499 A500R499-D503 PolarHBondContact O-N 2.82Å; A500-D503 PolarHBondContact O-N 2.9Å
504S64.7Low70.5Confident80 Ų8080.7 Ų80.756%0.55941%0.406SS*.Hα-helixtrans-76.3-33.6175.476.10000112.5A500 D501 R506A500-S504 PolarHBondContact O-N 3.33Å; D501-S504 PolarHBondContact O-N 2.85Å; D501-S504 PolarHBondContact O-OG 2.76Å; S504-R506 PolarHBondContact O-N 3.14Å
505V67.8Low71.7Confident15 Ų1580.5 Ų80.59%0.09140%0.4CS..  trans-78.191.7175.3-175.80000110D501 S507 Y578 K590 E592D501-V505 WeakPolarHBondContact O-CG2 3.35Å; D501-V505 PolarHBondContact O-N 2.78Å; V505-S507 VanDerWaalsContact C-N 3.31Å; V505-S507 WeakPolarHBondContact CG1-O 3.29Å; V505-Y578 HydrophobicContact CB-CE2 4.4Å; V505-Y578 HydrophobicContact CG2-CE2 4.06Å; V505-K590 HydrophobicContact CG1-CB 4.12Å; V505-E592 HydrophobicContact CG1-CG 4.43Å
506R73.6Confident73.1Confident197 Ų19780.2 Ų80.274%0.74339%0.394SS*.  trans-73.8-23.2171-66.6-171.4179.9-174.80.5113.1S504 P620S504-R506 PolarHBondContact O-N 3.14Å; R506-P620 HydrophobicContact CB-CG 4.29Å
507S82.4Confident74.7Confident8 Ų876 Ų766%0.05637%0.372CS..  trans-80.1130.2-174.1-60.80000112.1V505 K590 T591 D618V505-S507 VanDerWaalsContact C-N 3.31Å; V505-S507 WeakPolarHBondContact CG1-O 3.29Å; S507-K590 WeakPolarHBondContact O-CA 3.33Å; S507-T591 CarbonylContact C-O 3.49Å; S507-T591 WeakPolarHBondContact CB-O 3.48Å; S507-T591 PolarHBondContact O-N 3.13Å; S507-T591 VanDerWaalsContact O-O 3.11Å; S507-D618 CarbonylContact C-O 3.01Å; S507-D618 WeakPolarHBondContact CA-O 3.25Å
508G85.5Confident76.5Confident11 Ų1173.5 Ų73.511%0.11336%0.356CS..EExtended strand (participates in β ladder)trans178.7176.4-179.300000115I589 C617 D618G508-I589 CarbonylContact C-O 3.59Å; G508-I589 WeakPolarHBondContact CA-O 3.41Å; G508-C617 WeakPolarHBondContact O-CA 3.39Å; G508-D618 PolarHBondContact N-O 2.78Å; G508-D618 PolarHBondContact O-N 2.5Å
509V90.9Very high78.1Confident2 Ų275.5 Ų75.51%0.01236%0.362CS..EExtended strand (participates in β ladder)trans-131.4137.7-176.6-174.30000108.8F511 T588 I589 A597 V601 T616 C617 F619 L718V509-F511 HydrophobicContact CG1-CD1 4.18Å; V509-T588 WeakPolarHBondContact O-CA 2.87Å; V509-I589 PolarHBondContact N-O 2.83Å; V509-I589 PolarHBondContact O-N 3.05Å; V509-A597 HydrophobicContact CG2-CB 3.95Å; V509-V601 HydrophobicContact CG1-CG2 4.31Å; V509-T616 CarbonylContact C-O 3.6Å; V509-T616 WeakPolarHBondContact CA-O 3.31Å; V509-C617 HydrophobicContact CG2-CB 4.07Å; V509-F619 HydrophobicContact CG2-CE2 3.71Å; V509-F619 HydrophobicContact CG2-CZ 3.96Å; V509-L718 HydrophobicContact CG1-CD2 4.23Å; V509-L718 HydrophobicContact CG2-CD1 3.99Å; V509-L718 HydrophobicContact CG2-CD2 3.69Å; V509-L718 HydrophobicContact CG2-CG 4.48Å
510F90.8Very high79.8Confident78 Ų7865.8 Ų65.834%0.34233%0.325SS..EExtended strand (participates in β ladder)trans-125.2135.7176.4170.6-88.9000109.8V512 E586 I587 S615 T616F510-V512 HydrophobicContact CE1-CG2 3.96Å; F510-V512 HydrophobicContact CZ-CG2 3.9Å; F510-E586 HydrophobicContact CE2-CB 3.83Å; F510-E586 HydrophobicContact CE2-CG 4.32Å; F510-E586 HydrophobicContact CZ-CB 4.14Å; F510-E586 HydrophobicContact CZ-CG 4.18Å; F510-I587 WeakPolarHBondContact CA-O 3.49Å; F510-S615 CarbonylContact O-C 3.48Å; F510-S615 WeakPolarHBondContact O-CA 3.42Å; F510-T616 WeakPolarHBondContact CD1-OG1 2.93Å; F510-T616 PolarHBondContact N-O 2.87Å; F510-T616 PolarHBondContact O-N 2.69Å; F510-T616 PolarHBondContact O-OG1 3.5Å
511F91.6Very high81.6Confident2 Ų262.3 Ų62.31%0.00930%0.297CS..EExtended strand (participates in β ladder)trans-154.8162.8174.257.9-84.9000110.1V509 V513 I587 I589 V601 I604 L613 S614V509-F511 HydrophobicContact CG1-CD1 4.18Å; F511-V513 HydrophobicContact CD2-CG2 3.63Å; F511-V513 HydrophobicContact CE2-CG2 3.65Å; F511-I587 HydrophobicContact CD2-CB 4.21Å; F511-I587 HydrophobicContact CD2-CD1 4.48Å; F511-I587 HydrophobicContact CE1-CB 4.19Å; F511-I587 HydrophobicContact CE1-CG2 3.85Å; F511-I587 HydrophobicContact CE2-CB 3.84Å; F511-I587 HydrophobicContact CE2-CD1 3.69Å; F511-I587 HydrophobicContact CE2-CG1 4.28Å; F511-I587 HydrophobicContact CE2-CG2 4.08Å; F511-I587 HydrophobicContact CZ-CB 3.83Å; F511-I587 HydrophobicContact CZ-CD1 4.11Å; F511-I587 HydrophobicContact CZ-CG2 3.54Å; F511-I587 PolarHBondContact N-O 3.45Å; F511-I587 PolarHBondContact O-N 2.99Å; F511-I589 HydrophobicContact CE1-CD1 3.89Å; F511-I589 HydrophobicContact CE1-CG1 4.28Å; F511-I589 HydrophobicContact CZ-CD1 4.23Å; F511-V601 HydrophobicContact CD1-CG2 4.3Å; F511-V601 HydrophobicContact CE1-CG2 3.74Å; F511-V601 HydrophobicContact CZ-CG2 4.32Å; F511-I604 HydrophobicContact CE2-CG2 4.31Å; F511-I604 HydrophobicContact CZ-CD1 4.26Å; F511-I604 HydrophobicContact CZ-CG2 4.43Å; F511-L613 HydrophobicContact CB-CD1 4.23Å; F511-L613 HydrophobicContact CB-CD2 4.29Å; F511-L613 HydrophobicContact CB-CG 4.31Å; F511-L613 HydrophobicContact CD2-CD1 3.85Å; F511-L613 HydrophobicContact CD2-CD2 3.68Å; F511-L613 HydrophobicContact CD2-CG 4.25Å; F511-L613 HydrophobicContact CE2-CD2 4.08Å; F511-L613 HydrophobicContact CG-CD1 4.42Å; F511-L613 HydrophobicContact CG-CD2 3.99Å; F511-L613 HydrophobicContact CG-CG 4.5Å; F511-S614 WeakPolarHBondContact CB-O 3.14Å
512V89.1Confident83.2Confident65 Ų6563 Ų6339%0.39430%0.299SS..EExtended strand (participates in β ladder)trans-116.4132.7-177.7-1750000109.5F510 E586F510-V512 HydrophobicContact CE1-CG2 3.96Å; F510-V512 HydrophobicContact CZ-CG2 3.9Å; V512-E586 HydrophobicContact CG2-CG 4.11Å
513V87Confident85Confident6 Ų661.8 Ų61.84%0.03629%0.293CS..  trans-127.1133176.6-174.10000109.4F511 E515 G585 I587 F608 I610 L613F511-V513 HydrophobicContact CD2-CG2 3.63Å; F511-V513 HydrophobicContact CE2-CG2 3.65Å; V513-E515 HydrophobicContact CG1-CB 3.88Å; V513-E515 HydrophobicContact CG1-CG 4.12Å; V513-E515 PolarHBondContact O-N 3.37Å; V513-G585 PolarHBondContact N-O 3.4Å; V513-G585 CarbonylContact O-C 3.59Å; V513-G585 VanDerWaalsContact O-CA 3.22Å; V513-G585 WeakPolarHBondContact O-CA 3.04Å; V513-G585 VanDerWaalsContact O-O 3.14Å; V513-I587 HydrophobicContact CB-CD1 4.29Å; V513-I587 HydrophobicContact CG2-CD1 3.83Å; V513-F608 HydrophobicContact CG1-CD2 3.89Å; V513-F608 HydrophobicContact CG1-CE2 4.32Å; V513-I610 HydrophobicContact CB-CD1 4.37Å; V513-I610 HydrophobicContact CG1-CD1 3.52Å; V513-I610 HydrophobicContact CG2-CD1 3.94Å; V513-L613 HydrophobicContact CG2-CD1 4.23Å
514H85.7Confident86.6Confident184 Ų18455.9 Ų55.985%0.85226%0.261SS*.SBendtrans-79.550.8176.8-61.6-59.9000112.8
515E86.9Confident87.9Confident61 Ų6154.5 Ų54.529%0.28525%0.248SC..SBendtrans-128.8162.5-178.8-86.1-65.1-177.900113.7V513 R519 M581 F608V513-E515 HydrophobicContact CG1-CB 3.88Å; V513-E515 HydrophobicContact CG1-CG 4.12Å; V513-E515 PolarHBondContact O-N 3.37Å; E515-R519 IonicContact OE1-CZ 2.89Å; E515-R519 IonicContact OE1-NH1 2.64Å; E515-R519 PolarHBondContact OE1-NH1 2.7Å; E515-R519 WeakPolarHBondContact OE2-CD 3.27Å; E515-R519 IonicContact OE2-NH1 2.59Å; E515-M581 WeakPolarHBondContact O-CE 3.36Å; E515-F608 HydrophobicContact CG-CD1 4.21Å; E515-F608 HydrophobicContact CG-CG 4.35Å
516R87.4Confident89.1Confident186 Ų18659.3 Ų59.370%0.70227%0.269SS*.  trans-79.6137.8-179.9-64.9-174.2-177.1168.12111.5Q518 R519R516-Q518 PolarHBondContact O-N 3.04Å; R516-R519 PolarHBondContact O-N 2.65Å
517P89.2Confident90.1Very high7 Ų751.3 Ų51.35%0.04524%0.241CC..Hα-helixtrans-54.9-27.6176.7-29.337.6000115R519 L520 A521 V536 S540 M581P517-R519 VanDerWaalsContact C-N 3.28Å; P517-R519 PolarHBondContact O-N 2.84Å; P517-L520 PolarHBondContact O-N 3.03Å; P517-A521 PolarHBondContact O-N 3.13Å; P517-V536 HydrophobicContact CB-CG1 4.05Å; P517-V536 HydrophobicContact CB-CG2 4.19Å; P517-S540 WeakPolarHBondContact CG-O 3.42Å; P517-M581 HydrophobicContact CB-CG 4.43Å; P517-M581 HydrophobicContact CB-SD 4.1Å; P517-M581 HydrophobicContact CG-CE 4.17Å; P517-M581 HydrophobicContact CG-CG 4.18Å; P517-M581 HydrophobicContact CG-SD 4.13Å
518Q91.2Very high90.6Very high86 Ų8651.2 Ų51.240%0.40224%0.24SC..Hα-helixtrans-60.8-35.8174.3-66.681.5-100112.2R516 A521 I522 V536R516-Q518 PolarHBondContact O-N 3.04Å; Q518-A521 PolarHBondContact O-N 2.86Å; Q518-I522 WeakPolarHBondContact O-CG1 3.37Å; Q518-I522 PolarHBondContact O-N 3.34Å; Q518-V536 HydrophobicContact CB-CG2 4.34Å; Q518-V536 HydrophobicContact CG-CG2 3.88Å
519R91.4Very high90.9Very high92 Ų9251.5 Ų51.535%0.34724%0.238SC..Hα-helixtrans-69.2-36.9177.1-65.3-169.869.8172.5-4.6111.7E515 R516 P517 A521 I522 W523 F608E515-R519 IonicContact OE1-CZ 2.89Å; E515-R519 IonicContact OE1-NH1 2.64Å; E515-R519 PolarHBondContact OE1-NH1 2.7Å; E515-R519 WeakPolarHBondContact OE2-CD 3.27Å; E515-R519 IonicContact OE2-NH1 2.59Å; R516-R519 PolarHBondContact O-N 2.65Å; P517-R519 VanDerWaalsContact C-N 3.28Å; P517-R519 PolarHBondContact O-N 2.84Å; R519-A521 VanDerWaalsContact C-N 3.34Å; R519-I522 PolarHBondContact O-N 3.24Å; R519-W523 PolarHBondContact O-N 3.14Å; R519-F608 HydrophobicContact CB-CE1 3.69Å; R519-F608 HydrophobicContact CB-CZ 4.4Å
520L91.2Very high90.8Very high0 Ų053.4 Ų53.40%025%0.248CC..Hα-helixtrans-66-38.6174.2-173.564.8000111.4P517 I522 W523 L524 L542 I579 M581 I587 I604 F608P517-L520 PolarHBondContact O-N 3.03Å; L520-I522 VanDerWaalsContact C-N 3.35Å; L520-I522 PolarHBondContact O-N 3.32Å; L520-W523 HydrophobicContact CD1-CE3 3.84Å; L520-W523 HydrophobicContact CD1-CZ3 4.43Å; L520-W523 PolarHBondContact O-N 2.64Å; L520-L524 WeakPolarHBondContact O-CG 3.34Å; L520-L524 PolarHBondContact O-N 3Å; L520-L542 HydrophobicContact CB-CD2 4.06Å; L520-L542 HydrophobicContact CD2-CD2 3.71Å; L520-L542 HydrophobicContact CG-CD2 3.8Å; L520-I579 HydrophobicContact CD2-CG2 4.4Å; L520-M581 HydrophobicContact CB-SD 3.73Å; L520-M581 HydrophobicContact CD2-CB 3.73Å; L520-M581 HydrophobicContact CD2-CG 4.22Å; L520-M581 HydrophobicContact CD2-SD 3.53Å; L520-M581 VanDerWaalsContact CD2-SD 3.53Å; L520-M581 HydrophobicContact CG-SD 4.27Å; L520-I587 HydrophobicContact CD2-CD1 4.11Å; L520-I587 HydrophobicContact CD2-CG1 4.38Å; L520-I604 HydrophobicContact CD1-CD1 4.17Å; L520-I604 HydrophobicContact CD1-CG1 4.21Å; L520-F608 HydrophobicContact CB-CZ 4.1Å; L520-F608 HydrophobicContact CD1-CE2 4.33Å; L520-F608 HydrophobicContact CD1-CZ 4.14Å
521A91.7Very high90.4Very high6 Ų657.7 Ų57.75%0.0527%0.269CS..Hα-helixtrans-61.1-42.5173.600000112P517 Q518 R519 W523 L524 N525 I534 V536 L542P517-A521 PolarHBondContact O-N 3.13Å; Q518-A521 PolarHBondContact O-N 2.86Å; R519-A521 VanDerWaalsContact C-N 3.34Å; A521-W523 PolarHBondContact O-N 2.76Å; A521-L524 PolarHBondContact O-N 2.89Å; A521-N525 VanDerWaalsContact O-CG 3.27Å; A521-N525 PolarHBondContact O-N 3.24Å; A521-N525 PolarHBondContact O-ND2 3.41Å; A521-I534 HydrophobicContact CB-CG2 4.41Å; A521-V536 HydrophobicContact CB-CG2 4.12Å; A521-L542 HydrophobicContact CB-CD1 4.13Å
522I92.7Very high90Very high86 Ų8660.7 Ų60.744%0.44129%0.29SS..Hα-helixtrans-59.6-46173.7-67.2164.3000110.8Q518 R519 L520 L524 N525 Q526Q518-I522 WeakPolarHBondContact O-CG1 3.37Å; Q518-I522 PolarHBondContact O-N 3.34Å; R519-I522 PolarHBondContact O-N 3.24Å; L520-I522 VanDerWaalsContact C-N 3.35Å; L520-I522 PolarHBondContact O-N 3.32Å; I522-L524 PolarHBondContact O-N 2.9Å; I522-N525 PolarHBondContact O-N 3.26Å; I522-Q526 WeakPolarHBondContact O-CG 3.13Å; I522-Q526 PolarHBondContact O-N 2.92Å; I522-Q526 VanDerWaalsContact O-N 3.11Å
523W94Very high89.8Confident2 Ų265 Ų651%0.00831%0.306CS..Hα-helixtrans-60.8-43.3177.6175.583.1000112.4F484 R519 L520 A521 N525 Q526 N527 F528 L600 S603 I604 H607F484-W523 HydrophobicContact CD2-CH2 4.36Å; F484-W523 HydrophobicContact CD2-CZ2 4.37Å; F484-W523 AromaticContact CE2-CH2 3.99Å; F484-W523 HydrophobicContact CE2-CH2 3.99Å; F484-W523 AromaticContact CE2-CZ2 3.76Å; F484-W523 HydrophobicContact CE2-CZ2 3.76Å; R519-W523 PolarHBondContact O-N 3.14Å; L520-W523 HydrophobicContact CD1-CE3 3.84Å; L520-W523 HydrophobicContact CD1-CZ3 4.43Å; L520-W523 PolarHBondContact O-N 2.64Å; A521-W523 PolarHBondContact O-N 2.76Å; W523-N525 VanDerWaalsContact C-N 3.34Å; W523-N525 PolarHBondContact O-N 2.85Å; W523-Q526 PolarHBondContact O-N 3.45Å; W523-N527 HydrophobicContact CZ2-CB 4.49Å; W523-N527 PolarHBondContact NE1-ND2 2.64Å; W523-N527 PolarHBondContact O-N 2.84Å; W523-N527 VanDerWaalsContact O-N 3.08Å; W523-N527 PolarHBondContact O-ND2 3.36Å; W523-F528 HydrophobicContact CH2-CE2 4.16Å; W523-F528 HydrophobicContact CZ3-CE2 4.15Å; W523-L600 HydrophobicContact CH2-CD2 3.72Å; W523-S603 PolarHBondContact NE1-OG 3.02Å; W523-I604 HydrophobicContact CD2-CG1 4.09Å; W523-I604 HydrophobicContact CE3-CG1 4Å; W523-I604 HydrophobicContact CH2-CD1 4.07Å; W523-I604 HydrophobicContact CH2-CG1 3.67Å; W523-I604 HydrophobicContact CZ2-CG1 3.75Å; W523-I604 HydrophobicContact CZ3-CD1 4.02Å; W523-I604 HydrophobicContact CZ3-CG1 3.79Å; W523-H607 AromaticContact CD1-CD2 3.83Å; W523-H607 AromaticContact CD1-CG 3.3Å; W523-H607 AromaticContact CD1-ND1 3.59Å; W523-H607 HydrophobicContact CG-CB 4.24Å; W523-H607 AromaticContact CG-CG 3.96Å
524L93.6Very high89.8Confident0 Ų064.9 Ų64.90%031%0.305CS..Hα-helixtrans-60.9-44.3175.8-72.7168.5000111.5L520 A521 I522 Q526 N527 F528 I534 L542 V544 F546 I579L520-L524 WeakPolarHBondContact O-CG 3.34Å; L520-L524 PolarHBondContact O-N 3Å; A521-L524 PolarHBondContact O-N 2.89Å; I522-L524 PolarHBondContact O-N 2.9Å; L524-Q526 PolarHBondContact O-N 3.35Å; L524-N527 PolarHBondContact O-N 3.02Å; L524-F528 HydrophobicContact CD2-CD2 3.93Å; L524-F528 HydrophobicContact CD2-CE2 3.67Å; L524-F528 HydrophobicContact CD2-CZ 4.43Å; L524-F528 WeakPolarHBondContact O-CB 3.37Å; L524-F528 PolarHBondContact O-N 2.9Å; L524-F528 VanDerWaalsContact O-N 3.12Å; L524-I534 HydrophobicContact CB-CD1 3.82Å; L524-I534 HydrophobicContact CD1-CD1 4.13Å; L524-I534 HydrophobicContact CD1-CG2 4.24Å; L524-L542 HydrophobicContact CD1-CD2 3.67Å; L524-V544 HydrophobicContact CD1-CG2 3.86Å; L524-F546 HydrophobicContact CD2-CE2 4.31Å; L524-F546 HydrophobicContact CD2-CZ 4.43Å; L524-I579 HydrophobicContact CD2-CD1 3.97Å
525N93.2Very high89.9Confident51 Ų5160.5 Ų60.527%0.27329%0.292SS..Hα-helixtrans-63.2-25.5178.5-69.7-29.2000113.2A521 I522 W523 L530 I534A521-N525 VanDerWaalsContact O-CG 3.27Å; A521-N525 PolarHBondContact O-N 3.24Å; A521-N525 PolarHBondContact O-ND2 3.41Å; I522-N525 PolarHBondContact O-N 3.26Å; W523-N525 VanDerWaalsContact C-N 3.34Å; W523-N525 PolarHBondContact O-N 2.85Å; N525-L530 HydrophobicContact CB-CD1 4.38Å; N525-L530 WeakPolarHBondContact OD1-CD1 3.45Å; N525-I534 PolarHBondContact ND2-O 3.31Å; N525-I534 WeakPolarHBondContact OD1-CB 3.39Å; N525-I534 PolarHBondContact OD1-N 3.35Å
526Q92.5Very high89.7Confident116 Ų11659.1 Ų59.154%0.54229%0.288SS..Hα-helixtrans-86.9-31.4178.5-71.6174.8-12.100113.6I522 W523 L524I522-Q526 WeakPolarHBondContact O-CG 3.13Å; I522-Q526 PolarHBondContact O-N 2.92Å; I522-Q526 VanDerWaalsContact O-N 3.11Å; W523-Q526 PolarHBondContact O-N 3.45Å; L524-Q526 PolarHBondContact O-N 3.35Å
527N93.9Very high89.5Confident29 Ų2952.5 Ų52.516%0.15527%0.266CS..Hα-helixtrans-104.6-8.7-169.5-66.4-76.3000114.6P482 F484 W523 L524P482-N527 WeakPolarHBondContact CB-O 3.24Å; F484-N527 WeakPolarHBondContact CA-O 3.3Å; F484-N527 HydrophobicContact CD2-CB 3.95Å; F484-N527 HydrophobicContact CE2-CB 4.49Å; F484-N527 PolarHBondContact N-O 3.17Å; W523-N527 HydrophobicContact CZ2-CB 4.49Å; W523-N527 PolarHBondContact NE1-ND2 2.64Å; W523-N527 PolarHBondContact O-N 2.84Å; W523-N527 VanDerWaalsContact O-N 3.08Å; W523-N527 PolarHBondContact O-ND2 3.36Å; L524-N527 PolarHBondContact O-N 3.02Å
528F93.6Very high88.8Confident6 Ų661.9 Ų61.93%0.02631%0.309CS..BIsolated β-bridgetrans-117.7157177.2-71.1-101.5000111.3F484 Y487 W523 L524 L530 F546 L577 L600F484-F528 HydrophobicContact CB-CD1 3.75Å; F484-F528 HydrophobicContact CB-CD2 4.09Å; F484-F528 HydrophobicContact CB-CE1 3.43Å; F484-F528 VanDerWaalsContact CB-CE1 3.43Å; F484-F528 HydrophobicContact CB-CE2 3.78Å; F484-F528 HydrophobicContact CB-CG 4.07Å; F484-F528 HydrophobicContact CB-CZ 3.44Å; F484-F528 VanDerWaalsContact CB-CZ 3.44Å; F484-F528 HydrophobicContact CD2-CD2 4.39Å; F484-F528 AromaticContact CD2-CE2 3.74Å; F484-F528 HydrophobicContact CD2-CE2 3.74Å; F484-F528 AromaticContact CD2-CZ 3.96Å; F484-F528 HydrophobicContact CD2-CZ 3.96Å; F484-F528 HydrophobicContact CG-CE1 4.23Å; F484-F528 AromaticContact CG-CE2 3.99Å; F484-F528 HydrophobicContact CG-CE2 3.99Å; F484-F528 AromaticContact CG-CZ 3.76Å; F484-F528 HydrophobicContact CG-CZ 3.76Å; F484-F528 WeakPolarHBondContact O-CD1 3.39Å; Y487-F528 HydrophobicContact CD2-CD1 4.35Å; Y487-F528 AromaticContact CD2-CE1 3.85Å; Y487-F528 HydrophobicContact CD2-CE1 3.85Å; Y487-F528 HydrophobicContact CG-CD1 4.37Å; Y487-F528 AromaticContact CG-CE1 3.84Å; Y487-F528 HydrophobicContact CG-CE1 3.84Å; W523-F528 HydrophobicContact CH2-CE2 4.16Å; W523-F528 HydrophobicContact CZ3-CE2 4.15Å; L524-F528 HydrophobicContact CD2-CD2 3.93Å; L524-F528 HydrophobicContact CD2-CE2 3.67Å; L524-F528 HydrophobicContact CD2-CZ 4.43Å; L524-F528 WeakPolarHBondContact O-CB 3.37Å; L524-F528 PolarHBondContact O-N 2.9Å; L524-F528 VanDerWaalsContact O-N 3.12Å; F528-L530 HydrophobicContact CB-CD2 3.87Å; F528-L530 HydrophobicContact CB-CG 4.08Å; F528-F546 HydrophobicContact CB-CE1 4.47Å; F528-F546 HydrophobicContact CD1-CD1 4.09Å; F528-F546 AromaticContact CD1-CE1 3.72Å; F528-F546 HydrophobicContact CD1-CE1 3.72Å; F528-F546 AromaticContact CD1-CZ 3.95Å; F528-F546 HydrophobicContact CD1-CZ 3.95Å; F528-F546 HydrophobicContact CE1-CD1 4.3Å; F528-F546 HydrophobicContact CE1-CD2 4.41Å; F528-F546 HydrophobicContact CE1-CE1 4.2Å; F528-F546 HydrophobicContact CE1-CE2 4.3Å; F528-F546 HydrophobicContact CE1-CG 4.41Å; F528-F546 HydrophobicContact CE1-CZ 4.2Å; F528-F546 HydrophobicContact CG-CE1 4.18Å; F528-F546 HydrophobicContact CG-CZ 4.17Å; F528-L577 HydrophobicContact CE1-CD2 4.47Å; F528-L577 HydrophobicContact CZ-CD2 4.46Å; F528-L600 HydrophobicContact CE2-CD2 4.38Å; F528-L600 HydrophobicContact CZ-CD2 3.96Å
529I90.7Very high88.1Confident17 Ų1765 Ų659%0.08732%0.324CS..  trans-91.8115.4169.9-59.6171.2000107.6L389 V391 V398 L481 P482 C485L389-I529 HydrophobicContact CB-CD1 4.17Å; L389-I529 HydrophobicContact CB-CG2 4.44Å; L389-I529 HydrophobicContact CD1-CD1 4.45Å; V391-I529 HydrophobicContact CG2-CB 3.89Å; V391-I529 HydrophobicContact CG2-CG2 3.93Å; V398-I529 HydrophobicContact CB-CD1 4.49Å; V398-I529 HydrophobicContact CG1-CD1 3.53Å; V398-I529 HydrophobicContact CG2-CD1 4.1Å; L481-I529 HydrophobicContact CD1-CD1 4.06Å; P482-I529 HydrophobicContact CG-CG1 4.03Å; C485-I529 HydrophobicContact CB-CD1 3.61Å; C485-I529 HydrophobicContact CB-CG1 4.21Å
530L88.7Confident87.6Confident41 Ų4163.2 Ų63.222%0.21533%0.326CS..  trans-124139.5-172.2-54.7170.9000110.9L489 N525 F528 I534 F546L489-L530 HydrophobicContact CB-CD2 4.17Å; L489-L530 HydrophobicContact CD2-CD2 4.28Å; N525-L530 HydrophobicContact CB-CD1 4.38Å; N525-L530 WeakPolarHBondContact OD1-CD1 3.45Å; F528-L530 HydrophobicContact CB-CD2 3.87Å; F528-L530 HydrophobicContact CB-CG 4.08Å; L530-I534 HydrophobicContact CD1-CD1 3.55Å; L530-I534 HydrophobicContact CD1-CG1 3.9Å; L530-I534 HydrophobicContact CD2-CD1 3.81Å; L530-I534 HydrophobicContact CD2-CG1 4.46Å; L530-I534 HydrophobicContact CG-CD1 4.35Å; L530-F546 HydrophobicContact CD2-CE1 3.78Å; L530-F546 HydrophobicContact CD2-CZ 4.26Å
531E82.4Confident87.3Confident169 Ų16964.5 Ų64.579%0.7933%0.334SS*.SBendtrans-78.2-29.4171.6-64.1-179.7-178.100112.3
532S83.3Confident87.1Confident64 Ų6464.4 Ų64.445%0.44833%0.333SS..SBendtrans-135.1139178.351.60000109.7I534S532-I534 PolarHBondContact O-N 2.82Å
533E86.3Confident87Confident155 Ų15561.6 Ų61.672%0.72432%0.318SS*.  trans-60.2136.2177.4-70-175171.500110.5Q492Q492-E533 PolarHBondContact NE2-O 2.92Å
534I86.8Confident86.8Confident4 Ų461.5 Ų61.52%0.02132%0.317CS..  trans-76.9127.2174.3-68.4161.6000108.2L489 A521 L524 N525 L530 S532 L542 V544 F546L489-I534 HydrophobicContact CD1-CD1 4.47Å; L489-I534 HydrophobicContact CD2-CG1 4.31Å; A521-I534 HydrophobicContact CB-CG2 4.41Å; L524-I534 HydrophobicContact CB-CD1 3.82Å; L524-I534 HydrophobicContact CD1-CD1 4.13Å; L524-I534 HydrophobicContact CD1-CG2 4.24Å; N525-I534 PolarHBondContact ND2-O 3.31Å; N525-I534 WeakPolarHBondContact OD1-CB 3.39Å; N525-I534 PolarHBondContact OD1-N 3.35Å; L530-I534 HydrophobicContact CD1-CD1 3.55Å; L530-I534 HydrophobicContact CD1-CG1 3.9Å; L530-I534 HydrophobicContact CD2-CD1 3.81Å; L530-I534 HydrophobicContact CD2-CG1 4.46Å; L530-I534 HydrophobicContact CG-CD1 4.35Å; S532-I534 PolarHBondContact O-N 2.82Å; I534-L542 HydrophobicContact CG2-CD1 3.62Å; I534-V544 HydrophobicContact CD1-CG1 3.98Å; I534-V544 HydrophobicContact CG1-CG1 4.03Å; I534-V544 HydrophobicContact CG2-CG1 3.67Å; I534-F546 HydrophobicContact CD1-CZ 3.92Å
535T86.5Confident86.6Confident93 Ų9361.6 Ų61.657%0.57132%0.318SS*.  trans-120.1153.1179580000111.1
536V84.1Confident86.5Confident32 Ų3259.1 Ų59.119%0.19431%0.305CS..  trans-78.5138.6176-173.70000108.5P517 Q518 A521 S541 L542P517-V536 HydrophobicContact CB-CG1 4.05Å; P517-V536 HydrophobicContact CB-CG2 4.19Å; Q518-V536 HydrophobicContact CB-CG2 4.34Å; Q518-V536 HydrophobicContact CG-CG2 3.88Å; A521-V536 HydrophobicContact CB-CG2 4.12Å; V536-S541 WeakPolarHBondContact CG1-O 3.48Å; V536-L542 HydrophobicContact CG2-CD1 4.46Å
537N82.4Confident86.3Confident46 Ų4654.5 Ų54.525%0.24628%0.283CS..  trans-70.5169.4179.269.525.5000112.6Q539 S540 S541N537-Q539 PolarHBondContact O-N 2.88Å; N537-Q539 WeakPolarHBondContact OD1-CA 3.29Å; N537-Q539 PolarHBondContact OD1-N 3.22Å; N537-Q539 VanDerWaalsContact OD1-N 3.08Å; N537-S540 PolarHBondContact O-N 3.4Å; N537-S540 PolarHBondContact OD1-N 2.9Å; N537-S541 PolarHBondContact N-O 2.88Å; N537-S541 PolarHBondContact ND2-O 2.88Å; N537-S541 VanDerWaalsContact ND2-O 3.16Å; N537-S541 PolarHBondContact ND2-OG 3.42Å; N537-S541 WeakPolarHBondContact OD1-CA 3.48Å; N537-S541 PolarHBondContact OD1-N 3.4Å; N537-S541 PolarHBondContact OD1-O 3.29Å; N537-S541 PolarHBondContact OD1-OG 2.92Å
538E74.7Confident86Confident205 Ų20554 Ų5496%0.95828%0.28SS*.THydrogen-bonded Turntrans-56.6-24.2-179.4-62.7179.4171.700113.8S540E538-S540 VanDerWaalsContact C-N 3.26Å; E538-S540 PolarHBondContact O-N 2.94Å
539Q76.6Confident85.7Confident151 Ų15154.4 Ų54.471%0.70628%0.282SS*.THydrogen-bonded Turntrans-86.79.2178.5-62.9-178.2-26.900113.1N537 S541N537-Q539 PolarHBondContact O-N 2.88Å; N537-Q539 WeakPolarHBondContact OD1-CA 3.29Å; N537-Q539 PolarHBondContact OD1-N 3.22Å; N537-Q539 VanDerWaalsContact OD1-N 3.08Å; Q539-S541 PolarHBondContact O-N 3.46Å
540S81.6Confident85.3Confident55 Ų5555.5 Ų55.539%0.38529%0.285SS..SBendtrans54.241.6-172.1-63.50000112.4P517 N537 E538 N583P517-S540 WeakPolarHBondContact CG-O 3.42Å; N537-S540 PolarHBondContact O-N 3.4Å; N537-S540 PolarHBondContact OD1-N 2.9Å; E538-S540 VanDerWaalsContact C-N 3.26Å; E538-S540 PolarHBondContact O-N 2.94Å; S540-N583 WeakPolarHBondContact O-CA 3.43Å
541S84.3Confident84.4Confident26 Ų2657.8 Ų57.818%0.18231%0.305CS..  trans-125.3152.9171.555.50000110.3V536 N537 Q539 M581V536-S541 WeakPolarHBondContact CG1-O 3.48Å; N537-S541 PolarHBondContact N-O 2.88Å; N537-S541 PolarHBondContact ND2-O 2.88Å; N537-S541 VanDerWaalsContact ND2-O 3.16Å; N537-S541 PolarHBondContact ND2-OG 3.42Å; N537-S541 WeakPolarHBondContact OD1-CA 3.48Å; N537-S541 PolarHBondContact OD1-N 3.4Å; N537-S541 PolarHBondContact OD1-O 3.29Å; N537-S541 PolarHBondContact OD1-OG 2.92Å; Q539-S541 PolarHBondContact O-N 3.46Å; S541-M581 CarbonylContact C-O 3.52Å; S541-M581 VanDerWaalsContact CA-O 3.3Å; S541-M581 WeakPolarHBondContact CA-O 3.34Å; S541-M581 WeakPolarHBondContact CB-O 3.47Å
542L88.4Confident83.2Confident4 Ų452.9 Ų52.92%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-113.7135.1-178.8-170.769.6000108.9L520 A521 L524 I534 V536 T580 M581L520-L542 HydrophobicContact CB-CD2 4.06Å; L520-L542 HydrophobicContact CD2-CD2 3.71Å; L520-L542 HydrophobicContact CG-CD2 3.8Å; A521-L542 HydrophobicContact CB-CD1 4.13Å; L524-L542 HydrophobicContact CD1-CD2 3.67Å; I534-L542 HydrophobicContact CG2-CD1 3.62Å; V536-L542 HydrophobicContact CG2-CD1 4.46Å; L542-T580 CarbonylContact O-C 3.59Å; L542-T580 VanDerWaalsContact O-CA 3.24Å; L542-T580 WeakPolarHBondContact O-CA 3.31Å; L542-M581 HydrophobicContact CB-CB 4.08Å; L542-M581 PolarHBondContact N-O 3.47Å; L542-M581 PolarHBondContact O-N 2.79Å
543F89.1Confident81.8Confident28 Ų2854 Ų5412%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-143.2121.9175.4177.4-86.4000108.2Q492 N493 P494 L502 V545 T580Q492-F543 CarbonylContact C-O 3.57Å; Q492-F543 VanDerWaalsContact CA-O 3.3Å; Q492-F543 WeakPolarHBondContact CA-O 3.42Å; N493-F543 WeakPolarHBondContact O-CE1 3.46Å; P494-F543 HydrophobicContact CB-CB 4.18Å; P494-F543 HydrophobicContact CB-CD1 4.14Å; P494-F543 HydrophobicContact CB-CD2 4.05Å; P494-F543 HydrophobicContact CB-CG 3.86Å; L502-F543 HydrophobicContact CD1-CE2 4.28Å; L502-F543 HydrophobicContact CD1-CZ 3.88Å; F543-V545 HydrophobicContact CD1-CG2 4.34Å; F543-V545 HydrophobicContact CE1-CG2 3.39Å; F543-V545 HydrophobicContact CZ-CG2 3.57Å; F543-T580 HydrophobicContact CD2-CG2 3.37Å; F543-T580 HydrophobicContact CE2-CG2 3.83Å; F543-T580 HydrophobicContact CG-CG2 4.34Å
544V90.4Very high79.8Confident0 Ų054.8 Ų54.80%029%0.289CS..EExtended strand (participates in β ladder)trans-140.4143.6176.4-72.10000110.9L489 S491 Q492 L524 I534 F546 I579L489-V544 HydrophobicContact CD1-CB 4.26Å; L489-V544 HydrophobicContact CD1-CG1 4.31Å; S491-V544 WeakPolarHBondContact O-CA 3.47Å; Q492-V544 HydrophobicContact CG-CG1 4.31Å; L524-V544 HydrophobicContact CD1-CG2 3.86Å; I534-V544 HydrophobicContact CD1-CG1 3.98Å; I534-V544 HydrophobicContact CG1-CG1 4.03Å; I534-V544 HydrophobicContact CG2-CG1 3.67Å; V544-F546 HydrophobicContact CB-CE2 3.94Å; V544-F546 HydrophobicContact CB-CZ 4.44Å; V544-F546 HydrophobicContact CG2-CD2 4.39Å; V544-F546 HydrophobicContact CG2-CE2 3.63Å; V544-F546 HydrophobicContact CG2-CZ 4.38Å; V544-I579 HydrophobicContact CG2-CB 3.81Å; V544-I579 PolarHBondContact N-O 3.01Å; V544-I579 PolarHBondContact O-N 2.86Å
545V89.6Confident77.7Confident1 Ų158.2 Ų58.21%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-122.9126.6177.8-171.20000108.9L490 S491 F543 L576 L577 Y578L490-V545 HydrophobicContact CB-CG1 4.49Å; L490-V545 HydrophobicContact CD1-CG1 4.4Å; L490-V545 PolarHBondContact N-O 3.05Å; S491-V545 PolarHBondContact N-O 3.2Å; S491-V545 PolarHBondContact O-N 3.16Å; F543-V545 HydrophobicContact CD1-CG2 4.34Å; F543-V545 HydrophobicContact CE1-CG2 3.39Å; F543-V545 HydrophobicContact CZ-CG2 3.57Å; V545-L576 HydrophobicContact CG1-CD2 4.42Å; V545-L577 CarbonylContact C-O 3.51Å; V545-L577 WeakPolarHBondContact CA-O 3.2Å; V545-Y578 HydrophobicContact CB-CD1 4.14Å; V545-Y578 HydrophobicContact CB-CE1 4.27Å; V545-Y578 HydrophobicContact CG1-CD1 3.67Å; V545-Y578 HydrophobicContact CG1-CE1 3.43Å; V545-Y578 VanDerWaalsContact CG1-CE1 3.43Å; V545-Y578 HydrophobicContact CG2-CD1 3.63Å; V545-Y578 HydrophobicContact CG2-CE1 3.9Å
546F90.2Very high75.6Confident0 Ų057.5 Ų57.50%029%0.294CS..EExtended strand (participates in β ladder)trans-117.4150.9175-61.6-87.5000111.5R488 L489 L524 F528 L530 I534 V544 L576 L577 I579R488-F546 CarbonylContact O-C 3.48Å; R488-F546 WeakPolarHBondContact O-CA 3.28Å; L489-F546 HydrophobicContact CB-CD1 4.11Å; L489-F546 HydrophobicContact CB-CE1 3.95Å; L489-F546 HydrophobicContact CD1-CD1 4.12Å; L489-F546 HydrophobicContact CD1-CE1 3.71Å; L489-F546 HydrophobicContact CD1-CZ 3.94Å; L489-F546 HydrophobicContact CG-CE1 4.43Å; L524-F546 HydrophobicContact CD2-CE2 4.31Å; L524-F546 HydrophobicContact CD2-CZ 4.43Å; F528-F546 HydrophobicContact CB-CE1 4.47Å; F528-F546 HydrophobicContact CD1-CD1 4.09Å; F528-F546 AromaticContact CD1-CE1 3.72Å; F528-F546 HydrophobicContact CD1-CE1 3.72Å; F528-F546 AromaticContact CD1-CZ 3.95Å; F528-F546 HydrophobicContact CD1-CZ 3.95Å; F528-F546 HydrophobicContact CE1-CD1 4.3Å; F528-F546 HydrophobicContact CE1-CD2 4.41Å; F528-F546 HydrophobicContact CE1-CE1 4.2Å; F528-F546 HydrophobicContact CE1-CE2 4.3Å; F528-F546 HydrophobicContact CE1-CG 4.41Å; F528-F546 HydrophobicContact CE1-CZ 4.2Å; F528-F546 HydrophobicContact CG-CE1 4.18Å; F528-F546 HydrophobicContact CG-CZ 4.17Å; L530-F546 HydrophobicContact CD2-CE1 3.78Å; L530-F546 HydrophobicContact CD2-CZ 4.26Å; I534-F546 HydrophobicContact CD1-CZ 3.92Å; V544-F546 HydrophobicContact CB-CE2 3.94Å; V544-F546 HydrophobicContact CB-CZ 4.44Å; V544-F546 HydrophobicContact CG2-CD2 4.39Å; V544-F546 HydrophobicContact CG2-CE2 3.63Å; V544-F546 HydrophobicContact CG2-CZ 4.38Å; F546-L576 CarbonylContact O-C 3.46Å; F546-L576 WeakPolarHBondContact O-CA 3.3Å; F546-L577 HydrophobicContact CB-CB 4.15Å; F546-L577 HydrophobicContact CB-CD2 4.26Å; F546-L577 HydrophobicContact CB-CG 4.48Å; F546-L577 HydrophobicContact CD2-CD2 4.1Å; F546-L577 HydrophobicContact CD2-CG 4.42Å; F546-L577 HydrophobicContact CG-CD2 4.48Å; F546-L577 PolarHBondContact N-O 3.22Å; F546-L577 PolarHBondContact O-N 3.3Å; F546-I579 HydrophobicContact CE2-CD1 4.38Å
547E88.5Confident73.3Confident18 Ų1857.6 Ų57.68%0.08430%0.296CS..EExtended strand (participates in β ladder)trans-98.3123.8166-175.9176-154.700108.8Y487 R488 L490 L549 K574Y487-E547 WeakPolarHBondContact CA-O 3.41Å; R488-E547 HydrophobicContact CB-CB 4.28Å; R488-E547 IonicContact CZ-OE2 3.8Å; R488-E547 PolarHBondContact N-O 3.22Å; R488-E547 IonicContact NH1-OE2 2.65Å; R488-E547 PolarHBondContact NH1-OE2 3.45Å; R488-E547 PolarHBondContact O-N 2.75Å; L490-E547 HydrophobicContact CD1-CB 3.92Å; L490-E547 HydrophobicContact CD2-CB 4.3Å; L490-E547 HydrophobicContact CG-CB 4.07Å; E547-L549 HydrophobicContact CG-CD2 4.25Å; E547-L549 PolarHBondContact O-N 3.23Å; E547-K574 WeakPolarHBondContact OE1-CD 3.43Å; E547-K574 WeakPolarHBondContact OE1-CE 3.34Å; E547-K574 WeakPolarHBondContact OE1-CG 3.39Å; E547-K574 IonicContact OE1-NZ 2.82Å; E547-K574 PolarHBondContact OE1-NZ 2.87Å; E547-K574 IonicContact OE2-NZ 2.87Å
548E88.8Confident71.1Confident19 Ų1958.3 Ų58.39%0.08930%0.302CS..EExtended strand (participates in β ladder)trans-74.4118.9170.5179.8179.1-15700109Y487 R550 R575 N593Y487-E548 HydrophobicContact CD1-CB 4.11Å; Y487-E548 HydrophobicContact CD1-CG 4.4Å; Y487-E548 HydrophobicContact CE1-CB 3.88Å; Y487-E548 HydrophobicContact CE1-CG 3.76Å; E548-R550 HydrophobicContact CG-CB 4.38Å; E548-R575 HydrophobicContact CB-CB 4Å; E548-R575 PolarHBondContact N-O 3Å; E548-R575 WeakPolarHBondContact OE2-CD 3.38Å; E548-N593 PolarHBondContact OE1-ND2 3.04Å; E548-N593 VanDerWaalsContact OE1-ND2 3.1Å
549L85.4Confident69.6Low15 Ų1549.2 Ų49.28%0.07926%0.26CS..  trans-88.9-18.4-178.1-62.3179.8000113V391 P396 L486 R488 E547 S551V391-L549 HydrophobicContact CG1-CD1 3.27Å; P396-L549 HydrophobicContact CB-CB 3.98Å; P396-L549 WeakPolarHBondContact CB-O 3.07Å; L486-L549 HydrophobicContact CD2-CB 4.3Å; L486-L549 WeakPolarHBondContact O-CB 3.39Å; L486-L549 PolarHBondContact O-N 3.45Å; R488-L549 HydrophobicContact CB-CD1 4.29Å; R488-L549 HydrophobicContact CB-CD2 4.36Å; R488-L549 HydrophobicContact CB-CG 4.41Å; E547-L549 HydrophobicContact CG-CD2 4.25Å; E547-L549 PolarHBondContact O-N 3.23Å; L549-S551 PolarHBondContact O-N 3.35Å
550R83.6Confident67.8Low40 Ų4045.5 Ų45.515%0.15125%0.245CC..SBendtrans-65.8132.9179.5-165.4174.8-69.6127.90.5109.1P446 K447 R448 D449 E548P446-R550 PolarHBondContact O-NE 2.85Å; P446-R550 PolarHBondContact O-NH2 3.46Å; K447-R550 PolarHBondContact O-NE 2.87Å; R448-R550 VanDerWaalsContact C-NH2 3.34Å; R448-R550 PolarHBondContact O-NH2 3.24Å; D449-R550 VanDerWaalsContact CG-NH1 3.34Å; D449-R550 IonicContact OD1-CZ 2.64Å; D449-R550 VanDerWaalsContact OD1-CZ 3.29Å; D449-R550 IonicContact OD1-NH1 2.92Å; D449-R550 PolarHBondContact OD1-NH1 3.35Å; D449-R550 IonicContact OD1-NH2 3.05Å; D449-R550 PolarHBondContact OD1-NH2 2.84Å; D449-R550 IonicContact OD2-NH1 2.92Å; D449-R550 PolarHBondContact OD2-NH1 2.98Å; D449-R550 VanDerWaalsContact OD2-NH1 3.12Å; E548-R550 HydrophobicContact CG-CB 4.38Å
551S68.6Low65.8Low89 Ų8946 Ų4662%0.62224%0.243SC*.PPolyproline II helixtrans-56142.9171.7-53.70000109.3L549 N553L549-S551 PolarHBondContact O-N 3.35Å; S551-N553 PolarHBondContact O-N 3Å; S551-N553 VanDerWaalsContact O-N 3.15Å
552P58.4Low63.9Low65 Ų6550.9 Ų50.942%0.42227%0.267SS..PPolyproline II helixtrans-46.7128.2172.9-25.932.3000109.4K554P552-K554 PolarHBondContact O-N 2.87Å
553N52.9Low61.8Low89 Ų8953.7 Ų53.748%0.47628%0.282SS..  trans-53.1110.2165.7-90.6-18.1000106.5S551 W555 I556S551-N553 PolarHBondContact O-N 3Å; S551-N553 VanDerWaalsContact O-N 3.15Å; N553-W555 HydrophobicContact CB-CB 4.25Å; N553-W555 PolarHBondContact O-N 3.21Å; N553-I556 PolarHBondContact O-N 2.89Å
554K45.2Very low59.1Low170 Ų17057.5 Ų57.574%0.73930%0.304SS*.Hα-helixtrans-48.2-25.1-176.6-86.3-175.4173.5-177.10112.7P552 I556 S557 T558P552-K554 PolarHBondContact O-N 2.87Å; K554-I556 PolarHBondContact O-N 3.01Å; K554-S557 WeakPolarHBondContact CA-OG 3.34Å; K554-S557 CarbonylContact O-C 3.55Å; K554-S557 PolarHBondContact O-N 3.47Å; K554-S557 VanDerWaalsContact O-N 3.13Å; K554-S557 PolarHBondContact O-OG 2.93Å; K554-T558 PolarHBondContact O-N 3.3Å; K554-T558 PolarHBondContact O-OG1 3.43Å
555W43.2Very low56.3Low76 Ų7665.6 Ų65.629%0.28835%0.347SS..Hα-helixtrans-36.3-52.6170.4156.7-82.4000115.6N553 T558 Y707 Q710N553-W555 HydrophobicContact CB-CB 4.25Å; N553-W555 PolarHBondContact O-N 3.21Å; W555-T558 PolarHBondContact O-N 3.44Å; W555-Y707 AromaticContact CD2-CD1 3.52Å; W555-Y707 HydrophobicContact CD2-CD1 3.52Å; W555-Y707 AromaticContact CD2-CE1 3.09Å; W555-Y707 HydrophobicContact CD2-CE1 3.09Å; W555-Y707 AromaticContact CE2-CD1 3.16Å; W555-Y707 AromaticContact CE2-CE1 3.34Å; W555-Y707 AromaticContact CE3-CD1 3.59Å; W555-Y707 HydrophobicContact CE3-CD1 3.59Å; W555-Y707 AromaticContact CE3-CE1 2.91Å; W555-Y707 HydrophobicContact CE3-CE1 2.91Å; W555-Y707 HydrophobicContact CE3-CE2 4.42Å; W555-Y707 AromaticContact CE3-CZ 3.35Å; W555-Y707 AromaticContact CG-CE1 3.97Å; W555-Y707 HydrophobicContact CG-CE1 3.97Å; W555-Y707 AromaticContact CH2-CD1 2.91Å; W555-Y707 HydrophobicContact CH2-CD1 2.91Å; W555-Y707 AromaticContact CH2-CD2 3.99Å; W555-Y707 HydrophobicContact CH2-CD2 3.99Å; W555-Y707 AromaticContact CH2-CE1 3.23Å; W555-Y707 HydrophobicContact CH2-CE1 3.23Å; W555-Y707 HydrophobicContact CH2-CE2 4.15Å; W555-Y707 AromaticContact CH2-CG 3.28Å; W555-Y707 HydrophobicContact CH2-CG 3.28Å; W555-Y707 AromaticContact CH2-CZ 3.75Å; W555-Y707 AromaticContact CZ2-CD1 2.88Å; W555-Y707 HydrophobicContact CZ2-CD1 2.88Å; W555-Y707 AromaticContact CZ2-CE1 3.44Å; W555-Y707 HydrophobicContact CZ2-CE1 3.44Å; W555-Y707 VanDerWaalsContact CZ2-CE1 3.44Å; W555-Y707 AromaticContact CZ2-CG 3.56Å; W555-Y707 HydrophobicContact CZ2-CG 3.56Å; W555-Y707 AromaticContact CZ3-CD1 3.29Å; W555-Y707 HydrophobicContact CZ3-CD1 3.29Å; W555-Y707 HydrophobicContact CZ3-CD2 4.18Å; W555-Y707 AromaticContact CZ3-CE1 2.96Å; W555-Y707 HydrophobicContact CZ3-CE1 2.96Å; W555-Y707 AromaticContact CZ3-CE2 3.85Å; W555-Y707 HydrophobicContact CZ3-CE2 3.85Å; W555-Y707 AromaticContact CZ3-CG 3.83Å; W555-Y707 HydrophobicContact CZ3-CG 3.83Å; W555-Y707 AromaticContact CZ3-CZ 3.18Å; W555-Q710 VanDerWaalsContact CZ2-OE1 3.27Å
556I41.9Very low53.5Low79 Ų7973 Ų7341%0.40538%0.38SS..Hα-helixtrans-72.3-41.3178.9-74.1151.2000111.1N553 K554 T558 I559 N560N553-I556 PolarHBondContact O-N 2.89Å; K554-I556 PolarHBondContact O-N 3.01Å; I556-T558 PolarHBondContact O-N 3.43Å; I556-I559 PolarHBondContact O-N 3.08Å; I556-N560 PolarHBondContact O-N 3.28Å
557S35.9Very low50.6Low33 Ų3378.7 Ų78.723%0.23141%0.414CS..Hα-helixtrans-65.4-26.1177.649.40000113.1K554 N561K554-S557 WeakPolarHBondContact CA-OG 3.34Å; K554-S557 CarbonylContact O-C 3.55Å; K554-S557 PolarHBondContact O-N 3.47Å; K554-S557 VanDerWaalsContact O-N 3.13Å; K554-S557 PolarHBondContact O-OG 2.93Å; S557-N561 WeakPolarHBondContact O-CB 2.88Å; S557-N561 PolarHBondContact O-N 2.95Å; S557-N561 PolarHBondContact O-OD1 2.89Å
558T36.8Very low48.1Very low62 Ų6281.7 Ų81.738%0.3843%0.433SS..Hα-helixtrans-78-31.1-176.9-43.70000111.9K554 W555 I556 N561 N562K554-T558 PolarHBondContact O-N 3.3Å; K554-T558 PolarHBondContact O-OG1 3.43Å; W555-T558 PolarHBondContact O-N 3.44Å; I556-T558 PolarHBondContact O-N 3.43Å; T558-N561 PolarHBondContact O-N 2.81Å; T558-N562 WeakPolarHBondContact O-CB 3.48Å; T558-N562 PolarHBondContact O-N 3.45Å; T558-N562 VanDerWaalsContact O-N 3.08Å
559I42.5Very low45.3Very low14 Ų1487.6 Ų87.67%0.07246%0.461CS..Hα-helixtrans-65.5-46.7172.2-63.5166.2000109.3I556 N561 N562 L563 T625 L629 Y707I556-I559 PolarHBondContact O-N 3.08Å; I559-N561 PolarHBondContact O-N 2.94Å; I559-N562 PolarHBondContact O-N 2.83Å; I559-L563 HydrophobicContact CG2-CD1 3.71Å; I559-L563 PolarHBondContact O-N 3.18Å; I559-T625 HydrophobicContact CG2-CG2 4.15Å; I559-L629 HydrophobicContact CD1-CD1 4.44Å; I559-L629 HydrophobicContact CD1-CD2 4.21Å; I559-Y707 HydrophobicContact CD1-CD1 3.61Å; I559-Y707 HydrophobicContact CD1-CE1 3.79Å; I559-Y707 HydrophobicContact CD1-CG 4.4Å; I559-Y707 HydrophobicContact CG1-CE1 4.34Å
560N38Very low43Very low73 Ų7395.5 Ų95.539%0.3950%0.497SS..Hα-helixtrans-61-42.2175.5-78.9-2.5000112.5I556 N562 L563 N564I556-N560 PolarHBondContact O-N 3.28Å; N560-N562 VanDerWaalsContact C-N 3.33Å; N560-N562 PolarHBondContact O-N 2.92Å; N560-L563 PolarHBondContact O-N 2.83Å; N560-N564 PolarHBondContact O-N 3.01Å
561N40.4Very low40.8Very low64 Ų64100.5 Ų100.534%0.34252%0.522SS..Hα-helixtrans-68.6-27.8-179.6-72.6-2000113.9S557 T558 I559 N564 F566S557-N561 WeakPolarHBondContact O-CB 2.88Å; S557-N561 PolarHBondContact O-N 2.95Å; S557-N561 PolarHBondContact O-OD1 2.89Å; T558-N561 PolarHBondContact O-N 2.81Å; I559-N561 PolarHBondContact O-N 2.94Å; N561-N564 CarbonylContact C-O 3.59Å; N561-N564 WeakPolarHBondContact CA-O 3.36Å; N561-F566 PolarHBondContact OD1-O 3.04Å
562N43.3Very low39.6Very low129 Ų129103.7 Ų103.769%0.6953%0.532SS*.Hα-helixtrans-87.3-27.1178.5-75.8-16.4000112.7T558 I559 N560T558-N562 WeakPolarHBondContact O-CB 3.48Å; T558-N562 PolarHBondContact O-N 3.45Å; T558-N562 VanDerWaalsContact O-N 3.08Å; I559-N562 PolarHBondContact O-N 2.83Å; N560-N562 VanDerWaalsContact C-N 3.33Å; N560-N562 PolarHBondContact O-N 2.92Å
563L45Very low39.5Very low64 Ų64104.5 Ų104.534%0.33554%0.54SS..Hα-helixtrans-86.2-27.8176.2-83.3154000112.5I559 N560I559-L563 HydrophobicContact CG2-CD1 3.71Å; I559-L563 PolarHBondContact O-N 3.18Å; N560-L563 PolarHBondContact O-N 2.83Å
564N31.8Very low40.1Very low107 Ų107106.3 Ų106.357%0.57254%0.543SS*.SBendtrans-143.9136.1175.1-74.6-53.5000109.5N560 N561 F566N560-N564 PolarHBondContact O-N 3.01Å; N561-N564 CarbonylContact C-O 3.59Å; N561-N564 WeakPolarHBondContact CA-O 3.36Å; N564-F566 HydrophobicContact CB-CD2 4.31Å; N564-F566 PolarHBondContact O-N 3.18Å
565N32.3Very low41.7Very low170 Ų170101.4 Ų101.491%0.90952%0.52SS*.  trans-65.147165.8-84.2-27.4000111.6V567N565-V567 PolarHBondContact O-N 3.2Å
566F31.3Very low43.7Very low158 Ų15898.6 Ų98.669%0.69351%0.511SS*.  trans-84.5102.3163.7-101.6-92000106.6N561 N564 V568N561-F566 PolarHBondContact OD1-O 3.04Å; N564-F566 HydrophobicContact CB-CD2 4.31Å; N564-F566 PolarHBondContact O-N 3.18Å; F566-V568 VanDerWaalsContact C-N 3.28Å; F566-V568 PolarHBondContact O-N 3.04Å
567V29.1Very low45.9Very low118 Ų11894.9 Ų94.972%0.71549%0.491SS*.  trans-43.9107148.9176.20000105.3N565 E569N565-V567 PolarHBondContact O-N 3.2Å; V567-E569 PolarHBondContact O-N 2.89Å
568V35.3Very low48.4Very low81 Ų8193.4 Ų93.449%0.49148%0.481SS..  trans-61.892.6160.3175.50000103.2F566 Q570F566-V568 VanDerWaalsContact C-N 3.28Å; F566-V568 PolarHBondContact O-N 3.04Å; V568-Q570 PolarHBondContact O-N 2.55Å; V568-Q570 VanDerWaalsContact O-N 3.14Å
569E31.2Very low51.1Low144 Ų14490.4 Ų90.467%0.67346%0.463SS*.  trans-43.7126.3157.3-72-174161.400104.7V567 E571V567-E569 PolarHBondContact O-N 2.89Å; E569-E571 PolarHBondContact O-N 3.32Å
570Q35.7Very low53.4Low180 Ų18091.4 Ų91.484%0.84147%0.47SS*.  trans-62.171.4167.5-71178.1-24.300107.1V568 N572V568-Q570 PolarHBondContact O-N 2.55Å; V568-Q570 VanDerWaalsContact O-N 3.14Å; Q570-N572 VanDerWaalsContact C-N 3.27Å; Q570-N572 PolarHBondContact O-N 2.86Å
571E38.4Very low55.9Low145 Ų14588 Ų8868%0.67845%0.451SS*.  trans-64.6104.5157.7-76.6-165.616000104.1E569 S573E569-E571 PolarHBondContact O-N 3.32Å; E571-S573 PolarHBondContact O-N 3.15Å
572N43.9Very low58.3Low157 Ų15787 Ų8784%0.8445%0.448SS*.  trans-60.546.7162.1-83.7-25.9000110.4Q570 K574Q570-N572 VanDerWaalsContact C-N 3.27Å; Q570-N572 PolarHBondContact O-N 2.86Å; N572-K574 PolarHBondContact O-N 2.82Å
573S55.4Low60.3Low82 Ų8286.2 Ų86.257%0.57344%0.443SS*.  trans-75.297.9173.5-70.30000106.2E571 R575E571-S573 PolarHBondContact O-N 3.15Å; S573-R575 PolarHBondContact O-N 2.93Å
574K66.4Low62.1Low127 Ų12790.6 Ų90.655%0.55246%0.46SS*.  trans-49.1123.6174.4-67.5-177166.8-150.90108.7E547 N572 L576E547-K574 WeakPolarHBondContact OE1-CD 3.43Å; E547-K574 WeakPolarHBondContact OE1-CE 3.34Å; E547-K574 WeakPolarHBondContact OE1-CG 3.39Å; E547-K574 IonicContact OE1-NZ 2.82Å; E547-K574 PolarHBondContact OE1-NZ 2.87Å; E547-K574 IonicContact OE2-NZ 2.87Å; N572-K574 PolarHBondContact O-N 2.82Å; K574-L576 HydrophobicContact CB-CD2 4.46Å; K574-L576 PolarHBondContact O-N 2.91Å
575R78.6Confident64.7Low66 Ų6685.5 Ų85.525%0.24943%0.433CS..  trans-79116.5176.4-74.9-177.5172.9-161.7-8108.7E548 S573E548-R575 HydrophobicContact CB-CB 4Å; E548-R575 PolarHBondContact N-O 3Å; E548-R575 WeakPolarHBondContact OE2-CD 3.38Å; S573-R575 PolarHBondContact O-N 2.93Å
576L84.4Confident67.6Low17 Ų1780.4 Ų80.49%0.08940%0.404CS..EExtended strand (participates in β ladder)trans-105.2134.8-174.3-61.7171.1000109.8L490 F498 D501 V545 F546 K574 Y578L490-L576 HydrophobicContact CD1-CD2 3.47Å; L490-L576 VanDerWaalsContact CD1-CD2 3.47Å; F498-L576 HydrophobicContact CD1-CD1 4.19Å; D501-L576 HydrophobicContact CB-CD1 3.93Å; V545-L576 HydrophobicContact CG1-CD2 4.42Å; F546-L576 CarbonylContact O-C 3.46Å; F546-L576 WeakPolarHBondContact O-CA 3.3Å; K574-L576 HydrophobicContact CB-CD2 4.46Å; K574-L576 PolarHBondContact O-N 2.91Å; L576-Y578 HydrophobicContact CB-CD2 4.31Å; L576-Y578 HydrophobicContact CB-CE1 4.4Å; L576-Y578 HydrophobicContact CB-CE2 3.48Å; L576-Y578 VanDerWaalsContact CB-CE2 3.48Å; L576-Y578 WeakPolarHBondContact CD1-OH 3.35Å
577L88.7Confident70.5Confident1 Ų172.9 Ų72.91%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-109.6122171.7165.668.6000107.8Y487 F528 V545 F546 I579 I589 T591 L596 L600Y487-L577 HydrophobicContact CD1-CD2 4.26Å; F528-L577 HydrophobicContact CE1-CD2 4.47Å; F528-L577 HydrophobicContact CZ-CD2 4.46Å; V545-L577 CarbonylContact C-O 3.51Å; V545-L577 WeakPolarHBondContact CA-O 3.2Å; F546-L577 HydrophobicContact CB-CB 4.15Å; F546-L577 HydrophobicContact CB-CD2 4.26Å; F546-L577 HydrophobicContact CB-CG 4.48Å; F546-L577 HydrophobicContact CD2-CD2 4.1Å; F546-L577 HydrophobicContact CD2-CG 4.42Å; F546-L577 HydrophobicContact CG-CD2 4.48Å; F546-L577 PolarHBondContact N-O 3.22Å; F546-L577 PolarHBondContact O-N 3.3Å; L577-I579 HydrophobicContact CD1-CG1 4.17Å; L577-I579 HydrophobicContact CD2-CD1 4.22Å; L577-I579 HydrophobicContact CG-CD1 4.41Å; L577-I579 HydrophobicContact CG-CG1 4.23Å; L577-I589 HydrophobicContact CD1-CG2 3.76Å; L577-T591 HydrophobicContact CD1-CG2 4.48Å; L577-L596 HydrophobicContact CD1-CD2 4.37Å; L577-L596 HydrophobicContact CD2-CD2 4.26Å; L577-L600 HydrophobicContact CD1-CD1 3.65Å; L577-L600 HydrophobicContact CD2-CD1 3.97Å; L577-L600 HydrophobicContact CG-CD1 4.46Å
578Y88.9Confident73.5Confident2 Ų269.1 Ų69.11%0.00835%0.348CS..EExtended strand (participates in β ladder)trans-113.7129.3177.1-52.3-91.6000109.3F498 L502 V505 V545 L576 I589 K590F498-Y578 HydrophobicContact CB-CE1 4.46Å; L502-Y578 HydrophobicContact CD1-CD1 3.77Å; L502-Y578 HydrophobicContact CD1-CE1 3.53Å; L502-Y578 HydrophobicContact CD2-CD1 3.78Å; L502-Y578 HydrophobicContact CD2-CD2 4.47Å; L502-Y578 HydrophobicContact CD2-CE1 4.09Å; L502-Y578 HydrophobicContact CD2-CG 3.98Å; L502-Y578 HydrophobicContact CG-CD1 3.62Å; L502-Y578 HydrophobicContact CG-CE1 3.39Å; L502-Y578 HydrophobicContact CG-CE2 4.31Å; L502-Y578 HydrophobicContact CG-CG 4.19Å; V505-Y578 HydrophobicContact CB-CE2 4.4Å; V505-Y578 HydrophobicContact CG2-CE2 4.06Å; V545-Y578 HydrophobicContact CB-CD1 4.14Å; V545-Y578 HydrophobicContact CB-CE1 4.27Å; V545-Y578 HydrophobicContact CG1-CD1 3.67Å; V545-Y578 HydrophobicContact CG1-CE1 3.43Å; V545-Y578 VanDerWaalsContact CG1-CE1 3.43Å; V545-Y578 HydrophobicContact CG2-CD1 3.63Å; V545-Y578 HydrophobicContact CG2-CE1 3.9Å; L576-Y578 HydrophobicContact CB-CD2 4.31Å; L576-Y578 HydrophobicContact CB-CE1 4.4Å; L576-Y578 HydrophobicContact CB-CE2 3.48Å; L576-Y578 VanDerWaalsContact CB-CE2 3.48Å; L576-Y578 WeakPolarHBondContact CD1-OH 3.35Å; Y578-I589 CarbonylContact O-C 3.6Å; Y578-I589 VanDerWaalsContact O-CA 3.28Å; Y578-I589 WeakPolarHBondContact O-CA 3.35Å; Y578-K590 HydrophobicContact CD2-CB 3.93Å; Y578-K590 HydrophobicContact CG-CB 4.43Å; Y578-K590 PolarHBondContact N-O 3.43Å; Y578-K590 PolarHBondContact O-N 3.26Å
579I91.9Very high76.2Confident0 Ų065.2 Ų65.20%032%0.324CS..EExtended strand (participates in β ladder)trans-124.6123.5174.1-55173.5000107.8L520 L524 V544 F546 L577 I589 L600L520-I579 HydrophobicContact CD2-CG2 4.4Å; L524-I579 HydrophobicContact CD2-CD1 3.97Å; V544-I579 HydrophobicContact CG2-CB 3.81Å; V544-I579 PolarHBondContact N-O 3.01Å; V544-I579 PolarHBondContact O-N 2.86Å; F546-I579 HydrophobicContact CE2-CD1 4.38Å; L577-I579 HydrophobicContact CD1-CG1 4.17Å; L577-I579 HydrophobicContact CD2-CD1 4.22Å; L577-I579 HydrophobicContact CG-CD1 4.41Å; L577-I579 HydrophobicContact CG-CG1 4.23Å; I579-I589 HydrophobicContact CG1-CG1 4.45Å; I579-I589 HydrophobicContact CG1-CG2 4.45Å; I579-I589 HydrophobicContact CG2-CG1 4.49Å; I579-L600 HydrophobicContact CD1-CD1 4.41Å
580T90.7Very high79.1Confident35 Ų3561.2 Ų61.222%0.21531%0.305CS..EExtended strand (participates in β ladder)trans-130.1140.1178.369.10000110.6L542 F543 I587 T588L542-T580 CarbonylContact O-C 3.59Å; L542-T580 VanDerWaalsContact O-CA 3.24Å; L542-T580 WeakPolarHBondContact O-CA 3.31Å; F543-T580 HydrophobicContact CD2-CG2 3.37Å; F543-T580 HydrophobicContact CE2-CG2 3.83Å; F543-T580 HydrophobicContact CG-CG2 4.34Å; T580-I587 WeakPolarHBondContact O-CA 3.5Å; T580-T588 PolarHBondContact N-O 2.82Å; T580-T588 PolarHBondContact O-N 2.79Å; T580-T588 WeakPolarHBondContact OG1-CB 3.35Å
581M91.5Very high81.6Confident1 Ų152.9 Ų52.91%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-131.9126.1173.1-173.9175.5179.500110.6E515 P517 L520 S541 L542 E586 I587E515-M581 WeakPolarHBondContact O-CE 3.36Å; P517-M581 HydrophobicContact CB-CG 4.43Å; P517-M581 HydrophobicContact CB-SD 4.1Å; P517-M581 HydrophobicContact CG-CE 4.17Å; P517-M581 HydrophobicContact CG-CG 4.18Å; P517-M581 HydrophobicContact CG-SD 4.13Å; L520-M581 HydrophobicContact CB-SD 3.73Å; L520-M581 HydrophobicContact CD2-CB 3.73Å; L520-M581 HydrophobicContact CD2-CG 4.22Å; L520-M581 HydrophobicContact CD2-SD 3.53Å; L520-M581 VanDerWaalsContact CD2-SD 3.53Å; L520-M581 HydrophobicContact CG-SD 4.27Å; S541-M581 CarbonylContact C-O 3.52Å; S541-M581 VanDerWaalsContact CA-O 3.3Å; S541-M581 WeakPolarHBondContact CA-O 3.34Å; S541-M581 WeakPolarHBondContact CB-O 3.47Å; L542-M581 HydrophobicContact CB-CB 4.08Å; L542-M581 PolarHBondContact N-O 3.47Å; L542-M581 PolarHBondContact O-N 2.79Å; M581-E586 CarbonylContact C-O 3.34Å; M581-E586 VanDerWaalsContact CA-O 3.28Å; M581-E586 WeakPolarHBondContact CA-O 3.34Å; M581-I587 HydrophobicContact CB-CG1 4.12Å; M581-I587 HydrophobicContact CE-CD1 4.45Å; M581-I587 HydrophobicContact CE-CG1 4.47Å; M581-I587 HydrophobicContact CG-CD1 4.48Å; M581-I587 HydrophobicContact CG-CG1 3.74Å; M581-I587 HydrophobicContact SD-CD1 4.08Å; M581-I587 HydrophobicContact SD-CG1 3.99Å
582T90.1Very high83.7Confident44 Ų4449.7 Ų49.727%0.2725%0.251SS..  trans-82.9164.9176.372.20000111.1K584 G585 E586T582-K584 PolarHBondContact O-N 3.38Å; T582-K584 PolarHBondContact OG1-N 3.33Å; T582-G585 PolarHBondContact O-N 3Å; T582-E586 HydrophobicContact CG2-CB 4.31Å; T582-E586 PolarHBondContact N-O 3.16Å; T582-E586 WeakPolarHBondContact OG1-CB 3.18Å; T582-E586 PolarHBondContact OG1-N 2.95Å; T582-E586 PolarHBondContact OG1-OE2 3.13Å; T582-E586 VanDerWaalsContact OG1-OE2 3.08Å
583N84.7Confident85.6Confident112 Ų11243.5 Ų43.560%0.59922%0.218SC*.THydrogen-bonded Turntrans-63.9-16.6175.164.9-11.3000113.7S540 G585S540-N583 WeakPolarHBondContact O-CA 3.43Å; N583-G585 VanDerWaalsContact C-N 3.3Å
584K84.6Confident87.1Confident155 Ų15540 Ų4067%0.67419%0.193SC*.THydrogen-bonded Turntrans-83-6.4174.2-64.1-178.4-177.9177.10113.2T582 E586T582-K584 PolarHBondContact O-N 3.38Å; T582-K584 PolarHBondContact OG1-N 3.33Å; K584-E586 HydrophobicContact CB-CG 4.32Å
585G86.4Confident88Confident1 Ų136.7 Ų36.71%0.0118%0.179CC..  trans87.214.1-17700000114.5V513 T582 N583V513-G585 PolarHBondContact N-O 3.4Å; V513-G585 CarbonylContact O-C 3.59Å; V513-G585 VanDerWaalsContact O-CA 3.22Å; V513-G585 WeakPolarHBondContact O-CA 3.04Å; V513-G585 VanDerWaalsContact O-O 3.14Å; T582-G585 PolarHBondContact O-N 3Å; N583-G585 VanDerWaalsContact C-N 3.3Å
586E91.9Very high88.4Confident63 Ų6333.5 Ų33.529%0.29417%0.167SC..EExtended strand (participates in β ladder)trans-79.6122.6175.2-57.3159164.900108.9F510 V512 M581 T582 K584F510-E586 HydrophobicContact CE2-CB 3.83Å; F510-E586 HydrophobicContact CE2-CG 4.32Å; F510-E586 HydrophobicContact CZ-CB 4.14Å; F510-E586 HydrophobicContact CZ-CG 4.18Å; V512-E586 HydrophobicContact CG2-CG 4.11Å; M581-E586 CarbonylContact C-O 3.34Å; M581-E586 VanDerWaalsContact CA-O 3.28Å; M581-E586 WeakPolarHBondContact CA-O 3.34Å; T582-E586 HydrophobicContact CG2-CB 4.31Å; T582-E586 PolarHBondContact N-O 3.16Å; T582-E586 WeakPolarHBondContact OG1-CB 3.18Å; T582-E586 PolarHBondContact OG1-N 2.95Å; T582-E586 PolarHBondContact OG1-OE2 3.13Å; T582-E586 VanDerWaalsContact OG1-OE2 3.08Å; K584-E586 HydrophobicContact CB-CG 4.32Å
587I92.6Very high88.7Confident0 Ų032.7 Ų32.70%016%0.163CC..EExtended strand (participates in β ladder)trans-108.4128.4179.3-61.4174.7000108.9F510 F511 V513 L520 T580 M581 I589 F608F510-I587 WeakPolarHBondContact CA-O 3.49Å; F511-I587 HydrophobicContact CD2-CB 4.21Å; F511-I587 HydrophobicContact CD2-CD1 4.48Å; F511-I587 HydrophobicContact CE1-CB 4.19Å; F511-I587 HydrophobicContact CE1-CG2 3.85Å; F511-I587 HydrophobicContact CE2-CB 3.84Å; F511-I587 HydrophobicContact CE2-CD1 3.69Å; F511-I587 HydrophobicContact CE2-CG1 4.28Å; F511-I587 HydrophobicContact CE2-CG2 4.08Å; F511-I587 HydrophobicContact CZ-CB 3.83Å; F511-I587 HydrophobicContact CZ-CD1 4.11Å; F511-I587 HydrophobicContact CZ-CG2 3.54Å; F511-I587 PolarHBondContact N-O 3.45Å; F511-I587 PolarHBondContact O-N 2.99Å; V513-I587 HydrophobicContact CB-CD1 4.29Å; V513-I587 HydrophobicContact CG2-CD1 3.83Å; L520-I587 HydrophobicContact CD2-CD1 4.11Å; L520-I587 HydrophobicContact CD2-CG1 4.38Å; T580-I587 WeakPolarHBondContact O-CA 3.5Å; M581-I587 HydrophobicContact CB-CG1 4.12Å; M581-I587 HydrophobicContact CE-CD1 4.45Å; M581-I587 HydrophobicContact CE-CG1 4.47Å; M581-I587 HydrophobicContact CG-CD1 4.48Å; M581-I587 HydrophobicContact CG-CG1 3.74Å; M581-I587 HydrophobicContact SD-CD1 4.08Å; M581-I587 HydrophobicContact SD-CG1 3.99Å; I587-I589 HydrophobicContact CG2-CG1 4.12Å; I587-F608 HydrophobicContact CD1-CE2 4.5Å
588T92.2Very high88.6Confident38 Ų3832.7 Ų32.723%0.23316%0.163CC..EExtended strand (participates in β ladder)trans-120124.2172.4-47.80000109V509 T580 K590V509-T588 WeakPolarHBondContact O-CA 2.87Å; T580-T588 PolarHBondContact N-O 2.82Å; T580-T588 PolarHBondContact O-N 2.79Å; T580-T588 WeakPolarHBondContact OG1-CB 3.35Å; T588-K590 HydrophobicContact CG2-CG 4.25Å
589I92.7Very high88.5Confident0 Ų034.7 Ų34.70%017%0.174CC..EExtended strand (participates in β ladder)trans-113.1111.6173.8-57.3179000107.6G508 V509 F511 L577 Y578 I579 I587 T591 L600 V601 I604G508-I589 CarbonylContact C-O 3.59Å; G508-I589 WeakPolarHBondContact CA-O 3.41Å; V509-I589 PolarHBondContact N-O 2.83Å; V509-I589 PolarHBondContact O-N 3.05Å; F511-I589 HydrophobicContact CE1-CD1 3.89Å; F511-I589 HydrophobicContact CE1-CG1 4.28Å; F511-I589 HydrophobicContact CZ-CD1 4.23Å; L577-I589 HydrophobicContact CD1-CG2 3.76Å; Y578-I589 CarbonylContact O-C 3.6Å; Y578-I589 VanDerWaalsContact O-CA 3.28Å; Y578-I589 WeakPolarHBondContact O-CA 3.35Å; I579-I589 HydrophobicContact CG1-CG1 4.45Å; I579-I589 HydrophobicContact CG1-CG2 4.45Å; I579-I589 HydrophobicContact CG2-CG1 4.49Å; I587-I589 HydrophobicContact CG2-CG1 4.12Å; I589-T591 HydrophobicContact CG2-CG2 4.31Å; I589-L600 HydrophobicContact CD1-CB 3.99Å; I589-L600 HydrophobicContact CD1-CD1 4.48Å; I589-L600 HydrophobicContact CG2-CD1 3.97Å; I589-V601 HydrophobicContact CD1-CG2 4.26Å; I589-I604 HydrophobicContact CD1-CD1 4.08Å
590K90.4Very high88.5Confident60 Ų6034.7 Ų34.726%0.26117%0.174SC..EExtended strand (participates in β ladder)trans-100.8124.3172.7-61.2-177.3170-168.70109.9L502 V505 S507 Y578 T588L502-K590 HydrophobicContact CD2-CD 4.12Å; L502-K590 PolarHBondContact O-NZ 3.34Å; V505-K590 HydrophobicContact CG1-CB 4.12Å; S507-K590 WeakPolarHBondContact O-CA 3.33Å; Y578-K590 HydrophobicContact CD2-CB 3.93Å; Y578-K590 HydrophobicContact CG-CB 4.43Å; Y578-K590 PolarHBondContact N-O 3.43Å; Y578-K590 PolarHBondContact O-N 3.26Å; T588-K590 HydrophobicContact CG2-CG 4.25Å
591T88.2Confident88.5Confident4 Ų433 Ų333%0.02516%0.163CC..  trans-160.8148.6177.1177.40000108.6S507 L577 I589 N593 A597 F619S507-T591 CarbonylContact C-O 3.49Å; S507-T591 WeakPolarHBondContact CB-O 3.48Å; S507-T591 PolarHBondContact O-N 3.13Å; S507-T591 VanDerWaalsContact O-O 3.11Å; L577-T591 HydrophobicContact CD1-CG2 4.48Å; I589-T591 HydrophobicContact CG2-CG2 4.31Å; T591-N593 VanDerWaalsContact C-N 3.31Å; T591-N593 WeakPolarHBondContact CG2-O 3.49Å; T591-N593 PolarHBondContact OG1-N 3.12Å; T591-A597 HydrophobicContact CG2-CB 3.71Å; T591-F619 WeakPolarHBondContact O-CE1 2.92Å
592E83.1Confident88.2Confident79 Ų7934 Ų3437%0.36917%0.168SC..SBendtrans-81.4-13.6169.6-63.7-166141.300112.3V505 K621V505-E592 HydrophobicContact CG1-CG 4.43Å; E592-K621 IonicContact OE1-NZ 3.95Å; E592-K621 PolarHBondContact OE1-NZ 2.85Å
593N84.6Confident88.2Confident27 Ų2732.5 Ų32.514%0.14416%0.159CC..  trans-93.9106.7-177.7-172.3-13000111.2E548 T591 E595 L596 A597E548-N593 PolarHBondContact OE1-ND2 3.04Å; E548-N593 VanDerWaalsContact OE1-ND2 3.1Å; T591-N593 VanDerWaalsContact C-N 3.31Å; T591-N593 WeakPolarHBondContact CG2-O 3.49Å; T591-N593 PolarHBondContact OG1-N 3.12Å; N593-E595 PolarHBondContact OD1-N 3.33Å; N593-E595 VanDerWaalsContact OD1-N 3.17Å; N593-L596 HydrophobicContact CB-CB 3.9Å; N593-L596 PolarHBondContact O-N 2.93Å; N593-L596 PolarHBondContact OD1-N 2.9Å; N593-A597 PolarHBondContact O-N 2.74Å; N593-A597 VanDerWaalsContact O-N 3.07Å
594L85.8Confident88.4Confident8 Ų827.1 Ų27.14%0.04213%0.131CC..Hα-helixtrans-64.2-41.1179.6179.668.6000113L596 A597 A598 F619 L622 I711 H714 V715 L718L594-L596 VanDerWaalsContact C-N 3.32Å; L594-L596 PolarHBondContact O-N 2.93Å; L594-A597 WeakPolarHBondContact O-CB 3.25Å; L594-A597 PolarHBondContact O-N 3Å; L594-A598 WeakPolarHBondContact O-CB 3.19Å; L594-A598 PolarHBondContact O-N 2.8Å; L594-F619 HydrophobicContact CB-CE1 4.4Å; L594-F619 HydrophobicContact CD1-CD2 3.98Å; L594-F619 HydrophobicContact CD1-CE1 4.47Å; L594-F619 HydrophobicContact CD1-CE2 3.68Å; L594-F619 HydrophobicContact CD1-CZ 3.96Å; L594-L622 HydrophobicContact CB-CD1 3.78Å; L594-L622 HydrophobicContact CD2-CD1 3.95Å; L594-L622 HydrophobicContact CD2-CD2 4.18Å; L594-L622 HydrophobicContact CG-CD1 4.48Å; L594-I711 HydrophobicContact CD2-CG2 4.24Å; L594-H714 HydrophobicContact CD2-CB 3.73Å; L594-H714 HydrophobicContact CG-CB 3.78Å; L594-V715 HydrophobicContact CD1-CG2 4.36Å; L594-V715 HydrophobicContact CD2-CG2 3.97Å; L594-L718 HydrophobicContact CD1-CD1 3.7Å; L594-L718 HydrophobicContact CD1-CG 4.41Å
595E85.1Confident88.6Confident57 Ų5719.8 Ų19.827%0.26610%0.099SC..Hα-helixtrans-61-44.4178.5179-176.5178.900110.4N593 A598 N599N593-E595 PolarHBondContact OD1-N 3.33Å; N593-E595 VanDerWaalsContact OD1-N 3.17Å; E595-A598 PolarHBondContact O-N 3.16Å; E595-N599 WeakPolarHBondContact O-CB 3.48Å; E595-N599 VanDerWaalsContact O-CG 3.25Å; E595-N599 PolarHBondContact O-N 2.86Å; E595-N599 PolarHBondContact O-ND2 2.93Å
596L88.1Confident88.6Confident0 Ų026.2 Ų26.20%012%0.123CC..Hα-helixtrans-61.9-45.2175.417856.7000111.6F484 Y487 L577 N593 L594 A598 N599 L600F484-L596 HydrophobicContact CD1-CD1 4.11Å; F484-L596 HydrophobicContact CE1-CD1 4.13Å; Y487-L596 HydrophobicContact CD1-CD2 4.48Å; Y487-L596 HydrophobicContact CE1-CD1 4Å; Y487-L596 HydrophobicContact CE1-CD2 3.49Å; Y487-L596 VanDerWaalsContact CE1-CD2 3.49Å; Y487-L596 HydrophobicContact CE1-CG 4.38Å; Y487-L596 HydrophobicContact CE2-CD1 4.21Å; Y487-L596 WeakPolarHBondContact OH-CD1 3.43Å; L577-L596 HydrophobicContact CD1-CD2 4.37Å; L577-L596 HydrophobicContact CD2-CD2 4.26Å; N593-L596 HydrophobicContact CB-CB 3.9Å; N593-L596 PolarHBondContact O-N 2.93Å; N593-L596 PolarHBondContact OD1-N 2.9Å; L594-L596 VanDerWaalsContact C-N 3.32Å; L594-L596 PolarHBondContact O-N 2.93Å; L596-A598 VanDerWaalsContact C-N 3.32Å; L596-A598 PolarHBondContact O-N 2.79Å; L596-N599 PolarHBondContact O-N 2.87Å; L596-L600 HydrophobicContact CD1-CD1 4.02Å; L596-L600 HydrophobicContact CD1-CG 4.02Å; L596-L600 HydrophobicContact CG-CD1 3.96Å; L596-L600 HydrophobicContact CG-CG 4.41Å; L596-L600 WeakPolarHBondContact O-CB 3.38Å; L596-L600 VanDerWaalsContact O-CG 3.25Å; L596-L600 WeakPolarHBondContact O-CG 3.44Å; L596-L600 PolarHBondContact O-N 3.33Å
597A89.6Confident88.4Confident0 Ų025.7 Ų25.70%012%0.12CC..Hα-helixtrans-58.6-45.6177.200000111.3V509 T591 N593 L594 L600 V601 F619 L718V509-A597 HydrophobicContact CG2-CB 3.95Å; T591-A597 HydrophobicContact CG2-CB 3.71Å; N593-A597 PolarHBondContact O-N 2.74Å; N593-A597 VanDerWaalsContact O-N 3.07Å; L594-A597 WeakPolarHBondContact O-CB 3.25Å; L594-A597 PolarHBondContact O-N 3Å; A597-L600 PolarHBondContact O-N 3.04Å; A597-V601 VanDerWaalsContact O-CG2 3.27Å; A597-V601 WeakPolarHBondContact O-CG2 3.27Å; A597-V601 PolarHBondContact O-N 2.9Å; A597-F619 HydrophobicContact CB-CZ 4.05Å; A597-L718 HydrophobicContact CB-CD2 3.95Å
598A86.6Confident88.3Confident1 Ų126.4 Ų26.41%0.00812%0.123CC..Hα-helixtrans-59.2-49.2175.300000112.2L594 E595 L596 L600 V601 Q602 H714 L718L594-A598 WeakPolarHBondContact O-CB 3.19Å; L594-A598 PolarHBondContact O-N 2.8Å; E595-A598 PolarHBondContact O-N 3.16Å; L596-A598 VanDerWaalsContact C-N 3.32Å; L596-A598 PolarHBondContact O-N 2.79Å; A598-L600 VanDerWaalsContact C-N 3.33Å; A598-L600 PolarHBondContact O-N 3.03Å; A598-V601 PolarHBondContact O-N 2.97Å; A598-Q602 WeakPolarHBondContact O-CB 3.29Å; A598-Q602 WeakPolarHBondContact O-CG 3.38Å; A598-Q602 PolarHBondContact O-N 2.65Å; A598-H714 HydrophobicContact CB-CB 4.37Å; A598-L718 HydrophobicContact CB-CD2 4.31Å
599N87.9Confident87.9Confident43 Ų4331.3 Ų31.323%0.2315%0.148CC..Hα-helixtrans-61.3-40.4179.5-70.6-20.9000112.4F484 E595 L596 S603F484-N599 HydrophobicContact CE1-CB 4.03Å; F484-N599 HydrophobicContact CZ-CB 4.28Å; E595-N599 WeakPolarHBondContact O-CB 3.48Å; E595-N599 VanDerWaalsContact O-CG 3.25Å; E595-N599 PolarHBondContact O-N 2.86Å; E595-N599 PolarHBondContact O-ND2 2.93Å; L596-N599 PolarHBondContact O-N 2.87Å; N599-S603 VanDerWaalsContact O-CB 3.29Å; N599-S603 WeakPolarHBondContact O-CB 3.36Å; N599-S603 PolarHBondContact O-N 3.49Å
600L91.4Very high87.4Confident0 Ų032.8 Ų32.80%016%0.156CC..Hα-helixtrans-65.2-49.1176.3-69.9169.3000111.2F484 W523 F528 L577 I579 I589 L596 A597 A598 Q602 S603 I604F484-L600 HydrophobicContact CD1-CD2 4.05Å; F484-L600 HydrophobicContact CD2-CD2 4.07Å; F484-L600 HydrophobicContact CE1-CD2 3.78Å; F484-L600 HydrophobicContact CE1-CG 4.19Å; F484-L600 HydrophobicContact CE2-CD2 3.83Å; F484-L600 HydrophobicContact CG-CD2 4.2Å; F484-L600 HydrophobicContact CZ-CD2 3.67Å; F484-L600 HydrophobicContact CZ-CG 4.25Å; W523-L600 HydrophobicContact CH2-CD2 3.72Å; F528-L600 HydrophobicContact CE2-CD2 4.38Å; F528-L600 HydrophobicContact CZ-CD2 3.96Å; L577-L600 HydrophobicContact CD1-CD1 3.65Å; L577-L600 HydrophobicContact CD2-CD1 3.97Å; L577-L600 HydrophobicContact CG-CD1 4.46Å; I579-L600 HydrophobicContact CD1-CD1 4.41Å; I589-L600 HydrophobicContact CD1-CB 3.99Å; I589-L600 HydrophobicContact CD1-CD1 4.48Å; I589-L600 HydrophobicContact CG2-CD1 3.97Å; L596-L600 HydrophobicContact CD1-CD1 4.02Å; L596-L600 HydrophobicContact CD1-CG 4.02Å; L596-L600 HydrophobicContact CG-CD1 3.96Å; L596-L600 HydrophobicContact CG-CG 4.41Å; L596-L600 WeakPolarHBondContact O-CB 3.38Å; L596-L600 VanDerWaalsContact O-CG 3.25Å; L596-L600 WeakPolarHBondContact O-CG 3.44Å; L596-L600 PolarHBondContact O-N 3.33Å; A597-L600 PolarHBondContact O-N 3.04Å; A598-L600 VanDerWaalsContact C-N 3.33Å; A598-L600 PolarHBondContact O-N 3.03Å; L600-Q602 VanDerWaalsContact C-N 3.35Å; L600-Q602 PolarHBondContact O-N 3.12Å; L600-S603 PolarHBondContact O-N 2.83Å; L600-I604 WeakPolarHBondContact O-CB 3.38Å; L600-I604 WeakPolarHBondContact O-CD1 3.39Å; L600-I604 WeakPolarHBondContact O-CG1 3.34Å; L600-I604 PolarHBondContact O-N 2.76Å
601V90.4Very high86.6Confident0 Ų034.8 Ų34.80%017%0.173CC..Hα-helixtrans-59.5-47.4179.3174.20000110.5V509 F511 I589 A597 A598 S603 I604 S605 L613 L718V509-V601 HydrophobicContact CG1-CG2 4.31Å; F511-V601 HydrophobicContact CD1-CG2 4.3Å; F511-V601 HydrophobicContact CE1-CG2 3.74Å; F511-V601 HydrophobicContact CZ-CG2 4.32Å; I589-V601 HydrophobicContact CD1-CG2 4.26Å; A597-V601 VanDerWaalsContact O-CG2 3.27Å; A597-V601 WeakPolarHBondContact O-CG2 3.27Å; A597-V601 PolarHBondContact O-N 2.9Å; A598-V601 PolarHBondContact O-N 2.97Å; V601-S603 PolarHBondContact O-N 2.92Å; V601-I604 PolarHBondContact O-N 3.14Å; V601-S605 WeakPolarHBondContact O-CB 3.35Å; V601-S605 PolarHBondContact O-N 3.12Å; V601-S605 PolarHBondContact O-OG 3.24Å; V601-S605 VanDerWaalsContact O-OG 3.12Å; V601-L613 HydrophobicContact CG1-CD2 3.73Å; V601-L718 WeakPolarHBondContact CG1-O 3.29Å; V601-L718 HydrophobicContact CG2-CD2 4.1Å
602Q86.4Confident86.1Confident22 Ų2240.1 Ų40.110%0.10320%0.198CC..Hα-helixtrans-62.4-43.3178.7-71.9-61.2-34.400112.8A598 L600 S605 R606 S717 R719A598-Q602 WeakPolarHBondContact O-CB 3.29Å; A598-Q602 WeakPolarHBondContact O-CG 3.38Å; A598-Q602 PolarHBondContact O-N 2.65Å; L600-Q602 VanDerWaalsContact C-N 3.35Å; L600-Q602 PolarHBondContact O-N 3.12Å; Q602-S605 PolarHBondContact O-N 2.8Å; Q602-R606 WeakPolarHBondContact O-CB 3.39Å; Q602-R606 VanDerWaalsContact O-CG 3.26Å; Q602-R606 WeakPolarHBondContact O-CG 3.44Å; Q602-R606 PolarHBondContact O-N 3.48Å; Q602-S717 WeakPolarHBondContact CG-O 3.17Å; Q602-S717 PolarHBondContact NE2-O 2.79Å; Q602-R719 PolarHBondContact NE2-O 2.87Å
603S88.9Confident86.1Confident12 Ų1236.7 Ų36.78%0.08418%0.182CC..Hα-helixtrans-67.4-38.3178.1-171.40000111.9Q483 W523 N599 L600 V601 R606 H607Q483-S603 PolarHBondContact OE1-OG 2.82Å; Q483-S603 VanDerWaalsContact OE1-OG 3.06Å; W523-S603 PolarHBondContact NE1-OG 3.02Å; N599-S603 VanDerWaalsContact O-CB 3.29Å; N599-S603 WeakPolarHBondContact O-CB 3.36Å; N599-S603 PolarHBondContact O-N 3.49Å; L600-S603 PolarHBondContact O-N 2.83Å; V601-S603 PolarHBondContact O-N 2.92Å; S603-R606 PolarHBondContact O-N 2.93Å; S603-H607 WeakPolarHBondContact O-CB 3.29Å; S603-H607 PolarHBondContact O-N 3.13Å
604I90.4Very high86Confident0 Ų039.9 Ų39.90%021%0.206CC..Hα-helixtrans-64-47.1173.8-69.4167000110.8F511 L520 W523 I589 L600 V601 R606 H607 F608F511-I604 HydrophobicContact CE2-CG2 4.31Å; F511-I604 HydrophobicContact CZ-CD1 4.26Å; F511-I604 HydrophobicContact CZ-CG2 4.43Å; L520-I604 HydrophobicContact CD1-CD1 4.17Å; L520-I604 HydrophobicContact CD1-CG1 4.21Å; W523-I604 HydrophobicContact CD2-CG1 4.09Å; W523-I604 HydrophobicContact CE3-CG1 4Å; W523-I604 HydrophobicContact CH2-CD1 4.07Å; W523-I604 HydrophobicContact CH2-CG1 3.67Å; W523-I604 HydrophobicContact CZ2-CG1 3.75Å; W523-I604 HydrophobicContact CZ3-CD1 4.02Å; W523-I604 HydrophobicContact CZ3-CG1 3.79Å; I589-I604 HydrophobicContact CD1-CD1 4.08Å; L600-I604 WeakPolarHBondContact O-CB 3.38Å; L600-I604 WeakPolarHBondContact O-CD1 3.39Å; L600-I604 WeakPolarHBondContact O-CG1 3.34Å; L600-I604 PolarHBondContact O-N 2.76Å; V601-I604 PolarHBondContact O-N 3.14Å; I604-R606 VanDerWaalsContact C-N 3.31Å; I604-R606 PolarHBondContact O-N 3.38Å; I604-H607 PolarHBondContact O-N 2.89Å; I604-F608 HydrophobicContact CG2-CD2 3.55Å; I604-F608 HydrophobicContact CG2-CE2 3.45Å; I604-F608 VanDerWaalsContact CG2-CE2 3.45Å; I604-F608 HydrophobicContact CG2-CZ 4.5Å; I604-F608 PolarHBondContact O-N 2.89Å
605S88.7Confident86.1Confident1 Ų140.5 Ų40.51%0.00721%0.211CC..Hα-helixtrans-58.3-42.9176.5-68.40000111.9V601 Q602 N609 I610V601-S605 WeakPolarHBondContact O-CB 3.35Å; V601-S605 PolarHBondContact O-N 3.12Å; V601-S605 PolarHBondContact O-OG 3.24Å; V601-S605 VanDerWaalsContact O-OG 3.12Å; Q602-S605 PolarHBondContact O-N 2.8Å; S605-N609 PolarHBondContact O-N 3.17Å; S605-I610 PolarHBondContact O-N 3.18Å
606R86.2Confident86.2Confident136 Ų13642.2 Ų42.251%0.51323%0.226SC..Hα-helixtrans-64.2-43.4175.3-71.6171.7-167.9174.53.3111.9Q602 S603 I604 F608 N609Q602-R606 WeakPolarHBondContact O-CB 3.39Å; Q602-R606 VanDerWaalsContact O-CG 3.26Å; Q602-R606 WeakPolarHBondContact O-CG 3.44Å; Q602-R606 PolarHBondContact O-N 3.48Å; S603-R606 PolarHBondContact O-N 2.93Å; I604-R606 VanDerWaalsContact C-N 3.31Å; I604-R606 PolarHBondContact O-N 3.38Å; R606-F608 VanDerWaalsContact C-N 3.32Å; R606-F608 PolarHBondContact O-N 3.18Å; R606-N609 PolarHBondContact O-N 2.73Å; R606-N609 PolarHBondContact O-OD1 3.4Å
607H88.3Confident86.2Confident52 Ų5244.3 Ų44.324%0.24124%0.24CC..Hα-helixtrans-65.7-35.3-179.5-176.680.1000113.2W523 S603 I604W523-H607 AromaticContact CD1-CD2 3.83Å; W523-H607 AromaticContact CD1-CG 3.3Å; W523-H607 AromaticContact CD1-ND1 3.59Å; W523-H607 HydrophobicContact CG-CB 4.24Å; W523-H607 AromaticContact CG-CG 3.96Å; S603-H607 WeakPolarHBondContact O-CB 3.29Å; S603-H607 PolarHBondContact O-N 3.13Å; I604-H607 PolarHBondContact O-N 2.89Å
608F88.6Confident86.1Confident15 Ų1548.6 Ų48.67%0.06626%0.263CS..THydrogen-bonded Turntrans-88.90.9176.8-63.4-36.1000113.8V513 E515 R519 L520 I587 I604 R606 I610V513-F608 HydrophobicContact CG1-CD2 3.89Å; V513-F608 HydrophobicContact CG1-CE2 4.32Å; E515-F608 HydrophobicContact CG-CD1 4.21Å; E515-F608 HydrophobicContact CG-CG 4.35Å; R519-F608 HydrophobicContact CB-CE1 3.69Å; R519-F608 HydrophobicContact CB-CZ 4.4Å; L520-F608 HydrophobicContact CB-CZ 4.1Å; L520-F608 HydrophobicContact CD1-CE2 4.33Å; L520-F608 HydrophobicContact CD1-CZ 4.14Å; I587-F608 HydrophobicContact CD1-CE2 4.5Å; I604-F608 HydrophobicContact CG2-CD2 3.55Å; I604-F608 HydrophobicContact CG2-CE2 3.45Å; I604-F608 VanDerWaalsContact CG2-CE2 3.45Å; I604-F608 HydrophobicContact CG2-CZ 4.5Å; I604-F608 PolarHBondContact O-N 2.89Å; R606-F608 VanDerWaalsContact C-N 3.32Å; R606-F608 PolarHBondContact O-N 3.18Å; F608-I610 HydrophobicContact CB-CD1 3.66Å; F608-I610 HydrophobicContact CB-CG1 3.67Å; F608-I610 HydrophobicContact CD2-CD1 4.04Å; F608-I610 HydrophobicContact CG-CD1 4.35Å; F608-I610 PolarHBondContact O-N 3.1Å
609N85.6Confident86.1Confident140 Ų14048.6 Ų48.675%0.74926%0.263SS*.THydrogen-bonded Turntrans52.340.3-174.2-65.1-32.4000113S605 R606S605-N609 PolarHBondContact O-N 3.17Å; R606-N609 PolarHBondContact O-N 2.73Å; R606-N609 PolarHBondContact O-OD1 3.4Å
610I81.6Confident85.9Confident31 Ų3148.5 Ų48.516%0.15926%0.264CS..  trans-83.5119.9179.2-59.6166.7000108.8V513 S605 F608 E612 L613V513-I610 HydrophobicContact CB-CD1 4.37Å; V513-I610 HydrophobicContact CG1-CD1 3.52Å; V513-I610 HydrophobicContact CG2-CD1 3.94Å; S605-I610 PolarHBondContact O-N 3.18Å; F608-I610 HydrophobicContact CB-CD1 3.66Å; F608-I610 HydrophobicContact CB-CG1 3.67Å; F608-I610 HydrophobicContact CD2-CD1 4.04Å; F608-I610 HydrophobicContact CG-CD1 4.35Å; F608-I610 PolarHBondContact O-N 3.1Å; I610-E612 WeakPolarHBondContact CG2-O 2.94Å; I610-L613 HydrophobicContact CG2-CB 4.09Å; I610-L613 HydrophobicContact CG2-CD1 4.49Å
611T74Confident85.5Confident103 Ų10354.9 Ų54.963%0.63229%0.292SS*.SBendtrans-80.5-37.5177.251.60000112.3N721 S722T611-N721 PolarHBondContact O-N 3.46Å; T611-S722 PolarHBondContact O-N 2.97Å
612E77.7Confident85.1Confident116 Ų11656.5 Ų56.554%0.54230%0.301SS..  trans-127.9121.8-176.8-46.7-148.8126.100110.3I610 S722 F723I610-E612 WeakPolarHBondContact CG2-O 2.94Å; E612-S722 VanDerWaalsContact CD-OG 3.22Å; E612-S722 WeakPolarHBondContact CG-OG 3.5Å; E612-S722 WeakPolarHBondContact OE1-CB 3.32Å; E612-S722 PolarHBondContact OE1-OG 3.06Å; E612-F723 HydrophobicContact CB-CD2 4.21Å; E612-F723 HydrophobicContact CB-CE2 4.04Å
613L81.9Confident85Confident7 Ų758.4 Ų58.44%0.03731%0.309CS..  trans-135.3121.7176.2-173.875.7000109.9F511 V513 V601 I610 G720F511-L613 HydrophobicContact CB-CD1 4.23Å; F511-L613 HydrophobicContact CB-CD2 4.29Å; F511-L613 HydrophobicContact CB-CG 4.31Å; F511-L613 HydrophobicContact CD2-CD1 3.85Å; F511-L613 HydrophobicContact CD2-CD2 3.68Å; F511-L613 HydrophobicContact CD2-CG 4.25Å; F511-L613 HydrophobicContact CE2-CD2 4.08Å; F511-L613 HydrophobicContact CG-CD1 4.42Å; F511-L613 HydrophobicContact CG-CD2 3.99Å; F511-L613 HydrophobicContact CG-CG 4.5Å; V513-L613 HydrophobicContact CG2-CD1 4.23Å; V601-L613 HydrophobicContact CG1-CD2 3.73Å; I610-L613 HydrophobicContact CG2-CB 4.09Å; I610-L613 HydrophobicContact CG2-CD1 4.49Å; L613-G720 PolarHBondContact O-N 3.11Å
614S84.1Confident84.8Confident93 Ų9362.3 Ų62.365%0.6533%0.328SS*.  trans-92.7132.9168.857.10000110.1F511F511-S614 WeakPolarHBondContact CB-O 3.14Å
615S87Confident84.4Confident22 Ų2263.7 Ų63.715%0.15434%0.337CS..EExtended strand (participates in β ladder)trans-127.8143.3-179.764.50000110.7F510 L718F510-S615 CarbonylContact O-C 3.48Å; F510-S615 WeakPolarHBondContact O-CA 3.42Å; S615-L718 VanDerWaalsContact CB-O 3.3Å; S615-L718 WeakPolarHBondContact CB-O 3.44Å; S615-L718 PolarHBondContact OG-O 3.15Å
616T87.8Confident84.2Confident93 Ų9365 Ų6557%0.57134%0.344SS*.EExtended strand (participates in β ladder)trans-103.3132.6164.954.20000109V509 F510V509-T616 CarbonylContact C-O 3.6Å; V509-T616 WeakPolarHBondContact CA-O 3.31Å; F510-T616 WeakPolarHBondContact CD1-OG1 2.93Å; F510-T616 PolarHBondContact N-O 2.87Å; F510-T616 PolarHBondContact O-N 2.69Å; F510-T616 PolarHBondContact O-OG1 3.5Å
617C88.2Confident84.2Confident43 Ų4364.9 Ų64.929%0.29135%0.349SS..EExtended strand (participates in β ladder)trans-128.2143.6-179.963.40000110.8G508 V509 F619 L718G508-C617 WeakPolarHBondContact O-CA 3.39Å; V509-C617 HydrophobicContact CG2-CB 4.07Å; C617-F619 HydrophobicContact CB-CD2 4.13Å; C617-F619 HydrophobicContact CB-CE2 4Å; C617-L718 HydrophobicContact CB-CD1 3.7Å
618D87.3Confident84.1Confident90 Ų9066.5 Ų66.548%0.48136%0.357SS..EExtended strand (participates in β ladder)trans-133.1121.3172.9-173.211.7000108.6S507 G508 P620S507-D618 CarbonylContact C-O 3.01Å; S507-D618 WeakPolarHBondContact CA-O 3.25Å; G508-D618 PolarHBondContact N-O 2.78Å; G508-D618 PolarHBondContact O-N 2.5Å; D618-P620 WeakPolarHBondContact OD1-CD 2.88Å
619F86.1Confident83.9Confident1 Ų166 Ų660%0.00436%0.355CS..  trans-142.470.5-178.7-73.3-90.3000109.8V509 T591 L594 A597 C617 K621 L622 F623 L718V509-F619 HydrophobicContact CG2-CE2 3.71Å; V509-F619 HydrophobicContact CG2-CZ 3.96Å; T591-F619 WeakPolarHBondContact O-CE1 2.92Å; L594-F619 HydrophobicContact CB-CE1 4.4Å; L594-F619 HydrophobicContact CD1-CD2 3.98Å; L594-F619 HydrophobicContact CD1-CE1 4.47Å; L594-F619 HydrophobicContact CD1-CE2 3.68Å; L594-F619 HydrophobicContact CD1-CZ 3.96Å; A597-F619 HydrophobicContact CB-CZ 4.05Å; C617-F619 HydrophobicContact CB-CD2 4.13Å; C617-F619 HydrophobicContact CB-CE2 4Å; F619-K621 PolarHBondContact O-N 2.91Å; F619-L622 HydrophobicContact CB-CB 4.06Å; F619-L622 PolarHBondContact O-N 3.05Å; F619-L622 VanDerWaalsContact O-N 3.13Å; F619-F623 HydrophobicContact CB-CD2 4.14Å; F619-F623 HydrophobicContact CB-CE2 3.96Å; F619-F623 WeakPolarHBondContact O-CD2 3.4Å; F619-F623 PolarHBondContact O-N 2.9Å; F619-L718 HydrophobicContact CE2-CD1 4.34Å
620P84.2Confident83.9Confident41 Ų4162.5 Ų62.527%0.26634%0.335SS..Hα-helixtrans-63.3-41.5-164.721.9-32.4000113.4R506 D618 L622 F623 N624R506-P620 HydrophobicContact CB-CG 4.29Å; D618-P620 WeakPolarHBondContact OD1-CD 2.88Å; P620-L622 VanDerWaalsContact C-N 3.32Å; P620-L622 PolarHBondContact O-N 3.46Å; P620-F623 PolarHBondContact O-N 2.69Å; P620-N624 VanDerWaalsContact O-CG 3.23Å; P620-N624 PolarHBondContact O-N 2.95Å; P620-N624 PolarHBondContact O-OD1 3.45Å
621K82.2Confident84.1Confident135 Ų13567.9 Ų67.959%0.58736%0.36SS*.Hα-helixtrans-61.7-42.4177.3-66.5178-175.5167.50111.4E592 F619 T625E592-K621 IonicContact OE1-NZ 3.95Å; E592-K621 PolarHBondContact OE1-NZ 2.85Å; F619-K621 PolarHBondContact O-N 2.91Å; K621-T625 PolarHBondContact O-N 3.42Å; K621-T625 VanDerWaalsContact O-N 3.12Å; K621-T625 PolarHBondContact O-OG1 2.88Å; K621-T625 VanDerWaalsContact O-OG1 3.05Å
622L81.8Confident84.5Confident34 Ų3465.6 Ų65.618%0.17834%0.342CS..Hα-helixtrans-72.1-40.5-177.1-168.9153000111.2L594 F619 P620 T625 L626 I711L594-L622 HydrophobicContact CB-CD1 3.78Å; L594-L622 HydrophobicContact CD2-CD1 3.95Å; L594-L622 HydrophobicContact CD2-CD2 4.18Å; L594-L622 HydrophobicContact CG-CD1 4.48Å; F619-L622 HydrophobicContact CB-CB 4.06Å; F619-L622 PolarHBondContact O-N 3.05Å; F619-L622 VanDerWaalsContact O-N 3.13Å; P620-L622 VanDerWaalsContact C-N 3.32Å; P620-L622 PolarHBondContact O-N 3.46Å; L622-T625 CarbonylContact O-C 3.53Å; L622-T625 PolarHBondContact O-N 3.3Å; L622-L626 WeakPolarHBondContact O-CB 3.43Å; L622-L626 PolarHBondContact O-N 3.42Å; L622-I711 HydrophobicContact CD2-CD1 4.06Å; L622-I711 HydrophobicContact CD2-CG1 4.15Å; L622-I711 HydrophobicContact CD2-CG2 3.65Å
623F84Confident84.7Confident62 Ų6260.9 Ų60.927%0.27232%0.323SS..Hα-helixtrans-66.3-36.9176.3-70.3-52.5000112.5F619 P620 L626 E627 V715F619-F623 HydrophobicContact CB-CD2 4.14Å; F619-F623 HydrophobicContact CB-CE2 3.96Å; F619-F623 WeakPolarHBondContact O-CD2 3.4Å; F619-F623 PolarHBondContact O-N 2.9Å; P620-F623 PolarHBondContact O-N 2.69Å; F623-L626 HydrophobicContact CD1-CD2 4.2Å; F623-L626 WeakPolarHBondContact O-CB 3.38Å; F623-L626 PolarHBondContact O-N 3.48Å; F623-L626 VanDerWaalsContact O-N 3.16Å; F623-E627 PolarHBondContact O-N 3.21Å; F623-V715 HydrophobicContact CE1-CG2 4.44Å
624N84.8Confident84.6Confident93 Ų9365.1 Ų65.150%0.49735%0.345SS..Hα-helixtrans-62.3-44.5171.2-68.2-1.9000111.5P620 L626 E627 E628P620-N624 VanDerWaalsContact O-CG 3.23Å; P620-N624 PolarHBondContact O-N 2.95Å; P620-N624 PolarHBondContact O-OD1 3.45Å; N624-L626 VanDerWaalsContact C-N 3.27Å; N624-L626 PolarHBondContact O-N 2.86Å; N624-E627 PolarHBondContact O-N 2.93Å; N624-E628 PolarHBondContact O-N 3.34Å; N624-E628 VanDerWaalsContact O-N 3.11Å
625T83Confident84.6Confident29 Ų2962.8 Ų62.818%0.17833%0.332CS..Hα-helixtrans-62.4-34.9174.1-53.90000111.8I559 K621 L622 E628 L629I559-T625 HydrophobicContact CG2-CG2 4.15Å; K621-T625 PolarHBondContact O-N 3.42Å; K621-T625 VanDerWaalsContact O-N 3.12Å; K621-T625 PolarHBondContact O-OG1 2.88Å; K621-T625 VanDerWaalsContact O-OG1 3.05Å; L622-T625 CarbonylContact O-C 3.53Å; L622-T625 PolarHBondContact O-N 3.3Å; T625-E628 PolarHBondContact O-N 3.45Å; T625-L629 HydrophobicContact CG2-CD1 4.12Å; T625-L629 HydrophobicContact CG2-CG 4.33Å; T625-L629 WeakPolarHBondContact O-CB 3.19Å; T625-L629 WeakPolarHBondContact O-CG 3.29Å; T625-L629 PolarHBondContact O-N 3.28Å
626L84.4Confident84.3Confident29 Ų2964.3 Ų64.315%0.15233%0.334CS..Hα-helixtrans-64.1-43.3175.7-178.867.9000111.6L622 F623 N624 L629 I630 I708 I711L622-L626 WeakPolarHBondContact O-CB 3.43Å; L622-L626 PolarHBondContact O-N 3.42Å; F623-L626 HydrophobicContact CD1-CD2 4.2Å; F623-L626 WeakPolarHBondContact O-CB 3.38Å; F623-L626 PolarHBondContact O-N 3.48Å; F623-L626 VanDerWaalsContact O-N 3.16Å; N624-L626 VanDerWaalsContact C-N 3.27Å; N624-L626 PolarHBondContact O-N 2.86Å; L626-L629 PolarHBondContact O-N 3.11Å; L626-I630 HydrophobicContact CD1-CD1 4.36Å; L626-I630 HydrophobicContact CG-CD1 4.03Å; L626-I630 VanDerWaalsContact O-CG1 3.29Å; L626-I630 WeakPolarHBondContact O-CG1 3.47Å; L626-I630 PolarHBondContact O-N 3.35Å; L626-I708 HydrophobicContact CD1-CB 4.43Å; L626-I708 HydrophobicContact CD1-CG1 4.13Å; L626-I708 HydrophobicContact CD1-CG2 4.27Å; L626-I711 HydrophobicContact CD1-CB 4.32Å; L626-I711 HydrophobicContact CD1-CD1 3.91Å; L626-I711 HydrophobicContact CD1-CG2 4.16Å; L626-I711 HydrophobicContact CD2-CG2 4.18Å
627E86.6Confident83.8Confident134 Ų13461.3 Ų61.363%0.62632%0.317SS*.Hα-helixtrans-59.2-47.3174.7-73-179.8-179.300111.3F623 N624 L629 I630 E631F623-E627 PolarHBondContact O-N 3.21Å; N624-E627 PolarHBondContact O-N 2.93Å; E627-L629 VanDerWaalsContact C-N 3.33Å; E627-L629 PolarHBondContact O-N 2.88Å; E627-I630 PolarHBondContact O-N 3.23Å; E627-E631 PolarHBondContact O-N 2.86Å
628E86.2Confident83.4Confident86 Ų8664.1 Ų64.140%0.40233%0.329SS..Hα-helixtrans-59.6-42.4175.4-69.3175.6-177.100111.9N624 T625 I630 E631 M632N624-E628 PolarHBondContact O-N 3.34Å; N624-E628 VanDerWaalsContact O-N 3.11Å; T625-E628 PolarHBondContact O-N 3.45Å; E628-I630 VanDerWaalsContact C-N 3.35Å; E628-I630 PolarHBondContact O-N 2.9Å; E628-E631 PolarHBondContact O-N 2.82Å; E628-M632 WeakPolarHBondContact O-CB 3.39Å; E628-M632 VanDerWaalsContact O-CG 3.26Å; E628-M632 WeakPolarHBondContact O-CG 3.35Å; E628-M632 PolarHBondContact O-N 3.23Å
629L83.5Confident83.3Confident4 Ų462.7 Ų62.72%0.02132%0.323CS..Hα-helixtrans-63.1-40.3178.2-75169.2000112.1I559 T625 L626 E627 S633 Y704 I708 I711I559-L629 HydrophobicContact CD1-CD1 4.44Å; I559-L629 HydrophobicContact CD1-CD2 4.21Å; T625-L629 HydrophobicContact CG2-CD1 4.12Å; T625-L629 HydrophobicContact CG2-CG 4.33Å; T625-L629 WeakPolarHBondContact O-CB 3.19Å; T625-L629 WeakPolarHBondContact O-CG 3.29Å; T625-L629 PolarHBondContact O-N 3.28Å; L626-L629 PolarHBondContact O-N 3.11Å; E627-L629 VanDerWaalsContact C-N 3.33Å; E627-L629 PolarHBondContact O-N 2.88Å; L629-S633 VanDerWaalsContact O-CB 3.27Å; L629-S633 WeakPolarHBondContact O-CB 3.39Å; L629-S633 PolarHBondContact O-N 3.47Å; L629-Y704 HydrophobicContact CD2-CD1 3.37Å; L629-Y704 HydrophobicContact CD2-CE1 3.9Å; L629-Y704 HydrophobicContact CD2-CG 4.34Å; L629-I708 HydrophobicContact CB-CD1 4.3Å; L629-I708 HydrophobicContact CB-CG1 4.04Å; L629-I711 HydrophobicContact CD1-CD1 4.2Å
630I85Confident82.9Confident66 Ų6664 Ų6434%0.33833%0.329SS..Hα-helixtrans-66.2-45177.5-69.6165.4000110.1L626 E627 E628 S633 N634 I708L626-I630 HydrophobicContact CD1-CD1 4.36Å; L626-I630 HydrophobicContact CG-CD1 4.03Å; L626-I630 VanDerWaalsContact O-CG1 3.29Å; L626-I630 WeakPolarHBondContact O-CG1 3.47Å; L626-I630 PolarHBondContact O-N 3.35Å; E627-I630 PolarHBondContact O-N 3.23Å; E628-I630 VanDerWaalsContact C-N 3.35Å; E628-I630 PolarHBondContact O-N 2.9Å; I630-S633 PolarHBondContact O-N 2.97Å; I630-N634 PolarHBondContact O-N 3.25Å; I630-N634 PolarHBondContact O-ND2 2.94Å; I630-I708 HydrophobicContact CG1-CD1 3.96Å; I630-I708 HydrophobicContact CG1-CG1 4.36Å
631E85.9Confident82.7Confident144 Ų14467 Ų6767%0.67334%0.34SS*.Hα-helixtrans-61.1-47.2177.6-169.1177.7-176.800111.3E627 E628 S633 N634 A635E627-E631 PolarHBondContact O-N 2.86Å; E628-E631 PolarHBondContact O-N 2.82Å; E631-S633 PolarHBondContact O-N 3.47Å; E631-N634 PolarHBondContact O-N 2.89Å; E631-A635 PolarHBondContact O-N 2.82Å
632M83.7Confident82.8Confident55 Ų5566.5 Ų66.527%0.27134%0.34SS..Hα-helixtrans-62.3-43176.7-70.5-59.3-60.800111.8E628 N634 A635 Y636E628-M632 WeakPolarHBondContact O-CB 3.39Å; E628-M632 VanDerWaalsContact O-CG 3.26Å; E628-M632 WeakPolarHBondContact O-CG 3.35Å; E628-M632 PolarHBondContact O-N 3.23Å; M632-N634 VanDerWaalsContact C-N 3.31Å; M632-N634 PolarHBondContact O-N 3.37Å; M632-A635 PolarHBondContact O-N 3.31Å; M632-Y636 HydrophobicContact CE-CD2 4.26Å; M632-Y636 HydrophobicContact CE-CE2 3.64Å; M632-Y636 VanDerWaalsContact O-CD2 3.26Å; M632-Y636 WeakPolarHBondContact O-CD2 3.33Å; M632-Y636 PolarHBondContact O-N 3.34Å
633S80.5Confident82.9Confident18 Ų1865.9 Ų65.913%0.12634%0.337CS..Hα-helixtrans-57.4-44.6176.8-176.90000111.8L629 I630 E631 Y636 S637L629-S633 VanDerWaalsContact O-CB 3.27Å; L629-S633 WeakPolarHBondContact O-CB 3.39Å; L629-S633 PolarHBondContact O-N 3.47Å; I630-S633 PolarHBondContact O-N 2.97Å; E631-S633 PolarHBondContact O-N 3.47Å; S633-Y636 PolarHBondContact O-N 2.91Å; S633-S637 WeakPolarHBondContact O-CB 3.3Å; S633-S637 PolarHBondContact O-N 3.38Å
634N81Confident82.7Confident96 Ų9666.3 Ų66.351%0.51334%0.342SS..Hα-helixtrans-64.8-43.6176.6-72.1-29.7000112I630 E631 M632 Y636 S637 L638I630-N634 PolarHBondContact O-N 3.25Å; I630-N634 PolarHBondContact O-ND2 2.94Å; E631-N634 PolarHBondContact O-N 2.89Å; M632-N634 VanDerWaalsContact C-N 3.31Å; M632-N634 PolarHBondContact O-N 3.37Å; N634-Y636 PolarHBondContact O-N 3.41Å; N634-S637 WeakPolarHBondContact O-CB 3.28Å; N634-S637 PolarHBondContact O-N 3.16Å; N634-L638 WeakPolarHBondContact O-CG 3.2Å; N634-L638 PolarHBondContact O-N 3.27Å
635A83.6Confident82.6Confident44 Ų4467.9 Ų67.936%0.36435%0.347SS..Hα-helixtrans-61.1-41.917600000112.6E631 M632 L638 T639E631-A635 PolarHBondContact O-N 2.82Å; M632-A635 PolarHBondContact O-N 3.31Å; A635-L638 PolarHBondContact O-N 3.26Å; A635-T639 WeakPolarHBondContact O-CB 3.4Å; A635-T639 PolarHBondContact O-N 2.71Å; A635-T639 PolarHBondContact O-OG1 2.81Å
636Y80.6Confident82.7Confident54 Ų5470.4 Ų70.421%0.21236%0.36CS..Hα-helixtrans-66.6-40.1175.4-88.3-78.6000112.1M632 S633 N634 L638 T639 Q640 N697 A700 Y704M632-Y636 HydrophobicContact CE-CD2 4.26Å; M632-Y636 HydrophobicContact CE-CE2 3.64Å; M632-Y636 VanDerWaalsContact O-CD2 3.26Å; M632-Y636 WeakPolarHBondContact O-CD2 3.33Å; M632-Y636 PolarHBondContact O-N 3.34Å; S633-Y636 PolarHBondContact O-N 2.91Å; N634-Y636 PolarHBondContact O-N 3.41Å; Y636-L638 VanDerWaalsContact C-N 3.34Å; Y636-L638 PolarHBondContact O-N 3.43Å; Y636-T639 PolarHBondContact O-N 3.11Å; Y636-Q640 VanDerWaalsContact O-CG 3.31Å; Y636-Q640 WeakPolarHBondContact O-CG 3.28Å; Y636-Q640 PolarHBondContact O-N 2.86Å; Y636-N697 HydrophobicContact CD1-CB 3.98Å; Y636-N697 HydrophobicContact CE1-CB 4.11Å; Y636-A700 HydrophobicContact CE1-CB 4.11Å; Y636-Y704 HydrophobicContact CD2-CD2 4.04Å; Y636-Y704 AromaticContact CD2-CE2 3.74Å; Y636-Y704 HydrophobicContact CD2-CE2 3.74Å; Y636-Y704 HydrophobicContact CE2-CD2 4.22Å; Y636-Y704 AromaticContact CE2-CE2 3.45Å; Y636-Y704 HydrophobicContact CE2-CE2 3.45Å; Y636-Y704 VanDerWaalsContact CE2-CE2 3.45Å
637S76.3Confident82.7Confident30 Ų3069.9 Ų69.921%0.2136%0.357CS..Hα-helixtrans-58.7-45.3175.3-178.80000111.6S633 N634 Q640 Q641S633-S637 WeakPolarHBondContact O-CB 3.3Å; S633-S637 PolarHBondContact O-N 3.38Å; N634-S637 WeakPolarHBondContact O-CB 3.28Å; N634-S637 PolarHBondContact O-N 3.16Å; S637-Q640 PolarHBondContact O-N 2.81Å; S637-Q641 WeakPolarHBondContact O-CG 2.98Å; S637-Q641 PolarHBondContact O-N 3.08Å
638L81.3Confident82.6Confident101 Ų10167.1 Ų67.153%0.52935%0.35SS..Hα-helixtrans-62.9-44.1174.3-69170.2000112N634 A635 Y636 Q640 Q641 H642N634-L638 WeakPolarHBondContact O-CG 3.2Å; N634-L638 PolarHBondContact O-N 3.27Å; A635-L638 PolarHBondContact O-N 3.26Å; Y636-L638 VanDerWaalsContact C-N 3.34Å; Y636-L638 PolarHBondContact O-N 3.43Å; L638-Q640 VanDerWaalsContact C-N 3.31Å; L638-Q640 PolarHBondContact O-N 2.98Å; L638-Q641 WeakPolarHBondContact O-CB 3.4Å; L638-Q641 PolarHBondContact O-N 3.48Å; L638-H642 PolarHBondContact O-CD2 2.89Å; L638-H642 PolarHBondContact O-N 3.11Å; L638-H642 VanDerWaalsContact O-N 3.12Å
639T84.3Confident82.7Confident60 Ų6067 Ų6737%0.36835%0.354SS..Hα-helixtrans-61.7-40.1178.1-57.40000111.4A635 Y636 Q641 H642 V643A635-T639 WeakPolarHBondContact O-CB 3.4Å; A635-T639 PolarHBondContact O-N 2.71Å; A635-T639 PolarHBondContact O-OG1 2.81Å; Y636-T639 PolarHBondContact O-N 3.11Å; T639-Q641 VanDerWaalsContact C-N 3.33Å; T639-Q641 PolarHBondContact O-N 3.18Å; T639-H642 PolarHBondContact O-N 2.85Å; T639-V643 HydrophobicContact CG2-CG2 4.35Å; T639-V643 VanDerWaalsContact O-CG2 3.32Å; T639-V643 WeakPolarHBondContact O-CG2 3.37Å; T639-V643 PolarHBondContact O-N 3.16Å
640Q78.4Confident83Confident29 Ų2968.8 Ų68.814%0.13636%0.362CS..Hα-helixtrans-62-39.9176-75.2176.814.200112.2Y636 S637 L638 V643 L644 N697 S701Y636-Q640 VanDerWaalsContact O-CG 3.31Å; Y636-Q640 WeakPolarHBondContact O-CG 3.28Å; Y636-Q640 PolarHBondContact O-N 2.86Å; S637-Q640 PolarHBondContact O-N 2.81Å; L638-Q640 VanDerWaalsContact C-N 3.31Å; L638-Q640 PolarHBondContact O-N 2.98Å; Q640-V643 PolarHBondContact O-N 3.31Å; Q640-L644 WeakPolarHBondContact O-CB 3.39Å; Q640-L644 PolarHBondContact O-N 3.39Å; Q640-N697 PolarHBondContact NE2-O 3.5Å; Q640-S701 VanDerWaalsContact NE2-CB 3.29Å
641Q79.9Confident83.2Confident104 Ų10467.7 Ų67.749%0.48636%0.36SS..Hα-helixtrans-62.6-44.5175.6-68.1-179.23.900111.6S637 L638 T639 L644 M645S637-Q641 WeakPolarHBondContact O-CG 2.98Å; S637-Q641 PolarHBondContact O-N 3.08Å; L638-Q641 WeakPolarHBondContact O-CB 3.4Å; L638-Q641 PolarHBondContact O-N 3.48Å; T639-Q641 VanDerWaalsContact C-N 3.33Å; T639-Q641 PolarHBondContact O-N 3.18Å; Q641-L644 WeakPolarHBondContact O-CB 3.14Å; Q641-L644 PolarHBondContact O-N 3.44Å; Q641-M645 WeakPolarHBondContact O-CG 3.19Å; Q641-M645 PolarHBondContact O-N 3.36Å; Q641-M645 VanDerWaalsContact O-N 3.08Å
642H84.9Confident83.4Confident125 Ų12564 Ų6458%0.57935%0.345SS*.Hα-helixtrans-62.2-47.2175.8-82-69.9000112.5L638 T639 L644 M645 D646L638-H642 PolarHBondContact O-CD2 2.89Å; L638-H642 PolarHBondContact O-N 3.11Å; L638-H642 VanDerWaalsContact O-N 3.12Å; T639-H642 PolarHBondContact O-N 2.85Å; H642-L644 VanDerWaalsContact C-N 3.26Å; H642-L644 PolarHBondContact O-N 2.8Å; H642-M645 PolarHBondContact O-N 3.4Å; H642-M645 VanDerWaalsContact O-N 3.14Å; H642-D646 PolarHBondContact O-N 2.91Å
643V82.1Confident83.8Confident21 Ų2164.6 Ų64.613%0.12735%0.349CS..Hα-helixtrans-61.8-35.4178.1173.90000111.5T639 Q640 D646 M647 R694T639-V643 HydrophobicContact CG2-CG2 4.35Å; T639-V643 VanDerWaalsContact O-CG2 3.32Å; T639-V643 WeakPolarHBondContact O-CG2 3.37Å; T639-V643 PolarHBondContact O-N 3.16Å; Q640-V643 PolarHBondContact O-N 3.31Å; V643-D646 PolarHBondContact O-N 3.09Å; V643-M647 HydrophobicContact CG1-CE 3.9Å; V643-M647 WeakPolarHBondContact O-CB 3.27Å; V643-M647 WeakPolarHBondContact O-CG 3.39Å; V643-M647 PolarHBondContact O-N 3Å; V643-R694 HydrophobicContact CG1-CB 3.89Å; V643-R694 HydrophobicContact CG1-CG 4.32Å
644L80Confident84.4Confident71 Ų7165.2 Ų65.237%0.37235%0.351SS..Hα-helixtrans-63.5-45.4174.6-16991.5000111.7Q640 Q641 H642 M647 T648Q640-L644 WeakPolarHBondContact O-CB 3.39Å; Q640-L644 PolarHBondContact O-N 3.39Å; Q641-L644 WeakPolarHBondContact O-CB 3.14Å; Q641-L644 PolarHBondContact O-N 3.44Å; H642-L644 VanDerWaalsContact C-N 3.26Å; H642-L644 PolarHBondContact O-N 2.8Å; L644-M647 PolarHBondContact O-N 3.16Å; L644-T648 PolarHBondContact O-N 3.18Å; L644-T648 PolarHBondContact O-OG1 3.12Å
645M82.9Confident85Confident125 Ų12566.4 Ų66.462%0.61635%0.352SS*.Hα-helixtrans-61.3-45.8176.8-69.7-179.668.100111.2Q641 H642 M647 T648 T649Q641-M645 WeakPolarHBondContact O-CG 3.19Å; Q641-M645 PolarHBondContact O-N 3.36Å; Q641-M645 VanDerWaalsContact O-N 3.08Å; H642-M645 PolarHBondContact O-N 3.4Å; H642-M645 VanDerWaalsContact O-N 3.14Å; M645-M647 PolarHBondContact O-N 3.12Å; M645-T648 PolarHBondContact O-N 3.04Å; M645-T649 PolarHBondContact O-N 2.95Å; M645-T649 VanDerWaalsContact O-N 3.1Å
646D85.2Confident85.5Confident82 Ų8271.6 Ų71.644%0.43936%0.362SS..Hα-helixtrans-62.8-41.4177.5-76.5-7.9000112.4H642 V643 T648 T649 K650H642-D646 PolarHBondContact O-N 2.91Å; V643-D646 PolarHBondContact O-N 3.09Å; D646-T648 VanDerWaalsContact C-N 3.3Å; D646-T648 PolarHBondContact O-N 3.31Å; D646-T649 PolarHBondContact O-N 3.43Å; D646-T649 PolarHBondContact O-OG1 2.84Å; D646-K650 WeakPolarHBondContact O-CB 3.29Å; D646-K650 VanDerWaalsContact O-CG 3.3Å; D646-K650 WeakPolarHBondContact O-CG 3.41Å; D646-K650 PolarHBondContact O-N 3.46Å
647M84.5Confident86.1Confident19 Ų1969.9 Ų69.99%0.09436%0.356CS..Hα-helixtrans-62.2-38.8174.4-80.5-176.3-17900112.7V643 L644 M645 K650 S651 N690 Y691 R694V643-M647 HydrophobicContact CG1-CE 3.9Å; V643-M647 WeakPolarHBondContact O-CB 3.27Å; V643-M647 WeakPolarHBondContact O-CG 3.39Å; V643-M647 PolarHBondContact O-N 3Å; L644-M647 PolarHBondContact O-N 3.16Å; M645-M647 PolarHBondContact O-N 3.12Å; M647-K650 PolarHBondContact O-N 3Å; M647-S651 VanDerWaalsContact O-CB 3.27Å; M647-S651 WeakPolarHBondContact O-CB 3.47Å; M647-S651 PolarHBondContact O-N 2.87Å; M647-N690 HydrophobicContact CE-CB 3.92Å; M647-N690 WeakPolarHBondContact CE-O 3.45Å; M647-N690 HydrophobicContact CG-CB 4.36Å; M647-Y691 HydrophobicContact CE-CD2 4.28Å; M647-Y691 VanDerWaalsContact CE-N 3.26Å; M647-R694 HydrophobicContact CE-CB 3.7Å; M647-R694 HydrophobicContact CE-CG 4.36Å
648T85.4Confident87Confident76 Ų7672.1 Ų72.147%0.46637%0.368SS..Hα-helixtrans-64.9-45.9-178.9-51.30000110L644 M645 D646 K650 S651 D652L644-T648 PolarHBondContact O-N 3.18Å; L644-T648 PolarHBondContact O-OG1 3.12Å; M645-T648 PolarHBondContact O-N 3.04Å; D646-T648 VanDerWaalsContact C-N 3.3Å; D646-T648 PolarHBondContact O-N 3.31Å; T648-K650 PolarHBondContact O-N 3.41Å; T648-S651 WeakPolarHBondContact O-CB 3.44Å; T648-S651 PolarHBondContact O-N 3.22Å; T648-D652 PolarHBondContact O-N 2.92Å
649T88.4Confident87.6Confident82 Ų8271.4 Ų71.450%0.50337%0.368SS..Hα-helixtrans-64.2-40.2176.362.20000112.7M645 D646 D652 N653M645-T649 PolarHBondContact O-N 2.95Å; M645-T649 VanDerWaalsContact O-N 3.1Å; D646-T649 PolarHBondContact O-N 3.43Å; D646-T649 PolarHBondContact O-OG1 2.84Å; T649-D652 PolarHBondContact O-N 2.89Å; T649-N653 PolarHBondContact O-N 3.12Å
650K88.6Confident88.1Confident43 Ų4374.1 Ų74.119%0.18738%0.375CS..Hα-helixtrans-65.2-41174.5-71.9-179.6-173.8-171.70112D646 M647 T648 D652 N653 I654 D686 I687 N690D646-K650 WeakPolarHBondContact O-CB 3.29Å; D646-K650 VanDerWaalsContact O-CG 3.3Å; D646-K650 WeakPolarHBondContact O-CG 3.41Å; D646-K650 PolarHBondContact O-N 3.46Å; M647-K650 PolarHBondContact O-N 3Å; T648-K650 PolarHBondContact O-N 3.41Å; K650-D652 PolarHBondContact O-N 3.22Å; K650-N653 WeakPolarHBondContact O-CB 3.3Å; K650-N653 PolarHBondContact O-N 3.44Å; K650-I654 WeakPolarHBondContact O-CG1 3.48Å; K650-I654 PolarHBondContact O-N 3.39Å; K650-D686 WeakPolarHBondContact CE-OD2 3.36Å; K650-D686 IonicContact NZ-OD1 3.06Å; K650-D686 PolarHBondContact NZ-OD1 3.49Å; K650-D686 IonicContact NZ-OD2 3.94Å; K650-D686 PolarHBondContact NZ-OD2 2.93Å; K650-I687 HydrophobicContact CB-CD1 4.15Å; K650-I687 HydrophobicContact CB-CG1 4.25Å; K650-N690 WeakPolarHBondContact CE-ND2 2.92Å; K650-N690 PolarHBondContact NZ-ND2 3.29Å; K650-N690 PolarHBondContact NZ-OD1 3.04Å
651S89.6Confident88.8Confident43 Ų4373.3 Ų73.330%0.30137%0.373SS..Hα-helixtrans-60.9-44.5175.5-176.60000111.5M647 T648 N653 I654 K655M647-S651 VanDerWaalsContact O-CB 3.27Å; M647-S651 WeakPolarHBondContact O-CB 3.47Å; M647-S651 PolarHBondContact O-N 2.87Å; T648-S651 WeakPolarHBondContact O-CB 3.44Å; T648-S651 PolarHBondContact O-N 3.22Å; S651-N653 VanDerWaalsContact C-N 3.3Å; S651-N653 PolarHBondContact O-N 3.24Å; S651-I654 PolarHBondContact O-N 2.56Å; S651-I654 VanDerWaalsContact O-N 3.16Å; S651-K655 WeakPolarHBondContact O-CG 3.38Å; S651-K655 PolarHBondContact O-N 3.29Å
652D90.7Very high89.4Confident65 Ų6572 Ų7235%0.34837%0.367SS..Hα-helixtrans-69.1-28.4176.4-69.7-22.8000112.7T648 T649 K650 K655 R656T648-D652 PolarHBondContact O-N 2.92Å; T649-D652 PolarHBondContact O-N 2.89Å; K650-D652 PolarHBondContact O-N 3.22Å; D652-K655 IonicContact OD1-NZ 3.09Å; D652-K655 PolarHBondContact OD1-NZ 3.47Å; D652-R656 WeakPolarHBondContact O-CG 3.23Å; D652-R656 PolarHBondContact O-N 3.33Å; D652-R656 VanDerWaalsContact O-N 3.15Å; D652-R656 PolarHBondContact O-NE 2.97Å; D652-R656 VanDerWaalsContact O-NE 3.11Å
653N91.7Very high89.9Confident68 Ų6870.3 Ų70.336%0.36436%0.362SS..Hα-helixtrans-66.1-44.3168.6-168.529.1000111.7T649 K650 S651 K655 R656 L657T649-N653 PolarHBondContact O-N 3.12Å; K650-N653 WeakPolarHBondContact O-CB 3.3Å; K650-N653 PolarHBondContact O-N 3.44Å; S651-N653 VanDerWaalsContact C-N 3.3Å; S651-N653 PolarHBondContact O-N 3.24Å; N653-K655 PolarHBondContact O-N 3.05Å; N653-R656 PolarHBondContact O-N 2.92Å; N653-L657 WeakPolarHBondContact O-CG 3.41Å; N653-L657 PolarHBondContact O-N 3.37Å
654I93.2Very high90.6Very high32 Ų3273.3 Ų73.316%0.16437%0.372CS..Hα-helixtrans-60.1-48.2176.4-68.5169.2000110.6K650 S651 R656 L657 V658 A683 I687K650-I654 WeakPolarHBondContact O-CG1 3.48Å; K650-I654 PolarHBondContact O-N 3.39Å; S651-I654 PolarHBondContact O-N 2.56Å; S651-I654 VanDerWaalsContact O-N 3.16Å; I654-R656 VanDerWaalsContact C-N 3.29Å; I654-R656 PolarHBondContact O-N 2.94Å; I654-L657 PolarHBondContact O-N 2.96Å; I654-L657 VanDerWaalsContact O-N 3.07Å; I654-V658 HydrophobicContact CG2-CG2 4.33Å; I654-V658 WeakPolarHBondContact O-CG2 3.47Å; I654-V658 PolarHBondContact O-N 2.82Å; I654-A683 HydrophobicContact CG1-CB 3.92Å; I654-I687 HydrophobicContact CD1-CB 4.18Å; I654-I687 HydrophobicContact CD1-CD1 3.95Å; I654-I687 HydrophobicContact CD1-CG2 3.77Å
655K93.3Very high91.3Very high120 Ų12074.9 Ų74.952%0.52237%0.373SS..Hα-helixtrans-54.5-46176.1-69.2173.8-165.4157.60111.6S651 D652 N653 L657 V658 V659S651-K655 WeakPolarHBondContact O-CG 3.38Å; S651-K655 PolarHBondContact O-N 3.29Å; D652-K655 IonicContact OD1-NZ 3.09Å; D652-K655 PolarHBondContact OD1-NZ 3.47Å; N653-K655 PolarHBondContact O-N 3.05Å; K655-L657 PolarHBondContact O-N 3.01Å; K655-V658 PolarHBondContact O-N 3.3Å; K655-V659 WeakPolarHBondContact O-CG2 3.2Å; K655-V659 PolarHBondContact O-N 3.08Å; K655-V659 VanDerWaalsContact O-N 3.16Å
656R93.6Very high91.9Very high153 Ų15374.6 Ų74.658%0.57737%0.373SS*.Hα-helixtrans-62.9-40.2176.8-75.8-179.9-71.2-176.1-0.2112.6D652 N653 I654 K660D652-R656 WeakPolarHBondContact O-CG 3.23Å; D652-R656 PolarHBondContact O-N 3.33Å; D652-R656 VanDerWaalsContact O-N 3.15Å; D652-R656 PolarHBondContact O-NE 2.97Å; D652-R656 VanDerWaalsContact O-NE 3.11Å; N653-R656 PolarHBondContact O-N 2.92Å; I654-R656 VanDerWaalsContact C-N 3.29Å; I654-R656 PolarHBondContact O-N 2.94Å; R656-K660 WeakPolarHBondContact O-CG 3.47Å; R656-K660 PolarHBondContact O-N 2.91Å
657L93.9Very high92.3Very high18 Ų1874.5 Ų74.59%0.09438%0.384CS..Hα-helixtrans-68.4-37177.8-71.7170.7000112.3N653 I654 K655 K660 A661 T676 L679 L680 A683N653-L657 WeakPolarHBondContact O-CG 3.41Å; N653-L657 PolarHBondContact O-N 3.37Å; I654-L657 PolarHBondContact O-N 2.96Å; I654-L657 VanDerWaalsContact O-N 3.07Å; K655-L657 PolarHBondContact O-N 3.01Å; L657-K660 PolarHBondContact O-N 3.47Å; L657-A661 VanDerWaalsContact O-CB 3.3Å; L657-A661 WeakPolarHBondContact O-CB 3.3Å; L657-A661 PolarHBondContact O-N 2.85Å; L657-T676 HydrophobicContact CB-CG2 4.39Å; L657-T676 HydrophobicContact CD2-CG2 3.94Å; L657-T676 WeakPolarHBondContact O-CG2 3.34Å; L657-L679 HydrophobicContact CD1-CB 4.34Å; L657-L679 HydrophobicContact CD2-CB 4.24Å; L657-L680 HydrophobicContact CB-CB 4.34Å; L657-L680 HydrophobicContact CB-CD1 4.22Å; L657-A683 HydrophobicContact CD1-CB 4.14Å
658V94.8Very high92.7Very high77 Ų7775.5 Ų75.547%0.46740%0.399SS..Hα-helixtrans-60.5-50.3174.5172.40000110.4I654 K655 K660 A661 E662 L680I654-V658 HydrophobicContact CG2-CG2 4.33Å; I654-V658 WeakPolarHBondContact O-CG2 3.47Å; I654-V658 PolarHBondContact O-N 2.82Å; K655-V658 PolarHBondContact O-N 3.3Å; V658-K660 PolarHBondContact O-N 3.08Å; V658-A661 PolarHBondContact O-N 2.85Å; V658-E662 PolarHBondContact O-N 2.93Å; V658-L680 HydrophobicContact CB-CD1 4.4Å; V658-L680 HydrophobicContact CG2-CD1 3.46Å; V658-L680 VanDerWaalsContact CG2-CD1 3.46Å
659V94.9Very high93.1Very high86 Ų8675.1 Ų75.152%0.52139%0.394SS..Hα-helixtrans-60-47.6178.7176.20000110.7K655 A661 E662 D663K655-V659 WeakPolarHBondContact O-CG2 3.2Å; K655-V659 PolarHBondContact O-N 3.08Å; K655-V659 VanDerWaalsContact O-N 3.16Å; V659-A661 VanDerWaalsContact C-N 3.33Å; V659-A661 PolarHBondContact O-N 3.42Å; V659-E662 PolarHBondContact O-N 2.72Å; V659-E662 VanDerWaalsContact O-N 3.17Å; V659-D663 PolarHBondContact O-N 3.02Å
660K94.2Very high93.3Very high117 Ų11779.2 Ų79.251%0.50940%0.4SS..Hα-helixtrans-61-39.1177-76.8-178.4177.9-178.60113.3R656 L657 V658 E662 D663 Y664 T676R656-K660 WeakPolarHBondContact O-CG 3.47Å; R656-K660 PolarHBondContact O-N 2.91Å; L657-K660 PolarHBondContact O-N 3.47Å; V658-K660 PolarHBondContact O-N 3.08Å; K660-E662 VanDerWaalsContact C-N 3.3Å; K660-D663 PolarHBondContact O-N 3.19Å; K660-Y664 WeakPolarHBondContact O-CD2 3.44Å; K660-Y664 PolarHBondContact O-N 2.9Å; K660-T676 HydrophobicContact CB-CG2 4.11Å
661A93.4Very high93.6Very high12 Ų1284.9 Ų84.910%0.09943%0.425CS..Hα-helixtrans-64.9-39.7178.200000110.7L657 V658 V659 Y664 R665 T676 I677L657-A661 VanDerWaalsContact O-CB 3.3Å; L657-A661 WeakPolarHBondContact O-CB 3.3Å; L657-A661 PolarHBondContact O-N 2.85Å; V658-A661 PolarHBondContact O-N 2.85Å; V659-A661 VanDerWaalsContact C-N 3.33Å; V659-A661 PolarHBondContact O-N 3.42Å; A661-Y664 PolarHBondContact O-N 2.84Å; A661-R665 PolarHBondContact O-N 3.1Å; A661-T676 HydrophobicContact CB-CG2 3.87Å; A661-I677 HydrophobicContact CB-CG1 4.37Å
662E93.2Very high93.7Very high78 Ų7884.5 Ų84.536%0.36442%0.422SS..Hα-helixtrans-68-42.1176.3-172.859-167.500111.9V658 V659 K660 Y664 R665 L666V658-E662 PolarHBondContact O-N 2.93Å; V659-E662 PolarHBondContact O-N 2.72Å; V659-E662 VanDerWaalsContact O-N 3.17Å; K660-E662 VanDerWaalsContact C-N 3.3Å; E662-Y664 VanDerWaalsContact C-N 3.33Å; E662-Y664 PolarHBondContact O-N 2.98Å; E662-R665 VanDerWaalsContact CD-NE 3.3Å; E662-R665 VanDerWaalsContact O-CB 3.32Å; E662-R665 WeakPolarHBondContact O-CB 3.42Å; E662-R665 PolarHBondContact O-N 3.27Å; E662-R665 VanDerWaalsContact O-N 3.09Å; E662-R665 IonicContact OE1-CZ 2.75Å; E662-R665 VanDerWaalsContact OE1-CZ 3.26Å; E662-R665 IonicContact OE1-NE 2.85Å; E662-R665 PolarHBondContact OE1-NE 3Å; E662-R665 IonicContact OE1-NH2 3.79Å; E662-R665 PolarHBondContact OE1-NH2 2.95Å; E662-R665 WeakPolarHBondContact OE2-CD 3.24Å; E662-R665 IonicContact OE2-CZ 3.6Å; E662-R665 IonicContact OE2-NE 3.25Å; E662-R665 PolarHBondContact OE2-NE 3.49Å; E662-R665 IonicContact OE2-NH2 3.33Å; E662-L666 HydrophobicContact CG-CD1 4.3Å; E662-L666 WeakPolarHBondContact O-CG 3.49Å; E662-L666 PolarHBondContact O-N 2.7Å
663D95.2Very high93.9Very high88 Ų8883 Ų8347%0.47141%0.414SS..Hα-helixtrans-58.8-44174.4-68.8-23.4000111.6V659 K660 R665 L666 A667V659-D663 PolarHBondContact O-N 3.02Å; K660-D663 PolarHBondContact O-N 3.19Å; D663-R665 VanDerWaalsContact C-N 3.32Å; D663-R665 PolarHBondContact O-N 3.37Å; D663-L666 PolarHBondContact O-N 3.09Å; D663-A667 WeakPolarHBondContact O-CB 3.49Å; D663-A667 PolarHBondContact O-N 3.04Å
664Y95.9Very high94Very high85 Ų8586.6 Ų86.633%0.33343%0.426SS..Hα-helixtrans-66.4-33.8175.7-70.3-45.4000113.1K660 A661 E662 G668 N669 T676K660-Y664 WeakPolarHBondContact O-CD2 3.44Å; K660-Y664 PolarHBondContact O-N 2.9Å; A661-Y664 PolarHBondContact O-N 2.84Å; E662-Y664 VanDerWaalsContact C-N 3.33Å; E662-Y664 PolarHBondContact O-N 2.98Å; Y664-G668 PolarHBondContact O-N 3.34Å; Y664-N669 HydrophobicContact CD1-CB 4.34Å; Y664-N669 PolarHBondContact O-N 2.89Å; Y664-T676 WeakPolarHBondContact CD2-OG1 3.26Å; Y664-T676 WeakPolarHBondContact CE2-OG1 3.26Å
665R94.2Very high94Very high103 Ų10391.1 Ų91.139%0.38945%0.445SS..Hα-helixtrans-64-47.5174.2-169.1-170.174.577.80.2110.5A661 E662 D663 A667 G668 W670 M673A661-R665 PolarHBondContact O-N 3.1Å; E662-R665 VanDerWaalsContact CD-NE 3.3Å; E662-R665 VanDerWaalsContact O-CB 3.32Å; E662-R665 WeakPolarHBondContact O-CB 3.42Å; E662-R665 PolarHBondContact O-N 3.27Å; E662-R665 VanDerWaalsContact O-N 3.09Å; E662-R665 IonicContact OE1-CZ 2.75Å; E662-R665 VanDerWaalsContact OE1-CZ 3.26Å; E662-R665 IonicContact OE1-NE 2.85Å; E662-R665 PolarHBondContact OE1-NE 3Å; E662-R665 IonicContact OE1-NH2 3.79Å; E662-R665 PolarHBondContact OE1-NH2 2.95Å; E662-R665 WeakPolarHBondContact OE2-CD 3.24Å; E662-R665 IonicContact OE2-CZ 3.6Å; E662-R665 IonicContact OE2-NE 3.25Å; E662-R665 PolarHBondContact OE2-NE 3.49Å; E662-R665 IonicContact OE2-NH2 3.33Å; D663-R665 VanDerWaalsContact C-N 3.32Å; D663-R665 PolarHBondContact O-N 3.37Å; R665-A667 VanDerWaalsContact C-N 3.33Å; R665-A667 PolarHBondContact O-N 2.93Å; R665-G668 PolarHBondContact O-N 3.32Å; R665-W670 HydrophobicContact CG-CH2 4.31Å; R665-W670 HydrophobicContact CG-CZ3 4.14Å; R665-M673 HydrophobicContact CB-CE 3.95Å; R665-M673 HydrophobicContact CB-SD 3.77Å; R665-M673 HydrophobicContact CG-CE 3.82Å; R665-M673 HydrophobicContact CG-SD 3.9Å
666L95.2Very high94Very high119 Ų11986 Ų8662%0.62342%0.423SS*.Hα-helixtrans-64.8-36.4178.1-68.3173.1000112.1E662 D663 G668E662-L666 HydrophobicContact CG-CD1 4.3Å; E662-L666 WeakPolarHBondContact O-CG 3.49Å; E662-L666 PolarHBondContact O-N 2.7Å; D663-L666 PolarHBondContact O-N 3.09Å; L666-G668 VanDerWaalsContact C-N 3.26Å; L666-G668 PolarHBondContact O-N 3.21Å
667A94.4Very high94.1Very high81 Ų8182.5 Ų82.567%0.66942%0.415SS*.THydrogen-bonded Turntrans-78.5-1176.100000114.5D663 R665 N669D663-A667 WeakPolarHBondContact O-CB 3.49Å; D663-A667 PolarHBondContact O-N 3.04Å; R665-A667 VanDerWaalsContact C-N 3.33Å; R665-A667 PolarHBondContact O-N 2.93Å; A667-N669 PolarHBondContact O-N 2.87Å
668G92.4Very high94.1Very high40 Ų4086.8 Ų86.841%0.41244%0.435SS..THydrogen-bonded Turntrans68.912.3-177.700000115Y664 R665 L666 W670Y664-G668 PolarHBondContact O-N 3.34Å; R665-G668 PolarHBondContact O-N 3.32Å; L666-G668 VanDerWaalsContact C-N 3.26Å; L666-G668 PolarHBondContact O-N 3.21Å; G668-W670 VanDerWaalsContact O-CD1 3.28Å; G668-W670 PolarHBondContact O-N 3.23Å; G668-W670 VanDerWaalsContact O-N 3.13Å
669N94.5Very high94.1Very high68 Ų6887.7 Ų87.736%0.36444%0.437SS..  trans-87.577.1179.5-169.5-17.5000111.5Y664 A667 K671 S672 M673Y664-N669 HydrophobicContact CD1-CB 4.34Å; Y664-N669 PolarHBondContact O-N 2.89Å; A667-N669 PolarHBondContact O-N 2.87Å; N669-K671 VanDerWaalsContact C-N 3.28Å; N669-K671 PolarHBondContact O-N 3.46Å; N669-S672 PolarHBondContact ND2-OG 3.08Å; N669-S672 VanDerWaalsContact ND2-OG 3.12Å; N669-S672 PolarHBondContact O-N 2.95Å; N669-S672 PolarHBondContact OD1-N 3.44Å; N669-S672 VanDerWaalsContact OD1-N 3.15Å; N669-S672 PolarHBondContact OD1-OG 2.84Å; N669-M673 WeakPolarHBondContact O-CB 3.32Å; N669-M673 PolarHBondContact O-N 3.4Å
670W92.2Very high94Very high167 Ų16785.8 Ų85.863%0.63342%0.423SS*.Hα-helixtrans-61-31.6-177.3-57.4109.8000114.2R665 G668 M673 K674R665-W670 HydrophobicContact CG-CH2 4.31Å; R665-W670 HydrophobicContact CG-CZ3 4.14Å; G668-W670 VanDerWaalsContact O-CD1 3.28Å; G668-W670 PolarHBondContact O-N 3.23Å; G668-W670 VanDerWaalsContact O-N 3.13Å; W670-M673 HydrophobicContact CE3-SD 3.57Å; W670-M673 VanDerWaalsContact CE3-SD 3.57Å; W670-M673 HydrophobicContact CZ3-CE 4.42Å; W670-M673 HydrophobicContact CZ3-SD 3.59Å; W670-M673 VanDerWaalsContact CZ3-SD 3.59Å; W670-K674 WeakPolarHBondContact O-CB 3.13Å; W670-K674 PolarHBondContact O-N 3.45Å
671K94.2Very high94Very high163 Ų16383.8 Ų83.871%0.70942%0.424SS*.Hα-helixtrans-69.6-43.8-179-167.4176.2-176177.90111.1N669 K675N669-K671 VanDerWaalsContact C-N 3.28Å; N669-K671 PolarHBondContact O-N 3.46Å; K671-K675 PolarHBondContact O-N 2.81Å
672S93Very high94Very high34 Ų3488.7 Ų88.724%0.23845%0.447CS..Hα-helixtrans-69.4-42.5174.8-63.90000111.4N669 K674 K675 T676N669-S672 PolarHBondContact ND2-OG 3.08Å; N669-S672 VanDerWaalsContact ND2-OG 3.12Å; N669-S672 PolarHBondContact O-N 2.95Å; N669-S672 PolarHBondContact OD1-N 3.44Å; N669-S672 VanDerWaalsContact OD1-N 3.15Å; N669-S672 PolarHBondContact OD1-OG 2.84Å; S672-K674 VanDerWaalsContact C-N 3.34Å; S672-K674 PolarHBondContact O-N 3.47Å; S672-K675 WeakPolarHBondContact O-CB 3.49Å; S672-K675 PolarHBondContact O-N 2.95Å; S672-K675 VanDerWaalsContact O-N 3.15Å; S672-T676 PolarHBondContact O-N 3.47Å; S672-T676 PolarHBondContact O-OG1 3.07Å; S672-T676 VanDerWaalsContact O-OG1 3.11Å
673M93.8Very high94Very high34 Ų3485.5 Ų85.517%0.16744%0.435CS..Hα-helixtrans-54.5-48.6175-177-170.8177.700111.7R665 N669 W670 K675 T676 I677R665-M673 HydrophobicContact CB-CE 3.95Å; R665-M673 HydrophobicContact CB-SD 3.77Å; R665-M673 HydrophobicContact CG-CE 3.82Å; R665-M673 HydrophobicContact CG-SD 3.9Å; N669-M673 WeakPolarHBondContact O-CB 3.32Å; N669-M673 PolarHBondContact O-N 3.4Å; W670-M673 HydrophobicContact CE3-SD 3.57Å; W670-M673 VanDerWaalsContact CE3-SD 3.57Å; W670-M673 HydrophobicContact CZ3-CE 4.42Å; W670-M673 HydrophobicContact CZ3-SD 3.59Å; W670-M673 VanDerWaalsContact CZ3-SD 3.59Å; M673-K675 VanDerWaalsContact C-N 3.32Å; M673-K675 PolarHBondContact O-N 3.27Å; M673-T676 PolarHBondContact O-N 3.4Å; M673-T676 VanDerWaalsContact O-N 3.15Å; M673-I677 HydrophobicContact CE-CD1 3.72Å; M673-I677 HydrophobicContact CG-CD1 3.86Å; M673-I677 HydrophobicContact CG-CG1 4.48Å; M673-I677 WeakPolarHBondContact O-CG1 3.34Å; M673-I677 PolarHBondContact O-N 3.35Å; M673-I677 HydrophobicContact SD-CD1 4.49Å
674K94.2Very high93.8Very high143 Ų14385.2 Ų85.262%0.62243%0.433SS*.Hα-helixtrans-60.8-40179.4-168175.1-177.6176.40112.3W670 S672 I677 Q678W670-K674 WeakPolarHBondContact O-CB 3.13Å; W670-K674 PolarHBondContact O-N 3.45Å; S672-K674 VanDerWaalsContact C-N 3.34Å; S672-K674 PolarHBondContact O-N 3.47Å; K674-I677 PolarHBondContact O-N 3.22Å; K674-Q678 WeakPolarHBondContact O-CG 3.48Å; K674-Q678 PolarHBondContact O-N 3.18Å
675K94.4Very high93.7Very high128 Ų12888.1 Ų88.156%0.55745%0.449SS*.Hα-helixtrans-64.5-42.9174.5-73.7-176.6176.1-172.20111.9K671 S672 M673 Q678 L679K671-K675 PolarHBondContact O-N 2.81Å; S672-K675 WeakPolarHBondContact O-CB 3.49Å; S672-K675 PolarHBondContact O-N 2.95Å; S672-K675 VanDerWaalsContact O-N 3.15Å; M673-K675 VanDerWaalsContact C-N 3.32Å; M673-K675 PolarHBondContact O-N 3.27Å; K675-Q678 WeakPolarHBondContact O-CB 3.29Å; K675-Q678 PolarHBondContact O-N 3.45Å; K675-L679 WeakPolarHBondContact O-CG 3.39Å; K675-L679 PolarHBondContact O-N 2.96Å
676T93.6Very high93.4Very high12 Ų1286.4 Ų86.47%0.07445%0.448CS..Hα-helixtrans-65.8-38.9178.1-53.90000111.7L657 K660 A661 Y664 S672 M673 Q678 L679 L680L657-T676 HydrophobicContact CB-CG2 4.39Å; L657-T676 HydrophobicContact CD2-CG2 3.94Å; L657-T676 WeakPolarHBondContact O-CG2 3.34Å; K660-T676 HydrophobicContact CB-CG2 4.11Å; A661-T676 HydrophobicContact CB-CG2 3.87Å; Y664-T676 WeakPolarHBondContact CD2-OG1 3.26Å; Y664-T676 WeakPolarHBondContact CE2-OG1 3.26Å; S672-T676 PolarHBondContact O-N 3.47Å; S672-T676 PolarHBondContact O-OG1 3.07Å; S672-T676 VanDerWaalsContact O-OG1 3.11Å; M673-T676 PolarHBondContact O-N 3.4Å; M673-T676 VanDerWaalsContact O-N 3.15Å; T676-Q678 VanDerWaalsContact C-N 3.34Å; T676-L679 PolarHBondContact O-N 3.45Å; T676-L680 WeakPolarHBondContact O-CB 3.38Å; T676-L680 PolarHBondContact O-N 3.11Å
677I94.1Very high93.2Very high80 Ų8082.2 Ų82.241%0.4143%0.426SS..Hα-helixtrans-64.5-38.8174.1-69.4171.3000111.3A661 M673 K674 L680 S681A661-I677 HydrophobicContact CB-CG1 4.37Å; M673-I677 HydrophobicContact CE-CD1 3.72Å; M673-I677 HydrophobicContact CG-CD1 3.86Å; M673-I677 HydrophobicContact CG-CG1 4.48Å; M673-I677 WeakPolarHBondContact O-CG1 3.34Å; M673-I677 PolarHBondContact O-N 3.35Å; M673-I677 HydrophobicContact SD-CD1 4.49Å; K674-I677 PolarHBondContact O-N 3.22Å; I677-L680 PolarHBondContact O-N 3.03Å; I677-S681 PolarHBondContact O-N 3.01Å
678Q94.3Very high92.8Very high107 Ų10781.7 Ų81.750%0.541%0.41SS..Hα-helixtrans-61.9-45173.2-74.8172.7-21.300111.7K674 K675 T676 L680 S681 I682K674-Q678 WeakPolarHBondContact O-CG 3.48Å; K674-Q678 PolarHBondContact O-N 3.18Å; K675-Q678 WeakPolarHBondContact O-CB 3.29Å; K675-Q678 PolarHBondContact O-N 3.45Å; T676-Q678 VanDerWaalsContact C-N 3.34Å; Q678-L680 VanDerWaalsContact C-N 3.31Å; Q678-L680 PolarHBondContact O-N 3.46Å; Q678-S681 WeakPolarHBondContact O-CB 3.49Å; Q678-S681 PolarHBondContact O-N 2.96Å; Q678-I682 WeakPolarHBondContact O-CG1 3.21Å; Q678-I682 PolarHBondContact O-N 3.48Å
679L94.2Very high92.6Very high97 Ų9782.7 Ų82.751%0.50841%0.411SS..Hα-helixtrans-61.8-39.7174.4-70.2172.7000112L657 K675 T676 S681 I682 A683L657-L679 HydrophobicContact CD1-CB 4.34Å; L657-L679 HydrophobicContact CD2-CB 4.24Å; K675-L679 WeakPolarHBondContact O-CG 3.39Å; K675-L679 PolarHBondContact O-N 2.96Å; T676-L679 PolarHBondContact O-N 3.45Å; L679-S681 VanDerWaalsContact C-N 3.34Å; L679-I682 PolarHBondContact O-N 2.89Å; L679-A683 WeakPolarHBondContact O-CB 3.06Å; L679-A683 PolarHBondContact O-N 2.92Å
680L94.1Very high92.2Very high45 Ų4580.9 Ų80.924%0.23640%0.401CS..Hα-helixtrans-63.4-40.9175.5-176.4144.9000111.3L657 V658 T676 I677 Q678 I682 A683 N684L657-L680 HydrophobicContact CB-CB 4.34Å; L657-L680 HydrophobicContact CB-CD1 4.22Å; V658-L680 HydrophobicContact CB-CD1 4.4Å; V658-L680 HydrophobicContact CG2-CD1 3.46Å; V658-L680 VanDerWaalsContact CG2-CD1 3.46Å; T676-L680 WeakPolarHBondContact O-CB 3.38Å; T676-L680 PolarHBondContact O-N 3.11Å; I677-L680 PolarHBondContact O-N 3.03Å; Q678-L680 VanDerWaalsContact C-N 3.31Å; Q678-L680 PolarHBondContact O-N 3.46Å; L680-I682 VanDerWaalsContact C-N 3.34Å; L680-I682 PolarHBondContact O-N 3.43Å; L680-A683 PolarHBondContact O-N 3.46Å; L680-N684 VanDerWaalsContact O-CB 3.26Å; L680-N684 WeakPolarHBondContact O-CB 3.45Å; L680-N684 PolarHBondContact O-N 3.34Å
681S93.3Very high91.7Very high75 Ų7577.7 Ų77.752%0.52439%0.39SS..Hα-helixtrans-62.6-40.2174.9-171.70000112.2I677 Q678 L679 N684 H685I677-S681 PolarHBondContact O-N 3.01Å; Q678-S681 WeakPolarHBondContact O-CB 3.49Å; Q678-S681 PolarHBondContact O-N 2.96Å; L679-S681 VanDerWaalsContact C-N 3.34Å; S681-N684 PolarHBondContact O-N 3.07Å; S681-H685 PolarHBondContact O-N 2.76Å
682I93.9Very high91.2Very high115 Ų11576.8 Ų76.859%0.5938%0.383SS*.Hα-helixtrans-66.1-48.2176.4-65.6164.6000110.1Q678 L679 L680 N684 H685 D686Q678-I682 WeakPolarHBondContact O-CG1 3.21Å; Q678-I682 PolarHBondContact O-N 3.48Å; L679-I682 PolarHBondContact O-N 2.89Å; L680-I682 VanDerWaalsContact C-N 3.34Å; L680-I682 PolarHBondContact O-N 3.43Å; I682-N684 PolarHBondContact O-N 3.49Å; I682-H685 PolarHBondContact O-N 3.32Å; I682-D686 WeakPolarHBondContact O-CB 3.43Å; I682-D686 PolarHBondContact O-N 3.38Å
683A92.5Very high90.8Very high12 Ų1277.9 Ų77.910%0.09939%0.391CS..Hα-helixtrans-60.3-36.217700000112.1I654 L657 L679 L680 D686 I687I654-A683 HydrophobicContact CG1-CB 3.92Å; L657-A683 HydrophobicContact CD1-CB 4.14Å; L679-A683 WeakPolarHBondContact O-CB 3.06Å; L679-A683 PolarHBondContact O-N 2.92Å; L680-A683 PolarHBondContact O-N 3.46Å; A683-D686 PolarHBondContact O-N 2.96Å; A683-I687 PolarHBondContact O-N 3.45Å
684N92.2Very high90.2Very high82 Ų8279.1 Ų79.144%0.43939%0.393SS..Hα-helixtrans-69.6-39.3176.4-164.747.5000112.3L680 S681 I682 D686 I687 M688L680-N684 VanDerWaalsContact O-CB 3.26Å; L680-N684 WeakPolarHBondContact O-CB 3.45Å; L680-N684 PolarHBondContact O-N 3.34Å; S681-N684 PolarHBondContact O-N 3.07Å; I682-N684 PolarHBondContact O-N 3.49Å; N684-D686 VanDerWaalsContact C-N 3.32Å; N684-I687 WeakPolarHBondContact O-CG2 3.13Å; N684-M688 WeakPolarHBondContact O-CB 3.39Å; N684-M688 WeakPolarHBondContact O-CG 3.31Å; N684-M688 PolarHBondContact O-N 3.03Å; N684-M688 VanDerWaalsContact O-N 3.11Å
685H92.2Very high89.3Confident146 Ų14675.1 Ų75.168%0.67638%0.378SS*.Hα-helixtrans-65-40.7174.7-16969.1000111.5S681 I682 M688 S689S681-H685 PolarHBondContact O-N 2.76Å; I682-H685 PolarHBondContact O-N 3.32Å; H685-M688 PolarHBondContact O-N 2.98Å; H685-S689 PolarHBondContact O-N 3.12Å
686D89.8Confident88.7Confident67 Ų6773.1 Ų73.136%0.35838%0.377SS..Hα-helixtrans-66.7-42.4179.3-173.926.1000112.7K650 I682 A683 N684 M688 S689 N690K650-D686 WeakPolarHBondContact CE-OD2 3.36Å; K650-D686 IonicContact NZ-OD1 3.06Å; K650-D686 PolarHBondContact NZ-OD1 3.49Å; K650-D686 IonicContact NZ-OD2 3.94Å; K650-D686 PolarHBondContact NZ-OD2 2.93Å; I682-D686 WeakPolarHBondContact O-CB 3.43Å; I682-D686 PolarHBondContact O-N 3.38Å; A683-D686 PolarHBondContact O-N 2.96Å; N684-D686 VanDerWaalsContact C-N 3.32Å; D686-M688 VanDerWaalsContact C-N 3.33Å; D686-M688 PolarHBondContact O-N 3.14Å; D686-S689 PolarHBondContact O-N 3.45Å; D686-N690 PolarHBondContact O-N 3.31Å
687I89.7Confident88.1Confident30 Ų3074.2 Ų74.215%0.15438%0.382CS..Hα-helixtrans-66.1-36.2174.7-155.8169.9000111.8K650 I654 A683 N684 N690 Y691K650-I687 HydrophobicContact CB-CD1 4.15Å; K650-I687 HydrophobicContact CB-CG1 4.25Å; I654-I687 HydrophobicContact CD1-CB 4.18Å; I654-I687 HydrophobicContact CD1-CD1 3.95Å; I654-I687 HydrophobicContact CD1-CG2 3.77Å; A683-I687 PolarHBondContact O-N 3.45Å; N684-I687 WeakPolarHBondContact O-CG2 3.13Å; I687-N690 PolarHBondContact O-N 3.39Å; I687-Y691 WeakPolarHBondContact O-CB 3.49Å; I687-Y691 PolarHBondContact O-N 3.23Å
688M87.1Confident87.3Confident71 Ų7173.2 Ų73.235%0.3537%0.374SS..Hα-helixtrans-66.8-41.3175.9-72.9-59.7-61.700111.8N684 H685 D686 N690 Y691 Y692N684-M688 WeakPolarHBondContact O-CB 3.39Å; N684-M688 WeakPolarHBondContact O-CG 3.31Å; N684-M688 PolarHBondContact O-N 3.03Å; N684-M688 VanDerWaalsContact O-N 3.11Å; H685-M688 PolarHBondContact O-N 2.98Å; D686-M688 VanDerWaalsContact C-N 3.33Å; D686-M688 PolarHBondContact O-N 3.14Å; M688-N690 PolarHBondContact O-N 3.08Å; M688-Y691 WeakPolarHBondContact O-CA 3.29Å; M688-Y691 WeakPolarHBondContact O-CB 3.38Å; M688-Y691 PolarHBondContact O-N 3.38Å; M688-Y691 VanDerWaalsContact O-N 3.09Å; M688-Y692 HydrophobicContact CB-CE2 4.41Å; M688-Y692 HydrophobicContact CE-CE2 3.87Å; M688-Y692 WeakPolarHBondContact O-CD2 3.44Å; M688-Y692 PolarHBondContact O-N 3.29Å
689S87.7Confident86.6Confident61 Ų6173.6 Ų73.643%0.42738%0.375SS..Hα-helixtrans-58.8-47.9174-173.50000111.2H685 D686 Y691 Y692 S693H685-S689 PolarHBondContact O-N 3.12Å; D686-S689 PolarHBondContact O-N 3.45Å; S689-Y691 PolarHBondContact O-N 3.18Å; S689-Y692 PolarHBondContact O-N 3.19Å; S689-S693 PolarHBondContact O-N 2.87Å; S689-S693 PolarHBondContact O-OG 3.28Å
690N85.7Confident85.9Confident29 Ų2970 Ų7016%0.15536%0.359CS..Hα-helixtrans-60.5-35.4174.3-83.911.6000112.3M647 K650 D686 I687 M688 S693 R694M647-N690 HydrophobicContact CE-CB 3.92Å; M647-N690 WeakPolarHBondContact CE-O 3.45Å; M647-N690 HydrophobicContact CG-CB 4.36Å; K650-N690 WeakPolarHBondContact CE-ND2 2.92Å; K650-N690 PolarHBondContact NZ-ND2 3.29Å; K650-N690 PolarHBondContact NZ-OD1 3.04Å; D686-N690 PolarHBondContact O-N 3.31Å; I687-N690 PolarHBondContact O-N 3.39Å; M688-N690 PolarHBondContact O-N 3.08Å; N690-S693 PolarHBondContact O-N 2.89Å; N690-R694 WeakPolarHBondContact O-CB 3.19Å; N690-R694 PolarHBondContact O-N 3.48Å
691Y83Confident85.2Confident100 Ų10068.4 Ų68.439%0.39235%0.353SS..Hα-helixtrans-65.1-45.8178.2-175.6-100.6000112.5M647 I687 M688 S689 R694 I695M647-Y691 HydrophobicContact CE-CD2 4.28Å; M647-Y691 VanDerWaalsContact CE-N 3.26Å; I687-Y691 WeakPolarHBondContact O-CB 3.49Å; I687-Y691 PolarHBondContact O-N 3.23Å; M688-Y691 WeakPolarHBondContact O-CA 3.29Å; M688-Y691 WeakPolarHBondContact O-CB 3.38Å; M688-Y691 PolarHBondContact O-N 3.38Å; M688-Y691 VanDerWaalsContact O-N 3.09Å; S689-Y691 PolarHBondContact O-N 3.18Å; Y691-R694 WeakPolarHBondContact O-CB 3.47Å; Y691-R694 PolarHBondContact O-N 2.84Å; Y691-I695 HydrophobicContact CD1-CD1 3.76Å; Y691-I695 HydrophobicContact CE1-CD1 3.23Å; Y691-I695 HydrophobicContact CE1-CG1 4.19Å; Y691-I695 HydrophobicContact CE2-CD1 4.5Å; Y691-I695 PolarHBondContact O-N 3.07Å
692Y83.7Confident84.4Confident145 Ų14565.4 Ų65.457%0.56933%0.33SS*.Hα-helixtrans-62.6-45173.6-68.3-60.6000111.8M688 S689 R694 I695 T696M688-Y692 HydrophobicContact CB-CE2 4.41Å; M688-Y692 HydrophobicContact CE-CE2 3.87Å; M688-Y692 WeakPolarHBondContact O-CD2 3.44Å; M688-Y692 PolarHBondContact O-N 3.29Å; S689-Y692 PolarHBondContact O-N 3.19Å; Y692-R694 VanDerWaalsContact C-N 3.26Å; Y692-R694 PolarHBondContact O-N 3.45Å; Y692-I695 PolarHBondContact O-N 3.32Å; Y692-I695 VanDerWaalsContact O-N 3.16Å; Y692-T696 PolarHBondContact O-N 2.89Å; Y692-T696 PolarHBondContact O-OG1 2.81Å; Y692-T696 VanDerWaalsContact O-OG1 3.12Å
693S82.7Confident83.7Confident57 Ų5763.2 Ų63.240%0.39932%0.32SS..Hα-helixtrans-58.7-38.6174.8-60.20000112.3S689 N690 N697S689-S693 PolarHBondContact O-N 2.87Å; S689-S693 PolarHBondContact O-OG 3.28Å; N690-S693 PolarHBondContact O-N 2.89Å; S693-N697 VanDerWaalsContact O-CB 3.29Å; S693-N697 WeakPolarHBondContact O-CB 3.26Å; S693-N697 PolarHBondContact O-N 2.84Å; S693-N697 PolarHBondContact O-ND2 2.99Å; S693-N697 PolarHBondContact O-OD1 3.33Å
694R81.7Confident83.2Confident60 Ų6064.3 Ų64.323%0.22632%0.321CS..Hα-helixtrans-64-44.5175.8-176.5-179.5170-175.2-1.8112V643 M647 N690 Y691 Y692 N697 Y698V643-R694 HydrophobicContact CG1-CB 3.89Å; V643-R694 HydrophobicContact CG1-CG 4.32Å; M647-R694 HydrophobicContact CE-CB 3.7Å; M647-R694 HydrophobicContact CE-CG 4.36Å; N690-R694 WeakPolarHBondContact O-CB 3.19Å; N690-R694 PolarHBondContact O-N 3.48Å; Y691-R694 WeakPolarHBondContact O-CB 3.47Å; Y691-R694 PolarHBondContact O-N 2.84Å; Y692-R694 VanDerWaalsContact C-N 3.26Å; Y692-R694 PolarHBondContact O-N 3.45Å; R694-N697 PolarHBondContact O-N 2.73Å; R694-Y698 WeakPolarHBondContact O-CB 3.45Å; R694-Y698 PolarHBondContact O-N 2.93Å
695I76.2Confident82.6Confident58 Ų5862 Ų6230%0.29731%0.309SS..Hα-helixtrans-60.8-49.7178.4-70.3169.4000109.8Y691 Y692 N697 Y698 E699Y691-I695 HydrophobicContact CD1-CD1 3.76Å; Y691-I695 HydrophobicContact CE1-CD1 3.23Å; Y691-I695 HydrophobicContact CE1-CG1 4.19Å; Y691-I695 HydrophobicContact CE2-CD1 4.5Å; Y691-I695 PolarHBondContact O-N 3.07Å; Y692-I695 PolarHBondContact O-N 3.32Å; Y692-I695 VanDerWaalsContact O-N 3.16Å; I695-N697 VanDerWaalsContact C-N 3.34Å; I695-N697 PolarHBondContact O-N 2.94Å; I695-Y698 WeakPolarHBondContact O-CB 3.34Å; I695-Y698 PolarHBondContact O-N 3Å; I695-Y698 VanDerWaalsContact O-N 3.12Å; I695-E699 HydrophobicContact CG2-CG 4.37Å; I695-E699 WeakPolarHBondContact O-CG 3.32Å; I695-E699 PolarHBondContact O-N 3.41Å
696T81.7Confident82Confident87 Ų8757 Ų5753%0.53429%0.286SS..Hα-helixtrans-59.9-45.1179.5-51.40000111.6Y692 Y698 E699 A700Y692-T696 PolarHBondContact O-N 2.89Å; Y692-T696 PolarHBondContact O-OG1 2.81Å; Y692-T696 VanDerWaalsContact O-OG1 3.12Å; T696-Y698 VanDerWaalsContact C-N 3.3Å; T696-Y698 PolarHBondContact O-N 3.5Å; T696-E699 PolarHBondContact O-N 3.29Å; T696-A700 WeakPolarHBondContact O-CB 3.43Å; T696-A700 PolarHBondContact O-N 3.19Å
697N81.1Confident81.5Confident34 Ų3456 Ų5618%0.18228%0.277CS..Hα-helixtrans-64.9-34.7176.8-71.8-5.7000112.4Y636 Q640 S693 R694 I695 S701Y636-N697 HydrophobicContact CD1-CB 3.98Å; Y636-N697 HydrophobicContact CE1-CB 4.11Å; Q640-N697 PolarHBondContact NE2-O 3.5Å; S693-N697 VanDerWaalsContact O-CB 3.29Å; S693-N697 WeakPolarHBondContact O-CB 3.26Å; S693-N697 PolarHBondContact O-N 2.84Å; S693-N697 PolarHBondContact O-ND2 2.99Å; S693-N697 PolarHBondContact O-OD1 3.33Å; R694-N697 PolarHBondContact O-N 2.73Å; I695-N697 VanDerWaalsContact C-N 3.34Å; I695-N697 PolarHBondContact O-N 2.94Å; N697-S701 VanDerWaalsContact O-CB 3.3Å; N697-S701 WeakPolarHBondContact O-CB 3.36Å; N697-S701 PolarHBondContact O-N 3.16Å
698Y77.6Confident81.2Confident59 Ų5955 Ų5523%0.23127%0.272CS..Hα-helixtrans-69.4-46.7176.7-177.5-96.9000111.6R694 I695 T696 A700 S701 M702R694-Y698 WeakPolarHBondContact O-CB 3.45Å; R694-Y698 PolarHBondContact O-N 2.93Å; I695-Y698 WeakPolarHBondContact O-CB 3.34Å; I695-Y698 PolarHBondContact O-N 3Å; I695-Y698 VanDerWaalsContact O-N 3.12Å; T696-Y698 VanDerWaalsContact C-N 3.3Å; T696-Y698 PolarHBondContact O-N 3.5Å; Y698-A700 VanDerWaalsContact C-N 3.33Å; Y698-A700 PolarHBondContact O-N 3.47Å; Y698-S701 PolarHBondContact O-N 3.45Å; Y698-M702 VanDerWaalsContact O-CB 3.28Å; Y698-M702 WeakPolarHBondContact O-CB 3.46Å; Y698-M702 PolarHBondContact O-N 3Å
699E78.3Confident80.9Confident115 Ų11552 Ų5254%0.53726%0.257SS..Hα-helixtrans-60.9-42.4175.4-71.9-178.5172.600111.6I695 T696 N703I695-E699 HydrophobicContact CG2-CG 4.37Å; I695-E699 WeakPolarHBondContact O-CG 3.32Å; I695-E699 PolarHBondContact O-N 3.41Å; T696-E699 PolarHBondContact O-N 3.29Å; E699-N703 WeakPolarHBondContact O-CB 3.45Å; E699-N703 PolarHBondContact O-N 2.82Å; E699-N703 PolarHBondContact O-ND2 3.26Å
700A80.8Confident80.6Confident21 Ų2150.6 Ų50.617%0.17424%0.244CC..Hα-helixtrans-62.2-48.9175.600000112.1Y636 T696 Y698 M702 N703 Y704Y636-A700 HydrophobicContact CE1-CB 4.11Å; T696-A700 WeakPolarHBondContact O-CB 3.43Å; T696-A700 PolarHBondContact O-N 3.19Å; Y698-A700 VanDerWaalsContact C-N 3.33Å; Y698-A700 PolarHBondContact O-N 3.47Å; A700-M702 PolarHBondContact O-N 3Å; A700-N703 WeakPolarHBondContact O-CB 3.46Å; A700-N703 PolarHBondContact O-N 3.45Å; A700-Y704 HydrophobicContact CB-CE2 4.12Å; A700-Y704 WeakPolarHBondContact O-CD2 3.39Å; A700-Y704 PolarHBondContact O-N 3.01Å
701S79.5Confident80.4Confident13 Ų1350 Ų509%0.09124%0.241CC..Hα-helixtrans-59.8-45.5177.2179.90000112.5Q640 N697 Y698 N703 Y704 L705Q640-S701 VanDerWaalsContact NE2-CB 3.29Å; N697-S701 VanDerWaalsContact O-CB 3.3Å; N697-S701 WeakPolarHBondContact O-CB 3.36Å; N697-S701 PolarHBondContact O-N 3.16Å; Y698-S701 PolarHBondContact O-N 3.45Å; S701-N703 VanDerWaalsContact C-N 3.3Å; S701-N703 PolarHBondContact O-N 3.1Å; S701-Y704 PolarHBondContact O-N 3.15Å; S701-L705 PolarHBondContact O-N 3.39Å
702M75.2Confident80.4Confident11 Ų1146.5 Ų46.55%0.05423%0.228CC..Hα-helixtrans-63.7-40.1178.7-169.867.6-109.800111.5H145 Y698 A700 L705 K706H145-M702 HydrophobicContact CB-CE 3.13Å; H145-M702 HydrophobicContact CB-CG 4.25Å; H145-M702 HydrophobicContact CB-SD 3.33Å; H145-M702 WeakPolarHBondContact CB-SD 3.37Å; H145-M702 PolarHBondContact CD2-SD 2.84Å; Y698-M702 VanDerWaalsContact O-CB 3.28Å; Y698-M702 WeakPolarHBondContact O-CB 3.46Å; Y698-M702 PolarHBondContact O-N 3Å; A700-M702 PolarHBondContact O-N 3Å; M702-L705 HydrophobicContact CE-CB 4.24Å; M702-L705 HydrophobicContact CE-CD2 3.9Å; M702-L705 HydrophobicContact CE-CG 4.41Å; M702-K706 WeakPolarHBondContact O-CB 3.48Å; M702-K706 PolarHBondContact O-N 2.9Å
703N79.6Confident80.1Confident69 Ų6940.5 Ų40.537%0.36921%0.206SC..Hα-helixtrans-56.9-59.8171-81.6-19.9000108.9E699 A700 S701 L705 K706 Y707E699-N703 WeakPolarHBondContact O-CB 3.45Å; E699-N703 PolarHBondContact O-N 2.82Å; E699-N703 PolarHBondContact O-ND2 3.26Å; A700-N703 WeakPolarHBondContact O-CB 3.46Å; A700-N703 PolarHBondContact O-N 3.45Å; S701-N703 VanDerWaalsContact C-N 3.3Å; S701-N703 PolarHBondContact O-N 3.1Å; N703-L705 VanDerWaalsContact C-N 3.3Å; N703-L705 PolarHBondContact O-N 3.43Å; N703-K706 WeakPolarHBondContact O-CA 3.38Å; N703-K706 WeakPolarHBondContact O-CB 3.37Å; N703-K706 PolarHBondContact O-N 3.17Å; N703-Y707 HydrophobicContact CB-CE2 3.9Å; N703-Y707 WeakPolarHBondContact O-CD2 3.5Å; N703-Y707 WeakPolarHBondContact O-CE2 3.27Å; N703-Y707 PolarHBondContact O-N 2.86Å
704Y81.8Confident80Confident35 Ų3539.9 Ų39.914%0.13720%0.196CC..Hα-helixtrans-50.3-45.1178.9-64.4-51.2000113.9L629 Y636 A700 S701 K706 Y707 I708L629-Y704 HydrophobicContact CD2-CD1 3.37Å; L629-Y704 HydrophobicContact CD2-CE1 3.9Å; L629-Y704 HydrophobicContact CD2-CG 4.34Å; Y636-Y704 HydrophobicContact CD2-CD2 4.04Å; Y636-Y704 AromaticContact CD2-CE2 3.74Å; Y636-Y704 HydrophobicContact CD2-CE2 3.74Å; Y636-Y704 HydrophobicContact CE2-CD2 4.22Å; Y636-Y704 AromaticContact CE2-CE2 3.45Å; Y636-Y704 HydrophobicContact CE2-CE2 3.45Å; Y636-Y704 VanDerWaalsContact CE2-CE2 3.45Å; A700-Y704 HydrophobicContact CB-CE2 4.12Å; A700-Y704 WeakPolarHBondContact O-CD2 3.39Å; A700-Y704 PolarHBondContact O-N 3.01Å; S701-Y704 PolarHBondContact O-N 3.15Å; Y704-K706 VanDerWaalsContact C-N 3.3Å; Y704-K706 PolarHBondContact O-N 3.37Å; Y704-Y707 WeakPolarHBondContact O-CB 3.47Å; Y704-Y707 PolarHBondContact O-N 3.36Å; Y704-Y707 VanDerWaalsContact O-N 3.13Å; Y704-I708 WeakPolarHBondContact O-CG1 3.42Å; Y704-I708 PolarHBondContact O-N 3.06Å
705L78.8Confident80.1Confident33 Ų3338 Ų3817%0.17319%0.191CC..Hα-helixtrans-61.1-40176.7-172.964.9000111.9N116 S701 M702 N703 I708 N709N116-L705 HydrophobicContact CB-CD2 4.3Å; S701-L705 PolarHBondContact O-N 3.39Å; M702-L705 HydrophobicContact CE-CB 4.24Å; M702-L705 HydrophobicContact CE-CD2 3.9Å; M702-L705 HydrophobicContact CE-CG 4.41Å; N703-L705 VanDerWaalsContact C-N 3.3Å; N703-L705 PolarHBondContact O-N 3.43Å; L705-I708 PolarHBondContact O-N 2.85Å; L705-N709 WeakPolarHBondContact O-CB 3.44Å; L705-N709 PolarHBondContact O-N 2.93Å; L705-N709 PolarHBondContact O-ND2 2.99Å; L705-N709 VanDerWaalsContact O-ND2 3.16Å
706K80.3Confident80.2Confident43 Ų4335.8 Ų35.819%0.18718%0.181CC..Hα-helixtrans-60.3-44.6172.3178.6-178.5174.2160.40112C146 D165 M702 N703 Y704 I708 N709 Q710C146-K706 VanDerWaalsContact SG-CA 3.59Å; D165-K706 WeakPolarHBondContact OD1-CE 3.43Å; D165-K706 IonicContact OD1-NZ 2.66Å; D165-K706 PolarHBondContact OD1-NZ 3.32Å; D165-K706 VanDerWaalsContact OD2-CE 3.26Å; D165-K706 WeakPolarHBondContact OD2-CE 3.04Å; D165-K706 IonicContact OD2-NZ 3Å; D165-K706 PolarHBondContact OD2-NZ 3.48Å; M702-K706 WeakPolarHBondContact O-CB 3.48Å; M702-K706 PolarHBondContact O-N 2.9Å; N703-K706 WeakPolarHBondContact O-CA 3.38Å; N703-K706 WeakPolarHBondContact O-CB 3.37Å; N703-K706 PolarHBondContact O-N 3.17Å; Y704-K706 VanDerWaalsContact C-N 3.3Å; Y704-K706 PolarHBondContact O-N 3.37Å; K706-I708 PolarHBondContact O-N 2.87Å; K706-N709 PolarHBondContact O-N 3.15Å; K706-Q710 HydrophobicContact CG-CG 4.49Å; K706-Q710 WeakPolarHBondContact O-CB 3.38Å; K706-Q710 VanDerWaalsContact O-CG 3.31Å; K706-Q710 WeakPolarHBondContact O-CG 3.44Å; K706-Q710 PolarHBondContact O-N 3.38Å
707Y79.4Confident80Confident44 Ų4432.5 Ų32.517%0.17316%0.161CC..Hα-helixtrans-58.9-47.5176-65-102.8000111.5W555 I559 N703 Y704 N709 Q710 I711W555-Y707 AromaticContact CD2-CD1 3.52Å; W555-Y707 HydrophobicContact CD2-CD1 3.52Å; W555-Y707 AromaticContact CD2-CE1 3.09Å; W555-Y707 HydrophobicContact CD2-CE1 3.09Å; W555-Y707 AromaticContact CE2-CD1 3.16Å; W555-Y707 AromaticContact CE2-CE1 3.34Å; W555-Y707 AromaticContact CE3-CD1 3.59Å; W555-Y707 HydrophobicContact CE3-CD1 3.59Å; W555-Y707 AromaticContact CE3-CE1 2.91Å; W555-Y707 HydrophobicContact CE3-CE1 2.91Å; W555-Y707 HydrophobicContact CE3-CE2 4.42Å; W555-Y707 AromaticContact CE3-CZ 3.35Å; W555-Y707 AromaticContact CG-CE1 3.97Å; W555-Y707 HydrophobicContact CG-CE1 3.97Å; W555-Y707 AromaticContact CH2-CD1 2.91Å; W555-Y707 HydrophobicContact CH2-CD1 2.91Å; W555-Y707 AromaticContact CH2-CD2 3.99Å; W555-Y707 HydrophobicContact CH2-CD2 3.99Å; W555-Y707 AromaticContact CH2-CE1 3.23Å; W555-Y707 HydrophobicContact CH2-CE1 3.23Å; W555-Y707 HydrophobicContact CH2-CE2 4.15Å; W555-Y707 AromaticContact CH2-CG 3.28Å; W555-Y707 HydrophobicContact CH2-CG 3.28Å; W555-Y707 AromaticContact CH2-CZ 3.75Å; W555-Y707 AromaticContact CZ2-CD1 2.88Å; W555-Y707 HydrophobicContact CZ2-CD1 2.88Å; W555-Y707 AromaticContact CZ2-CE1 3.44Å; W555-Y707 HydrophobicContact CZ2-CE1 3.44Å; W555-Y707 VanDerWaalsContact CZ2-CE1 3.44Å; W555-Y707 AromaticContact CZ2-CG 3.56Å; W555-Y707 HydrophobicContact CZ2-CG 3.56Å; W555-Y707 AromaticContact CZ3-CD1 3.29Å; W555-Y707 HydrophobicContact CZ3-CD1 3.29Å; W555-Y707 HydrophobicContact CZ3-CD2 4.18Å; W555-Y707 AromaticContact CZ3-CE1 2.96Å; W555-Y707 HydrophobicContact CZ3-CE1 2.96Å; W555-Y707 AromaticContact CZ3-CE2 3.85Å; W555-Y707 HydrophobicContact CZ3-CE2 3.85Å; W555-Y707 AromaticContact CZ3-CG 3.83Å; W555-Y707 HydrophobicContact CZ3-CG 3.83Å; W555-Y707 AromaticContact CZ3-CZ 3.18Å; I559-Y707 HydrophobicContact CD1-CD1 3.61Å; I559-Y707 HydrophobicContact CD1-CE1 3.79Å; I559-Y707 HydrophobicContact CD1-CG 4.4Å; I559-Y707 HydrophobicContact CG1-CE1 4.34Å; N703-Y707 HydrophobicContact CB-CE2 3.9Å; N703-Y707 WeakPolarHBondContact O-CD2 3.5Å; N703-Y707 WeakPolarHBondContact O-CE2 3.27Å; N703-Y707 PolarHBondContact O-N 2.86Å; Y704-Y707 WeakPolarHBondContact O-CB 3.47Å; Y704-Y707 PolarHBondContact O-N 3.36Å; Y704-Y707 VanDerWaalsContact O-N 3.13Å; Y707-N709 VanDerWaalsContact C-N 3.33Å; Y707-N709 PolarHBondContact O-N 2.87Å; Y707-Q710 PolarHBondContact O-N 3.17Å; Y707-I711 WeakPolarHBondContact O-CG1 3.49Å; Y707-I711 PolarHBondContact O-N 2.66Å
708I84.4Confident80Confident10 Ų1030.9 Ų30.95%0.05115%0.153CC..Hα-helixtrans-58.7-48.5179-67.6164.8000109.9L626 L629 I630 Y704 L705 K706 Q710 I711 I712L626-I708 HydrophobicContact CD1-CB 4.43Å; L626-I708 HydrophobicContact CD1-CG1 4.13Å; L626-I708 HydrophobicContact CD1-CG2 4.27Å; L629-I708 HydrophobicContact CB-CD1 4.3Å; L629-I708 HydrophobicContact CB-CG1 4.04Å; I630-I708 HydrophobicContact CG1-CD1 3.96Å; I630-I708 HydrophobicContact CG1-CG1 4.36Å; Y704-I708 WeakPolarHBondContact O-CG1 3.42Å; Y704-I708 PolarHBondContact O-N 3.06Å; L705-I708 PolarHBondContact O-N 2.85Å; K706-I708 PolarHBondContact O-N 2.87Å; I708-Q710 PolarHBondContact O-N 3.01Å; I708-I711 PolarHBondContact O-N 3.47Å; I708-I712 HydrophobicContact CG2-CD1 3.73Å; I708-I712 HydrophobicContact CG2-CG1 4.44Å; I708-I712 VanDerWaalsContact O-CG1 3.29Å; I708-I712 WeakPolarHBondContact O-CG1 3.32Å; I708-I712 PolarHBondContact O-N 3.23Å
709N80.1Confident79.8Confident8 Ų831.7 Ų31.74%0.04316%0.156CC..Hα-helixtrans-66.4-36.7-178.3-70.2-24.7000112.9C146 V162 L705 K706 Y707 I712 E713C146-N709 HydrophobicContact CB-CB 4.25Å; C146-N709 WeakPolarHBondContact CB-ND2 3.48Å; V162-N709 HydrophobicContact CG1-CB 3.49Å; V162-N709 VanDerWaalsContact CG1-CB 3.49Å; V162-N709 VanDerWaalsContact CG1-OD1 3.27Å; V162-N709 WeakPolarHBondContact CG1-OD1 3.4Å; L705-N709 WeakPolarHBondContact O-CB 3.44Å; L705-N709 PolarHBondContact O-N 2.93Å; L705-N709 PolarHBondContact O-ND2 2.99Å; L705-N709 VanDerWaalsContact O-ND2 3.16Å; K706-N709 PolarHBondContact O-N 3.15Å; Y707-N709 VanDerWaalsContact C-N 3.33Å; Y707-N709 PolarHBondContact O-N 2.87Å; N709-I712 PolarHBondContact O-N 3.09Å; N709-E713 WeakPolarHBondContact O-CB 3.48Å; N709-E713 PolarHBondContact O-N 3.46Å
710Q80.3Confident78.8Confident31 Ų3126.2 Ų26.215%0.14513%0.13CC..Hα-helixtrans-64.8-41.5173-73.5-176.7-2.600112.1S164 W555 K706 Y707 I708 E713 H714S164-Q710 VanDerWaalsContact O-CG 3.27Å; S164-Q710 WeakPolarHBondContact O-CG 3.37Å; S164-Q710 PolarHBondContact O-NE2 2.84Å; W555-Q710 VanDerWaalsContact CZ2-OE1 3.27Å; K706-Q710 HydrophobicContact CG-CG 4.49Å; K706-Q710 WeakPolarHBondContact O-CB 3.38Å; K706-Q710 VanDerWaalsContact O-CG 3.31Å; K706-Q710 WeakPolarHBondContact O-CG 3.44Å; K706-Q710 PolarHBondContact O-N 3.38Å; Y707-Q710 PolarHBondContact O-N 3.17Å; I708-Q710 PolarHBondContact O-N 3.01Å; Q710-E713 PolarHBondContact O-N 3.46Å; Q710-H714 PolarHBondContact O-CD2 2.96Å; Q710-H714 PolarHBondContact O-N 3.02Å
711I82.9Confident77.5Confident18 Ų1829.6 Ų29.69%0.09215%0.145CC..Hα-helixtrans-62.2-47.1175.1-68.5166.5000110.1L594 L622 L626 L629 Y707 I708 E713 H714 V715L594-I711 HydrophobicContact CD2-CG2 4.24Å; L622-I711 HydrophobicContact CD2-CD1 4.06Å; L622-I711 HydrophobicContact CD2-CG1 4.15Å; L622-I711 HydrophobicContact CD2-CG2 3.65Å; L626-I711 HydrophobicContact CD1-CB 4.32Å; L626-I711 HydrophobicContact CD1-CD1 3.91Å; L626-I711 HydrophobicContact CD1-CG2 4.16Å; L626-I711 HydrophobicContact CD2-CG2 4.18Å; L629-I711 HydrophobicContact CD1-CD1 4.2Å; Y707-I711 WeakPolarHBondContact O-CG1 3.49Å; Y707-I711 PolarHBondContact O-N 2.66Å; I708-I711 PolarHBondContact O-N 3.47Å; I711-E713 VanDerWaalsContact C-N 3.3Å; I711-E713 PolarHBondContact O-N 3.05Å; I711-H714 PolarHBondContact O-N 3.13Å; I711-V715 HydrophobicContact CG2-CG2 4.25Å; I711-V715 WeakPolarHBondContact O-CB 3.3Å; I711-V715 VanDerWaalsContact O-CG2 3.28Å; I711-V715 WeakPolarHBondContact O-CG2 3.41Å; I711-V715 PolarHBondContact O-N 3.36Å
712I81.7Confident75.8Confident25 Ų2531.6 Ų31.613%0.12816%0.159CC..Hα-helixtrans-57.8-45.5177.3-68.6167.3000110.5I708 N709 V715 S716 L731I708-I712 HydrophobicContact CG2-CD1 3.73Å; I708-I712 HydrophobicContact CG2-CG1 4.44Å; I708-I712 VanDerWaalsContact O-CG1 3.29Å; I708-I712 WeakPolarHBondContact O-CG1 3.32Å; I708-I712 PolarHBondContact O-N 3.23Å; N709-I712 PolarHBondContact O-N 3.09Å; I712-V715 PolarHBondContact O-N 2.88Å; I712-S716 WeakPolarHBondContact O-CB 3.37Å; I712-S716 PolarHBondContact O-N 3.28Å; I712-S716 PolarHBondContact O-OG 2.94Å; I712-L731 HydrophobicContact CD1-CD1 4.33Å
713E77.7Confident74Confident20 Ų2035.1 Ų35.19%0.09317%0.174CC..Hα-helixtrans-61.7-50.1177.9-172.5169165.100111S164 R195 N709 Q710 I711 V715 S716 S717S164-E713 VanDerWaalsContact CA-OE2 3.24Å; S164-E713 WeakPolarHBondContact CA-OE2 3.25Å; S164-E713 WeakPolarHBondContact CB-OE2 3.28Å; S164-E713 PolarHBondContact N-OE2 3.15Å; S164-E713 PolarHBondContact OG-OE2 2.94Å; R195-E713 IonicContact CZ-OE1 3.16Å; R195-E713 IonicContact CZ-OE2 3.8Å; R195-E713 IonicContact NE-OE1 2.76Å; R195-E713 PolarHBondContact NE-OE1 3.11Å; R195-E713 IonicContact NE-OE2 2.93Å; R195-E713 IonicContact NH2-OE1 3.8Å; R195-E713 PolarHBondContact NH2-OE1 3.24Å; R195-E713 IonicContact NH2-OE2 3.18Å; R195-E713 PolarHBondContact NH2-OE2 2.92Å; N709-E713 WeakPolarHBondContact O-CB 3.48Å; N709-E713 PolarHBondContact O-N 3.46Å; Q710-E713 PolarHBondContact O-N 3.46Å; I711-E713 VanDerWaalsContact C-N 3.3Å; I711-E713 PolarHBondContact O-N 3.05Å; E713-V715 VanDerWaalsContact C-N 3.34Å; E713-V715 PolarHBondContact O-N 3.16Å; E713-S716 WeakPolarHBondContact CA-OG 3.48Å; E713-S716 CarbonylContact O-C 3.59Å; E713-S716 WeakPolarHBondContact O-CA 3.46Å; E713-S716 WeakPolarHBondContact O-CB 3.33Å; E713-S716 PolarHBondContact O-N 3.36Å; E713-S716 PolarHBondContact O-OG 2.9Å; E713-S717 PolarHBondContact O-N 3.48Å; E713-S717 PolarHBondContact O-OG 3.22Å
714H80.9Confident72.3Confident43 Ų4332.7 Ų32.720%0.19916%0.162CC..Hα-helixtrans-63.1-38.3178.9-65-50.1000113.2L594 A598 Q710 I711 S716 S717 L718L594-H714 HydrophobicContact CD2-CB 3.73Å; L594-H714 HydrophobicContact CG-CB 3.78Å; A598-H714 HydrophobicContact CB-CB 4.37Å; Q710-H714 PolarHBondContact O-CD2 2.96Å; Q710-H714 PolarHBondContact O-N 3.02Å; I711-H714 PolarHBondContact O-N 3.13Å; H714-S716 VanDerWaalsContact C-N 3.29Å; H714-S716 PolarHBondContact O-N 3.26Å; H714-S717 PolarHBondContact O-N 3.26Å; H714-L718 PolarHBondContact O-N 3.49Å
715V83.4Confident70.4Confident20 Ų2032.9 Ų32.912%0.12116%0.163CC..Hα-helixtrans-63.1-39.4173.4171.90000110.7L594 F623 I711 I712 E713 L718L594-V715 HydrophobicContact CD1-CG2 4.36Å; L594-V715 HydrophobicContact CD2-CG2 3.97Å; F623-V715 HydrophobicContact CE1-CG2 4.44Å; I711-V715 HydrophobicContact CG2-CG2 4.25Å; I711-V715 WeakPolarHBondContact O-CB 3.3Å; I711-V715 VanDerWaalsContact O-CG2 3.28Å; I711-V715 WeakPolarHBondContact O-CG2 3.41Å; I711-V715 PolarHBondContact O-N 3.36Å; I712-V715 PolarHBondContact O-N 2.88Å; E713-V715 VanDerWaalsContact C-N 3.34Å; E713-V715 PolarHBondContact O-N 3.16Å; V715-L718 WeakPolarHBondContact O-CB 3.36Å; V715-L718 PolarHBondContact O-N 2.99Å
716S78Confident68.5Low13 Ų1336.2 Ų36.29%0.09118%0.181CC..Hα-helixtrans-65.6-39.6175.976.90000112.1I712 E713 H714 L718 R719 V724I712-S716 WeakPolarHBondContact O-CB 3.37Å; I712-S716 PolarHBondContact O-N 3.28Å; I712-S716 PolarHBondContact O-OG 2.94Å; E713-S716 WeakPolarHBondContact CA-OG 3.48Å; E713-S716 CarbonylContact O-C 3.59Å; E713-S716 WeakPolarHBondContact O-CA 3.46Å; E713-S716 WeakPolarHBondContact O-CB 3.33Å; E713-S716 PolarHBondContact O-N 3.36Å; E713-S716 PolarHBondContact O-OG 2.9Å; H714-S716 VanDerWaalsContact C-N 3.29Å; H714-S716 PolarHBondContact O-N 3.26Å; S716-L718 PolarHBondContact O-N 3.33Å; S716-R719 WeakPolarHBondContact O-CB 3.34Å; S716-R719 PolarHBondContact O-N 3.38Å; S716-V724 VanDerWaalsContact CB-O 3.25Å; S716-V724 WeakPolarHBondContact CB-O 3.3Å; S716-V724 WeakPolarHBondContact OG-CG1 3.42Å
717S78.5Confident66.4Low17 Ų1735.5 Ų35.512%0.11918%0.182CC..THydrogen-bonded Turntrans-69.9-7.6175.8-54.90000113.6Q602 E713 H714 R719Q602-S717 WeakPolarHBondContact CG-O 3.17Å; Q602-S717 PolarHBondContact NE2-O 2.79Å; E713-S717 PolarHBondContact O-N 3.48Å; E713-S717 PolarHBondContact O-OG 3.22Å; H714-S717 PolarHBondContact O-N 3.26Å; S717-R719 PolarHBondContact O-N 3.19Å
718L81.7Confident64.2Low1 Ų137.2 Ų37.21%0.00520%0.2CC..THydrogen-bonded Turntrans-72.8-12.3167.4-68.6174.8000112.6V509 L594 A597 A598 V601 S615 C617 F619 H714 V715 S716V509-L718 HydrophobicContact CG1-CD2 4.23Å; V509-L718 HydrophobicContact CG2-CD1 3.99Å; V509-L718 HydrophobicContact CG2-CD2 3.69Å; V509-L718 HydrophobicContact CG2-CG 4.48Å; L594-L718 HydrophobicContact CD1-CD1 3.7Å; L594-L718 HydrophobicContact CD1-CG 4.41Å; A597-L718 HydrophobicContact CB-CD2 3.95Å; A598-L718 HydrophobicContact CB-CD2 4.31Å; V601-L718 WeakPolarHBondContact CG1-O 3.29Å; V601-L718 HydrophobicContact CG2-CD2 4.1Å; S615-L718 VanDerWaalsContact CB-O 3.3Å; S615-L718 WeakPolarHBondContact CB-O 3.44Å; S615-L718 PolarHBondContact OG-O 3.15Å; C617-L718 HydrophobicContact CB-CD1 3.7Å; F619-L718 HydrophobicContact CE2-CD1 4.34Å; H714-L718 PolarHBondContact O-N 3.49Å; V715-L718 WeakPolarHBondContact O-CB 3.36Å; V715-L718 PolarHBondContact O-N 2.99Å; S716-L718 PolarHBondContact O-N 3.33Å
719R73.7Confident61.7Low76 Ų7643.8 Ų43.829%0.28723%0.229SC..SBendtrans-101.7145.3177.7-57177.5-178.9168.90.7110.4Q602 S716 S717 F723Q602-R719 PolarHBondContact NE2-O 2.87Å; S716-R719 WeakPolarHBondContact O-CB 3.34Å; S716-R719 PolarHBondContact O-N 3.38Å; S717-R719 PolarHBondContact O-N 3.19Å; R719-F723 HydrophobicContact CB-CB 3.8Å; R719-F723 VanDerWaalsContact CD-O 3.27Å; R719-F723 WeakPolarHBondContact CD-O 3.33Å; R719-F723 HydrophobicContact CG-CB 4.46Å
720G56.9Low59.4Low0 Ų049.2 Ų49.20%026%0.257CS..  trans-69.3149.8177.900000111.9L613 S722 F723L613-G720 PolarHBondContact O-N 3.11Å; G720-S722 PolarHBondContact O-N 2.91Å; G720-F723 PolarHBondContact O-N 3.36Å
721N53.6Low57.1Low92 Ų9253 Ų5349%0.49228%0.278SS..THydrogen-bonded Turntrans-23.7-34.7-167.8-72.6-22.6000119.9T611T611-N721 PolarHBondContact O-N 3.46Å
722S42.5Very low54.3Low55 Ų5562 Ų6239%0.38532%0.32SS..THydrogen-bonded Turntrans-86.5-24.6177.462.70000115.4T611 E612 G720T611-S722 PolarHBondContact O-N 2.97Å; E612-S722 VanDerWaalsContact CD-OG 3.22Å; E612-S722 WeakPolarHBondContact CG-OG 3.5Å; E612-S722 WeakPolarHBondContact OE1-CB 3.32Å; E612-S722 PolarHBondContact OE1-OG 3.06Å; G720-S722 PolarHBondContact O-N 2.91Å
723F38.1Very low52.9Low85 Ų8563.9 Ų63.937%0.37333%0.329SS..SBendtrans-981-171.1-83.4-78.8000115.4E612 R719 G720 F725E612-F723 HydrophobicContact CB-CD2 4.21Å; E612-F723 HydrophobicContact CB-CE2 4.04Å; R719-F723 HydrophobicContact CB-CB 3.8Å; R719-F723 VanDerWaalsContact CD-O 3.27Å; R719-F723 WeakPolarHBondContact CD-O 3.33Å; R719-F723 HydrophobicContact CG-CB 4.46Å; G720-F723 PolarHBondContact O-N 3.36Å; F723-F725 PolarHBondContact O-N 2.89Å
724V44.5Very low51.6Low18 Ų1866.2 Ų66.211%0.10934%0.342CS..THydrogen-bonded Turntrans-55.1-25.5179.4179.50000111.4S716S716-V724 VanDerWaalsContact CB-O 3.25Å; S716-V724 WeakPolarHBondContact CB-O 3.3Å; S716-V724 WeakPolarHBondContact OG-CG1 3.42Å
725F42.1Very low50Low38 Ų3867.5 Ų67.517%0.16735%0.35CS..THydrogen-bonded Turntrans-104.412.9-163.5-87.3-80.8000119.6F197 E200 L201 I202 F723 S727F197-F725 HydrophobicContact CE1-CZ 4.36Å; E200-F725 WeakPolarHBondContact O-CD1 3.35Å; E200-F725 WeakPolarHBondContact O-CE1 3.12Å; E200-F725 VanDerWaalsContact O-CZ 3.31Å; E200-F725 WeakPolarHBondContact O-CZ 3.46Å; L201-F725 HydrophobicContact CB-CD2 4.46Å; L201-F725 HydrophobicContact CD2-CB 3.43Å; L201-F725 VanDerWaalsContact CD2-CB 3.43Å; L201-F725 HydrophobicContact CD2-CD2 3.8Å; L201-F725 HydrophobicContact CD2-CG 3.63Å; I202-F725 HydrophobicContact CB-CE2 3.8Å; I202-F725 HydrophobicContact CB-CZ 4.17Å; I202-F725 HydrophobicContact CD1-CE2 3.91Å; I202-F725 HydrophobicContact CD1-CZ 3.6Å; I202-F725 HydrophobicContact CG1-CE2 3.74Å; I202-F725 HydrophobicContact CG1-CZ 3.57Å; F723-F725 PolarHBondContact O-N 2.89Å; F725-S727 PolarHBondContact O-N 3.47Å; F725-S727 VanDerWaalsContact O-N 3.16Å
726N38.2Very low48Very low103 Ų10370.3 Ų70.355%0.55136%0.363SS*.G310 helixtrans-81.527.8165.7-85.5-6.7000113.3
727S35.2Very low46.2Very low29 Ų2973.9 Ų73.920%0.20338%0.38CS..G310 helixtrans-80.4-15.317750.40000113.3F725 F729 L730F725-S727 PolarHBondContact O-N 3.47Å; F725-S727 VanDerWaalsContact O-N 3.16Å; S727-F729 PolarHBondContact O-N 3.29Å; S727-L730 PolarHBondContact O-N 3.12Å
728S33.7Very low44Very low79 Ų7977.7 Ų77.755%0.55240%0.398SS*.G310 helixtrans-62.5-18.5172.449.50000113.5
729F31.5Very low41.3Very low149 Ų14983.1 Ų83.165%0.65443%0.426SS*.G310 helixtrans-86.8-8.5176.9-104.8-81.1000115.1S727S727-F729 PolarHBondContact O-N 3.29Å
730L31.6Very low38.8Very low122 Ų12283.7 Ų83.764%0.63944%0.436SS*.SBendtrans-88.9-7.1179.1-87.5158.6000113.6S727S727-L730 PolarHBondContact O-N 3.12Å
731L32.3Very low37.3Very low110 Ų11090.7 Ų90.758%0.57647%0.473SS*.  trans-1094.8176.7-78.3163.3000113.4I712I712-L731 HydrophobicContact CD1-CD1 4.33Å
732Q24.7Very low35.9Very low208 Ų20890.5 Ų90.597%0.97247%0.471SS*.  trans-103.30161.7-77.4-172.4-6.800109

Retrieved 732 of 732 residues in 1107 ms (Link to these results)

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