A0A077ZHD8_TRITR Loading...

PQQ 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHD8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 361 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
1M79.5Confident90.7Very high104 Ų10481.2 Ų81.251%0.51244%0.441SS..  0125.40-169.7160.7176.500109.1L292 H293 R294 E312M1-L292 CarbonylContact C-O 3.54Å; M1-L292 VanDerWaalsContact CA-O 3.29Å; M1-L292 WeakPolarHBondContact CA-O 3.5Å; M1-H293 HydrophobicContact CB-CB 4.45Å; M1-H293 VanDerWaalsContact CB-O 3.29Å; M1-H293 WeakPolarHBondContact CB-O 3.48Å; M1-H293 WeakPolarHBondContact CG-O 3.38Å; M1-R294 HydrophobicContact CE-CB 3.81Å; M1-R294 HydrophobicContact CE-CG 3.65Å; M1-R294 HydrophobicContact CG-CG 3.83Å; M1-R294 HydrophobicContact SD-CG 4.44Å; M1-E312 HydrophobicContact CE-CB 4.48Å; M1-E312 HydrophobicContact CE-CG 3.64Å; M1-E312 WeakPolarHBondContact CE-OE1 3.41Å; M1-E312 WeakPolarHBondContact CE-OE2 3.49Å
2S83Confident91Very high33 Ų3383.3 Ų83.323%0.23146%0.459CS..PPolyproline II helixtrans-65.4145.9170.5-75.50000110.1D290 L292S2-D290 WeakPolarHBondContact CB-O 3.29Å; S2-L292 PolarHBondContact N-O 3.2Å; S2-L292 VanDerWaalsContact OG-CB 3.24Å; S2-L292 WeakPolarHBondContact OG-CB 3.24Å
3P87.2Confident91.3Very high113 Ų11377.4 Ų77.473%0.73443%0.427SS*.PPolyproline II helixtrans-59.5148.6172.427.5-34000109.9
4L91.2Very high91.6Very high56 Ų5677 Ų7729%0.29343%0.428SS..PPolyproline II helixtrans-57.9124.6174.3-173.877.1000109.6Y314 Q328L4-Y314 HydrophobicContact CD1-CD1 3.98Å; L4-Y314 HydrophobicContact CD1-CD2 4.08Å; L4-Y314 HydrophobicContact CD1-CE1 4.16Å; L4-Y314 HydrophobicContact CD1-CE2 4.24Å; L4-Y314 HydrophobicContact CD1-CG 3.94Å; L4-Y314 HydrophobicContact CD2-CD1 4.02Å; L4-Y314 HydrophobicContact CD2-CE1 3.37Å; L4-Y314 HydrophobicContact CD2-CE2 4.12Å; L4-Y314 VanDerWaalsContact CD2-CZ 3.43Å; L4-Y314 HydrophobicContact CG-CE1 4.42Å; L4-Q328 VanDerWaalsContact CG-NE2 3.32Å
5P90.8Very high92Very high21 Ų2174.8 Ų74.814%0.13642%0.417CS..PPolyproline II helixtrans-67.7148.3179.526.1-32000111.4V7 D290 L291 F325 Q328P5-V7 HydrophobicContact CG-CG2 4.49Å; P5-V7 PolarHBondContact O-N 3.31Å; P5-D290 HydrophobicContact CB-CB 4.11Å; P5-D290 HydrophobicContact CG-CB 4.07Å; P5-L291 HydrophobicContact CG-CD2 4.14Å; P5-F325 HydrophobicContact CB-CD2 4.35Å; P5-F325 HydrophobicContact CB-CE2 3.92Å; P5-F325 HydrophobicContact CG-CD2 4.08Å; P5-F325 HydrophobicContact CG-CE1 4.45Å; P5-F325 HydrophobicContact CG-CE2 3.46Å; P5-F325 VanDerWaalsContact CG-CE2 3.46Å; P5-F325 HydrophobicContact CG-CZ 3.68Å; P5-Q328 PolarHBondContact O-NE2 3.37Å
6T91.5Very high92.3Very high154 Ų15473.6 Ų73.695%0.94542%0.42SS*.PPolyproline II helixtrans-79.3116.2170.6-55.60000108.6
7V93.7Very high92.7Very high29 Ų2970.4 Ų70.418%0.17640%0.4CS..  trans-111.5126.6-178.6-179.30000110.1P5 N9 F325 Q328P5-V7 HydrophobicContact CG-CG2 4.49Å; P5-V7 PolarHBondContact O-N 3.31Å; V7-N9 PolarHBondContact O-N 3.04Å; V7-F325 HydrophobicContact CB-CB 4.29Å; V7-F325 HydrophobicContact CG1-CB 3.69Å; V7-F325 HydrophobicContact CG2-CB 3.57Å; V7-F325 HydrophobicContact CG2-CD1 4.41Å; V7-F325 HydrophobicContact CG2-CD2 3.97Å; V7-F325 HydrophobicContact CG2-CG 3.73Å; V7-Q328 HydrophobicContact CB-CB 3.99Å; V7-Q328 HydrophobicContact CG1-CB 4.31Å; V7-Q328 HydrophobicContact CG2-CB 3.98Å
8E93.7Very high93Very high181 Ų18170.2 Ų70.285%0.84640%0.404SS*.  trans-81.7103164.6-172.4-179.1176.500108.5Q10E8-Q10 PolarHBondContact O-N 3.11Å; E8-Q10 VanDerWaalsContact O-N 3.12Å
9N95.2Very high93.3Very high63 Ų6368 Ų6834%0.33739%0.391SS..  trans-62.3111.8-176.7-84.76.4000111.5V7 F11 A327 Q328V7-N9 PolarHBondContact O-N 3.04Å; N9-F11 WeakPolarHBondContact CB-O 3.33Å; N9-F11 PolarHBondContact O-N 2.95Å; N9-A327 WeakPolarHBondContact OD1-CA 3.48Å; N9-Q328 PolarHBondContact ND2-O 2.9Å; N9-Q328 VanDerWaalsContact ND2-O 3.12Å; N9-Q328 PolarHBondContact OD1-N 2.91Å
10Q96.2Very high93.5Very high119 Ų11967.9 Ų67.956%0.55640%0.395SS*.SBendtrans-72.9-17.7173.4-56.6-164.4-11.700112.4E8 V326E8-Q10 PolarHBondContact O-N 3.11Å; E8-Q10 VanDerWaalsContact O-N 3.12Å; Q10-V326 HydrophobicContact CB-CB 4.49Å; Q10-V326 WeakPolarHBondContact CB-O 3.16Å; Q10-V326 HydrophobicContact CG-CB 4.34Å; Q10-V326 PolarHBondContact N-O 2.85Å
11F95.9Very high93.7Very high20 Ų2064.6 Ų64.69%0.08838%0.376CS..SBendtrans-149160.4166.756.2-89.8000108.4N9 P13 W317 V326 A327 R361N9-F11 WeakPolarHBondContact CB-O 3.33Å; N9-F11 PolarHBondContact O-N 2.95Å; F11-P13 HydrophobicContact CD2-CB 4.45Å; F11-P13 HydrophobicContact CE2-CB 4.27Å; F11-P13 HydrophobicContact CE2-CG 4.39Å; F11-P13 WeakPolarHBondContact O-CD 3.43Å; F11-W317 AromaticContact CE2-CD1 3.96Å; F11-W317 HydrophobicContact CE2-CD2 4.2Å; F11-W317 HydrophobicContact CE2-CG 4.02Å; F11-W317 HydrophobicContact CZ-CB 3.83Å; F11-W317 AromaticContact CZ-CD1 3.55Å; F11-W317 HydrophobicContact CZ-CD2 4.24Å; F11-W317 AromaticContact CZ-CG 3.59Å; F11-W317 HydrophobicContact CZ-CG 3.59Å; F11-V326 HydrophobicContact CE1-CB 4.19Å; F11-V326 HydrophobicContact CE1-CG2 3.68Å; F11-V326 HydrophobicContact CZ-CG2 4.11Å; F11-A327 HydrophobicContact CD1-CB 4.26Å; F11-A327 HydrophobicContact CD2-CB 3.86Å; F11-A327 HydrophobicContact CE1-CB 3.89Å; F11-A327 HydrophobicContact CE2-CB 3.45Å; F11-A327 VanDerWaalsContact CE2-CB 3.45Å; F11-A327 HydrophobicContact CG-CB 4.27Å; F11-A327 HydrophobicContact CZ-CB 3.47Å; F11-A327 VanDerWaalsContact CZ-CB 3.47Å; F11-R361 HydrophobicContact CB-CG 4.14Å; F11-R361 HydrophobicContact CD2-CB 4.44Å; F11-R361 HydrophobicContact CD2-CG 3.58Å; F11-R361 HydrophobicContact CE2-CG 4.09Å; F11-R361 HydrophobicContact CG-CG 3.89Å
12T94.3Very high94.4Very high107 Ų10761.3 Ų61.366%0.65637%0.368SS*.  trans-106.189.1-177.5-570000109.5
13P94.9Very high95Very high6 Ų663.2 Ų63.24%0.03938%0.381CS..  trans-59.6142.8174.828.6-37.3000110.1F11 W317 A327 Q329 T360F11-P13 HydrophobicContact CD2-CB 4.45Å; F11-P13 HydrophobicContact CE2-CB 4.27Å; F11-P13 HydrophobicContact CE2-CG 4.39Å; F11-P13 WeakPolarHBondContact O-CD 3.43Å; P13-W317 HydrophobicContact CB-CE3 4.44Å; P13-W317 HydrophobicContact CB-CH2 3.37Å; P13-W317 HydrophobicContact CB-CZ2 3.55Å; P13-W317 HydrophobicContact CB-CZ3 3.86Å; P13-W317 HydrophobicContact CG-CE3 4.02Å; P13-W317 HydrophobicContact CG-CH2 3.61Å; P13-W317 HydrophobicContact CG-CZ2 4.16Å; P13-W317 HydrophobicContact CG-CZ3 3.54Å; P13-A327 HydrophobicContact CG-CB 4.08Å; P13-Q329 HydrophobicContact CB-CB 4.49Å; P13-Q329 HydrophobicContact CG-CB 3.83Å; P13-Q329 HydrophobicContact CG-CG 4.32Å; P13-Q329 VanDerWaalsContact O-CD 3.31Å; P13-Q329 PolarHBondContact O-NE2 2.89Å; P13-T360 WeakPolarHBondContact CA-O 3.37Å
14T95.4Very high95.3Very high72 Ų7257.9 Ų57.944%0.44235%0.347SS..EExtended strand (participates in β ladder)trans-139.7157.6179.8-1720000111A16 T360T14-A16 PolarHBondContact O-N 2.9Å; T14-T360 HydrophobicContact CG2-CG2 3.48Å; T14-T360 VanDerWaalsContact CG2-CG2 3.48Å; T14-T360 PolarHBondContact N-O 3.27Å; T14-T360 PolarHBondContact O-N 2.71Å
15T97.3Very high95.4Very high44 Ų4455.5 Ų55.527%0.2734%0.335SS..EExtended strand (participates in β ladder)trans-77.3119171.7-60.10000109W17 Y357 S358T15-W17 VanDerWaalsContact CG2-C 3.5Å; T15-W17 WeakPolarHBondContact CG2-O 3.42Å; T15-Y357 HydrophobicContact CG2-CD1 3.72Å; T15-Y357 HydrophobicContact CG2-CE1 4.39Å; T15-S358 CarbonylContact C-O 3.53Å; T15-S358 WeakPolarHBondContact CA-O 3.09Å
16A97.3Very high95.5Very high56 Ų5655.8 Ų55.846%0.46334%0.341SS..EExtended strand (participates in β ladder)trans-70.6-4417300000110.7T14 S358 T360T14-A16 PolarHBondContact O-N 2.9Å; A16-S358 PolarHBondContact N-O 2.79Å; A16-T360 HydrophobicContact CB-CG2 4.26Å
17W98.3Very high95.5Very high19 Ų1956.3 Ų56.37%0.07234%0.338CS..EExtended strand (participates in β ladder)trans-157.9162.6172.456.4-104.3000110.8T15 V41 L53 A55 L348 V356 S358T15-W17 VanDerWaalsContact CG2-C 3.5Å; T15-W17 WeakPolarHBondContact CG2-O 3.42Å; W17-V41 HydrophobicContact CH2-CG2 4.08Å; W17-V41 HydrophobicContact CZ2-CG2 3.88Å; W17-L53 HydrophobicContact CH2-CD1 4.16Å; W17-L53 HydrophobicContact CZ3-CD1 4.13Å; W17-A55 PolarHBondContact NE1-O 3.25Å; W17-L348 HydrophobicContact CH2-CD2 4.17Å; W17-L348 HydrophobicContact CZ2-CD2 3.86Å; W17-V356 HydrophobicContact CH2-CG1 3.78Å; W17-V356 HydrophobicContact CZ3-CB 4.2Å; W17-V356 HydrophobicContact CZ3-CG1 3.9Å; W17-V356 WeakPolarHBondContact CZ3-O 3.34Å; W17-S358 VanDerWaalsContact NE1-CB 3.27Å; W17-S358 PolarHBondContact O-N 3.26Å
18S98.2Very high95.3Very high67 Ų6760.8 Ų60.847%0.46936%0.356SS..EExtended strand (participates in β ladder)trans-138.2132.1173.461.20000110.2V356S18-V356 CarbonylContact C-O 3.54Å; S18-V356 VanDerWaalsContact CA-O 3.3Å; S18-V356 WeakPolarHBondContact CA-O 3.35Å
19T98.4Very high94.9Very high28 Ų2858.5 Ų58.517%0.17234%0.34CS..EExtended strand (participates in β ladder)trans-136.6129.3-179.1-61.80000111L53 G58 V356T19-L53 HydrophobicContact CG2-CD1 3.93Å; T19-L53 HydrophobicContact CG2-CD2 3.9Å; T19-G58 PolarHBondContact OG1-O 3.33Å; T19-V356 PolarHBondContact N-O 3.28Å; T19-V356 PolarHBondContact O-N 2.82Å
20S98Very high94.5Very high65 Ų6555.5 Ų55.546%0.45532%0.324SS..EExtended strand (participates in β ladder)trans-73.9129.6177.6175.10000111.9K51S20-K51 PolarHBondContact O-NZ 2.85Å
21V97.6Very high93.9Very high0 Ų050.3 Ų50.30%030%0.3CS..  trans-118.782172.4-171.40000108.3S23 G24 A43 D45 L49 K51 L53 G354 V356V21-S23 PolarHBondContact O-N 3.21Å; V21-G24 PolarHBondContact O-N 3.16Å; V21-A43 HydrophobicContact CG1-CB 4.34Å; V21-A43 HydrophobicContact CG2-CB 3.95Å; V21-D45 VanDerWaalsContact O-CB 3.31Å; V21-D45 WeakPolarHBondContact O-CB 3.26Å; V21-L49 HydrophobicContact CG1-CD2 4.36Å; V21-K51 HydrophobicContact CG1-CB 4.48Å; V21-K51 HydrophobicContact CG1-CD 4.5Å; V21-K51 HydrophobicContact CG1-CG 4.23Å; V21-K51 HydrophobicContact CG2-CD 4.26Å; V21-L53 HydrophobicContact CG2-CD1 4.43Å; V21-G354 WeakPolarHBondContact CA-O 3.48Å; V21-G354 WeakPolarHBondContact CB-O 3.42Å; V21-G354 PolarHBondContact N-O 3.04Å; V21-V356 HydrophobicContact CB-CG2 4.35Å; V21-V356 HydrophobicContact CG2-CB 4.45Å; V21-V356 HydrophobicContact CG2-CG2 3.57Å
22G94.8Very high93.8Very high34 Ų3449.3 Ų49.335%0.35130%0.296SS..THydrogen-bonded Turntrans64.9-131.5173.500000112.3D45G22-D45 WeakPolarHBondContact CA-OD2 3.3Å
23S94.2Very high93.8Very high73 Ų7344.7 Ų44.751%0.5127%0.267SS..THydrogen-bonded Turntrans-1099.8179.456.70000114V21 D45 D353V21-S23 PolarHBondContact O-N 3.21Å; S23-D45 PolarHBondContact N-OD2 2.82Å; S23-D45 PolarHBondContact OG-OD2 2.68Å; S23-D353 CarbonylContact C-O 3.1Å; S23-D353 WeakPolarHBondContact CA-O 3.48Å; S23-D353 CarbonylContact O-C 3.43Å
24G94.7Very high93.9Very high1 Ų144.4 Ų44.41%0.0127%0.265CS..THydrogen-bonded Turntrans57.2-134.6-177.500000113.3V21 R46 D353 G354V21-G24 PolarHBondContact O-N 3.16Å; G24-R46 WeakPolarHBondContact O-CB 3.41Å; G24-R46 PolarHBondContact O-N 3.31Å; G24-D353 PolarHBondContact N-O 3.47Å; G24-G354 VanDerWaalsContact N-CA 3.32Å
25I93.6Very high94Very high7 Ų741.6 Ų41.64%0.03625%0.249CC..THydrogen-bonded Turntrans-101.7-14.117861.1164.4000111.9N27 F28 L32 Q337 T338 K352I25-N27 PolarHBondContact O-N 3.47Å; I25-F28 WeakPolarHBondContact O-CB 3.45Å; I25-F28 WeakPolarHBondContact O-CD2 3.47Å; I25-F28 PolarHBondContact O-N 2.76Å; I25-F28 VanDerWaalsContact O-N 3.08Å; I25-L32 HydrophobicContact CG2-CB 4.12Å; I25-Q337 HydrophobicContact CD1-CB 4.22Å; I25-T338 HydrophobicContact CD1-CG2 3.79Å; I25-K352 HydrophobicContact CD1-CG 4.24Å; I25-K352 HydrophobicContact CG1-CB 4.42Å; I25-K352 HydrophobicContact CG1-CG 4.25Å; I25-K352 PolarHBondContact N-O 2.97Å; I25-K352 VanDerWaalsContact N-O 3.14Å
26G93.1Very high94Very high27 Ų2740.4 Ų40.428%0.27824%0.241SC..THydrogen-bonded Turntrans54.9-131-174.300000112.2F28 K352G26-F28 VanDerWaalsContact C-N 3.34Å; G26-K352 WeakPolarHBondContact CA-O 3.32Å; G26-K352 PolarHBondContact N-O 2.88Å; G26-K352 WeakPolarHBondContact O-CB 3.48Å
27N90.5Very high94Very high164 Ų16438.8 Ų38.888%0.87723%0.228SC*.THydrogen-bonded Turntrans-92.66.4176.1-64.8-43000113I25I25-N27 PolarHBondContact O-N 3.47Å
28F90Very high93.8Very high124 Ų12444.9 Ų44.954%0.54426%0.262SS..SBendtrans-81.4135.3176.8-61.6-82.5000109.3I25 G26 S30I25-F28 WeakPolarHBondContact O-CB 3.45Å; I25-F28 WeakPolarHBondContact O-CD2 3.47Å; I25-F28 PolarHBondContact O-N 2.76Å; I25-F28 VanDerWaalsContact O-N 3.08Å; G26-F28 VanDerWaalsContact C-N 3.34Å; F28-S30 PolarHBondContact O-N 2.97Å
29Y85Confident93.7Very high133 Ų13344.4 Ų44.452%0.52225%0.254SS..  trans-66.9127.2166.8-174.6-90.3000108.6R164Y29-R164 WeakPolarHBondContact CE1-O 3.48Å
30S86Confident93.7Very high0 Ų044.2 Ų44.20%025%0.253CS..  trans-154.4146.6-176.1-174.60000109.1F28 L32 Q337F28-S30 PolarHBondContact O-N 2.97Å; S30-L32 VanDerWaalsContact C-N 3.25Å; S30-L32 WeakPolarHBondContact OG-CB 3.09Å; S30-L32 PolarHBondContact OG-N 2.95Å; S30-Q337 PolarHBondContact O-NE2 3.43Å; S30-Q337 PolarHBondContact O-OE1 2.66Å
31N85.3Confident93.7Very high9 Ų941.1 Ų41.15%0.04823%0.231CC..EExtended strand (participates in β ladder)trans-94.915.5174.5-57.9-37.4000111.1H33 S81 L121 G165 E166N31-H33 PolarHBondContact O-CD2 2.88Å; N31-H33 VanDerWaalsContact O-CD2 3.23Å; N31-H33 PolarHBondContact O-N 3.24Å; N31-H33 VanDerWaalsContact O-N 3.1Å; N31-S81 CarbonylContact C-O 3.54Å; N31-S81 PolarHBondContact N-O 2.79Å; N31-L121 PolarHBondContact ND2-O 3.34Å; N31-G165 PolarHBondContact ND2-O 2.95Å; N31-E166 HydrophobicContact CB-CB 4.42Å; N31-E166 HydrophobicContact CB-CG 4.3Å; N31-E166 WeakPolarHBondContact CB-OE2 3.21Å
32L92.7Very high93.7Very high0 Ų041.6 Ų41.60%023%0.233CC..EExtended strand (participates in β ladder)trans-76.4100.4-176.2-169.869000109.4I25 S30 A44 L80 S81 G83 V84 I93 T338I25-L32 HydrophobicContact CG2-CB 4.12Å; S30-L32 VanDerWaalsContact C-N 3.25Å; S30-L32 WeakPolarHBondContact OG-CB 3.09Å; S30-L32 PolarHBondContact OG-N 2.95Å; L32-A44 HydrophobicContact CD1-CB 4.2Å; L32-A44 HydrophobicContact CD2-CB 4.04Å; L32-A44 WeakPolarHBondContact CD2-O 3.35Å; L32-A44 HydrophobicContact CG-CB 4.42Å; L32-L80 HydrophobicContact CD1-CB 4.21Å; L32-L80 HydrophobicContact CD2-CB 4.02Å; L32-S81 WeakPolarHBondContact CA-O 3.05Å; L32-S81 PolarHBondContact N-O 3.32Å; L32-G83 CarbonylContact C-O 3.58Å; L32-G83 VanDerWaalsContact CA-O 3.31Å; L32-G83 WeakPolarHBondContact CA-O 3.44Å; L32-V84 HydrophobicContact CD1-CG2 4.29Å; L32-I93 HydrophobicContact CD1-CG2 4.05Å; L32-T338 WeakPolarHBondContact O-CG2 3.4Å
33H94.2Very high93.9Very high9 Ų940 Ų404%0.04222%0.216CC..  trans-119160.1178.46675.8000111N31 G83 V84 R123 E339N31-H33 PolarHBondContact O-CD2 2.88Å; N31-H33 VanDerWaalsContact O-CD2 3.23Å; N31-H33 PolarHBondContact O-N 3.24Å; N31-H33 VanDerWaalsContact O-N 3.1Å; H33-G83 PolarHBondContact CD2-O 2.78Å; H33-G83 PolarHBondContact N-O 3.32Å; H33-G83 CarbonylContact O-C 3.45Å; H33-V84 WeakPolarHBondContact O-CG2 3.47Å; H33-V84 PolarHBondContact O-N 3.31Å; H33-R123 VanDerWaalsContact CE1-CD 3.4Å; H33-R123 WeakPolarHBondContact CE1-CD 3.15Å; H33-R123 PolarHBondContact CE1-NE 2.82Å; H33-R123 VanDerWaalsContact CE1-NE 3.33Å; H33-R123 WeakPolarHBondContact NE2-CD 3.35Å; H33-R123 PolarHBondContact NE2-NE 3.42Å; H33-E339 HydrophobicContact CB-CB 4.28Å; H33-E339 IonicContact CD2-OE2 3.83Å; H33-E339 IonicContact NE2-OE2 3.21Å
34P97.3Very high94.1Very high0 Ų036.5 Ų36.50%019%0.192CC..  trans-63.5164.6176.2-19.932.2000112.7V41 Y42 A43 V341 Q350 V356P34-V41 HydrophobicContact CB-CG1 4.27Å; P34-Y42 CarbonylContact C-O 3.54Å; P34-Y42 WeakPolarHBondContact CA-O 3.18Å; P34-A43 HydrophobicContact CB-CB 4.48Å; P34-V341 VanDerWaalsContact O-CG2 3.29Å; P34-V341 WeakPolarHBondContact O-CG2 3.01Å; P34-Q350 HydrophobicContact CG-CB 3.71Å; P34-V356 HydrophobicContact CG-CG1 4.42Å
35A97.7Very high94.2Very high13 Ų1336.9 Ų36.911%0.10719%0.193CC..EExtended strand (participates in β ladder)trans-128.4154.8163.500000110.1V41 Y42 V84 V86A35-V41 CarbonylContact O-C 3.48Å; A35-V41 WeakPolarHBondContact O-CA 3.48Å; A35-Y42 PolarHBondContact N-O 3.48Å; A35-Y42 PolarHBondContact O-N 2.97Å; A35-V84 HydrophobicContact CB-CB 4.02Å; A35-V84 HydrophobicContact CB-CG1 3.97Å; A35-V84 WeakPolarHBondContact CB-O 3.26Å; A35-V86 HydrophobicContact CB-CG2 3.78Å
36L97.5Very high94.4Very high19 Ų1938.1 Ų38.110%0.09920%0.198CC..EExtended strand (participates in β ladder)trans-130.8125.6175.4173.959000109V40 V41 A55 A343 D344 K346 L348L36-V40 WeakPolarHBondContact CA-O 3.07Å; L36-V40 WeakPolarHBondContact CD1-O 3.38Å; L36-V41 HydrophobicContact CD1-CG2 4.16Å; L36-A55 HydrophobicContact CD1-CB 3.64Å; L36-A343 HydrophobicContact CB-CB 4.39Å; L36-A343 HydrophobicContact CD2-CB 4.25Å; L36-A343 VanDerWaalsContact CD2-O 3.26Å; L36-A343 WeakPolarHBondContact CD2-O 3.34Å; L36-D344 HydrophobicContact CD2-CB 4.05Å; L36-D344 HydrophobicContact CG-CB 4.43Å; L36-K346 HydrophobicContact CD2-CB 3.95Å; L36-K346 HydrophobicContact CD2-CD 4.09Å; L36-K346 HydrophobicContact CD2-CG 4.44Å; L36-L348 HydrophobicContact CB-CD1 3.74Å; L36-L348 HydrophobicContact CD2-CD1 3.99Å; L36-L348 HydrophobicContact CG-CD1 4.31Å
37A95.8Very high94.5Very high23 Ų2338.6 Ų38.619%0.1920%0.199CC..EExtended strand (participates in β ladder)trans-150.2139.7171.300000109.4N39 V40 Y42 V86A37-N39 VanDerWaalsContact C-N 3.26Å; A37-N39 PolarHBondContact O-N 2.89Å; A37-V40 PolarHBondContact N-O 3.38Å; A37-V40 VanDerWaalsContact N-O 3.11Å; A37-V40 PolarHBondContact O-N 2.96Å; A37-Y42 HydrophobicContact CB-CE2 4.45Å; A37-V86 HydrophobicContact CB-CB 4.38Å; A37-V86 HydrophobicContact CB-CG1 4.05Å
38D94.3Very high94.8Very high147 Ų14730.8 Ų30.879%0.78616%0.158SC*.THydrogen-bonded Turntrans52.641175.7-59.5-47000113.5V40D38-V40 PolarHBondContact O-N 2.79Å
39N96.3Very high95.2Very high56 Ų5626.8 Ų26.830%0.29914%0.141SC..THydrogen-bonded Turntrans61.621.2-177.2-158.546.8000114.6A37 A55 D56 K346A37-N39 VanDerWaalsContact C-N 3.26Å; A37-N39 PolarHBondContact O-N 2.89Å; N39-A55 VanDerWaalsContact O-CB 3.27Å; N39-A55 WeakPolarHBondContact O-CB 3.22Å; N39-A55 PolarHBondContact O-N 3.31Å; N39-A55 WeakPolarHBondContact OD1-CB 3.49Å; N39-D56 PolarHBondContact ND2-OD2 3.38Å; N39-D56 PolarHBondContact OD1-OD1 3.19Å; N39-K346 WeakPolarHBondContact OD1-CE 3.27Å
40V98.3Very high95.8Very high25 Ų2520.4 Ų20.415%0.15212%0.117CC..EExtended strand (participates in β ladder)trans-116.5124.6173.6-177.90000109.8L36 A37 D38 Y42 A52 L53 I61L36-V40 WeakPolarHBondContact CA-O 3.07Å; L36-V40 WeakPolarHBondContact CD1-O 3.38Å; A37-V40 PolarHBondContact N-O 3.38Å; A37-V40 VanDerWaalsContact N-O 3.11Å; A37-V40 PolarHBondContact O-N 2.96Å; D38-V40 PolarHBondContact O-N 2.79Å; V40-Y42 HydrophobicContact CB-CE2 3.8Å; V40-Y42 HydrophobicContact CG1-CD1 4.26Å; V40-Y42 HydrophobicContact CG1-CD2 4.24Å; V40-Y42 HydrophobicContact CG1-CE1 3.72Å; V40-Y42 HydrophobicContact CG1-CE2 3.71Å; V40-Y42 VanDerWaalsContact CG1-CZ 3.42Å; V40-Y42 WeakPolarHBondContact O-CD2 3.14Å; V40-Y42 WeakPolarHBondContact O-CE2 3.36Å; V40-A52 HydrophobicContact CG1-CB 3.67Å; V40-L53 CarbonylContact C-O 3.58Å; V40-L53 WeakPolarHBondContact CA-O 3.33Å; V40-I61 HydrophobicContact CB-CD1 4.43Å; V40-I61 HydrophobicContact CG1-CD1 3.98Å; V40-I61 HydrophobicContact CG2-CD1 3.78Å
41V98.5Very high96.4Very high0 Ų021.9 Ų21.90%012%0.123CC..EExtended strand (participates in β ladder)trans-87.1124.6170.9-176.60000109W17 P34 A35 L36 A52 L53 A55 L348 V356W17-V41 HydrophobicContact CH2-CG2 4.08Å; W17-V41 HydrophobicContact CZ2-CG2 3.88Å; P34-V41 HydrophobicContact CB-CG1 4.27Å; A35-V41 CarbonylContact O-C 3.48Å; A35-V41 WeakPolarHBondContact O-CA 3.48Å; L36-V41 HydrophobicContact CD1-CG2 4.16Å; V41-A52 CarbonylContact O-C 3.59Å; V41-A52 VanDerWaalsContact O-CA 3.27Å; V41-A52 WeakPolarHBondContact O-CA 3.31Å; V41-L53 HydrophobicContact CB-CB 4.18Å; V41-L53 PolarHBondContact N-O 2.83Å; V41-L53 PolarHBondContact O-N 3.07Å; V41-A55 HydrophobicContact CG2-CB 3.68Å; V41-L348 HydrophobicContact CB-CD1 4.29Å; V41-L348 HydrophobicContact CG1-CD1 3.85Å; V41-L348 HydrophobicContact CG2-CD1 3.56Å; V41-L348 HydrophobicContact CG2-CD2 4.07Å; V41-L348 HydrophobicContact CG2-CG 4.49Å; V41-V356 HydrophobicContact CG1-CG1 4.3Å
42Y98.6Very high97Very high10 Ų1021.4 Ų21.44%0.03912%0.121CC..EExtended strand (participates in β ladder)trans-105.1118171.7-55.6-88.9000108.1P34 A35 A37 V40 K51 A52 W62 V86 V91 T105P34-Y42 CarbonylContact C-O 3.54Å; P34-Y42 WeakPolarHBondContact CA-O 3.18Å; A35-Y42 PolarHBondContact N-O 3.48Å; A35-Y42 PolarHBondContact O-N 2.97Å; A37-Y42 HydrophobicContact CB-CE2 4.45Å; V40-Y42 HydrophobicContact CB-CE2 3.8Å; V40-Y42 HydrophobicContact CG1-CD1 4.26Å; V40-Y42 HydrophobicContact CG1-CD2 4.24Å; V40-Y42 HydrophobicContact CG1-CE1 3.72Å; V40-Y42 HydrophobicContact CG1-CE2 3.71Å; V40-Y42 VanDerWaalsContact CG1-CZ 3.42Å; V40-Y42 WeakPolarHBondContact O-CD2 3.14Å; V40-Y42 WeakPolarHBondContact O-CE2 3.36Å; Y42-K51 WeakPolarHBondContact CA-O 3.29Å; Y42-A52 HydrophobicContact CD1-CB 4.15Å; Y42-A52 HydrophobicContact CE1-CB 4.11Å; Y42-W62 HydrophobicContact CD1-CH2 4.31Å; Y42-W62 AromaticContact CD1-CZ2 3.84Å; Y42-W62 HydrophobicContact CD1-CZ2 3.84Å; Y42-W62 AromaticContact CE1-CZ2 3.89Å; Y42-W62 HydrophobicContact CE1-CZ2 3.89Å; Y42-V86 HydrophobicContact CD2-CG1 4.42Å; Y42-V86 HydrophobicContact CD2-CG2 3.47Å; Y42-V86 VanDerWaalsContact CD2-CG2 3.47Å; Y42-V86 HydrophobicContact CE2-CG1 4.02Å; Y42-V86 HydrophobicContact CE2-CG2 3.94Å; Y42-V86 HydrophobicContact CG-CG2 3.91Å; Y42-V91 HydrophobicContact CD1-CG2 3.4Å; Y42-V91 VanDerWaalsContact CD1-CG2 3.4Å; Y42-V91 HydrophobicContact CE1-CG2 3.62Å; Y42-V91 HydrophobicContact CG-CG2 4Å; Y42-T105 HydrophobicContact CE1-CG2 4.03Å; Y42-T105 WeakPolarHBondContact OH-CB 3.48Å
43A98.4Very high97.3Very high0 Ų021.4 Ų21.40%012%0.121CC..EExtended strand (participates in β ladder)trans-135.1151-179.200000109.7V21 P34 V50 K51 V356V21-A43 HydrophobicContact CG1-CB 4.34Å; V21-A43 HydrophobicContact CG2-CB 3.95Å; P34-A43 HydrophobicContact CB-CB 4.48Å; A43-V50 WeakPolarHBondContact O-CA 3.34Å; A43-K51 PolarHBondContact N-O 2.93Å; A43-K51 PolarHBondContact O-N 3.01Å; A43-V356 HydrophobicContact CB-CG2 3.64Å
44A98.4Very high97.5Very high0 Ų023.3 Ų23.30%013%0.131CC..EExtended strand (participates in β ladder)trans-137.7159.8-178.300000111.3L32 L49 V50 L80 V84 I93 Q350L32-A44 HydrophobicContact CD1-CB 4.2Å; L32-A44 HydrophobicContact CD2-CB 4.04Å; L32-A44 WeakPolarHBondContact CD2-O 3.35Å; L32-A44 HydrophobicContact CG-CB 4.42Å; A44-L49 CarbonylContact C-O 3.53Å; A44-L49 WeakPolarHBondContact CA-O 3.1Å; A44-L49 WeakPolarHBondContact CB-O 3.31Å; A44-V50 HydrophobicContact CB-CB 4.46Å; A44-V50 HydrophobicContact CB-CG1 4.36Å; A44-V50 HydrophobicContact CB-CG2 4.01Å; A44-L80 HydrophobicContact CB-CD1 3.9Å; A44-V84 HydrophobicContact CB-CG2 4.29Å; A44-I93 HydrophobicContact CB-CD1 4.02Å; A44-Q350 PolarHBondContact O-NE2 3.49Å
45D97.6Very high97.5Very high8 Ų823.3 Ų23.34%0.04313%0.131CC..  trans-108.4155.416897.4-23.9000110.3V21 G22 S23 A47 G48 L49 L80V21-D45 VanDerWaalsContact O-CB 3.31Å; V21-D45 WeakPolarHBondContact O-CB 3.26Å; G22-D45 WeakPolarHBondContact CA-OD2 3.3Å; S23-D45 PolarHBondContact N-OD2 2.82Å; S23-D45 PolarHBondContact OG-OD2 2.68Å; D45-A47 PolarHBondContact O-N 2.91Å; D45-A47 WeakPolarHBondContact OD1-CA 2.99Å; D45-A47 PolarHBondContact OD1-N 2.92Å; D45-A47 VanDerWaalsContact OD1-N 3.14Å; D45-G48 PolarHBondContact O-N 3.48Å; D45-G48 VanDerWaalsContact O-N 3.12Å; D45-G48 PolarHBondContact OD1-N 3.43Å; D45-L49 HydrophobicContact CB-CB 4.37Å; D45-L49 PolarHBondContact N-O 2.75Å; D45-L49 WeakPolarHBondContact OD1-CB 3.43Å; D45-L49 PolarHBondContact OD1-N 3.24Å; D45-L80 WeakPolarHBondContact O-CD1 3.46Å
46R96.7Very high97.5Very high33 Ų3327.4 Ų27.413%0.12515%0.151CC..THydrogen-bonded Turntrans-61.6-28.8-178.4-179.5168.3177.9-82.4-2.5112G24 G48 L79 L80 E96G24-R46 WeakPolarHBondContact O-CB 3.41Å; G24-R46 PolarHBondContact O-N 3.31Å; R46-G48 VanDerWaalsContact C-N 3.27Å; R46-G48 PolarHBondContact O-N 3.12Å; R46-L79 CarbonylContact O-C 3.49Å; R46-L79 WeakPolarHBondContact O-CA 3.4Å; R46-L79 PolarHBondContact O-N 3.49Å; R46-L80 PolarHBondContact O-N 3.48Å; R46-E96 IonicContact CZ-OE1 2.78Å; R46-E96 IonicContact CZ-OE2 3.42Å; R46-E96 IonicContact NE-OE1 3.64Å; R46-E96 PolarHBondContact NE-OE1 2.79Å; R46-E96 IonicContact NH2-OE1 2.82Å; R46-E96 PolarHBondContact NH2-OE1 3.45Å; R46-E96 IonicContact NH2-OE2 3.42Å; R46-E96 PolarHBondContact NH2-OE2 2.84Å
47A95.7Very high97.5Very high38 Ų3829.5 Ų29.531%0.31416%0.162SC..THydrogen-bonded Turntrans-71.8-20.3-179.700000113.3D45 P77 A78D45-A47 PolarHBondContact O-N 2.91Å; D45-A47 WeakPolarHBondContact OD1-CA 2.99Å; D45-A47 PolarHBondContact OD1-N 2.92Å; D45-A47 VanDerWaalsContact OD1-N 3.14Å; A47-P77 WeakPolarHBondContact O-CA 3.03Å; A47-A78 PolarHBondContact O-N 3.17Å
48G96.3Very high97.6Very high0 Ų028.5 Ų28.50%015%0.154CC..SBendtrans123.82.1171.400000115.2D45 R46 V50 S65 L66D45-G48 PolarHBondContact O-N 3.48Å; D45-G48 VanDerWaalsContact O-N 3.12Å; D45-G48 PolarHBondContact OD1-N 3.43Å; R46-G48 VanDerWaalsContact C-N 3.27Å; R46-G48 PolarHBondContact O-N 3.12Å; G48-V50 PolarHBondContact O-N 3.15Å; G48-S65 CarbonylContact O-C 3.5Å; G48-S65 WeakPolarHBondContact O-CA 3.48Å; G48-L66 PolarHBondContact O-N 3.16Å
49L97.8Very high97.8Very high39 Ų3928 Ų2820%0.20415%0.145CC..EExtended strand (participates in β ladder)trans-66.7130.7170.1-173.969.2000109.1V21 A44 D45 K51 S63 V64V21-L49 HydrophobicContact CG1-CD2 4.36Å; A44-L49 CarbonylContact C-O 3.53Å; A44-L49 WeakPolarHBondContact CA-O 3.1Å; A44-L49 WeakPolarHBondContact CB-O 3.31Å; D45-L49 HydrophobicContact CB-CB 4.37Å; D45-L49 PolarHBondContact N-O 2.75Å; D45-L49 WeakPolarHBondContact OD1-CB 3.43Å; D45-L49 PolarHBondContact OD1-N 3.24Å; L49-K51 HydrophobicContact CD2-CG 4.42Å; L49-K51 HydrophobicContact CG-CG 4.32Å; L49-S63 WeakPolarHBondContact CD1-OG 3.27Å; L49-V64 WeakPolarHBondContact CA-O 3.19Å
50V98.5Very high97.9Very high0 Ų030.1 Ų30.10%015%0.153CC..EExtended strand (participates in β ladder)trans-125.6133.2171.7-170.70000107.6A43 A44 G48 W62 S63 V64 L66 L80 I93 L103A43-V50 WeakPolarHBondContact O-CA 3.34Å; A44-V50 HydrophobicContact CB-CB 4.46Å; A44-V50 HydrophobicContact CB-CG1 4.36Å; A44-V50 HydrophobicContact CB-CG2 4.01Å; G48-V50 PolarHBondContact O-N 3.15Å; V50-W62 HydrophobicContact CB-CZ3 4.14Å; V50-W62 HydrophobicContact CG1-CH2 3.79Å; V50-W62 HydrophobicContact CG1-CZ3 3.84Å; V50-W62 WeakPolarHBondContact O-CZ3 3.24Å; V50-S63 WeakPolarHBondContact O-CA 3.5Å; V50-V64 HydrophobicContact CB-CG2 4.03Å; V50-V64 PolarHBondContact N-O 3.29Å; V50-V64 PolarHBondContact O-N 2.99Å; V50-L66 HydrophobicContact CG2-CD1 3.8Å; V50-L66 HydrophobicContact CG2-CG 4Å; V50-L80 HydrophobicContact CG2-CD1 4.01Å; V50-I93 HydrophobicContact CG1-CD1 4.07Å; V50-I93 HydrophobicContact CG2-CD1 3.88Å; V50-L103 HydrophobicContact CB-CD1 4.1Å; V50-L103 HydrophobicContact CG1-CD1 3.94Å; V50-L103 HydrophobicContact CG2-CD1 4.07Å
51K98.7Very high97.9Very high30 Ų3033.2 Ų33.213%0.1317%0.168CC..EExtended strand (participates in β ladder)trans-125.5142.5177.8-66.2-163.3-178.5-163.10111.1S20 V21 Y42 A43 L49 L53 E60 W62S20-K51 PolarHBondContact O-NZ 2.85Å; V21-K51 HydrophobicContact CG1-CB 4.48Å; V21-K51 HydrophobicContact CG1-CD 4.5Å; V21-K51 HydrophobicContact CG1-CG 4.23Å; V21-K51 HydrophobicContact CG2-CD 4.26Å; Y42-K51 WeakPolarHBondContact CA-O 3.29Å; A43-K51 PolarHBondContact N-O 2.93Å; A43-K51 PolarHBondContact O-N 3.01Å; L49-K51 HydrophobicContact CD2-CG 4.42Å; L49-K51 HydrophobicContact CG-CG 4.32Å; K51-L53 HydrophobicContact CB-CD2 3.9Å; K51-L53 HydrophobicContact CB-CG 4.39Å; K51-L53 HydrophobicContact CD-CD2 4Å; K51-E60 HydrophobicContact CD-CG 4.45Å; K51-E60 WeakPolarHBondContact CD-OE2 3.48Å; K51-E60 WeakPolarHBondContact CE-OE2 3.15Å; K51-E60 IonicContact NZ-OE2 2.74Å; K51-E60 PolarHBondContact NZ-OE2 2.89Å; K51-W62 WeakPolarHBondContact CA-O 3.42Å
52A98.7Very high97.9Very high0 Ų034.2 Ų34.20%017%0.172CC..EExtended strand (participates in β ladder)trans-99.7131.4155.700000109.2V40 V41 Y42 I61 W62V40-A52 HydrophobicContact CG1-CB 3.67Å; V41-A52 CarbonylContact O-C 3.59Å; V41-A52 VanDerWaalsContact O-CA 3.27Å; V41-A52 WeakPolarHBondContact O-CA 3.31Å; Y42-A52 HydrophobicContact CD1-CB 4.15Å; Y42-A52 HydrophobicContact CE1-CB 4.11Å; A52-I61 HydrophobicContact CB-CB 4.13Å; A52-I61 PolarHBondContact O-N 3.39Å; A52-W62 HydrophobicContact CB-CD2 3.6Å; A52-W62 HydrophobicContact CB-CE3 4.31Å; A52-W62 HydrophobicContact CB-CG 3.89Å; A52-W62 HydrophobicContact CB-CH2 4.27Å; A52-W62 HydrophobicContact CB-CZ2 3.59Å; A52-W62 PolarHBondContact N-O 2.83Å; A52-W62 PolarHBondContact O-N 2.99Å
53L98.7Very high97.9Very high0 Ų036 Ų360%019%0.185CC..EExtended strand (participates in β ladder)trans-122142.9178.9-44.6174.3000109.4W17 T19 V21 V40 V41 K51 A55 K59 E60W17-L53 HydrophobicContact CH2-CD1 4.16Å; W17-L53 HydrophobicContact CZ3-CD1 4.13Å; T19-L53 HydrophobicContact CG2-CD1 3.93Å; T19-L53 HydrophobicContact CG2-CD2 3.9Å; V21-L53 HydrophobicContact CG2-CD1 4.43Å; V40-L53 CarbonylContact C-O 3.58Å; V40-L53 WeakPolarHBondContact CA-O 3.33Å; V41-L53 HydrophobicContact CB-CB 4.18Å; V41-L53 PolarHBondContact N-O 2.83Å; V41-L53 PolarHBondContact O-N 3.07Å; K51-L53 HydrophobicContact CB-CD2 3.9Å; K51-L53 HydrophobicContact CB-CG 4.39Å; K51-L53 HydrophobicContact CD-CD2 4Å; L53-A55 PolarHBondContact O-N 3.27Å; L53-K59 CarbonylContact C-O 3.59Å; L53-K59 VanDerWaalsContact CA-O 3.27Å; L53-K59 WeakPolarHBondContact CA-O 3.46Å; L53-E60 HydrophobicContact CD2-CB 4.29Å
54N98.2Very high97.9Very high49 Ų4937.7 Ų37.726%0.26220%0.195SC..EExtended strand (participates in β ladder)trans-66123.9168.7-178.1-53.7000108.9D56 D57 G58 K59 I61N54-D56 PolarHBondContact O-N 2.87Å; N54-D56 WeakPolarHBondContact OD1-CB 3.34Å; N54-D56 PolarHBondContact OD1-N 2.98Å; N54-D57 WeakPolarHBondContact CB-OD1 3.4Å; N54-D57 PolarHBondContact O-N 3.06Å; N54-G58 VanDerWaalsContact O-CA 3.27Å; N54-G58 WeakPolarHBondContact O-CA 3.17Å; N54-G58 PolarHBondContact O-N 2.8Å; N54-K59 PolarHBondContact N-O 3.42Å; N54-I61 HydrophobicContact CB-CD1 4.27Å; N54-I61 HydrophobicContact CB-CG1 4.31Å
55A97.8Very high97.8Very high0 Ų040.9 Ų40.90%022%0.218CC..THydrogen-bonded Turntrans-74-10.8-172.900000114W17 L36 N39 V41 L53 K346W17-A55 PolarHBondContact NE1-O 3.25Å; L36-A55 HydrophobicContact CD1-CB 3.64Å; N39-A55 VanDerWaalsContact O-CB 3.27Å; N39-A55 WeakPolarHBondContact O-CB 3.22Å; N39-A55 PolarHBondContact O-N 3.31Å; N39-A55 WeakPolarHBondContact OD1-CB 3.49Å; V41-A55 HydrophobicContact CG2-CB 3.68Å; L53-A55 PolarHBondContact O-N 3.27Å; A55-K346 HydrophobicContact CB-CD 3.69Å; A55-K346 WeakPolarHBondContact O-CE 3.29Å; A55-K346 PolarHBondContact O-NZ 3.44Å
56D96.7Very high97.7Very high99 Ų9941.1 Ų41.153%0.52922%0.219SC..THydrogen-bonded Turntrans-81.9-38.4175.7-64.3-39000112.9N39 N54 K346N39-D56 PolarHBondContact ND2-OD2 3.38Å; N39-D56 PolarHBondContact OD1-OD1 3.19Å; N54-D56 PolarHBondContact O-N 2.87Å; N54-D56 WeakPolarHBondContact OD1-CB 3.34Å; N54-D56 PolarHBondContact OD1-N 2.98Å; D56-K346 IonicContact OD1-NZ 3.45Å; D56-K346 PolarHBondContact OD1-NZ 2.8Å
57D97.6Very high97.5Very high63 Ų6340.3 Ų40.334%0.33722%0.219SC..THydrogen-bonded Turntrans-130.4-1-172.571.51.1000115.2N54 K59N54-D57 WeakPolarHBondContact CB-OD1 3.4Å; N54-D57 PolarHBondContact O-N 3.06Å; D57-K59 PolarHBondContact O-N 2.87Å; D57-K59 VanDerWaalsContact OD1-CB 3.31Å; D57-K59 WeakPolarHBondContact OD1-CB 3.46Å; D57-K59 WeakPolarHBondContact OD1-CG 3.36Å; D57-K59 PolarHBondContact OD1-N 2.78Å; D57-K59 VanDerWaalsContact OD2-CD 3.27Å; D57-K59 WeakPolarHBondContact OD2-CD 3.36Å; D57-K59 VanDerWaalsContact OD2-CE 3.29Å; D57-K59 WeakPolarHBondContact OD2-CE 3.39Å; D57-K59 IonicContact OD2-NZ 2.69Å; D57-K59 PolarHBondContact OD2-NZ 3.23Å
58G98Very high96.9Very high1 Ų142.6 Ų42.61%0.0122%0.223CC..  trans73.57.1178.200000114.3T19 N54T19-G58 PolarHBondContact OG1-O 3.33Å; N54-G58 VanDerWaalsContact O-CA 3.27Å; N54-G58 WeakPolarHBondContact O-CA 3.17Å; N54-G58 PolarHBondContact O-N 2.8Å
59K98.4Very high96Very high136 Ų13650.8 Ų50.859%0.59126%0.259SS*.  trans-70.6140.1-179.9-72-174.2-170.31240111.7L53 N54 D57 I61L53-K59 CarbonylContact C-O 3.59Å; L53-K59 VanDerWaalsContact CA-O 3.27Å; L53-K59 WeakPolarHBondContact CA-O 3.46Å; N54-K59 PolarHBondContact N-O 3.42Å; D57-K59 PolarHBondContact O-N 2.87Å; D57-K59 VanDerWaalsContact OD1-CB 3.31Å; D57-K59 WeakPolarHBondContact OD1-CB 3.46Å; D57-K59 WeakPolarHBondContact OD1-CG 3.36Å; D57-K59 PolarHBondContact OD1-N 2.78Å; D57-K59 VanDerWaalsContact OD2-CD 3.27Å; D57-K59 WeakPolarHBondContact OD2-CD 3.36Å; D57-K59 VanDerWaalsContact OD2-CE 3.29Å; D57-K59 WeakPolarHBondContact OD2-CE 3.39Å; D57-K59 IonicContact OD2-NZ 2.69Å; D57-K59 PolarHBondContact OD2-NZ 3.23Å; K59-I61 PolarHBondContact O-N 3.29Å
60E98.6Very high94.5Very high102 Ų10256 Ų5648%0.47729%0.287SS..EExtended strand (participates in β ladder)trans-63.4123.7175.7-169.9174.9119.700111.1K51 L53 S63K51-E60 HydrophobicContact CD-CG 4.45Å; K51-E60 WeakPolarHBondContact CD-OE2 3.48Å; K51-E60 WeakPolarHBondContact CE-OE2 3.15Å; K51-E60 IonicContact NZ-OE2 2.74Å; K51-E60 PolarHBondContact NZ-OE2 2.89Å; L53-E60 HydrophobicContact CD2-CB 4.29Å; E60-S63 VanDerWaalsContact CD-CB 3.48Å; E60-S63 WeakPolarHBondContact OE1-CB 3.44Å
61I98.5Very high92.6Very high90 Ų9057 Ų5746%0.46230%0.297SS..EExtended strand (participates in β ladder)trans-87.2-48.5170.1-61.9175.1000108.9V40 A52 N54 K59V40-I61 HydrophobicContact CB-CD1 4.43Å; V40-I61 HydrophobicContact CG1-CD1 3.98Å; V40-I61 HydrophobicContact CG2-CD1 3.78Å; A52-I61 HydrophobicContact CB-CB 4.13Å; A52-I61 PolarHBondContact O-N 3.39Å; N54-I61 HydrophobicContact CB-CD1 4.27Å; N54-I61 HydrophobicContact CB-CG1 4.31Å; K59-I61 PolarHBondContact O-N 3.29Å
62W98.6Very high90.7Very high21 Ų2166.9 Ų66.98%0.0833%0.334CS..EExtended strand (participates in β ladder)trans-152164172.158-109.2000111Y42 V50 K51 A52 V64 T105Y42-W62 HydrophobicContact CD1-CH2 4.31Å; Y42-W62 AromaticContact CD1-CZ2 3.84Å; Y42-W62 HydrophobicContact CD1-CZ2 3.84Å; Y42-W62 AromaticContact CE1-CZ2 3.89Å; Y42-W62 HydrophobicContact CE1-CZ2 3.89Å; V50-W62 HydrophobicContact CB-CZ3 4.14Å; V50-W62 HydrophobicContact CG1-CH2 3.79Å; V50-W62 HydrophobicContact CG1-CZ3 3.84Å; V50-W62 WeakPolarHBondContact O-CZ3 3.24Å; K51-W62 WeakPolarHBondContact CA-O 3.42Å; A52-W62 HydrophobicContact CB-CD2 3.6Å; A52-W62 HydrophobicContact CB-CE3 4.31Å; A52-W62 HydrophobicContact CB-CG 3.89Å; A52-W62 HydrophobicContact CB-CH2 4.27Å; A52-W62 HydrophobicContact CB-CZ2 3.59Å; A52-W62 PolarHBondContact N-O 2.83Å; A52-W62 PolarHBondContact O-N 2.99Å; W62-V64 HydrophobicContact CE3-CG1 4.35Å; W62-V64 HydrophobicContact CE3-CG2 4.26Å; W62-V64 HydrophobicContact CZ3-CG2 3.83Å; W62-T105 PolarHBondContact NE1-O 3.21Å
63S98.4Very high88.8Confident47 Ų4776.3 Ų76.333%0.32938%0.375SS..EExtended strand (participates in β ladder)trans-147.2132.6177.5174.60000110.1L49 V50 E60L49-S63 WeakPolarHBondContact CD1-OG 3.27Å; V50-S63 WeakPolarHBondContact O-CA 3.5Å; E60-S63 VanDerWaalsContact CD-CB 3.48Å; E60-S63 WeakPolarHBondContact OE1-CB 3.44Å
64V97.9Very high87.5Confident35 Ų3580 Ų8021%0.21240%0.401CS..EExtended strand (participates in β ladder)trans-136.1159.1177.7-61.70000110.5L49 V50 W62 L103 G108L49-V64 WeakPolarHBondContact CA-O 3.19Å; V50-V64 HydrophobicContact CB-CG2 4.03Å; V50-V64 PolarHBondContact N-O 3.29Å; V50-V64 PolarHBondContact O-N 2.99Å; W62-V64 HydrophobicContact CE3-CG1 4.35Å; W62-V64 HydrophobicContact CE3-CG2 4.26Å; W62-V64 HydrophobicContact CZ3-CG2 3.83Å; V64-L103 HydrophobicContact CG2-CD1 4.09Å; V64-G108 WeakPolarHBondContact CG2-O 3.35Å
65S96.7Very high86.4Confident67 Ų6784 Ų8447%0.46942%0.416SS..EExtended strand (participates in β ladder)trans-122.1124.1175.8-176.70000110.2G48 A67G48-S65 CarbonylContact O-C 3.5Å; G48-S65 WeakPolarHBondContact O-CA 3.48Å; S65-A67 VanDerWaalsContact C-N 3.31Å; S65-A67 PolarHBondContact OG-N 2.85Å
66L96.1Very high85.9Confident14 Ų1488 Ų887%0.07343%0.434CS..  trans-87.41.9174.9-55.3-176.3000112.9G48 V50 E68 A78 L80 Y101 L103 V110G48-L66 PolarHBondContact O-N 3.16Å; V50-L66 HydrophobicContact CG2-CD1 3.8Å; V50-L66 HydrophobicContact CG2-CG 4Å; L66-E68 PolarHBondContact O-N 2.81Å; L66-A78 HydrophobicContact CB-CB 3.88Å; L66-L80 HydrophobicContact CD1-CD1 4.13Å; L66-L80 HydrophobicContact CD1-CD2 4Å; L66-Y101 HydrophobicContact CB-CE1 4.36Å; L66-Y101 HydrophobicContact CD1-CD1 4.05Å; L66-Y101 HydrophobicContact CD1-CD2 3.97Å; L66-Y101 HydrophobicContact CD1-CE1 4.47Å; L66-Y101 HydrophobicContact CD1-CE2 4.41Å; L66-Y101 HydrophobicContact CD1-CG 3.78Å; L66-Y101 HydrophobicContact CD2-CD1 4.15Å; L66-L103 HydrophobicContact CD1-CD1 4.35Å; L66-L103 HydrophobicContact CD2-CD1 4.3Å; L66-L103 HydrophobicContact CD2-CD2 3.73Å; L66-V110 HydrophobicContact CD2-CG2 4.14Å
67A92.8Very high85.8Confident15 Ų1585.7 Ų85.712%0.12443%0.425CS..SBendtrans-63.3128.2173.900000109.9S65 K69 K75 E76S65-A67 VanDerWaalsContact C-N 3.31Å; S65-A67 PolarHBondContact OG-N 2.85Å; A67-K69 PolarHBondContact O-N 2.88Å; A67-K75 HydrophobicContact CB-CB 4.42Å; A67-E76 CarbonylContact C-O 3.5Å; A67-E76 VanDerWaalsContact CA-O 3.3Å; A67-E76 WeakPolarHBondContact CA-O 3.4Å; A67-E76 WeakPolarHBondContact CB-O 3.33Å
68E83.1Confident85.6Confident86 Ų8682.8 Ų82.840%0.40241%0.41SS..BIsolated β-bridgetrans-67.9133.1-178-67.6-176.5173.400110L66 D70 K75 E76L66-E68 PolarHBondContact O-N 2.81Å; E68-D70 VanDerWaalsContact C-N 3.28Å; E68-D70 PolarHBondContact O-N 2.94Å; E68-K75 WeakPolarHBondContact O-CA 3.07Å; E68-E76 HydrophobicContact CB-CB 4.13Å; E68-E76 PolarHBondContact N-O 2.91Å; E68-E76 PolarHBondContact O-N 3.21Å
69K76.9Confident85.5Confident173 Ų17384.6 Ų84.675%0.75242%0.419SS*.SBendtrans-75.8-16.2-174.2-67.7179.2-177.8171.70113.4A67A67-K69 PolarHBondContact O-N 2.88Å
70D66Low85.4Confident148 Ų14878.1 Ų78.179%0.79139%0.391SS*.  trans-110.534.7-161.2-64.1-11000114.3E68E68-D70 VanDerWaalsContact C-N 3.28Å; E68-D70 PolarHBondContact O-N 2.94Å
71G58.8Low85Confident20 Ų2073.5 Ų73.521%0.20637%0.37CS..  trans-73.7141.4166.800000111.5F73 S74G71-F73 PolarHBondContact O-N 3.25Å; G71-S74 VanDerWaalsContact CA-O 3.31Å; G71-S74 WeakPolarHBondContact CA-O 3.45Å
72W58.7Low84.5Confident238 Ų23869.2 Ų69.290%0.90235%0.348SS*.SBendtrans-61.8-12.9-176.6-71.117.7000114.1
73F59Low83.9Confident198 Ų19868.2 Ų68.287%0.86834%0.344SS*.SBendtrans-137.7-19.2-175.9-60.4-74.7000115.2G71G71-F73 PolarHBondContact O-N 3.25Å
74S70.3Confident83.8Confident77 Ų7766 Ų6654%0.53833%0.329SS..SBendtrans-169169.4179.454.30000110.2G71 E76G71-S74 VanDerWaalsContact CA-O 3.31Å; G71-S74 WeakPolarHBondContact CA-O 3.45Å; S74-E76 PolarHBondContact O-N 2.84Å
75K76.7Confident83.7Confident135 Ų13565.1 Ų65.159%0.58732%0.323SS*.PPolyproline II helixtrans-54.2131166.1-69.4-176.1178.7-178.40109.4A67 E68A67-K75 HydrophobicContact CB-CB 4.42Å; E68-K75 WeakPolarHBondContact O-CA 3.07Å
76E87Confident83.8Confident82 Ų8263.8 Ų63.838%0.38331%0.312SS..BIsolated β-bridgetrans-86.2119.8178-87.5-68.4149.500108.5A67 E68 S74 K97A67-E76 CarbonylContact C-O 3.5Å; A67-E76 VanDerWaalsContact CA-O 3.3Å; A67-E76 WeakPolarHBondContact CA-O 3.4Å; A67-E76 WeakPolarHBondContact CB-O 3.33Å; E68-E76 HydrophobicContact CB-CB 4.13Å; E68-E76 PolarHBondContact N-O 2.91Å; E68-E76 PolarHBondContact O-N 3.21Å; S74-E76 PolarHBondContact O-N 2.84Å; E76-K97 IonicContact OE2-NZ 2.87Å; E76-K97 PolarHBondContact OE2-NZ 2.83Å
77P92.9Very high83.8Confident52 Ų5265 Ų6534%0.33832%0.321SS..PPolyproline II helixtrans-56.6146.1-179.7-24.634000111.9A47 L79 K97A47-P77 WeakPolarHBondContact O-CA 3.03Å; P77-L79 VanDerWaalsContact C-N 3.27Å; P77-L79 HydrophobicContact CB-CD2 3.81Å; P77-L79 HydrophobicContact CB-CG 4.32Å; P77-L79 PolarHBondContact O-N 3.38Å; P77-K97 VanDerWaalsContact O-CE 3.27Å; P77-K97 WeakPolarHBondContact O-CE 3.42Å; P77-K97 PolarHBondContact O-NZ 2.79Å
78A94.5Very high83.8Confident1 Ų167.5 Ų67.51%0.00835%0.349CS..  trans-69.3-27.7178.100000112.5A47 L66 L80 S95A47-A78 PolarHBondContact O-N 3.17Å; L66-A78 HydrophobicContact CB-CB 3.88Å; A78-L80 HydrophobicContact CB-CD2 3.73Å; A78-L80 HydrophobicContact CB-CG 3.93Å; A78-S95 WeakPolarHBondContact O-CB 3.4Å
79L95.3Very high84.4Confident40 Ų4065.2 Ų65.221%0.20935%0.348CS..  trans55.252.3-175.3-51.3-178.3000111.4R46 P77 S95 E96 K97R46-L79 CarbonylContact O-C 3.49Å; R46-L79 WeakPolarHBondContact O-CA 3.4Å; R46-L79 PolarHBondContact O-N 3.49Å; P77-L79 VanDerWaalsContact C-N 3.27Å; P77-L79 HydrophobicContact CB-CD2 3.81Å; P77-L79 HydrophobicContact CB-CG 4.32Å; P77-L79 PolarHBondContact O-N 3.38Å; L79-S95 CarbonylContact O-C 3.53Å; L79-S95 VanDerWaalsContact O-CA 3.32Å; L79-S95 WeakPolarHBondContact O-CA 3.4Å; L79-S95 WeakPolarHBondContact O-CB 3.31Å; L79-E96 HydrophobicContact CB-CB 3.87Å; L79-E96 HydrophobicContact CB-CG 4.32Å; L79-E96 PolarHBondContact O-N 2.89Å; L79-K97 HydrophobicContact CD1-CG 4.19Å
80L96.7Very high85.4Confident0 Ų058.5 Ų58.50%032%0.32CS..EExtended strand (participates in β ladder)trans-63.9137.9177.7-55.2-178.1000109.8L32 A44 D45 R46 V50 L66 A78 I93 Y101L32-L80 HydrophobicContact CD1-CB 4.21Å; L32-L80 HydrophobicContact CD2-CB 4.02Å; A44-L80 HydrophobicContact CB-CD1 3.9Å; D45-L80 WeakPolarHBondContact O-CD1 3.46Å; R46-L80 PolarHBondContact O-N 3.48Å; V50-L80 HydrophobicContact CG2-CD1 4.01Å; L66-L80 HydrophobicContact CD1-CD1 4.13Å; L66-L80 HydrophobicContact CD1-CD2 4Å; A78-L80 HydrophobicContact CB-CD2 3.73Å; A78-L80 HydrophobicContact CB-CG 3.93Å; L80-I93 HydrophobicContact CB-CG2 3.98Å; L80-I93 HydrophobicContact CD1-CD1 4.3Å; L80-I93 HydrophobicContact CD1-CG2 4.14Å; L80-I93 HydrophobicContact CD2-CG2 3.91Å; L80-I93 HydrophobicContact CG-CG2 4.21Å; L80-Y101 HydrophobicContact CD2-CD2 4.25Å; L80-Y101 HydrophobicContact CD2-CE2 4.11Å
81S90.7Very high87Confident4 Ų451.4 Ų51.43%0.02828%0.282CS..EExtended strand (participates in β ladder)trans-140.1-52.1-177.5-177.60000113.4N31 L32 G94 L121N31-S81 CarbonylContact C-O 3.54Å; N31-S81 PolarHBondContact N-O 2.79Å; L32-S81 WeakPolarHBondContact CA-O 3.05Å; L32-S81 PolarHBondContact N-O 3.32Å; S81-G94 PolarHBondContact N-O 3.31Å; S81-L121 WeakPolarHBondContact OG-CD2 3.37Å
82G86.7Confident88.9Confident0 Ų050.5 Ų50.50%027%0.272CS..EExtended strand (participates in β ladder)trans-90.7120.7-179.500000110.8I93 G94 A120 L121 S122G82-I93 CarbonylContact O-C 3.49Å; G82-I93 WeakPolarHBondContact O-CA 3.21Å; G82-I93 WeakPolarHBondContact O-CG2 3.2Å; G82-G94 PolarHBondContact N-O 2.58Å; G82-G94 VanDerWaalsContact N-O 3.09Å; G82-G94 PolarHBondContact O-N 3.31Å; G82-A120 PolarHBondContact N-O 2.92Å; G82-L121 WeakPolarHBondContact CA-O 3.41Å; G82-S122 WeakPolarHBondContact CA-O 3.41Å
83G85.9Confident90.8Very high0 Ų039.1 Ų39.10%023%0.229CC..EExtended strand (participates in β ladder)trans145-178.8179.400000112.3L32 H33L32-G83 CarbonylContact C-O 3.58Å; L32-G83 VanDerWaalsContact CA-O 3.31Å; L32-G83 WeakPolarHBondContact CA-O 3.44Å; H33-G83 PolarHBondContact CD2-O 2.78Å; H33-G83 PolarHBondContact N-O 3.32Å; H33-G83 CarbonylContact O-C 3.45Å
84V96.5Very high92.6Very high2 Ų229.7 Ų29.71%0.01219%0.188CC..EExtended strand (participates in β ladder)cis-95.1139.66.8179.20000110.7L32 H33 A35 A44 V86 V91 I93 R123L32-V84 HydrophobicContact CD1-CG2 4.29Å; H33-V84 WeakPolarHBondContact O-CG2 3.47Å; H33-V84 PolarHBondContact O-N 3.31Å; A35-V84 HydrophobicContact CB-CB 4.02Å; A35-V84 HydrophobicContact CB-CG1 3.97Å; A35-V84 WeakPolarHBondContact CB-O 3.26Å; A44-V84 HydrophobicContact CB-CG2 4.29Å; V84-V86 HydrophobicContact CG1-CG2 4.33Å; V84-V91 HydrophobicContact CG1-CG1 3.36Å; V84-I93 HydrophobicContact CG1-CG1 4.42Å; V84-I93 HydrophobicContact CG2-CD1 4.12Å; V84-I93 HydrophobicContact CG2-CG1 4.31Å; V84-R123 WeakPolarHBondContact O-CD 3.21Å
85T97.4Very high93.8Very high15 Ų1526 Ų269%0.09216%0.162CC..EExtended strand (participates in β ladder)trans-117.2140.3171.8-65.10000110.6V91 Y92 R123 P124 V126T85-V91 CarbonylContact O-C 3.58Å; T85-V91 WeakPolarHBondContact O-CA 3.46Å; T85-Y92 HydrophobicContact CG2-CD2 4.38Å; T85-Y92 PolarHBondContact N-O 2.79Å; T85-Y92 VanDerWaalsContact N-O 3.08Å; T85-Y92 PolarHBondContact O-N 2.79Å; T85-R123 VanDerWaalsContact OG1-CD 3.23Å; T85-R123 WeakPolarHBondContact OG1-CD 3.21Å; T85-R123 WeakPolarHBondContact OG1-CG 3.42Å; T85-P124 WeakPolarHBondContact CB-O 3.24Å; T85-P124 WeakPolarHBondContact CG2-O 3.37Å; T85-P124 PolarHBondContact OG1-O 2.87Å; T85-V126 HydrophobicContact CG2-CB 4.49Å; T85-V126 HydrophobicContact CG2-CG2 3.79Å
86V97.8Very high94.6Very high39 Ų3921 Ų2124%0.23614%0.141CC..EExtended strand (participates in β ladder)trans-126.7127.8179.6-174.80000109.4A35 A37 Y42 V84 H90 V91 T105A35-V86 HydrophobicContact CB-CG2 3.78Å; A37-V86 HydrophobicContact CB-CB 4.38Å; A37-V86 HydrophobicContact CB-CG1 4.05Å; Y42-V86 HydrophobicContact CD2-CG1 4.42Å; Y42-V86 HydrophobicContact CD2-CG2 3.47Å; Y42-V86 VanDerWaalsContact CD2-CG2 3.47Å; Y42-V86 HydrophobicContact CE2-CG1 4.02Å; Y42-V86 HydrophobicContact CE2-CG2 3.94Å; Y42-V86 HydrophobicContact CG-CG2 3.91Å; V84-V86 HydrophobicContact CG1-CG2 4.33Å; V86-H90 WeakPolarHBondContact CA-O 2.95Å; V86-V91 HydrophobicContact CG2-CG1 4.49Å; V86-V91 HydrophobicContact CG2-CG2 4.39Å; V86-T105 HydrophobicContact CG1-CG2 3.95Å
87S97.2Very high95Very high39 Ų3919.7 Ų19.727%0.27313%0.134SC..EExtended strand (participates in β ladder)trans-160145.7175.8171.90000110.3G89 H90 V126 E145S87-G89 PolarHBondContact O-N 2.84Å; S87-G89 VanDerWaalsContact O-N 3.08Å; S87-H90 PolarHBondContact N-O 2.91Å; S87-H90 PolarHBondContact O-N 2.88Å; S87-V126 WeakPolarHBondContact OG-CG1 3.28Å; S87-E145 PolarHBondContact OG-OE1 2.74Å; S87-E145 VanDerWaalsContact OG-OE1 3.13Å
88G91.8Very high95.2Very high69 Ų6917.9 Ų17.971%0.71112%0.123SC*.THydrogen-bonded Turntrans62.122.4166.100000116
89G96.2Very high95.3Very high37 Ų3719.1 Ų19.138%0.38113%0.129SC..THydrogen-bonded Turntrans859.6-174.300000114.4S87 T105S87-G89 PolarHBondContact O-N 2.84Å; S87-G89 VanDerWaalsContact O-N 3.08Å; G89-T105 VanDerWaalsContact C-CG2 3.47Å; G89-T105 WeakPolarHBondContact O-CG2 3.47Å; G89-T105 PolarHBondContact O-N 2.81Å; G89-T105 PolarHBondContact O-OG1 3.2Å
90H98.4Very high95.4Very high32 Ų3217.2 Ų17.215%0.14812%0.119CC..EExtended strand (participates in β ladder)trans-122.4151.8176.5-59.2144.4000112.9V86 S87 Y92 A102 L103V86-H90 WeakPolarHBondContact CA-O 2.95Å; S87-H90 PolarHBondContact N-O 2.91Å; S87-H90 PolarHBondContact O-N 2.88Å; H90-Y92 HydrophobicContact CB-CD2 4.44Å; H90-Y92 HydrophobicContact CB-CE1 3.89Å; H90-Y92 HydrophobicContact CB-CE2 3.68Å; H90-Y92 VanDerWaalsContact CB-OH 3.26Å; H90-Y92 WeakPolarHBondContact CB-OH 3.32Å; H90-Y92 AromaticContact ND1-CZ 3.82Å; H90-Y92 PolarHBondContact ND1-OH 2.81Å; H90-A102 HydrophobicContact CB-CB 4.36Å; H90-L103 CarbonylContact C-O 3.52Å; H90-L103 WeakPolarHBondContact CA-O 3.49Å
91V98.5Very high95.5Very high0 Ų017.3 Ų17.30%012%0.119CC..EExtended strand (participates in β ladder)trans-108.4119.4170.2-174.40000108.2Y42 V84 T85 V86 I93 A102 L103 T105Y42-V91 HydrophobicContact CD1-CG2 3.4Å; Y42-V91 VanDerWaalsContact CD1-CG2 3.4Å; Y42-V91 HydrophobicContact CE1-CG2 3.62Å; Y42-V91 HydrophobicContact CG-CG2 4Å; V84-V91 HydrophobicContact CG1-CG1 3.36Å; T85-V91 CarbonylContact O-C 3.58Å; T85-V91 WeakPolarHBondContact O-CA 3.46Å; V86-V91 HydrophobicContact CG2-CG1 4.49Å; V86-V91 HydrophobicContact CG2-CG2 4.39Å; V91-I93 HydrophobicContact CG1-CD1 4.37Å; V91-I93 HydrophobicContact CG1-CG1 4.3Å; V91-A102 CarbonylContact O-C 3.5Å; V91-A102 VanDerWaalsContact O-CA 3.31Å; V91-A102 WeakPolarHBondContact O-CA 3.43Å; V91-L103 HydrophobicContact CB-CB 4.23Å; V91-L103 PolarHBondContact N-O 2.82Å; V91-L103 PolarHBondContact O-N 3.42Å; V91-T105 HydrophobicContact CG2-CG2 3.76Å
92Y98.6Very high95.9Very high0 Ų017.1 Ų17.10%012%0.118CC..EExtended strand (participates in β ladder)trans-105.1129-177.5-53.3-83.7000111.6T85 H90 Y101 A102 W112 V126 V131 E145T85-Y92 HydrophobicContact CG2-CD2 4.38Å; T85-Y92 PolarHBondContact N-O 2.79Å; T85-Y92 VanDerWaalsContact N-O 3.08Å; T85-Y92 PolarHBondContact O-N 2.79Å; H90-Y92 HydrophobicContact CB-CD2 4.44Å; H90-Y92 HydrophobicContact CB-CE1 3.89Å; H90-Y92 HydrophobicContact CB-CE2 3.68Å; H90-Y92 VanDerWaalsContact CB-OH 3.26Å; H90-Y92 WeakPolarHBondContact CB-OH 3.32Å; H90-Y92 AromaticContact ND1-CZ 3.82Å; H90-Y92 PolarHBondContact ND1-OH 2.81Å; Y92-Y101 VanDerWaalsContact CA-O 3.26Å; Y92-Y101 WeakPolarHBondContact CA-O 3.32Å; Y92-A102 HydrophobicContact CD1-CB 3.77Å; Y92-A102 HydrophobicContact CE1-CB 3.63Å; Y92-W112 HydrophobicContact CD1-CH2 4.08Å; Y92-W112 AromaticContact CD1-CZ2 3.82Å; Y92-W112 HydrophobicContact CD1-CZ2 3.82Å; Y92-W112 HydrophobicContact CE1-CH2 4.28Å; Y92-W112 AromaticContact CE1-CZ2 3.55Å; Y92-W112 HydrophobicContact CE1-CZ2 3.55Å; Y92-V126 HydrophobicContact CD2-CG2 3.48Å; Y92-V126 VanDerWaalsContact CD2-CG2 3.48Å; Y92-V126 HydrophobicContact CE2-CB 4.49Å; Y92-V126 HydrophobicContact CE2-CG1 4.32Å; Y92-V126 HydrophobicContact CE2-CG2 3.58Å; Y92-V126 HydrophobicContact CG-CG2 4.06Å; Y92-V131 HydrophobicContact CD1-CG1 4.37Å; Y92-V131 HydrophobicContact CD1-CG2 3.96Å; Y92-V131 HydrophobicContact CE1-CG2 3.77Å; Y92-E145 HydrophobicContact CE1-CG 4.39Å; Y92-E145 WeakPolarHBondContact OH-CG 3.38Å; Y92-E145 PolarHBondContact OH-OE1 2.78Å
93I98.1Very high96.5Very high0 Ų017.1 Ų17.10%012%0.118CC..EExtended strand (participates in β ladder)trans-140.6128.6178.9-48.7177.6000109.8L32 A44 V50 L80 G82 V84 V91 V100 Y101L32-I93 HydrophobicContact CD1-CG2 4.05Å; A44-I93 HydrophobicContact CB-CD1 4.02Å; V50-I93 HydrophobicContact CG1-CD1 4.07Å; V50-I93 HydrophobicContact CG2-CD1 3.88Å; L80-I93 HydrophobicContact CB-CG2 3.98Å; L80-I93 HydrophobicContact CD1-CD1 4.3Å; L80-I93 HydrophobicContact CD1-CG2 4.14Å; L80-I93 HydrophobicContact CD2-CG2 3.91Å; L80-I93 HydrophobicContact CG-CG2 4.21Å; G82-I93 CarbonylContact O-C 3.49Å; G82-I93 WeakPolarHBondContact O-CA 3.21Å; G82-I93 WeakPolarHBondContact O-CG2 3.2Å; V84-I93 HydrophobicContact CG1-CG1 4.42Å; V84-I93 HydrophobicContact CG2-CD1 4.12Å; V84-I93 HydrophobicContact CG2-CG1 4.31Å; V91-I93 HydrophobicContact CG1-CD1 4.37Å; V91-I93 HydrophobicContact CG1-CG1 4.3Å; I93-V100 WeakPolarHBondContact O-CA 3.38Å; I93-Y101 PolarHBondContact N-O 3.46Å; I93-Y101 PolarHBondContact O-N 3.43Å
94G97.1Very high97.1Very high0 Ų019.4 Ų19.40%013%0.13CC..EExtended strand (participates in β ladder)trans-91.8151170.500000112.5S81 G82 Q99 A120S81-G94 PolarHBondContact N-O 3.31Å; G82-G94 PolarHBondContact N-O 2.58Å; G82-G94 VanDerWaalsContact N-O 3.09Å; G82-G94 PolarHBondContact O-N 3.31Å; G94-Q99 CarbonylContact C-O 3.54Å; G94-Q99 WeakPolarHBondContact CA-O 3.43Å; G94-A120 CarbonylContact C-O 3.58Å
95S96Very high97.1Very high0 Ų021 Ų210%014%0.139CC..EExtended strand (participates in β ladder)trans-126.6159.8-17964.10000113.3A78 L79 K97 A98 Q99 A120A78-S95 WeakPolarHBondContact O-CB 3.4Å; L79-S95 CarbonylContact O-C 3.53Å; L79-S95 VanDerWaalsContact O-CA 3.32Å; L79-S95 WeakPolarHBondContact O-CA 3.4Å; L79-S95 WeakPolarHBondContact O-CB 3.31Å; S95-K97 PolarHBondContact O-N 3.12Å; S95-K97 PolarHBondContact OG-N 3.34Å; S95-A98 PolarHBondContact O-N 2.96Å; S95-Q99 PolarHBondContact N-O 3.4Å; S95-Q99 WeakPolarHBondContact OG-CA 3.44Å; S95-Q99 VanDerWaalsContact OG-CB 3.3Å; S95-Q99 WeakPolarHBondContact OG-CB 3.45Å; S95-Q99 PolarHBondContact OG-N 3.04Å; S95-Q99 PolarHBondContact OG-O 3.12Å; S95-A120 PolarHBondContact O-N 3.2Å
96E94.3Very high97.2Very high28 Ų2824.6 Ų24.613%0.13117%0.165CC..THydrogen-bonded Turntrans-64.7-15168.5-59.8177.6-144.600112.1R46 L79 A98 E119 L121 R164R46-E96 IonicContact CZ-OE1 2.78Å; R46-E96 IonicContact CZ-OE2 3.42Å; R46-E96 IonicContact NE-OE1 3.64Å; R46-E96 PolarHBondContact NE-OE1 2.79Å; R46-E96 IonicContact NH2-OE1 2.82Å; R46-E96 PolarHBondContact NH2-OE1 3.45Å; R46-E96 IonicContact NH2-OE2 3.42Å; R46-E96 PolarHBondContact NH2-OE2 2.84Å; L79-E96 HydrophobicContact CB-CB 3.87Å; L79-E96 HydrophobicContact CB-CG 4.32Å; L79-E96 PolarHBondContact O-N 2.89Å; E96-A98 PolarHBondContact O-N 2.65Å; E96-E119 WeakPolarHBondContact O-CG 3.35Å; E96-L121 HydrophobicContact CG-CD2 3.86Å; E96-R164 IonicContact OE2-NH1 3.06Å
97K94.8Very high97.2Very high56 Ų5626.2 Ų26.224%0.24317%0.173CC..THydrogen-bonded Turntrans-8714.9175.2-71-174.4167.5179.60113.5E76 P77 L79 S95 Q99E76-K97 IonicContact OE2-NZ 2.87Å; E76-K97 PolarHBondContact OE2-NZ 2.83Å; P77-K97 VanDerWaalsContact O-CE 3.27Å; P77-K97 WeakPolarHBondContact O-CE 3.42Å; P77-K97 PolarHBondContact O-NZ 2.79Å; L79-K97 HydrophobicContact CD1-CG 4.19Å; S95-K97 PolarHBondContact O-N 3.12Å; S95-K97 PolarHBondContact OG-N 3.34Å; K97-Q99 HydrophobicContact CB-CG 4.39Å; K97-Q99 PolarHBondContact O-N 3.22Å
98A96.3Very high97.2Very high13 Ų1324.4 Ų24.411%0.10716%0.16CC..SBendtrans55.935.7-17600000112.6S95 E96 K115 V116 G118S95-A98 PolarHBondContact O-N 2.96Å; E96-A98 PolarHBondContact O-N 2.65Å; A98-K115 CarbonylContact O-C 3.59Å; A98-K115 VanDerWaalsContact O-CA 3.29Å; A98-K115 WeakPolarHBondContact O-CA 3.4Å; A98-V116 VanDerWaalsContact C-CG2 3.46Å; A98-V116 HydrophobicContact CB-CG2 4.18Å; A98-V116 VanDerWaalsContact O-CG2 3.24Å; A98-V116 WeakPolarHBondContact O-CG2 3.07Å; A98-V116 PolarHBondContact O-N 3.32Å; A98-G118 VanDerWaalsContact CA-O 3.31Å; A98-G118 WeakPolarHBondContact CA-O 3.39Å; A98-G118 WeakPolarHBondContact CB-O 3.3Å
99Q97.4Very high97.5Very high27 Ų2724.2 Ų24.213%0.12615%0.145CC..EExtended strand (participates in β ladder)trans-109.8140172-57.3-65.9-37.900109.7G94 S95 K97 Y101 T114G94-Q99 CarbonylContact C-O 3.54Å; G94-Q99 WeakPolarHBondContact CA-O 3.43Å; S95-Q99 PolarHBondContact N-O 3.4Å; S95-Q99 WeakPolarHBondContact OG-CA 3.44Å; S95-Q99 VanDerWaalsContact OG-CB 3.3Å; S95-Q99 WeakPolarHBondContact OG-CB 3.45Å; S95-Q99 PolarHBondContact OG-N 3.04Å; S95-Q99 PolarHBondContact OG-O 3.12Å; K97-Q99 HydrophobicContact CB-CG 4.39Å; K97-Q99 PolarHBondContact O-N 3.22Å; Q99-Y101 HydrophobicContact CB-CD2 4.29Å; Q99-Y101 HydrophobicContact CB-CE2 3.55Å; Q99-T114 WeakPolarHBondContact CA-O 3.3Å
100V98.1Very high97.6Very high0 Ų026 Ų260%015%0.149CC..EExtended strand (participates in β ladder)trans-114.4126.9165-179.20000107.6I93 W112 Q113 T114 V116 A120 I133 L143I93-V100 WeakPolarHBondContact O-CA 3.38Å; V100-W112 HydrophobicContact CB-CZ3 4.15Å; V100-W112 HydrophobicContact CG1-CH2 3.78Å; V100-W112 HydrophobicContact CG1-CZ3 3.79Å; V100-W112 WeakPolarHBondContact O-CZ3 3.42Å; V100-Q113 WeakPolarHBondContact O-CA 3.43Å; V100-T114 PolarHBondContact N-O 3.44Å; V100-T114 PolarHBondContact O-N 2.9Å; V100-V116 HydrophobicContact CB-CG1 4.49Å; V100-V116 HydrophobicContact CG2-CB 4.48Å; V100-V116 HydrophobicContact CG2-CG1 3.62Å; V100-V116 HydrophobicContact CG2-CG2 4Å; V100-A120 HydrophobicContact CG2-CB 4.26Å; V100-I133 HydrophobicContact CG1-CD1 4.06Å; V100-I133 HydrophobicContact CG2-CD1 3.76Å; V100-I133 HydrophobicContact CG2-CG1 4Å; V100-I133 HydrophobicContact CG2-CG2 4.41Å; V100-L143 HydrophobicContact CB-CD1 4.07Å; V100-L143 HydrophobicContact CG1-CD1 4.19Å; V100-L143 HydrophobicContact CG2-CD1 4.22Å
101Y98.3Very high97.6Very high3 Ų326.5 Ų26.51%0.01216%0.158CC..EExtended strand (participates in β ladder)trans-106.1140.9178.8-59.1-93.4000109.3L66 L80 Y92 I93 Q99 Q113L66-Y101 HydrophobicContact CB-CE1 4.36Å; L66-Y101 HydrophobicContact CD1-CD1 4.05Å; L66-Y101 HydrophobicContact CD1-CD2 3.97Å; L66-Y101 HydrophobicContact CD1-CE1 4.47Å; L66-Y101 HydrophobicContact CD1-CE2 4.41Å; L66-Y101 HydrophobicContact CD1-CG 3.78Å; L66-Y101 HydrophobicContact CD2-CD1 4.15Å; L80-Y101 HydrophobicContact CD2-CD2 4.25Å; L80-Y101 HydrophobicContact CD2-CE2 4.11Å; Y92-Y101 VanDerWaalsContact CA-O 3.26Å; Y92-Y101 WeakPolarHBondContact CA-O 3.32Å; I93-Y101 PolarHBondContact N-O 3.46Å; I93-Y101 PolarHBondContact O-N 3.43Å; Q99-Y101 HydrophobicContact CB-CD2 4.29Å; Q99-Y101 HydrophobicContact CB-CE2 3.55Å; Y101-Q113 HydrophobicContact CD1-CB 4.18Å; Y101-Q113 HydrophobicContact CD1-CG 3.8Å; Y101-Q113 HydrophobicContact CE1-CB 4.47Å; Y101-Q113 HydrophobicContact CE1-CG 3.7Å
102A98.5Very high97.6Very high0 Ų027.3 Ų27.30%016%0.161CC..EExtended strand (participates in β ladder)trans-116.3124.1160.300000109.1H90 V91 Y92 A111 W112H90-A102 HydrophobicContact CB-CB 4.36Å; V91-A102 CarbonylContact O-C 3.5Å; V91-A102 VanDerWaalsContact O-CA 3.31Å; V91-A102 WeakPolarHBondContact O-CA 3.43Å; Y92-A102 HydrophobicContact CD1-CB 3.77Å; Y92-A102 HydrophobicContact CE1-CB 3.63Å; A102-A111 HydrophobicContact CB-CB 4.41Å; A102-A111 PolarHBondContact O-N 2.89Å; A102-W112 HydrophobicContact CB-CD2 3.51Å; A102-W112 HydrophobicContact CB-CE3 4.09Å; A102-W112 HydrophobicContact CB-CG 3.91Å; A102-W112 HydrophobicContact CB-CH2 4.14Å; A102-W112 HydrophobicContact CB-CZ2 3.6Å; A102-W112 HydrophobicContact CB-CZ3 4.36Å; A102-W112 PolarHBondContact N-O 2.99Å; A102-W112 PolarHBondContact O-N 3.45Å
103L98.6Very high97.5Very high0 Ų031.5 Ų31.50%018%0.181CC..EExtended strand (participates in β ladder)trans-112140.6178.6-45.3179.8000110.2V50 V64 L66 H90 V91 T105 T109 V110V50-L103 HydrophobicContact CB-CD1 4.1Å; V50-L103 HydrophobicContact CG1-CD1 3.94Å; V50-L103 HydrophobicContact CG2-CD1 4.07Å; V64-L103 HydrophobicContact CG2-CD1 4.09Å; L66-L103 HydrophobicContact CD1-CD1 4.35Å; L66-L103 HydrophobicContact CD2-CD1 4.3Å; L66-L103 HydrophobicContact CD2-CD2 3.73Å; H90-L103 CarbonylContact C-O 3.52Å; H90-L103 WeakPolarHBondContact CA-O 3.49Å; V91-L103 HydrophobicContact CB-CB 4.23Å; V91-L103 PolarHBondContact N-O 2.82Å; V91-L103 PolarHBondContact O-N 3.42Å; L103-T105 PolarHBondContact O-N 3.36Å; L103-T109 CarbonylContact C-O 3.56Å; L103-T109 VanDerWaalsContact CA-O 3.27Å; L103-T109 WeakPolarHBondContact CA-O 3.39Å; L103-V110 HydrophobicContact CD2-CB 4.29Å; L103-V110 HydrophobicContact CD2-CG2 3.74Å
104N98.5Very high97.5Very high48 Ų4832.6 Ų32.626%0.25719%0.188SC..EExtended strand (participates in β ladder)trans-63.5128172.1-70.8-51.9000110.3S106 D107 G108 T109N104-S106 PolarHBondContact O-N 2.86Å; N104-D107 WeakPolarHBondContact CB-OD1 3.23Å; N104-D107 PolarHBondContact O-N 3.31Å; N104-G108 WeakPolarHBondContact O-CA 3.41Å; N104-G108 PolarHBondContact O-N 2.64Å; N104-T109 PolarHBondContact N-O 2.97Å; N104-T109 PolarHBondContact ND2-OG1 3.48Å
105T98.2Very high97.6Very high34 Ų3440 Ų4021%0.20922%0.22CC..THydrogen-bonded Turntrans-62.6-23.8-179.650.90000113.2Y42 W62 V86 G89 V91 L103Y42-T105 HydrophobicContact CE1-CG2 4.03Å; Y42-T105 WeakPolarHBondContact OH-CB 3.48Å; W62-T105 PolarHBondContact NE1-O 3.21Å; V86-T105 HydrophobicContact CG1-CG2 3.95Å; G89-T105 VanDerWaalsContact C-CG2 3.47Å; G89-T105 WeakPolarHBondContact O-CG2 3.47Å; G89-T105 PolarHBondContact O-N 2.81Å; G89-T105 PolarHBondContact O-OG1 3.2Å; V91-T105 HydrophobicContact CG2-CG2 3.76Å; L103-T105 PolarHBondContact O-N 3.36Å
106S97.8Very high97.7Very high91 Ų9140.4 Ų40.464%0.63622%0.222SC*.THydrogen-bonded Turntrans-74.4-34.9-177.553.90000114.6N104N104-S106 PolarHBondContact O-N 2.86Å
107D98Very high97.7Very high73 Ų7341.4 Ų41.439%0.3924%0.235SC..THydrogen-bonded Turntrans-145.7-1.2-170.266.16.4000115N104 T109N104-D107 WeakPolarHBondContact CB-OD1 3.23Å; N104-D107 PolarHBondContact O-N 3.31Å; D107-T109 PolarHBondContact O-N 3.3Å; D107-T109 VanDerWaalsContact OD1-CB 3.31Å; D107-T109 WeakPolarHBondContact OD1-CB 3.43Å; D107-T109 WeakPolarHBondContact OD1-CG2 3.23Å; D107-T109 PolarHBondContact OD1-N 3.41Å; D107-T109 PolarHBondContact OD1-OG1 3.47Å; D107-T109 WeakPolarHBondContact OD2-CG2 3.21Å; D107-T109 PolarHBondContact OD2-OG1 3.37Å
108G98Very high97.7Very high1 Ų139.2 Ų39.21%0.0123%0.229CC..  trans73.66.4-17900000114.5V64 N104V64-G108 WeakPolarHBondContact CG2-O 3.35Å; N104-G108 WeakPolarHBondContact O-CA 3.41Å; N104-G108 PolarHBondContact O-N 2.64Å
109T98Very high97.5Very high65 Ų6541.1 Ų41.140%0.39924%0.235SC..  trans-63.9142.1177.154.50000111L103 N104 D107 A111L103-T109 CarbonylContact C-O 3.56Å; L103-T109 VanDerWaalsContact CA-O 3.27Å; L103-T109 WeakPolarHBondContact CA-O 3.39Å; N104-T109 PolarHBondContact N-O 2.97Å; N104-T109 PolarHBondContact ND2-OG1 3.48Å; D107-T109 PolarHBondContact O-N 3.3Å; D107-T109 VanDerWaalsContact OD1-CB 3.31Å; D107-T109 WeakPolarHBondContact OD1-CB 3.43Å; D107-T109 WeakPolarHBondContact OD1-CG2 3.23Å; D107-T109 PolarHBondContact OD1-N 3.41Å; D107-T109 PolarHBondContact OD1-OG1 3.47Å; D107-T109 WeakPolarHBondContact OD2-CG2 3.21Å; D107-T109 PolarHBondContact OD2-OG1 3.37Å; T109-A111 PolarHBondContact O-N 2.9Å; T109-A111 VanDerWaalsContact O-N 3.09Å
110V97.9Very high97.3Very high75 Ų7539.8 Ų39.846%0.45523%0.229SC..EExtended strand (participates in β ladder)trans-69.3108178.7-178.40000109L66 L103 W112 Q113L66-V110 HydrophobicContact CD2-CG2 4.14Å; L103-V110 HydrophobicContact CD2-CB 4.29Å; L103-V110 HydrophobicContact CD2-CG2 3.74Å; V110-W112 WeakPolarHBondContact CG1-O 3.17Å; V110-Q113 HydrophobicContact CG1-CB 4.16Å
111A98.3Very high96.9Very high42 Ų4240.2 Ų40.235%0.34723%0.232SC..EExtended strand (participates in β ladder)trans-69.8-45.7173.400000110.2A102 T109A102-A111 HydrophobicContact CB-CB 4.41Å; A102-A111 PolarHBondContact O-N 2.89Å; T109-A111 PolarHBondContact O-N 2.9Å; T109-A111 VanDerWaalsContact O-N 3.09Å
112W98.4Very high96.6Very high18 Ų1840.2 Ų40.27%0.06823%0.232CC..EExtended strand (participates in β ladder)trans-156.7162.6169.455.3-102.7000111.3Y92 V100 A102 V110 V131 L143 E145 A146Y92-W112 HydrophobicContact CD1-CH2 4.08Å; Y92-W112 AromaticContact CD1-CZ2 3.82Å; Y92-W112 HydrophobicContact CD1-CZ2 3.82Å; Y92-W112 HydrophobicContact CE1-CH2 4.28Å; Y92-W112 AromaticContact CE1-CZ2 3.55Å; Y92-W112 HydrophobicContact CE1-CZ2 3.55Å; V100-W112 HydrophobicContact CB-CZ3 4.15Å; V100-W112 HydrophobicContact CG1-CH2 3.78Å; V100-W112 HydrophobicContact CG1-CZ3 3.79Å; V100-W112 WeakPolarHBondContact O-CZ3 3.42Å; A102-W112 HydrophobicContact CB-CD2 3.51Å; A102-W112 HydrophobicContact CB-CE3 4.09Å; A102-W112 HydrophobicContact CB-CG 3.91Å; A102-W112 HydrophobicContact CB-CH2 4.14Å; A102-W112 HydrophobicContact CB-CZ2 3.6Å; A102-W112 HydrophobicContact CB-CZ3 4.36Å; A102-W112 PolarHBondContact N-O 2.99Å; A102-W112 PolarHBondContact O-N 3.45Å; V110-W112 WeakPolarHBondContact CG1-O 3.17Å; W112-V131 HydrophobicContact CH2-CG2 4.3Å; W112-V131 HydrophobicContact CZ2-CG2 4.04Å; W112-L143 HydrophobicContact CH2-CD1 4.17Å; W112-L143 HydrophobicContact CZ3-CD1 4.29Å; W112-E145 PolarHBondContact NE1-O 2.95Å; W112-A146 VanDerWaalsContact CD1-O 3.28Å
113Q97.8Very high96.3Very high87 Ų8742.9 Ų42.941%0.40724%0.242SC..EExtended strand (participates in β ladder)trans-140.2127.4173.6176.9-174.5-1300108.5V100 Y101 V110V100-Q113 WeakPolarHBondContact O-CA 3.43Å; Y101-Q113 HydrophobicContact CD1-CB 4.18Å; Y101-Q113 HydrophobicContact CD1-CG 3.8Å; Y101-Q113 HydrophobicContact CE1-CB 4.47Å; Y101-Q113 HydrophobicContact CE1-CG 3.7Å; V110-Q113 HydrophobicContact CG1-CB 4.16Å
114T98.2Very high96.2Very high23 Ų2342.9 Ų42.914%0.14124%0.242CC..EExtended strand (participates in β ladder)trans-126135.4-179-67.50000111.4Q99 V100 L143 G148 V150Q99-T114 WeakPolarHBondContact CA-O 3.3Å; V100-T114 PolarHBondContact N-O 3.44Å; V100-T114 PolarHBondContact O-N 2.9Å; T114-L143 HydrophobicContact CG2-CD1 4.37Å; T114-L143 HydrophobicContact CG2-CD2 4.42Å; T114-G148 WeakPolarHBondContact CB-O 3.38Å; T114-G148 VanDerWaalsContact CG2-O 3.23Å; T114-G148 WeakPolarHBondContact CG2-O 3.23Å; T114-G148 VanDerWaalsContact OG1-C 3.31Å; T114-G148 WeakPolarHBondContact OG1-CA 3.5Å; T114-G148 PolarHBondContact OG1-O 3.26Å; T114-V150 HydrophobicContact CG2-CG2 4.38Å
115K98Very high96.1Very high155 Ų15541.5 Ų41.567%0.67424%0.235SC*.EExtended strand (participates in β ladder)trans-78.1123.3167.9-173.2172.7-177.9174.10110.8A98A98-K115 CarbonylContact O-C 3.59Å; A98-K115 VanDerWaalsContact O-CA 3.29Å; A98-K115 WeakPolarHBondContact O-CA 3.4Å
116V97.6Very high96.1Very high9 Ų941.1 Ų41.16%0.05523%0.233CC..  trans-99173.4177.4-73.80000111.8A98 V100 G118 A120 L143A98-V116 VanDerWaalsContact C-CG2 3.46Å; A98-V116 HydrophobicContact CB-CG2 4.18Å; A98-V116 VanDerWaalsContact O-CG2 3.24Å; A98-V116 WeakPolarHBondContact O-CG2 3.07Å; A98-V116 PolarHBondContact O-N 3.32Å; V100-V116 HydrophobicContact CB-CG1 4.49Å; V100-V116 HydrophobicContact CG2-CB 4.48Å; V100-V116 HydrophobicContact CG2-CG1 3.62Å; V100-V116 HydrophobicContact CG2-CG2 4Å; V116-G118 VanDerWaalsContact C-N 3.26Å; V116-G118 WeakPolarHBondContact CG2-O 3.32Å; V116-G118 PolarHBondContact O-N 2.82Å; V116-A120 HydrophobicContact CG2-CB 4.28Å; V116-L143 HydrophobicContact CG1-CD1 3.98Å; V116-L143 HydrophobicContact CG1-CD2 4.29Å
117A95.1Very high96Very high49 Ų4938.2 Ų38.241%0.40521%0.212SC..SBendtrans-70.3-17.4-172.400000114.6N137 Q139A117-N137 PolarHBondContact O-ND2 2.81Å; A117-Q139 HydrophobicContact CB-CB 4.4Å; A117-Q139 HydrophobicContact CB-CG 4.06Å
118G93.8Very high95.9Very high10 Ų1040.6 Ų40.610%0.10323%0.225CC..SBendtrans-165.1-177.7-176.900000111.4A98 V116 A120A98-G118 VanDerWaalsContact CA-O 3.31Å; A98-G118 WeakPolarHBondContact CA-O 3.39Å; A98-G118 WeakPolarHBondContact CB-O 3.3Å; V116-G118 VanDerWaalsContact C-N 3.26Å; V116-G118 WeakPolarHBondContact CG2-O 3.32Å; V116-G118 PolarHBondContact O-N 2.82Å; G118-A120 PolarHBondContact O-N 2.89Å
119E93.1Very high95.8Very high53 Ų5341.8 Ų41.825%0.24824%0.238CC..  trans-59.9127.2177.8-48.5-172.8175.400109.7E96 L121 T135 S136 R164E96-E119 WeakPolarHBondContact O-CG 3.35Å; E119-L121 HydrophobicContact CB-CD2 3.86Å; E119-L121 HydrophobicContact CB-CG 4.01Å; E119-L121 PolarHBondContact O-N 2.87Å; E119-T135 CarbonylContact O-C 3.5Å; E119-T135 WeakPolarHBondContact O-CA 3.27Å; E119-S136 WeakPolarHBondContact CB-OG 3.33Å; E119-S136 PolarHBondContact O-N 2.93Å; E119-R164 IonicContact OE1-NH2 2.79Å; E119-R164 PolarHBondContact OE1-NH2 3.2Å; E119-R164 IonicContact OE2-CZ 3.75Å; E119-R164 IonicContact OE2-NH1 2.87Å; E119-R164 IonicContact OE2-NH2 3.87Å; E119-R164 PolarHBondContact OE2-NH2 3.1Å
120A94.1Very high95.8Very high0 Ų039 Ų390%022%0.22CC..  trans-91.682.1178.500000108.9G82 G94 S95 V100 V116 G118 I133G82-A120 PolarHBondContact N-O 2.92Å; G94-A120 CarbonylContact C-O 3.58Å; S95-A120 PolarHBondContact O-N 3.2Å; V100-A120 HydrophobicContact CG2-CB 4.26Å; V116-A120 HydrophobicContact CG2-CB 4.28Å; G118-A120 PolarHBondContact O-N 2.89Å; A120-I133 HydrophobicContact CB-CG2 3.81Å
121L89.8Confident95.8Very high9 Ų935.4 Ų35.45%0.04720%0.199CC..  trans-86.6-32.1-175.2-56.6-174.3000112.8N31 S81 G82 E96 E119 R164N31-L121 PolarHBondContact ND2-O 3.34Å; S81-L121 WeakPolarHBondContact OG-CD2 3.37Å; G82-L121 WeakPolarHBondContact CA-O 3.41Å; E96-L121 HydrophobicContact CG-CD2 3.86Å; E119-L121 HydrophobicContact CB-CD2 3.86Å; E119-L121 HydrophobicContact CB-CG 4.01Å; E119-L121 PolarHBondContact O-N 2.87Å; L121-R164 HydrophobicContact CD1-CB 4.17Å; L121-R164 HydrophobicContact CD1-CG 3.87Å
122S90.2Very high95.7Very high3 Ų333.4 Ų33.42%0.02118%0.182CC..SBendtrans-79.8150.7176.4-47.20000110.8G82 S167G82-S122 WeakPolarHBondContact CA-O 3.41Å; S122-S167 PolarHBondContact OG-N 3.48Å
123R93.3Very high95.6Very high55 Ų5532.6 Ų32.621%0.20818%0.179CC..PPolyproline II helixtrans-59.5132.1174.4175.3164.65270.64.9111.1H33 V84 T85 E166H33-R123 VanDerWaalsContact CE1-CD 3.4Å; H33-R123 WeakPolarHBondContact CE1-CD 3.15Å; H33-R123 PolarHBondContact CE1-NE 2.82Å; H33-R123 VanDerWaalsContact CE1-NE 3.33Å; H33-R123 WeakPolarHBondContact NE2-CD 3.35Å; H33-R123 PolarHBondContact NE2-NE 3.42Å; V84-R123 WeakPolarHBondContact O-CD 3.21Å; T85-R123 VanDerWaalsContact OG1-CD 3.23Å; T85-R123 WeakPolarHBondContact OG1-CD 3.21Å; T85-R123 WeakPolarHBondContact OG1-CG 3.42Å; R123-E166 VanDerWaalsContact CB-OE1 3.25Å; R123-E166 WeakPolarHBondContact CB-OE1 3.45Å; R123-E166 IonicContact NE-OE1 3.99Å
124P96.3Very high95.4Very high0 Ų028.7 Ų28.70%016%0.161CC..PPolyproline II helixtrans-58.5139.5172.2-25.635000111.9T85 V131 L132 I133T85-P124 WeakPolarHBondContact CB-O 3.24Å; T85-P124 WeakPolarHBondContact CG2-O 3.37Å; T85-P124 PolarHBondContact OG1-O 2.87Å; P124-V131 HydrophobicContact CB-CG1 3.75Å; P124-L132 WeakPolarHBondContact CA-O 3.26Å; P124-I133 HydrophobicContact CB-CD1 3.59Å; P124-I133 HydrophobicContact CG-CD1 3.72Å
125V97Very high95.1Very high20 Ų2027.7 Ų27.712%0.12116%0.155CC..EExtended strand (participates in β ladder)trans-116.3123.4175.2176.80000109.7L132 A168 P169 T171V125-L132 HydrophobicContact CB-CB 4.43Å; V125-L132 PolarHBondContact N-O 3.43Å; V125-L132 WeakPolarHBondContact O-CB 3.46Å; V125-L132 PolarHBondContact O-N 3.08Å; V125-A168 HydrophobicContact CG2-CB 4.17Å; V125-P169 HydrophobicContact CB-CG 4.18Å; V125-P169 WeakPolarHBondContact CG1-O 3.31Å; V125-P169 HydrophobicContact CG2-CG 4.3Å; V125-P169 VanDerWaalsContact CG2-O 3.26Å; V125-P169 WeakPolarHBondContact CG2-O 3.48Å; V125-T171 HydrophobicContact CG1-CG2 4.07Å
126V97.3Very high94.7Very high25 Ų2522 Ų2215%0.15214%0.135CC..EExtended strand (participates in β ladder)trans-105.9124.7-173.7-173.60000109.7T85 S87 Y92 L130 V131 E145T85-V126 HydrophobicContact CG2-CB 4.49Å; T85-V126 HydrophobicContact CG2-CG2 3.79Å; S87-V126 WeakPolarHBondContact OG-CG1 3.28Å; Y92-V126 HydrophobicContact CD2-CG2 3.48Å; Y92-V126 VanDerWaalsContact CD2-CG2 3.48Å; Y92-V126 HydrophobicContact CE2-CB 4.49Å; Y92-V126 HydrophobicContact CE2-CG1 4.32Å; Y92-V126 HydrophobicContact CE2-CG2 3.58Å; Y92-V126 HydrophobicContact CG-CG2 4.06Å; V126-L130 CarbonylContact C-O 3.48Å; V126-L130 VanDerWaalsContact CA-O 3.27Å; V126-L130 WeakPolarHBondContact CA-O 3.46Å; V126-V131 HydrophobicContact CG2-CG1 4.15Å; V126-V131 HydrophobicContact CG2-CG2 4.19Å; V126-E145 VanDerWaalsContact CG1-CD 3.44Å; V126-E145 HydrophobicContact CG1-CG 4.01Å; V126-E145 WeakPolarHBondContact CG1-OE1 3.4Å
127S96.5Very high94.2Very high30 Ų3024.4 Ų24.421%0.2115%0.147CC..EExtended strand (participates in β ladder)trans-161.3143.3178.5-166.50000110.5G129 L130S127-G129 VanDerWaalsContact C-N 3.25Å; S127-G129 PolarHBondContact O-N 2.79Å; S127-G129 VanDerWaalsContact O-N 3.16Å; S127-L130 PolarHBondContact N-O 3.07Å; S127-L130 WeakPolarHBondContact O-CB 3.41Å; S127-L130 PolarHBondContact O-N 3.42Å
128D94.7Very high93.9Very high123 Ų12322.2 Ų22.266%0.65813%0.129SC*.THydrogen-bonded Turntrans51.838.4175.4-60.3-37.6000114.5L130D128-L130 VanDerWaalsContact C-N 3.25Å; D128-L130 PolarHBondContact O-N 3.26Å
129G95.7Very high93.9Very high27 Ų2723.2 Ų23.228%0.27813%0.131SC..THydrogen-bonded Turntrans7217.5-178.800000114.1S127 E145S127-G129 VanDerWaalsContact C-N 3.25Å; S127-G129 PolarHBondContact O-N 2.79Å; S127-G129 VanDerWaalsContact O-N 3.16Å; G129-E145 WeakPolarHBondContact CA-OE2 3.32Å; G129-E145 WeakPolarHBondContact O-CB 3.48Å; G129-E145 PolarHBondContact O-N 2.82Å
130L97.8Very high94Very high6 Ų620.7 Ų20.73%0.03112%0.119CC..EExtended strand (participates in β ladder)trans-118.9142.4176.4-56.9178.5000111.1V126 S127 D128 L132 A142 L143 K151 M190V126-L130 CarbonylContact C-O 3.48Å; V126-L130 VanDerWaalsContact CA-O 3.27Å; V126-L130 WeakPolarHBondContact CA-O 3.46Å; S127-L130 PolarHBondContact N-O 3.07Å; S127-L130 WeakPolarHBondContact O-CB 3.41Å; S127-L130 PolarHBondContact O-N 3.42Å; D128-L130 VanDerWaalsContact C-N 3.25Å; D128-L130 PolarHBondContact O-N 3.26Å; L130-L132 HydrophobicContact CB-CD2 4.42Å; L130-A142 HydrophobicContact CB-CB 4.39Å; L130-A142 HydrophobicContact CD1-CB 4.21Å; L130-A142 HydrophobicContact CD2-CB 4.3Å; L130-L143 CarbonylContact C-O 3.51Å; L130-L143 VanDerWaalsContact CA-O 3.23Å; L130-L143 WeakPolarHBondContact CA-O 3.06Å; L130-K151 HydrophobicContact CD2-CD 3.45Å; L130-K151 VanDerWaalsContact CD2-CD 3.45Å; L130-K151 VanDerWaalsContact CD2-CE 3.46Å; L130-K151 HydrophobicContact CD2-CG 4.21Å; L130-K151 VanDerWaalsContact CD2-NZ 3.26Å; L130-M190 HydrophobicContact CB-CE 4.39Å; L130-M190 HydrophobicContact CD1-CB 4.3Å; L130-M190 HydrophobicContact CD1-CE 4.1Å; L130-M190 WeakPolarHBondContact CD1-O 3.39Å
131V98Very high94.1Very high0 Ų021.1 Ų21.10%012%0.121CC..EExtended strand (participates in β ladder)trans-103.8110.5163.9-168.60000107.9Y92 W112 P124 V126 I133 A142 L143 E145Y92-V131 HydrophobicContact CD1-CG1 4.37Å; Y92-V131 HydrophobicContact CD1-CG2 3.96Å; Y92-V131 HydrophobicContact CE1-CG2 3.77Å; W112-V131 HydrophobicContact CH2-CG2 4.3Å; W112-V131 HydrophobicContact CZ2-CG2 4.04Å; P124-V131 HydrophobicContact CB-CG1 3.75Å; V126-V131 HydrophobicContact CG2-CG1 4.15Å; V126-V131 HydrophobicContact CG2-CG2 4.19Å; V131-I133 HydrophobicContact CG1-CD1 3.81Å; V131-I133 HydrophobicContact CG1-CG1 4.4Å; V131-A142 WeakPolarHBondContact O-CA 3.36Å; V131-L143 HydrophobicContact CB-CB 4.24Å; V131-L143 PolarHBondContact N-O 3.06Å; V131-L143 PolarHBondContact O-N 3.19Å; V131-E145 HydrophobicContact CG2-CB 4.33Å; V131-E145 HydrophobicContact CG2-CG 4.39Å
132L97.8Very high94.5Very high0 Ų020.7 Ų20.70%012%0.119CC..EExtended strand (participates in β ladder)trans-85.9129.4176.8-54177.1000110.1P124 V125 L130 Q141 A142 W152 P169 T171 A176 M190P124-L132 WeakPolarHBondContact CA-O 3.26Å; V125-L132 HydrophobicContact CB-CB 4.43Å; V125-L132 PolarHBondContact N-O 3.43Å; V125-L132 WeakPolarHBondContact O-CB 3.46Å; V125-L132 PolarHBondContact O-N 3.08Å; L130-L132 HydrophobicContact CB-CD2 4.42Å; L132-Q141 CarbonylContact C-O 3.54Å; L132-Q141 WeakPolarHBondContact CA-O 3.34Å; L132-A142 HydrophobicContact CD2-CB 3.93Å; L132-W152 HydrophobicContact CD2-CH2 4.05Å; L132-W152 HydrophobicContact CD2-CZ2 3.92Å; L132-P169 HydrophobicContact CB-CB 4.48Å; L132-P169 HydrophobicContact CB-CG 3.5Å; L132-P169 HydrophobicContact CD1-CB 4.07Å; L132-P169 HydrophobicContact CD1-CG 3.85Å; L132-P169 HydrophobicContact CG-CG 4.39Å; L132-T171 HydrophobicContact CD1-CG2 3.59Å; L132-A176 HydrophobicContact CD1-CB 3.86Å; L132-M190 HydrophobicContact CD1-CE 3.71Å; L132-M190 HydrophobicContact CD1-SD 3.51Å; L132-M190 VanDerWaalsContact CD1-SD 3.51Å; L132-M190 HydrophobicContact CD2-CE 3.88Å; L132-M190 HydrophobicContact CD2-SD 3.7Å; L132-M190 HydrophobicContact CG-CE 3.95Å; L132-M190 HydrophobicContact CG-SD 4.07Å
133I96.4Very high94.9Very high0 Ų020.6 Ų20.60%012%0.118CC..EExtended strand (participates in β ladder)trans-127120.4-177.7-53.1-66.6000108.2V100 A120 P124 V131 T135 L140 Q141 L143V100-I133 HydrophobicContact CG1-CD1 4.06Å; V100-I133 HydrophobicContact CG2-CD1 3.76Å; V100-I133 HydrophobicContact CG2-CG1 4Å; V100-I133 HydrophobicContact CG2-CG2 4.41Å; A120-I133 HydrophobicContact CB-CG2 3.81Å; P124-I133 HydrophobicContact CB-CD1 3.59Å; P124-I133 HydrophobicContact CG-CD1 3.72Å; V131-I133 HydrophobicContact CG1-CD1 3.81Å; V131-I133 HydrophobicContact CG1-CG1 4.4Å; I133-T135 HydrophobicContact CG2-CG2 3.85Å; I133-L140 CarbonylContact O-C 3.59Å; I133-L140 WeakPolarHBondContact O-CA 3.34Å; I133-Q141 PolarHBondContact N-O 2.77Å; I133-Q141 PolarHBondContact O-N 2.98Å; I133-L143 HydrophobicContact CG1-CD1 4.2Å; I133-L143 HydrophobicContact CG1-CG 4.38Å
134H93.3Very high95.1Very high6 Ų619.9 Ų19.93%0.02812%0.118CC..EExtended strand (participates in β ladder)trans-95.5128.6163.9-173.9-132.2000108.9S167H134-S167 WeakPolarHBondContact CB-O 3.22Å; H134-S167 WeakPolarHBondContact ND1-CB 3.36Å; H134-S167 PolarHBondContact ND1-O 2.74Å; H134-S167 VanDerWaalsContact ND1-O 3.17Å
135T92.1Very high95.2Very high2 Ų221.5 Ų21.51%0.01213%0.126CC..  trans-111.3154-173.653.90000110.8E119 I133 N137 G138 Q139E119-T135 CarbonylContact O-C 3.5Å; E119-T135 WeakPolarHBondContact O-CA 3.27Å; I133-T135 HydrophobicContact CG2-CG2 3.85Å; T135-N137 WeakPolarHBondContact CB-OD1 3.38Å; T135-N137 PolarHBondContact O-N 2.8Å; T135-N137 PolarHBondContact OG1-OD1 2.86Å; T135-G138 PolarHBondContact O-N 3.4Å; T135-Q139 PolarHBondContact N-O 3.24Å; T135-Q139 WeakPolarHBondContact OG1-CA 3.46Å; T135-Q139 VanDerWaalsContact OG1-CB 3.26Å; T135-Q139 WeakPolarHBondContact OG1-CB 3.46Å; T135-Q139 PolarHBondContact OG1-N 3.39Å; T135-Q139 PolarHBondContact OG1-O 3.09Å
136S88.1Confident95.2Very high36 Ų3624 Ų2425%0.25215%0.149SC..THydrogen-bonded Turntrans-64.3-6-177.8680000115.5E119E119-S136 WeakPolarHBondContact CB-OG 3.33Å; E119-S136 PolarHBondContact O-N 2.93Å
137N88Confident95.2Very high58 Ų5826.9 Ų26.931%0.3116%0.164SC..THydrogen-bonded Turntrans-105.222.1173.364.7-0.2000112.5A117 T135 Q139 M158A117-N137 PolarHBondContact O-ND2 2.81Å; T135-N137 WeakPolarHBondContact CB-OD1 3.38Å; T135-N137 PolarHBondContact O-N 2.8Å; T135-N137 PolarHBondContact OG1-OD1 2.86Å; N137-Q139 VanDerWaalsContact C-N 3.32Å; N137-Q139 PolarHBondContact O-N 2.91Å; N137-Q139 PolarHBondContact O-NE2 3.47Å; N137-Q139 WeakPolarHBondContact OD1-CG 3.29Å; N137-M158 VanDerWaalsContact CA-SD 3.5Å
138G88.8Confident95.3Very high3 Ų325.5 Ų25.53%0.03115%0.154CC..SBendtrans68.425.5174.900000114.1T135 L156T135-G138 PolarHBondContact O-N 3.4Å; G138-L156 WeakPolarHBondContact O-CB 3.47Å; G138-L156 PolarHBondContact O-N 2.9Å
139Q93.1Very high95.5Very high32 Ų3222 Ų2215%0.1514%0.142CC..EExtended strand (participates in β ladder)trans-94.3132.6169.4-51.7-56.2-62.200110.5A117 T135 N137 Q141 T153 V154 N155A117-Q139 HydrophobicContact CB-CB 4.4Å; A117-Q139 HydrophobicContact CB-CG 4.06Å; T135-Q139 PolarHBondContact N-O 3.24Å; T135-Q139 WeakPolarHBondContact OG1-CA 3.46Å; T135-Q139 VanDerWaalsContact OG1-CB 3.26Å; T135-Q139 WeakPolarHBondContact OG1-CB 3.46Å; T135-Q139 PolarHBondContact OG1-N 3.39Å; T135-Q139 PolarHBondContact OG1-O 3.09Å; N137-Q139 VanDerWaalsContact C-N 3.32Å; N137-Q139 PolarHBondContact O-N 2.91Å; N137-Q139 PolarHBondContact O-NE2 3.47Å; N137-Q139 WeakPolarHBondContact OD1-CG 3.29Å; Q139-Q141 HydrophobicContact CB-CG 4.3Å; Q139-T153 HydrophobicContact CB-CG2 4.12Å; Q139-T153 HydrophobicContact CG-CG2 4.26Å; Q139-V154 WeakPolarHBondContact CA-O 3.4Å; Q139-V154 PolarHBondContact OE1-O 2.83Å; Q139-N155 PolarHBondContact NE2-OD1 3.45Å
140L95.4Very high95.6Very high0 Ų023.9 Ų23.90%015%0.148CC..EExtended strand (participates in β ladder)trans-94.6121.9158.4-174.868.2000107.9I133 W152 T153 V154 L156 P169 A176 V178 V188I133-L140 CarbonylContact O-C 3.59Å; I133-L140 WeakPolarHBondContact O-CA 3.34Å; L140-W152 HydrophobicContact CB-CZ3 4.17Å; L140-W152 HydrophobicContact CD2-CH2 3.66Å; L140-W152 HydrophobicContact CD2-CZ3 3.9Å; L140-W152 HydrophobicContact CG-CH2 3.72Å; L140-W152 HydrophobicContact CG-CZ3 3.67Å; L140-W152 VanDerWaalsContact O-CZ3 3.29Å; L140-W152 WeakPolarHBondContact O-CZ3 3.32Å; L140-T153 WeakPolarHBondContact O-CA 3.38Å; L140-V154 HydrophobicContact CB-CB 4.48Å; L140-V154 PolarHBondContact N-O 2.88Å; L140-V154 PolarHBondContact O-N 3.35Å; L140-L156 HydrophobicContact CB-CD1 4.1Å; L140-L156 HydrophobicContact CB-CD2 4.47Å; L140-L156 HydrophobicContact CB-CG 4.3Å; L140-P169 HydrophobicContact CD1-CB 4.03Å; L140-P169 HydrophobicContact CD1-CG 3.96Å; L140-A176 HydrophobicContact CD2-CB 4.35Å; L140-V178 HydrophobicContact CD2-CG1 4.22Å; L140-V188 HydrophobicContact CD2-CB 4.37Å; L140-V188 HydrophobicContact CD2-CG2 4.34Å
141Q97.3Very high95.6Very high9 Ų928.9 Ų28.94%0.04217%0.169CC..EExtended strand (participates in β ladder)trans-118.3143.6175.9-60.7-165.9-68.800110.1L132 I133 Q139 W152 T153L132-Q141 CarbonylContact C-O 3.54Å; L132-Q141 WeakPolarHBondContact CA-O 3.34Å; I133-Q141 PolarHBondContact N-O 2.77Å; I133-Q141 PolarHBondContact O-N 2.98Å; Q139-Q141 HydrophobicContact CB-CG 4.3Å; Q141-W152 WeakPolarHBondContact CA-O 3.41Å; Q141-T153 HydrophobicContact CG-CG2 3.86Å; Q141-T153 PolarHBondContact NE2-OG1 3.39Å
142A98.1Very high95.6Very high0 Ų030 Ų300%017%0.173CC..EExtended strand (participates in β ladder)trans-110.1128.8163.100000110L130 V131 L132 K151 W152L130-A142 HydrophobicContact CB-CB 4.39Å; L130-A142 HydrophobicContact CD1-CB 4.21Å; L130-A142 HydrophobicContact CD2-CB 4.3Å; V131-A142 WeakPolarHBondContact O-CA 3.36Å; L132-A142 HydrophobicContact CD2-CB 3.93Å; A142-K151 PolarHBondContact O-N 2.91Å; A142-W152 HydrophobicContact CB-CD2 3.66Å; A142-W152 HydrophobicContact CB-CE3 4.22Å; A142-W152 HydrophobicContact CB-CG 4.19Å; A142-W152 HydrophobicContact CB-CH2 3.96Å; A142-W152 HydrophobicContact CB-CZ2 3.37Å; A142-W152 HydrophobicContact CB-CZ3 4.36Å; A142-W152 PolarHBondContact N-O 3.4Å
143L98.4Very high95.5Very high0 Ų033.1 Ų33.10%019%0.193CC..EExtended strand (participates in β ladder)trans-104.4149.3171.8-46.4-177.5000108.9V100 W112 T114 V116 L130 V131 I133 E145 A149 V150V100-L143 HydrophobicContact CB-CD1 4.07Å; V100-L143 HydrophobicContact CG1-CD1 4.19Å; V100-L143 HydrophobicContact CG2-CD1 4.22Å; W112-L143 HydrophobicContact CH2-CD1 4.17Å; W112-L143 HydrophobicContact CZ3-CD1 4.29Å; T114-L143 HydrophobicContact CG2-CD1 4.37Å; T114-L143 HydrophobicContact CG2-CD2 4.42Å; V116-L143 HydrophobicContact CG1-CD1 3.98Å; V116-L143 HydrophobicContact CG1-CD2 4.29Å; L130-L143 CarbonylContact C-O 3.51Å; L130-L143 VanDerWaalsContact CA-O 3.23Å; L130-L143 WeakPolarHBondContact CA-O 3.06Å; V131-L143 HydrophobicContact CB-CB 4.24Å; V131-L143 PolarHBondContact N-O 3.06Å; V131-L143 PolarHBondContact O-N 3.19Å; I133-L143 HydrophobicContact CG1-CD1 4.2Å; I133-L143 HydrophobicContact CG1-CG 4.38Å; L143-E145 PolarHBondContact O-N 3.11Å; L143-A149 CarbonylContact C-O 3.13Å; L143-A149 WeakPolarHBondContact CA-O 3.28Å; L143-V150 HydrophobicContact CD2-CB 4.13Å; L143-V150 HydrophobicContact CD2-CG1 4.47Å; L143-V150 HydrophobicContact CD2-CG2 3.58Å
144N97.8Very high95.5Very high40 Ų4034 Ų3421%0.21420%0.198CC..EExtended strand (participates in β ladder)trans-67.3128.9167.1175.71000109.6A146 D147 G148 A149 K151N144-A146 PolarHBondContact O-N 3.28Å; N144-A146 PolarHBondContact OD1-N 3.39Å; N144-A146 VanDerWaalsContact OD1-N 3.08Å; N144-D147 WeakPolarHBondContact CB-OD1 3.45Å; N144-D147 VanDerWaalsContact CG-OD1 3.24Å; N144-D147 PolarHBondContact ND2-OD1 2.85Å; N144-D147 VanDerWaalsContact ND2-OD1 3.07Å; N144-D147 PolarHBondContact ND2-OD2 3.5Å; N144-G148 VanDerWaalsContact O-CA 3.23Å; N144-G148 WeakPolarHBondContact O-CA 3.35Å; N144-G148 PolarHBondContact O-N 2.93Å; N144-A149 HydrophobicContact CB-CB 4.38Å; N144-A149 PolarHBondContact N-O 3.14Å; N144-K151 HydrophobicContact CB-CG 4.45Å
145E97.4Very high95.5Very high35 Ų3538.7 Ų38.716%0.16422%0.223CC..THydrogen-bonded Turntrans-58.5-32.4-178.7-169.4179.1-178.300113.5S87 Y92 W112 V126 G129 V131 L143S87-E145 PolarHBondContact OG-OE1 2.74Å; S87-E145 VanDerWaalsContact OG-OE1 3.13Å; Y92-E145 HydrophobicContact CE1-CG 4.39Å; Y92-E145 WeakPolarHBondContact OH-CG 3.38Å; Y92-E145 PolarHBondContact OH-OE1 2.78Å; W112-E145 PolarHBondContact NE1-O 2.95Å; V126-E145 VanDerWaalsContact CG1-CD 3.44Å; V126-E145 HydrophobicContact CG1-CG 4.01Å; V126-E145 WeakPolarHBondContact CG1-OE1 3.4Å; G129-E145 WeakPolarHBondContact CA-OE2 3.32Å; G129-E145 WeakPolarHBondContact O-CB 3.48Å; G129-E145 PolarHBondContact O-N 2.82Å; V131-E145 HydrophobicContact CG2-CB 4.33Å; V131-E145 HydrophobicContact CG2-CG 4.39Å; L143-E145 PolarHBondContact O-N 3.11Å
146A97.3Very high95.3Very high73 Ų7338.8 Ų38.860%0.60322%0.224SC*.THydrogen-bonded Turntrans-81.7-32.1-172.700000114.5W112 N144W112-A146 VanDerWaalsContact CD1-O 3.28Å; N144-A146 PolarHBondContact O-N 3.28Å; N144-A146 PolarHBondContact OD1-N 3.39Å; N144-A146 VanDerWaalsContact OD1-N 3.08Å
147D97.7Very high94.8Very high85 Ų8541.3 Ų41.346%0.45524%0.235SC..THydrogen-bonded Turntrans-135.7-2.9-171.262.115.9000114N144 A149N144-D147 WeakPolarHBondContact CB-OD1 3.45Å; N144-D147 VanDerWaalsContact CG-OD1 3.24Å; N144-D147 PolarHBondContact ND2-OD1 2.85Å; N144-D147 VanDerWaalsContact ND2-OD1 3.07Å; N144-D147 PolarHBondContact ND2-OD2 3.5Å; D147-A149 PolarHBondContact O-N 3.11Å; D147-A149 WeakPolarHBondContact OD1-CB 3.4Å; D147-A149 PolarHBondContact OD1-N 2.74Å
148G98Very high94.2Very high0 Ų041.7 Ų41.70%024%0.235CC..  trans71.99.6-178.500000114.5T114 N144 V150T114-G148 WeakPolarHBondContact CB-O 3.38Å; T114-G148 VanDerWaalsContact CG2-O 3.23Å; T114-G148 WeakPolarHBondContact CG2-O 3.23Å; T114-G148 VanDerWaalsContact OG1-C 3.31Å; T114-G148 WeakPolarHBondContact OG1-CA 3.5Å; T114-G148 PolarHBondContact OG1-O 3.26Å; N144-G148 VanDerWaalsContact O-CA 3.23Å; N144-G148 WeakPolarHBondContact O-CA 3.35Å; N144-G148 PolarHBondContact O-N 2.93Å; G148-V150 PolarHBondContact O-N 2.8Å
149A98.4Very high93.3Very high49 Ų4943.7 Ų43.741%0.40525%0.248SC..  trans-65.2130.7-179.300000111.6L143 N144 D147 K151L143-A149 CarbonylContact C-O 3.13Å; L143-A149 WeakPolarHBondContact CA-O 3.28Å; N144-A149 HydrophobicContact CB-CB 4.38Å; N144-A149 PolarHBondContact N-O 3.14Å; D147-A149 PolarHBondContact O-N 3.11Å; D147-A149 WeakPolarHBondContact OD1-CB 3.4Å; D147-A149 PolarHBondContact OD1-N 2.74Å; A149-K151 PolarHBondContact O-N 3.31Å; A149-K151 VanDerWaalsContact O-N 3.16Å
150V98.1Very high92Very high68 Ų6848 Ų4841%0.41228%0.281SS..EExtended strand (participates in β ladder)trans-65.4114.8177.3-176.70000109.5T114 L143 G148T114-V150 HydrophobicContact CG2-CG2 4.38Å; L143-V150 HydrophobicContact CD2-CB 4.13Å; L143-V150 HydrophobicContact CD2-CG1 4.47Å; L143-V150 HydrophobicContact CD2-CG2 3.58Å; G148-V150 PolarHBondContact O-N 2.8Å
151K97.8Very high90.6Very high111 Ų11151.6 Ų51.648%0.48330%0.3SS..EExtended strand (participates in β ladder)trans-83.7-42.1175.1-66-154.1-167.2166.60112.1L130 A142 N144 A149L130-K151 HydrophobicContact CD2-CD 3.45Å; L130-K151 VanDerWaalsContact CD2-CD 3.45Å; L130-K151 VanDerWaalsContact CD2-CE 3.46Å; L130-K151 HydrophobicContact CD2-CG 4.21Å; L130-K151 VanDerWaalsContact CD2-NZ 3.26Å; A142-K151 PolarHBondContact O-N 2.91Å; N144-K151 HydrophobicContact CB-CG 4.45Å; A149-K151 PolarHBondContact O-N 3.31Å; A149-K151 VanDerWaalsContact O-N 3.16Å
152W98Very high89.1Confident22 Ų2252.9 Ų52.98%0.08331%0.311CS..EExtended strand (participates in β ladder)trans-156.2164.1177.952.2-107000111.5L132 L140 Q141 A142 V154 M190 Q192L132-W152 HydrophobicContact CD2-CH2 4.05Å; L132-W152 HydrophobicContact CD2-CZ2 3.92Å; L140-W152 HydrophobicContact CB-CZ3 4.17Å; L140-W152 HydrophobicContact CD2-CH2 3.66Å; L140-W152 HydrophobicContact CD2-CZ3 3.9Å; L140-W152 HydrophobicContact CG-CH2 3.72Å; L140-W152 HydrophobicContact CG-CZ3 3.67Å; L140-W152 VanDerWaalsContact O-CZ3 3.29Å; L140-W152 WeakPolarHBondContact O-CZ3 3.32Å; Q141-W152 WeakPolarHBondContact CA-O 3.41Å; A142-W152 HydrophobicContact CB-CD2 3.66Å; A142-W152 HydrophobicContact CB-CE3 4.22Å; A142-W152 HydrophobicContact CB-CG 4.19Å; A142-W152 HydrophobicContact CB-CH2 3.96Å; A142-W152 HydrophobicContact CB-CZ2 3.37Å; A142-W152 HydrophobicContact CB-CZ3 4.36Å; A142-W152 PolarHBondContact N-O 3.4Å; W152-V154 HydrophobicContact CE3-CG2 3.71Å; W152-V154 HydrophobicContact CZ3-CB 4.39Å; W152-V154 HydrophobicContact CZ3-CG2 3.83Å; W152-M190 PolarHBondContact NE1-O 2.87Å; W152-Q192 VanDerWaalsContact CD1-C 3.47Å
153T97.2Very high87.4Confident66 Ų6655.3 Ų55.341%0.40532%0.323SS..EExtended strand (participates in β ladder)trans-142.1127.3175.5-62.10000108.3Q139 L140 Q141Q139-T153 HydrophobicContact CB-CG2 4.12Å; Q139-T153 HydrophobicContact CG-CG2 4.26Å; L140-T153 WeakPolarHBondContact O-CA 3.38Å; Q141-T153 HydrophobicContact CG-CG2 3.86Å; Q141-T153 PolarHBondContact NE2-OG1 3.39Å
154V95.2Very high86Confident19 Ų1961.3 Ų61.312%0.11535%0.346CS..EExtended strand (participates in β ladder)trans-119.4127.7-179.2179.80000108.4Q139 L140 W152 L156 V188 G193 M195Q139-V154 WeakPolarHBondContact CA-O 3.4Å; Q139-V154 PolarHBondContact OE1-O 2.83Å; L140-V154 HydrophobicContact CB-CB 4.48Å; L140-V154 PolarHBondContact N-O 2.88Å; L140-V154 PolarHBondContact O-N 3.35Å; W152-V154 HydrophobicContact CE3-CG2 3.71Å; W152-V154 HydrophobicContact CZ3-CB 4.39Å; W152-V154 HydrophobicContact CZ3-CG2 3.83Å; V154-L156 HydrophobicContact CG1-CD2 4.17Å; V154-V188 HydrophobicContact CG2-CG1 4.27Å; V154-G193 WeakPolarHBondContact CG2-O 3.38Å; V154-M195 HydrophobicContact CG1-CE 3.88Å
155N93Very high84.6Confident104 Ų10459.8 Ų59.856%0.55634%0.34SS*.EExtended strand (participates in β ladder)trans-84.8120.2173.8-173.810.9000109.9Q139 D157Q139-N155 PolarHBondContact NE2-OD1 3.45Å; N155-D157 VanDerWaalsContact C-N 3.34Å; N155-D157 PolarHBondContact OD1-N 3Å
156L87.6Confident83.3Confident5 Ų558.9 Ų58.93%0.02634%0.335CS..  trans-90.77.1-178.9-58.6178.8000113.9G138 L140 V154 V178 N182 M195G138-L156 WeakPolarHBondContact O-CB 3.47Å; G138-L156 PolarHBondContact O-N 2.9Å; L140-L156 HydrophobicContact CB-CD1 4.1Å; L140-L156 HydrophobicContact CB-CD2 4.47Å; L140-L156 HydrophobicContact CB-CG 4.3Å; V154-L156 HydrophobicContact CG1-CD2 4.17Å; L156-V178 HydrophobicContact CD1-CB 4.46Å; L156-V178 HydrophobicContact CD1-CG1 3.61Å; L156-V178 HydrophobicContact CD1-CG2 3.98Å; L156-V178 HydrophobicContact CD2-CG1 4.03Å; L156-V178 HydrophobicContact CG-CG1 4.5Å; L156-N182 PolarHBondContact O-ND2 2.89Å; L156-M195 HydrophobicContact CD2-CE 4.35Å
157D78.3Confident82.6Confident89 Ų8955.5 Ų55.548%0.47631%0.307SS..  trans64.582.3177-176.536.3000112.5N155 N182 R184N155-D157 VanDerWaalsContact C-N 3.34Å; N155-D157 PolarHBondContact OD1-N 3Å; D157-N182 WeakPolarHBondContact O-CB 2.96Å; D157-N182 PolarHBondContact O-ND2 2.93Å; D157-R184 IonicContact OD2-CZ 3.9Å; D157-R184 IonicContact OD2-NH1 3.25Å; D157-R184 PolarHBondContact OD2-NH1 2.78Å
158M75.2Confident82.2Confident65 Ų6551.5 Ų51.532%0.3229%0.286SS..  trans-86.9139-178-162.6177.279.600112.5N137 S162 D181N137-M158 VanDerWaalsContact CA-SD 3.5Å; M158-S162 PolarHBondContact SD-OG 2.8Å; M158-D181 HydrophobicContact CG-CB 4.41Å
159P69.3Low82Confident45 Ų4551.5 Ų51.529%0.29229%0.286SS..  trans-64.2168.3168.928.3-35.3000112.7L161 D181P159-L161 VanDerWaalsContact CG-O 3.24Å; P159-L161 WeakPolarHBondContact CG-O 3.26Å; P159-L161 PolarHBondContact O-N 2.99Å; P159-D181 HydrophobicContact CG-CB 4.1Å
160S67.5Low81.8Confident123 Ų12350 Ų5086%0.8627%0.273SS*.SBendtrans-65.8-19.9177.752.20000114.1
161L64.8Low81.7Confident75 Ų7549.2 Ų49.239%0.39327%0.269SS..SBendtrans-133.5126175.4-170.175.4000107.2P159 E209 L213P159-L161 VanDerWaalsContact CG-O 3.24Å; P159-L161 WeakPolarHBondContact CG-O 3.26Å; P159-L161 PolarHBondContact O-N 2.99Å; L161-E209 HydrophobicContact CD2-CB 4.31Å; L161-L213 HydrophobicContact CB-CD2 4.36Å; L161-L213 HydrophobicContact CD2-CD1 4.39Å; L161-L213 HydrophobicContact CD2-CD2 3.89Å; L161-L213 HydrophobicContact CD2-CG 4.31Å; L161-L213 HydrophobicContact CG-CD2 4.01Å
162S65.7Low81.6Confident37 Ų3744.7 Ų44.726%0.25925%0.252SS..  trans-128.6150.7173.153.90000110.2M158 D181M158-S162 PolarHBondContact SD-OG 2.8Å; S162-D181 WeakPolarHBondContact CB-OD2 3.4Å
163L63.3Low81.3Confident51 Ų5152.7 Ų52.727%0.26729%0.288SS..  trans-75152167.8-68.2164.7000109.5G165 L213 D215 D217 Y232L163-G165 PolarHBondContact O-N 2.9Å; L163-L213 HydrophobicContact CD1-CB 4.32Å; L163-L213 HydrophobicContact CD1-CD1 4.32Å; L163-L213 HydrophobicContact CD2-CD1 3.94Å; L163-L213 HydrophobicContact CG-CD1 4.02Å; L163-L213 HydrophobicContact CG-CD2 4.3Å; L163-D215 WeakPolarHBondContact CA-OD2 3.31Å; L163-D215 HydrophobicContact CB-CB 4.41Å; L163-D215 WeakPolarHBondContact CB-OD2 3.42Å; L163-D215 HydrophobicContact CD1-CB 4.09Å; L163-D215 WeakPolarHBondContact CD1-OD2 3.18Å; L163-D215 WeakPolarHBondContact CG-OD2 3.4Å; L163-D215 PolarHBondContact N-OD2 3.38Å; L163-D217 WeakPolarHBondContact CB-OD2 3.47Å; L163-Y232 HydrophobicContact CD1-CD1 4.15Å; L163-Y232 HydrophobicContact CD1-CD2 3.36Å; L163-Y232 HydrophobicContact CD1-CE1 4.02Å; L163-Y232 HydrophobicContact CD1-CE2 3.21Å; L163-Y232 HydrophobicContact CD1-CG 3.85Å
164R68.5Low81.1Confident126 Ų12650.8 Ų50.848%0.47528%0.282SS..  trans-85.3101.2169-70.7-173.2169.3-148.3-11.6107.1Y29 E96 E119 L121Y29-R164 WeakPolarHBondContact CE1-O 3.48Å; E96-R164 IonicContact OE2-NH1 3.06Å; E119-R164 IonicContact OE1-NH2 2.79Å; E119-R164 PolarHBondContact OE1-NH2 3.2Å; E119-R164 IonicContact OE2-CZ 3.75Å; E119-R164 IonicContact OE2-NH1 2.87Å; E119-R164 IonicContact OE2-NH2 3.87Å; E119-R164 PolarHBondContact OE2-NH2 3.1Å; L121-R164 HydrophobicContact CD1-CB 4.17Å; L121-R164 HydrophobicContact CD1-CG 3.87Å
165G67.6Low81.2Confident8 Ų850.4 Ų50.48%0.08228%0.28CS..  trans-125178.5179.300000114.3N31 L163N31-G165 PolarHBondContact ND2-O 2.95Å; L163-G165 PolarHBondContact O-N 2.9Å
166E71.2Confident81.3Confident16 Ų1645.4 Ų45.48%0.07525%0.254CS..BIsolated β-bridgetrans-105.274.1173.8-165.9173.1175.900111.4N31 R123 A168 D217 T218 T219N31-E166 HydrophobicContact CB-CB 4.42Å; N31-E166 HydrophobicContact CB-CG 4.3Å; N31-E166 WeakPolarHBondContact CB-OE2 3.21Å; R123-E166 VanDerWaalsContact CB-OE1 3.25Å; R123-E166 WeakPolarHBondContact CB-OE1 3.45Å; R123-E166 IonicContact NE-OE1 3.99Å; E166-A168 HydrophobicContact CG-CB 4.37Å; E166-A168 PolarHBondContact O-N 2.98Å; E166-A168 VanDerWaalsContact O-N 3.11Å; E166-D217 CarbonylContact C-O 3.46Å; E166-D217 PolarHBondContact N-O 2.82Å; E166-D217 VanDerWaalsContact N-O 3.14Å; E166-T218 CarbonylContact O-C 3.54Å; E166-T219 PolarHBondContact O-N 3.48Å; E166-T219 PolarHBondContact O-OG1 2.81Å
167S82Confident81.7Confident2 Ų245.2 Ų45.21%0.01425%0.252CS..  trans-87.258.6170-27.50000110.8S122 H134 G179 V216 D217S122-S167 PolarHBondContact OG-N 3.48Å; H134-S167 WeakPolarHBondContact CB-O 3.22Å; H134-S167 WeakPolarHBondContact ND1-CB 3.36Å; H134-S167 PolarHBondContact ND1-O 2.74Å; H134-S167 VanDerWaalsContact ND1-O 3.17Å; S167-G179 WeakPolarHBondContact CB-O 3.42Å; S167-V216 WeakPolarHBondContact CB-O 3.47Å; S167-V216 PolarHBondContact OG-O 2.8Å; S167-D217 WeakPolarHBondContact OG-CA 3.37Å
168A89.8Confident82.5Confident0 Ų041 Ų410%023%0.23CC..PPolyproline II helixtrans-62.9143.2174.800000109.8V125 E166 T219 P220V125-A168 HydrophobicContact CG2-CB 4.17Å; E166-A168 HydrophobicContact CG-CB 4.37Å; E166-A168 PolarHBondContact O-N 2.98Å; E166-A168 VanDerWaalsContact O-N 3.11Å; A168-T219 HydrophobicContact CB-CG2 4.21Å; A168-T219 VanDerWaalsContact CB-OG1 3.26Å; A168-T219 WeakPolarHBondContact CB-OG1 3.47Å; A168-T219 PolarHBondContact N-OG1 2.75Å; A168-T219 WeakPolarHBondContact O-CG2 3.45Å; A168-P220 WeakPolarHBondContact O-CD 3.16Å
169P93.4Very high83.1Confident1 Ų137.9 Ų37.91%0.00622%0.215CC..PPolyproline II helixtrans-77.2135.5179.728.5-31.3000111V125 L132 L140 A176 V177 V178V125-P169 HydrophobicContact CB-CG 4.18Å; V125-P169 WeakPolarHBondContact CG1-O 3.31Å; V125-P169 HydrophobicContact CG2-CG 4.3Å; V125-P169 VanDerWaalsContact CG2-O 3.26Å; V125-P169 WeakPolarHBondContact CG2-O 3.48Å; L132-P169 HydrophobicContact CB-CB 4.48Å; L132-P169 HydrophobicContact CB-CG 3.5Å; L132-P169 HydrophobicContact CD1-CB 4.07Å; L132-P169 HydrophobicContact CD1-CG 3.85Å; L132-P169 HydrophobicContact CG-CG 4.39Å; L140-P169 HydrophobicContact CD1-CB 4.03Å; L140-P169 HydrophobicContact CD1-CG 3.96Å; P169-A176 HydrophobicContact CB-CB 4.41Å; P169-V177 CarbonylContact C-O 3.6Å; P169-V177 WeakPolarHBondContact CA-O 3.11Å; P169-V178 HydrophobicContact CB-CB 4.29Å
170A95Very high83.6Confident16 Ų1636 Ų3613%0.13220%0.204CC..EExtended strand (participates in β ladder)trans-94.4140.9170.100000111.3A176 V177 P220 V222A170-A176 CarbonylContact O-C 3.54Å; A170-A176 WeakPolarHBondContact O-CA 3.32Å; A170-V177 PolarHBondContact N-O 3.36Å; A170-V177 PolarHBondContact O-N 3.49Å; A170-P220 WeakPolarHBondContact CB-O 3.39Å; A170-V222 HydrophobicContact CB-CG2 3.94Å
171T96.2Very high83.9Confident52 Ų5230.8 Ų30.832%0.31917%0.166SC..EExtended strand (participates in β ladder)trans-106133.5-177.757.90000111.8V125 L132 A175 M190V125-T171 HydrophobicContact CG1-CG2 4.07Å; L132-T171 HydrophobicContact CD1-CG2 3.59Å; T171-A175 CarbonylContact C-O 3.57Å; T171-A175 WeakPolarHBondContact CA-O 3.49Å; T171-M190 HydrophobicContact CG2-CE 3.88Å; T171-M190 HydrophobicContact CG2-SD 4.12Å
172A94.7Very high84.4Confident16 Ų1628.2 Ų28.213%0.13215%0.152CC..EExtended strand (participates in β ladder)trans-152.1128.417300000111.6G174 A175 V222 L241A172-G174 VanDerWaalsContact C-N 3.27Å; A172-G174 PolarHBondContact O-N 2.79Å; A172-A175 PolarHBondContact N-O 2.77Å; A172-A175 PolarHBondContact O-N 3.12Å; A172-V222 HydrophobicContact CB-CB 4.22Å; A172-V222 HydrophobicContact CB-CG1 3.66Å; A172-V222 HydrophobicContact CB-CG2 4.48Å; A172-L241 HydrophobicContact CB-CD1 4.4Å; A172-L241 HydrophobicContact CB-CD2 3.77Å
173F92.7Very high85.2Confident190 Ų19026.4 Ų26.483%0.83314%0.14SC*.THydrogen-bonded Turntrans49.541.5174.8-49.7-77.3000114.4A175 L241F173-A175 VanDerWaalsContact C-N 3.33Å; F173-A175 PolarHBondContact O-N 3.4Å; F173-L241 HydrophobicContact CD2-CD2 3.64Å; F173-L241 HydrophobicContact CE2-CD2 3.99Å
174G93Very high86.4Confident27 Ų2726.5 Ų26.528%0.27814%0.137SC..THydrogen-bonded Turntrans78.69.6-17900000115A172 M190A172-G174 VanDerWaalsContact C-N 3.27Å; A172-G174 PolarHBondContact O-N 2.79Å; G174-M190 VanDerWaalsContact C-CG 3.44Å; G174-M190 WeakPolarHBondContact O-CB 3.26Å; G174-M190 WeakPolarHBondContact O-CG 3.26Å; G174-M190 PolarHBondContact O-N 3.03Å
175A95.9Very high87.6Confident10 Ų1020.5 Ų20.58%0.08311%0.114CC..EExtended strand (participates in β ladder)trans-111.7143.5170.900000111.4T171 A172 F173 V188 I196T171-A175 CarbonylContact C-O 3.57Å; T171-A175 WeakPolarHBondContact CA-O 3.49Å; A172-A175 PolarHBondContact N-O 2.77Å; A172-A175 PolarHBondContact O-N 3.12Å; F173-A175 VanDerWaalsContact C-N 3.33Å; F173-A175 PolarHBondContact O-N 3.4Å; A175-V188 CarbonylContact C-O 3.46Å; A175-V188 VanDerWaalsContact CA-O 3.28Å; A175-V188 WeakPolarHBondContact CA-O 3.47Å; A175-I196 HydrophobicContact CB-CD1 3.76Å
176A96.7Very high88.9Confident0 Ų020.3 Ų20.30%011%0.112CC..EExtended strand (participates in β ladder)trans-94.9131.1162.400000109.1L132 L140 P169 A170 A187 V188 M190L132-A176 HydrophobicContact CD1-CB 3.86Å; L140-A176 HydrophobicContact CD2-CB 4.35Å; P169-A176 HydrophobicContact CB-CB 4.41Å; A170-A176 CarbonylContact O-C 3.54Å; A170-A176 WeakPolarHBondContact O-CA 3.32Å; A176-A187 CarbonylContact O-C 3.56Å; A176-A187 WeakPolarHBondContact O-CA 3.37Å; A176-V188 PolarHBondContact N-O 3.03Å; A176-V188 PolarHBondContact O-N 3.08Å; A176-M190 HydrophobicContact CB-SD 3.65Å
177V96Very high90.1Very high0 Ų019.5 Ų19.50%011%0.108CC..EExtended strand (participates in β ladder)trans-113.3125.5175.4-173.20000108.3P169 A170 V185 S186 A187 W197 P220 V222 V227 L241P169-V177 CarbonylContact C-O 3.6Å; P169-V177 WeakPolarHBondContact CA-O 3.11Å; A170-V177 PolarHBondContact N-O 3.36Å; A170-V177 PolarHBondContact O-N 3.49Å; V177-V185 HydrophobicContact CG1-CG1 3.69Å; V177-S186 WeakPolarHBondContact CA-O 3.4Å; V177-A187 HydrophobicContact CG2-CB 4.33Å; V177-W197 HydrophobicContact CG1-CH2 4.36Å; V177-P220 HydrophobicContact CG1-CB 4.14Å; V177-P220 HydrophobicContact CG1-CG 4.25Å; V177-V222 HydrophobicContact CG2-CG2 4.33Å; V177-V227 HydrophobicContact CG1-CG1 3.66Å; V177-V227 HydrophobicContact CG1-CG2 4.04Å; V177-V227 HydrophobicContact CG2-CG2 4.19Å; V177-L241 HydrophobicContact CG2-CD1 3.55Å
178V93.1Very high90.7Very high1 Ų119.4 Ų19.41%0.00611%0.107CC..EExtended strand (participates in β ladder)trans-137.3136.9-17364.20000110.1L140 L156 P169 V185 S186L140-V178 HydrophobicContact CD2-CG1 4.22Å; L156-V178 HydrophobicContact CD1-CB 4.46Å; L156-V178 HydrophobicContact CD1-CG1 3.61Å; L156-V178 HydrophobicContact CD1-CG2 3.98Å; L156-V178 HydrophobicContact CD2-CG1 4.03Å; L156-V178 HydrophobicContact CG-CG1 4.5Å; P169-V178 HydrophobicContact CB-CB 4.29Å; V178-V185 WeakPolarHBondContact O-CA 3.23Å; V178-S186 PolarHBondContact N-O 3.14Å; V178-S186 PolarHBondContact O-N 3.39Å
179G88.6Confident91.1Very high0 Ų022 Ų220%012%0.121CC..EExtended strand (participates in β ladder)trans-80144.1166.800000110.3S167 V216S167-G179 WeakPolarHBondContact CB-O 3.42Å; G179-V216 VanDerWaalsContact CA-CG1 3.5Å
180G79.8Confident91.1Very high6 Ų622.1 Ų22.16%0.06212%0.121CC..EExtended strand (participates in β ladder)trans-124.9152.7174.900000112.6N182 G183 R184 V216G180-N182 PolarHBondContact O-N 3.07Å; G180-G183 PolarHBondContact O-N 2.9Å; G180-G183 VanDerWaalsContact O-N 3.12Å; G180-R184 PolarHBondContact N-O 2.96Å; G180-V216 WeakPolarHBondContact O-CB 3.5Å; G180-V216 WeakPolarHBondContact O-CG2 3.18Å; G180-V216 PolarHBondContact O-N 3.14Å
181D73.8Confident91Very high12 Ų1228.4 Ų28.46%0.06415%0.148CC..THydrogen-bonded Turntrans-62.1-10.2-175.3-47.9-13.1000113.4M158 P159 S162 G183 D215M158-D181 HydrophobicContact CG-CB 4.41Å; P159-D181 HydrophobicContact CG-CB 4.1Å; S162-D181 WeakPolarHBondContact CB-OD2 3.4Å; D181-G183 VanDerWaalsContact C-N 3.31Å; D181-G183 PolarHBondContact O-N 3.19Å; D181-D215 HydrophobicContact CB-CB 4.29Å
182N76.3Confident90.9Very high21 Ų2131.2 Ų31.211%0.11216%0.158CC..THydrogen-bonded Turntrans-89.111.7177.863.916000114.1L156 D157 G180 R184 R200L156-N182 PolarHBondContact O-ND2 2.89Å; D157-N182 WeakPolarHBondContact O-CB 2.96Å; D157-N182 PolarHBondContact O-ND2 2.93Å; G180-N182 PolarHBondContact O-N 3.07Å; N182-R184 PolarHBondContact ND2-NH1 2.84Å; N182-R184 WeakPolarHBondContact OD1-CB 3.25Å; N182-R184 WeakPolarHBondContact OD1-CG 3.27Å; N182-R184 PolarHBondContact OD1-N 2.82Å; N182-R184 VanDerWaalsContact OD1-N 3.15Å; N182-R200 PolarHBondContact O-NH1 3.06Å
183G82.1Confident90.9Very high0 Ų031 Ų310%016%0.157CC..THydrogen-bonded Turntrans77.221.7-179.500000113.9G180 D181 I201 S202 S214G180-G183 PolarHBondContact O-N 2.9Å; G180-G183 VanDerWaalsContact O-N 3.12Å; D181-G183 VanDerWaalsContact C-N 3.31Å; D181-G183 PolarHBondContact O-N 3.19Å; G183-I201 PolarHBondContact O-N 3.31Å; G183-S202 PolarHBondContact O-N 2.8Å; G183-S214 WeakPolarHBondContact CA-O 3.19Å; G183-S214 WeakPolarHBondContact CA-OG 3.21Å; G183-S214 PolarHBondContact N-O 2.9Å
184R88.8Confident91.1Very high52 Ų5226.9 Ų26.920%0.19614%0.14CC..EExtended strand (participates in β ladder)trans-118.8152.3-178.6-52.7177.4176.4131.9-12.4111.1D157 G180 N182 Q198 Q199 R200D157-R184 IonicContact OD2-CZ 3.9Å; D157-R184 IonicContact OD2-NH1 3.25Å; D157-R184 PolarHBondContact OD2-NH1 2.78Å; G180-R184 PolarHBondContact N-O 2.96Å; N182-R184 PolarHBondContact ND2-NH1 2.84Å; N182-R184 WeakPolarHBondContact OD1-CB 3.25Å; N182-R184 WeakPolarHBondContact OD1-CG 3.27Å; N182-R184 PolarHBondContact OD1-N 2.82Å; N182-R184 VanDerWaalsContact OD1-N 3.15Å; R184-Q198 HydrophobicContact CB-CG 4.11Å; R184-Q199 CarbonylContact C-O 3.52Å; R184-Q199 WeakPolarHBondContact CA-O 3.34Å; R184-Q199 WeakPolarHBondContact CB-O 3.23Å; R184-R200 HydrophobicContact CG-CB 4.23Å; R184-R200 VanDerWaalsContact NH2-NH2 3.18Å
185V92.9Very high91.2Very high0 Ų029.3 Ų29.30%015%0.145CC..EExtended strand (participates in β ladder)trans-110.4137.5166.4-177.10000107V177 V178 W197 Q198 Q199 I201 V216 V227 A229 L239V177-V185 HydrophobicContact CG1-CG1 3.69Å; V178-V185 WeakPolarHBondContact O-CA 3.23Å; V185-W197 HydrophobicContact CB-CH2 4.44Å; V185-W197 HydrophobicContact CB-CZ3 4.14Å; V185-W197 HydrophobicContact CG1-CH2 3.82Å; V185-W197 HydrophobicContact CG1-CZ3 3.97Å; V185-W197 VanDerWaalsContact O-CZ3 3.26Å; V185-W197 WeakPolarHBondContact O-CZ3 3.29Å; V185-Q198 CarbonylContact O-C 3.18Å; V185-Q198 WeakPolarHBondContact O-CA 3.29Å; V185-Q199 PolarHBondContact N-O 3.16Å; V185-Q199 PolarHBondContact O-N 3.4Å; V185-I201 HydrophobicContact CG2-CD1 3.61Å; V185-I201 HydrophobicContact CG2-CG1 4.06Å; V185-I201 HydrophobicContact CG2-CG2 4.16Å; V185-V216 HydrophobicContact CG2-CG1 4.36Å; V185-V227 HydrophobicContact CG1-CG1 4.42Å; V185-A229 HydrophobicContact CG2-CB 3.64Å; V185-L239 HydrophobicContact CB-CD1 3.86Å; V185-L239 HydrophobicContact CG1-CD1 4.04Å; V185-L239 HydrophobicContact CG2-CD1 4.06Å
186S94.2Very high91.2Very high4 Ų432.8 Ų32.83%0.02816%0.161CC..EExtended strand (participates in β ladder)trans-125.4139.1-178.9-64.20000110V177 V178 W197 Q198V177-S186 WeakPolarHBondContact CA-O 3.4Å; V178-S186 PolarHBondContact N-O 3.14Å; V178-S186 PolarHBondContact O-N 3.39Å; S186-W197 WeakPolarHBondContact CA-O 3.43Å; S186-Q198 WeakPolarHBondContact OG-CG 3.46Å; S186-Q198 PolarHBondContact OG-OE1 2.91Å
187A96.5Very high91.2Very high0 Ų033.9 Ų33.90%017%0.165CC..EExtended strand (participates in β ladder)trans-109133.2165.800000109.9A176 V177 I196 W197A176-A187 CarbonylContact O-C 3.56Å; A176-A187 WeakPolarHBondContact O-CA 3.37Å; V177-A187 HydrophobicContact CG2-CB 4.33Å; A187-I196 HydrophobicContact CB-CB 4.27Å; A187-I196 WeakPolarHBondContact O-CB 3.49Å; A187-I196 PolarHBondContact O-N 3.3Å; A187-W197 HydrophobicContact CB-CD2 3.79Å; A187-W197 HydrophobicContact CB-CE3 4.46Å; A187-W197 HydrophobicContact CB-CG 4.19Å; A187-W197 HydrophobicContact CB-CH2 4.22Å; A187-W197 HydrophobicContact CB-CZ2 3.52Å; A187-W197 PolarHBondContact N-O 2.57Å; A187-W197 PolarHBondContact O-N 2.75Å
188V96.4Very high91.1Very high0 Ų037.6 Ų37.60%018%0.183CC..EExtended strand (participates in β ladder)trans-129.7136.6-175.3179.20000108.8L140 V154 A175 A176 M190 G193 Q194 M195L140-V188 HydrophobicContact CD2-CB 4.37Å; L140-V188 HydrophobicContact CD2-CG2 4.34Å; V154-V188 HydrophobicContact CG2-CG1 4.27Å; A175-V188 CarbonylContact C-O 3.46Å; A175-V188 VanDerWaalsContact CA-O 3.28Å; A175-V188 WeakPolarHBondContact CA-O 3.47Å; A176-V188 PolarHBondContact N-O 3.03Å; A176-V188 PolarHBondContact O-N 3.08Å; V188-M190 PolarHBondContact O-N 3.25Å; V188-G193 WeakPolarHBondContact CG1-O 3.16Å; V188-Q194 CarbonylContact C-O 3.53Å; V188-Q194 WeakPolarHBondContact CA-O 3.36Å; V188-M195 HydrophobicContact CG2-CE 3.75Å; V188-M195 HydrophobicContact CG2-SD 3.88Å
189L96.6Very high91.2Very high54 Ų5440.3 Ų40.328%0.28320%0.196SC..EExtended strand (participates in β ladder)trans-67.6124.9174.8-171.972.3000110.2E191 Q192 G193 Q194 I196L189-E191 VanDerWaalsContact C-N 3.33Å; L189-E191 PolarHBondContact O-N 3.08Å; L189-Q192 PolarHBondContact O-N 2.87Å; L189-G193 WeakPolarHBondContact O-CA 3.5Å; L189-G193 PolarHBondContact O-N 3.47Å; L189-Q194 HydrophobicContact CB-CB 4.31Å; L189-Q194 PolarHBondContact N-O 3.23Å; L189-I196 HydrophobicContact CB-CD1 4.41Å; L189-I196 HydrophobicContact CB-CG1 4.39Å
190M94.7Very high91.3Very high4 Ų445.2 Ų45.22%0.0221%0.214CC..THydrogen-bonded Turntrans-57.9-41.5-175.6-74.6-71.5-79.800113.2L130 L132 W152 T171 G174 A176 V188 Q192L130-M190 HydrophobicContact CB-CE 4.39Å; L130-M190 HydrophobicContact CD1-CB 4.3Å; L130-M190 HydrophobicContact CD1-CE 4.1Å; L130-M190 WeakPolarHBondContact CD1-O 3.39Å; L132-M190 HydrophobicContact CD1-CE 3.71Å; L132-M190 HydrophobicContact CD1-SD 3.51Å; L132-M190 VanDerWaalsContact CD1-SD 3.51Å; L132-M190 HydrophobicContact CD2-CE 3.88Å; L132-M190 HydrophobicContact CD2-SD 3.7Å; L132-M190 HydrophobicContact CG-CE 3.95Å; L132-M190 HydrophobicContact CG-SD 4.07Å; W152-M190 PolarHBondContact NE1-O 2.87Å; T171-M190 HydrophobicContact CG2-CE 3.88Å; T171-M190 HydrophobicContact CG2-SD 4.12Å; G174-M190 VanDerWaalsContact C-CG 3.44Å; G174-M190 WeakPolarHBondContact O-CB 3.26Å; G174-M190 WeakPolarHBondContact O-CG 3.26Å; G174-M190 PolarHBondContact O-N 3.03Å; A176-M190 HydrophobicContact CB-SD 3.65Å; V188-M190 PolarHBondContact O-N 3.25Å; M190-Q192 VanDerWaalsContact C-N 3.32Å; M190-Q192 PolarHBondContact O-N 3Å
191E92.3Very high91.6Very high147 Ų14745.6 Ų45.669%0.68721%0.214SC*.THydrogen-bonded Turntrans-61.6-38.7-172.5-65.1-175.8176.900113.3L189L189-E191 VanDerWaalsContact C-N 3.33Å; L189-E191 PolarHBondContact O-N 3.08Å
192Q93.9Very high91.9Very high112 Ų11245.1 Ų45.152%0.52321%0.212SC..THydrogen-bonded Turntrans-133.2-3.3-166.7-61.8-175.613.300114.4W152 L189 M190 Q194W152-Q192 VanDerWaalsContact CD1-C 3.47Å; L189-Q192 PolarHBondContact O-N 2.87Å; M190-Q192 VanDerWaalsContact C-N 3.32Å; M190-Q192 PolarHBondContact O-N 3Å; Q192-Q194 VanDerWaalsContact C-N 3.3Å; Q192-Q194 HydrophobicContact CB-CG 4.02Å; Q192-Q194 PolarHBondContact O-N 2.83Å
193G95.2Very high91.5Very high11 Ų1150.7 Ų50.711%0.11324%0.238CC..THydrogen-bonded Turntrans7224.1-176.200000113.2V154 V188 L189V154-G193 WeakPolarHBondContact CG2-O 3.38Å; V188-G193 WeakPolarHBondContact CG1-O 3.16Å; L189-G193 WeakPolarHBondContact O-CA 3.5Å; L189-G193 PolarHBondContact O-N 3.47Å
194Q96.1Very high90.5Very high104 Ų10453.3 Ų53.349%0.48626%0.259SS..EExtended strand (participates in β ladder)trans-82.5128.8-179-69.9177.8-1200111.2V188 L189 Q192 I196V188-Q194 CarbonylContact C-O 3.53Å; V188-Q194 WeakPolarHBondContact CA-O 3.36Å; L189-Q194 HydrophobicContact CB-CB 4.31Å; L189-Q194 PolarHBondContact N-O 3.23Å; Q192-Q194 VanDerWaalsContact C-N 3.3Å; Q192-Q194 HydrophobicContact CB-CG 4.02Å; Q192-Q194 PolarHBondContact O-N 2.83Å; Q194-I196 PolarHBondContact O-N 3.1Å
195M95.7Very high88.8Confident78 Ų7855.4 Ų55.438%0.38428%0.278SS..EExtended strand (participates in β ladder)trans-63.3123.6176.5-16564.354.300110.8V154 L156 V188 Q198V154-M195 HydrophobicContact CG1-CE 3.88Å; L156-M195 HydrophobicContact CD2-CE 4.35Å; V188-M195 HydrophobicContact CG2-CE 3.75Å; V188-M195 HydrophobicContact CG2-SD 3.88Å; M195-Q198 HydrophobicContact SD-CB 4.41Å
196I96.3Very high87.1Confident83 Ų8356.6 Ų56.643%0.42629%0.291SS..EExtended strand (participates in β ladder)trans-87.9-53.1174.1-54.9176.5000109A175 A187 L189 Q194A175-I196 HydrophobicContact CB-CD1 3.76Å; A187-I196 HydrophobicContact CB-CB 4.27Å; A187-I196 WeakPolarHBondContact O-CB 3.49Å; A187-I196 PolarHBondContact O-N 3.3Å; L189-I196 HydrophobicContact CB-CD1 4.41Å; L189-I196 HydrophobicContact CB-CG1 4.39Å; Q194-I196 PolarHBondContact O-N 3.1Å
197W96.5Very high84.9Confident22 Ų2261.5 Ų61.58%0.08333%0.325CS..EExtended strand (participates in β ladder)trans-156.6161.7176.655.8-103.5000110.6V177 V185 S186 A187 Q199 V227 L239 L241 G244V177-W197 HydrophobicContact CG1-CH2 4.36Å; V185-W197 HydrophobicContact CB-CH2 4.44Å; V185-W197 HydrophobicContact CB-CZ3 4.14Å; V185-W197 HydrophobicContact CG1-CH2 3.82Å; V185-W197 HydrophobicContact CG1-CZ3 3.97Å; V185-W197 VanDerWaalsContact O-CZ3 3.26Å; V185-W197 WeakPolarHBondContact O-CZ3 3.29Å; S186-W197 WeakPolarHBondContact CA-O 3.43Å; A187-W197 HydrophobicContact CB-CD2 3.79Å; A187-W197 HydrophobicContact CB-CE3 4.46Å; A187-W197 HydrophobicContact CB-CG 4.19Å; A187-W197 HydrophobicContact CB-CH2 4.22Å; A187-W197 HydrophobicContact CB-CZ2 3.52Å; A187-W197 PolarHBondContact N-O 2.57Å; A187-W197 PolarHBondContact O-N 2.75Å; W197-Q199 HydrophobicContact CE3-CB 4.11Å; W197-Q199 HydrophobicContact CZ3-CB 4.03Å; W197-V227 HydrophobicContact CZ2-CG2 4.49Å; W197-L239 HydrophobicContact CH2-CD1 4.06Å; W197-L239 HydrophobicContact CZ3-CD1 4.24Å; W197-L241 PolarHBondContact NE1-O 2.95Å; W197-G244 VanDerWaalsContact CD2-CA 3.46Å
198Q94.4Very high82.8Confident79 Ų7964.7 Ų64.737%0.36934%0.344SS..EExtended strand (participates in β ladder)trans-141.4121.2174.5-179.8167.2-46.900108.9R184 V185 S186 M195R184-Q198 HydrophobicContact CB-CG 4.11Å; V185-Q198 CarbonylContact O-C 3.18Å; V185-Q198 WeakPolarHBondContact O-CA 3.29Å; S186-Q198 WeakPolarHBondContact OG-CG 3.46Å; S186-Q198 PolarHBondContact OG-OE1 2.91Å; M195-Q198 HydrophobicContact SD-CB 4.41Å
199Q94Very high80.7Confident58 Ų5871.3 Ų71.327%0.27138%0.375SS..EExtended strand (participates in β ladder)trans-117.7128.9-176178.760.246.600110.2R184 V185 W197 I201 L239 G244 I246R184-Q199 CarbonylContact C-O 3.52Å; R184-Q199 WeakPolarHBondContact CA-O 3.34Å; R184-Q199 WeakPolarHBondContact CB-O 3.23Å; V185-Q199 PolarHBondContact N-O 3.16Å; V185-Q199 PolarHBondContact O-N 3.4Å; W197-Q199 HydrophobicContact CE3-CB 4.11Å; W197-Q199 HydrophobicContact CZ3-CB 4.03Å; Q199-I201 HydrophobicContact CG-CG2 4.24Å; Q199-L239 HydrophobicContact CG-CD2 3.96Å; Q199-G244 WeakPolarHBondContact CB-O 3.49Å; Q199-G244 WeakPolarHBondContact CG-O 3.17Å; Q199-G244 PolarHBondContact OE1-O 2.93Å; Q199-I246 HydrophobicContact CG-CG1 4.16Å
200R90.4Very high78.5Confident102 Ų10274.4 Ų74.439%0.38539%0.391SS..EExtended strand (participates in β ladder)trans-79123170.1-176.8177.6-64-68.83.3109.8N182 R184 S202N182-R200 PolarHBondContact O-NH1 3.06Å; R184-R200 HydrophobicContact CG-CB 4.23Å; R184-R200 VanDerWaalsContact NH2-NH2 3.18Å; R200-S202 WeakPolarHBondContact CD-O 3.48Å; R200-S202 WeakPolarHBondContact CG-O 3.47Å
201I87.3Confident76.3Confident14 Ų1477.9 Ų77.97%0.07241%0.41CS..  trans-110.7-17.9177.562.4162.7000112.7G183 V185 Q199 V216 A229 A231 T237 L239G183-I201 PolarHBondContact O-N 3.31Å; V185-I201 HydrophobicContact CG2-CD1 3.61Å; V185-I201 HydrophobicContact CG2-CG1 4.06Å; V185-I201 HydrophobicContact CG2-CG2 4.16Å; Q199-I201 HydrophobicContact CG-CG2 4.24Å; I201-V216 HydrophobicContact CD1-CG1 4.22Å; I201-V216 HydrophobicContact CD1-CG2 4.02Å; I201-V216 HydrophobicContact CG1-CG2 4.21Å; I201-A229 HydrophobicContact CD1-CB 4.09Å; I201-A231 HydrophobicContact CD1-CB 3.94Å; I201-A231 HydrophobicContact CG1-CB 4.13Å; I201-T237 HydrophobicContact CB-CG2 4.41Å; I201-T237 HydrophobicContact CG2-CG2 3.89Å; I201-L239 HydrophobicContact CG2-CD1 4.1Å; I201-L239 HydrophobicContact CG2-CD2 4.03Å
202S79.8Confident74.3Confident3 Ų378 Ų782%0.02140%0.404CS..  trans-136.1153.2176.31740000112.3G183 R200 S214 N233G183-S202 PolarHBondContact O-N 2.8Å; R200-S202 WeakPolarHBondContact CD-O 3.48Å; R200-S202 WeakPolarHBondContact CG-O 3.47Å; S202-S214 VanDerWaalsContact CB-OG 3.3Å; S202-S214 WeakPolarHBondContact CB-OG 3.49Å; S202-S214 PolarHBondContact OG-OG 3.01Å; S202-N233 PolarHBondContact OG-ND2 3.46Å; S202-N233 PolarHBondContact OG-OD1 3.39Å
203Q68.4Low72.2Confident137 Ų13773.6 Ų73.664%0.6438%0.384SS*.  trans-108.3134167.8-64.2-171.113.900108.7T205Q203-T205 HydrophobicContact CB-CG2 4.02Å; Q203-T205 PolarHBondContact O-N 3.26Å
204A61Low70.1Confident55 Ų5573.1 Ų73.146%0.45538%0.379SS..  trans-62.694.4163.700000109.5R212A204-R212 HydrophobicContact CB-CB 4.2Å; A204-R212 WeakPolarHBondContact CB-O 3.48Å
205T53.2Low68Low96 Ų9668.2 Ų68.259%0.58936%0.356SS*.  trans-107.7109.8179.552.50000109.6Q203 D211Q203-T205 HydrophobicContact CB-CG2 4.02Å; Q203-T205 PolarHBondContact O-N 3.26Å; T205-D211 CarbonylContact C-O 3.49Å
206G56Low66Low26 Ų2664.5 Ų64.527%0.26834%0.338SS..  trans179.3146.3-174.500000114.9R212G206-R212 VanDerWaalsContact O-CG 3.29Å; G206-R212 WeakPolarHBondContact O-CG 2.99Å; G206-R212 PolarHBondContact O-NE 2.82Å
207S47.5Very low64.5Low107 Ų10762 Ų6275%0.74833%0.325SS*.SBendtrans-84-29.4175.939.90000112.5D211S207-D211 PolarHBondContact N-OD2 2.9Å; S207-D211 PolarHBondContact OG-OD2 2.78Å; S207-D211 VanDerWaalsContact OG-OD2 3.11Å
208T52.5Low63.5Low66 Ų6661.6 Ų61.641%0.40533%0.325SS..SBendtrans-103161.8175.569.30000110.9I210 D211 R212T208-I210 PolarHBondContact O-N 3.3Å; T208-D211 WeakPolarHBondContact CB-OD2 3.48Å; T208-D211 WeakPolarHBondContact CG2-OD2 3.33Å; T208-D211 PolarHBondContact N-OD2 3.32Å; T208-D211 PolarHBondContact O-N 2.75Å; T208-D211 PolarHBondContact OG1-N 3.18Å; T208-D211 PolarHBondContact OG1-OD1 2.78Å; T208-D211 PolarHBondContact OG1-OD2 3.31Å; T208-R212 WeakPolarHBondContact O-CG 3.12Å; T208-R212 PolarHBondContact O-N 2.87Å
209E52.1Low63.1Low139 Ų13959.5 Ų59.565%0.6532%0.318SS*.THydrogen-bonded Turntrans-59.1-32.8174.1-67.5178.8168.600111.7L161 R212 L213L161-E209 HydrophobicContact CD2-CB 4.31Å; E209-R212 PolarHBondContact O-N 2.81Å; E209-L213 PolarHBondContact O-N 3.25Å
210I51.5Low63Low120 Ų12056.9 Ų56.962%0.61531%0.306SS*.THydrogen-bonded Turntrans-68.7-45.5175.6-59.8173000110.5T208 R212 L213T208-I210 PolarHBondContact O-N 3.3Å; I210-R212 PolarHBondContact O-N 2.82Å; I210-L213 HydrophobicContact CG2-CD1 4.3Å; I210-L213 WeakPolarHBondContact O-CB 3.24Å; I210-L213 WeakPolarHBondContact O-CD1 3.27Å; I210-L213 WeakPolarHBondContact O-CG 3.22Å; I210-L213 PolarHBondContact O-N 3.08Å; I210-L213 VanDerWaalsContact O-N 3.16Å
211D47.3Very low63.2Low77 Ų7753.8 Ų53.841%0.41230%0.298SS..THydrogen-bonded Turntrans-63.5-25.3176.5-57.5-34.6000111.6T205 S207 T208 L213T205-D211 CarbonylContact C-O 3.49Å; S207-D211 PolarHBondContact N-OD2 2.9Å; S207-D211 PolarHBondContact OG-OD2 2.78Å; S207-D211 VanDerWaalsContact OG-OD2 3.11Å; T208-D211 WeakPolarHBondContact CB-OD2 3.48Å; T208-D211 WeakPolarHBondContact CG2-OD2 3.33Å; T208-D211 PolarHBondContact N-OD2 3.32Å; T208-D211 PolarHBondContact O-N 2.75Å; T208-D211 PolarHBondContact OG1-N 3.18Å; T208-D211 PolarHBondContact OG1-OD1 2.78Å; T208-D211 PolarHBondContact OG1-OD2 3.31Å; D211-L213 VanDerWaalsContact C-N 3.32Å
212R50.8Low63.6Low149 Ų14954.9 Ų54.956%0.56231%0.305SS*.THydrogen-bonded Turntrans-85.10.1179.9-72.8-177.9-172.3179.55.2113.9A204 G206 T208 E209 I210 S214A204-R212 HydrophobicContact CB-CB 4.2Å; A204-R212 WeakPolarHBondContact CB-O 3.48Å; G206-R212 VanDerWaalsContact O-CG 3.29Å; G206-R212 WeakPolarHBondContact O-CG 2.99Å; G206-R212 PolarHBondContact O-NE 2.82Å; T208-R212 WeakPolarHBondContact O-CG 3.12Å; T208-R212 PolarHBondContact O-N 2.87Å; E209-R212 PolarHBondContact O-N 2.81Å; I210-R212 PolarHBondContact O-N 2.82Å; R212-S214 PolarHBondContact O-N 2.84Å
213L51Low64.3Low19 Ų1956.4 Ų56.410%0.09931%0.314CS..  trans-60.7123.5170.2-67168.8000108.4L161 L163 E209 I210 D211 Y232L161-L213 HydrophobicContact CB-CD2 4.36Å; L161-L213 HydrophobicContact CD2-CD1 4.39Å; L161-L213 HydrophobicContact CD2-CD2 3.89Å; L161-L213 HydrophobicContact CD2-CG 4.31Å; L161-L213 HydrophobicContact CG-CD2 4.01Å; L163-L213 HydrophobicContact CD1-CB 4.32Å; L163-L213 HydrophobicContact CD1-CD1 4.32Å; L163-L213 HydrophobicContact CD2-CD1 3.94Å; L163-L213 HydrophobicContact CG-CD1 4.02Å; L163-L213 HydrophobicContact CG-CD2 4.3Å; E209-L213 PolarHBondContact O-N 3.25Å; I210-L213 HydrophobicContact CG2-CD1 4.3Å; I210-L213 WeakPolarHBondContact O-CB 3.24Å; I210-L213 WeakPolarHBondContact O-CD1 3.27Å; I210-L213 WeakPolarHBondContact O-CG 3.22Å; I210-L213 PolarHBondContact O-N 3.08Å; I210-L213 VanDerWaalsContact O-N 3.16Å; D211-L213 VanDerWaalsContact C-N 3.32Å; L213-Y232 HydrophobicContact CB-CD1 4.28Å; L213-Y232 HydrophobicContact CB-CE1 4.15Å
214S50Low65.3Low2 Ų257.8 Ų57.81%0.01433%0.326CS..  trans-135.242.9-174.7173.20000108.7G183 S202 R212G183-S214 WeakPolarHBondContact CA-O 3.19Å; G183-S214 WeakPolarHBondContact CA-OG 3.21Å; G183-S214 PolarHBondContact N-O 2.9Å; S202-S214 VanDerWaalsContact CB-OG 3.3Å; S202-S214 WeakPolarHBondContact CB-OG 3.49Å; S202-S214 PolarHBondContact OG-OG 3.01Å; R212-S214 PolarHBondContact O-N 2.84Å
215D53.1Low66.9Low1 Ų156 Ų561%0.00531%0.314CS..  trans-77.4157.9-161.4-55.73000109.4L163 D181 A231 Y232L163-D215 WeakPolarHBondContact CA-OD2 3.31Å; L163-D215 HydrophobicContact CB-CB 4.41Å; L163-D215 WeakPolarHBondContact CB-OD2 3.42Å; L163-D215 HydrophobicContact CD1-CB 4.09Å; L163-D215 WeakPolarHBondContact CD1-OD2 3.18Å; L163-D215 WeakPolarHBondContact CG-OD2 3.4Å; L163-D215 PolarHBondContact N-OD2 3.38Å; D181-D215 HydrophobicContact CB-CB 4.29Å; D215-A231 CarbonylContact O-C 3.5Å; D215-Y232 VanDerWaalsContact N-CB 3.29Å; D215-Y232 WeakPolarHBondContact O-CA 3.47Å; D215-Y232 WeakPolarHBondContact O-CB 3.16Å; D215-Y232 PolarHBondContact O-N 2.82Å
216V53.6Low68.9Low0 Ų052.7 Ų52.70%029%0.293CS..  trans-119.574.6174.7-179.10000104S167 G179 G180 V185 I201 T218 L230 A231S167-V216 WeakPolarHBondContact CB-O 3.47Å; S167-V216 PolarHBondContact OG-O 2.8Å; G179-V216 VanDerWaalsContact CA-CG1 3.5Å; G180-V216 WeakPolarHBondContact O-CB 3.5Å; G180-V216 WeakPolarHBondContact O-CG2 3.18Å; G180-V216 PolarHBondContact O-N 3.14Å; V185-V216 HydrophobicContact CG2-CG1 4.36Å; I201-V216 HydrophobicContact CD1-CG1 4.22Å; I201-V216 HydrophobicContact CD1-CG2 4.02Å; I201-V216 HydrophobicContact CG1-CG2 4.21Å; V216-T218 PolarHBondContact O-N 2.89Å; V216-L230 WeakPolarHBondContact CG1-O 3.42Å; V216-A231 HydrophobicContact CG2-CB 4.16Å
217D64.6Low70.8Confident30 Ų3051.4 Ų51.416%0.1628%0.28CS..  trans-83.47-168.7-76.9-21000113.7L163 E166 S167L163-D217 WeakPolarHBondContact CB-OD2 3.47Å; E166-D217 CarbonylContact C-O 3.46Å; E166-D217 PolarHBondContact N-O 2.82Å; E166-D217 VanDerWaalsContact N-O 3.14Å; S167-D217 WeakPolarHBondContact OG-CA 3.37Å
218T74.3Confident73Confident13 Ų1346.4 Ų46.48%0.0825%0.245CC..BIsolated β-bridgetrans-111.1132.6-179.5700000110.6E166 V216 P220 L230 N256E166-T218 CarbonylContact O-C 3.54Å; V216-T218 PolarHBondContact O-N 2.89Å; T218-P220 WeakPolarHBondContact O-CD 3.29Å; T218-L230 HydrophobicContact CG2-CB 3.93Å; T218-L230 HydrophobicContact CG2-CD1 3.86Å; T218-L230 WeakPolarHBondContact OG1-CB 3.48Å; T218-L230 PolarHBondContact OG1-N 3.11Å; T218-L230 PolarHBondContact OG1-O 2.83Å; T218-N256 VanDerWaalsContact CG2-O 3.24Å; T218-N256 WeakPolarHBondContact CG2-O 3.38Å
219T86.4Confident74.9Confident36 Ų3643.3 Ų43.322%0.22123%0.226CC..  trans-49.5119.8166.2-61.70000110.5E166 A168E166-T219 PolarHBondContact O-N 3.48Å; E166-T219 PolarHBondContact O-OG1 2.81Å; A168-T219 HydrophobicContact CB-CG2 4.21Å; A168-T219 VanDerWaalsContact CB-OG1 3.26Å; A168-T219 WeakPolarHBondContact CB-OG1 3.47Å; A168-T219 PolarHBondContact N-OG1 2.75Å; A168-T219 WeakPolarHBondContact O-CG2 3.45Å
220P92.5Very high76.5Confident3 Ų336.7 Ų36.72%0.01920%0.195CC..  trans-61.3145175-22.533.7000111.3A168 A170 V177 T218 V227 F228 A229A168-P220 WeakPolarHBondContact O-CD 3.16Å; A170-P220 WeakPolarHBondContact CB-O 3.39Å; V177-P220 HydrophobicContact CG1-CB 4.14Å; V177-P220 HydrophobicContact CG1-CG 4.25Å; T218-P220 WeakPolarHBondContact O-CD 3.29Å; P220-V227 HydrophobicContact CB-CG1 3.86Å; P220-F228 CarbonylContact C-O 3.48Å; P220-F228 VanDerWaalsContact CA-O 3.29Å; P220-F228 WeakPolarHBondContact CA-O 3.43Å; P220-A229 HydrophobicContact CB-CB 4.5Å
221V94.4Very high77.9Confident37 Ų3731 Ų3122%0.22417%0.166CC..EExtended strand (participates in β ladder)trans-108.1124.1175-177.50000108.7V223 F228 F258 V260V221-V223 HydrophobicContact CG1-CG2 4.03Å; V221-F228 HydrophobicContact CB-CB 4.5Å; V221-F228 PolarHBondContact N-O 2.88Å; V221-F228 WeakPolarHBondContact O-CD2 3.44Å; V221-F228 PolarHBondContact O-N 2.89Å; V221-F258 HydrophobicContact CB-CE2 3.82Å; V221-F258 HydrophobicContact CB-CZ 3.93Å; V221-F258 HydrophobicContact CG2-CD2 4.32Å; V221-F258 HydrophobicContact CG2-CE1 4.19Å; V221-F258 HydrophobicContact CG2-CE2 3.59Å; V221-F258 HydrophobicContact CG2-CZ 3.54Å; V221-V260 HydrophobicContact CB-CG2 4.05Å; V221-V260 HydrophobicContact CG1-CB 3.96Å; V221-V260 HydrophobicContact CG1-CG2 3.74Å
222V95.2Very high78.8Confident37 Ų3732 Ų3222%0.22416%0.164CC..EExtended strand (participates in β ladder)trans-107.1117.2-177.9-170.50000110.3A170 A172 V177 V226 V227 L241A170-V222 HydrophobicContact CB-CG2 3.94Å; A172-V222 HydrophobicContact CB-CB 4.22Å; A172-V222 HydrophobicContact CB-CG1 3.66Å; A172-V222 HydrophobicContact CB-CG2 4.48Å; V177-V222 HydrophobicContact CG2-CG2 4.33Å; V222-V226 WeakPolarHBondContact CA-O 3.48Å; V222-V227 HydrophobicContact CG1-CG2 4.49Å; V222-V227 HydrophobicContact CG2-CG2 4.16Å; V222-L241 HydrophobicContact CG1-CD1 4.11Å; V222-L241 HydrophobicContact CG1-CD2 3.92Å
223V94.5Very high79.6Confident35 Ų3527.2 Ų27.221%0.21215%0.15CC..EExtended strand (participates in β ladder)trans-132.7125.1179.2-176.60000109.6V221 G225 V226 F228 V260V221-V223 HydrophobicContact CG1-CG2 4.03Å; V223-G225 PolarHBondContact O-N 3.11Å; V223-G225 VanDerWaalsContact O-N 3.11Å; V223-V226 PolarHBondContact N-O 3.5Å; V223-V226 WeakPolarHBondContact O-CB 3.39Å; V223-V226 PolarHBondContact O-N 2.91Å; V223-F228 HydrophobicContact CB-CE2 4.19Å; V223-V260 HydrophobicContact CG2-CB 4.13Å; V223-V260 HydrophobicContact CG2-CG1 3.94Å
224N90.1Very high80.5Confident165 Ų16526.3 Ų26.388%0.88215%0.146SC*.THydrogen-bonded Turntrans51.835.8173.7-62.8-30000115.1V226N224-V226 VanDerWaalsContact C-N 3.32Å
225G93.6Very high82Confident19 Ų1927.1 Ų27.120%0.19615%0.15CC..THydrogen-bonded Turntrans80.111.6-178.700000114.5V223 L241V223-G225 PolarHBondContact O-N 3.11Å; V223-G225 VanDerWaalsContact O-N 3.11Å; G225-L241 WeakPolarHBondContact O-CB 3.39Å; G225-L241 PolarHBondContact O-N 2.92Å
226V96.2Very high83.7Confident25 Ų2527.1 Ų27.115%0.15215%0.149CC..EExtended strand (participates in β ladder)trans-112.5132.6171.7-173.90000108.8V222 V223 N224 F228 A238 L239 M247V222-V226 WeakPolarHBondContact CA-O 3.48Å; V223-V226 PolarHBondContact N-O 3.5Å; V223-V226 WeakPolarHBondContact O-CB 3.39Å; V223-V226 PolarHBondContact O-N 2.91Å; N224-V226 VanDerWaalsContact C-N 3.32Å; V226-F228 HydrophobicContact CB-CE2 3.91Å; V226-F228 HydrophobicContact CB-CZ 4Å; V226-F228 HydrophobicContact CG1-CD2 4.44Å; V226-F228 HydrophobicContact CG1-CE1 4.05Å; V226-F228 HydrophobicContact CG1-CE2 3.75Å; V226-F228 HydrophobicContact CG1-CZ 3.5Å; V226-F228 VanDerWaalsContact CG1-CZ 3.5Å; V226-A238 HydrophobicContact CG1-CB 3.9Å; V226-L239 CarbonylContact C-O 3.58Å; V226-L239 WeakPolarHBondContact CA-O 3.31Å; V226-M247 HydrophobicContact CB-SD 4.28Å; V226-M247 HydrophobicContact CG1-SD 3.73Å; V226-M247 HydrophobicContact CG2-CE 4.02Å; V226-M247 HydrophobicContact CG2-SD 3.65Å
227V96.3Very high85.6Confident0 Ų027.1 Ų27.10%015%0.15CC..EExtended strand (participates in β ladder)trans-97.2123.9172.6178.80000108.1V177 V185 W197 P220 V222 A238 L239 L241V177-V227 HydrophobicContact CG1-CG1 3.66Å; V177-V227 HydrophobicContact CG1-CG2 4.04Å; V177-V227 HydrophobicContact CG2-CG2 4.19Å; V185-V227 HydrophobicContact CG1-CG1 4.42Å; W197-V227 HydrophobicContact CZ2-CG2 4.49Å; P220-V227 HydrophobicContact CB-CG1 3.86Å; V222-V227 HydrophobicContact CG1-CG2 4.49Å; V222-V227 HydrophobicContact CG2-CG2 4.16Å; V227-A238 CarbonylContact O-C 3.56Å; V227-A238 WeakPolarHBondContact O-CA 3.44Å; V227-L239 HydrophobicContact CB-CB 4.22Å; V227-L239 PolarHBondContact N-O 2.89Å; V227-L239 PolarHBondContact O-N 3.21Å; V227-L241 HydrophobicContact CG2-CB 4.09Å; V227-L241 HydrophobicContact CG2-CD1 3.52Å; V227-L241 HydrophobicContact CG2-CG 4.41Å
228F94.4Very high87.1Confident2 Ų225.7 Ų25.71%0.00914%0.142CC..EExtended strand (participates in β ladder)trans-99.1130.4167.4-58.9-85.3000108.1P220 V221 V223 V226 T237 A238 W248 F258 V260 I265 I279P220-F228 CarbonylContact C-O 3.48Å; P220-F228 VanDerWaalsContact CA-O 3.29Å; P220-F228 WeakPolarHBondContact CA-O 3.43Å; V221-F228 HydrophobicContact CB-CB 4.5Å; V221-F228 PolarHBondContact N-O 2.88Å; V221-F228 WeakPolarHBondContact O-CD2 3.44Å; V221-F228 PolarHBondContact O-N 2.89Å; V223-F228 HydrophobicContact CB-CE2 4.19Å; V226-F228 HydrophobicContact CB-CE2 3.91Å; V226-F228 HydrophobicContact CB-CZ 4Å; V226-F228 HydrophobicContact CG1-CD2 4.44Å; V226-F228 HydrophobicContact CG1-CE1 4.05Å; V226-F228 HydrophobicContact CG1-CE2 3.75Å; V226-F228 HydrophobicContact CG1-CZ 3.5Å; V226-F228 VanDerWaalsContact CG1-CZ 3.5Å; F228-T237 WeakPolarHBondContact CA-O 3.47Å; F228-A238 HydrophobicContact CD1-CB 3.96Å; F228-A238 HydrophobicContact CE1-CB 3.7Å; F228-W248 HydrophobicContact CD1-CZ2 4.1Å; F228-W248 AromaticContact CE1-CZ2 3.8Å; F228-W248 HydrophobicContact CE1-CZ2 3.8Å; F228-F258 HydrophobicContact CB-CE2 3.58Å; F228-F258 HydrophobicContact CB-CZ 3.89Å; F228-F258 WeakPolarHBondContact O-CZ 3.36Å; F228-V260 HydrophobicContact CB-CG2 4.45Å; F228-V260 HydrophobicContact CD2-CG2 4.1Å; F228-V260 HydrophobicContact CG-CG2 4.24Å; F228-I265 HydrophobicContact CD1-CD1 3.82Å; F228-I265 HydrophobicContact CE1-CD1 4.05Å; F228-I279 HydrophobicContact CE1-CD1 4.44Å; F228-I279 HydrophobicContact CE1-CG1 3.65Å; F228-I279 HydrophobicContact CE2-CD1 3.86Å; F228-I279 HydrophobicContact CE2-CG1 3.98Å; F228-I279 HydrophobicContact CZ-CD1 3.58Å; F228-I279 HydrophobicContact CZ-CG1 3.19Å
229A91.9Very high88.2Confident0 Ų025.1 Ų25.10%014%0.138CC..EExtended strand (participates in β ladder)trans-142.8145.5177.700000110.3V185 I201 P220 T237V185-A229 HydrophobicContact CG2-CB 3.64Å; I201-A229 HydrophobicContact CD1-CB 4.09Å; P220-A229 HydrophobicContact CB-CB 4.5Å; A229-T237 PolarHBondContact N-O 3.01Å; A229-T237 PolarHBondContact O-N 3.27Å
230L86.1Confident88.7Confident1 Ų126 Ų261%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-108.2127.3174.3-64165.3000109.9V216 T218 L236 V255 F258V216-L230 WeakPolarHBondContact CG1-O 3.42Å; T218-L230 HydrophobicContact CG2-CB 3.93Å; T218-L230 HydrophobicContact CG2-CD1 3.86Å; T218-L230 WeakPolarHBondContact OG1-CB 3.48Å; T218-L230 PolarHBondContact OG1-N 3.11Å; T218-L230 PolarHBondContact OG1-O 2.83Å; L230-L236 HydrophobicContact CD2-CB 3.52Å; L230-L236 HydrophobicContact CD2-CD1 3.49Å; L230-L236 VanDerWaalsContact CD2-CD1 3.49Å; L230-L236 HydrophobicContact CD2-CG 3.99Å; L230-L236 HydrophobicContact CG-CD1 4.03Å; L230-V255 HydrophobicContact CD1-CB 3.67Å; L230-V255 HydrophobicContact CD1-CG1 3.33Å; L230-V255 HydrophobicContact CD2-CB 3.75Å; L230-V255 HydrophobicContact CD2-CG1 3.97Å; L230-V255 HydrophobicContact CD2-CG2 3.91Å; L230-V255 HydrophobicContact CG-CB 4.26Å; L230-V255 HydrophobicContact CG-CG1 4.29Å; L230-F258 HydrophobicContact CD1-CB 4.09Å; L230-F258 HydrophobicContact CD1-CD1 3.14Å; L230-F258 HydrophobicContact CD1-CE1 3.74Å; L230-F258 HydrophobicContact CD1-CG 3.85Å; L230-F258 HydrophobicContact CG-CD1 3.68Å; L230-F258 HydrophobicContact CG-CE1 3.82Å; L230-F258 HydrophobicContact CG-CG 4.35Å
231A79.7Confident88.9Confident1 Ų126.4 Ų26.41%0.00814%0.144CC..  trans-86.6154.416200000111.1I201 D215 V216 N233 G234 N235I201-A231 HydrophobicContact CD1-CB 3.94Å; I201-A231 HydrophobicContact CG1-CB 4.13Å; D215-A231 CarbonylContact O-C 3.5Å; V216-A231 HydrophobicContact CG2-CB 4.16Å; A231-N233 WeakPolarHBondContact CB-OD1 3.46Å; A231-N233 PolarHBondContact O-N 3.41Å; A231-G234 WeakPolarHBondContact O-CA 3.48Å; A231-G234 PolarHBondContact O-N 2.81Å; A231-N235 HydrophobicContact CB-CB 4.3Å; A231-N235 PolarHBondContact N-O 3.09Å; A231-N235 VanDerWaalsContact N-O 3.12Å
232Y66.9Low89Confident96 Ų9635 Ų3538%0.37617%0.172SC..THydrogen-bonded Turntrans-57.1-33.9-178.8178.2-104.2000112L163 L213 D215 G234 S254L163-Y232 HydrophobicContact CD1-CD1 4.15Å; L163-Y232 HydrophobicContact CD1-CD2 3.36Å; L163-Y232 HydrophobicContact CD1-CE1 4.02Å; L163-Y232 HydrophobicContact CD1-CE2 3.21Å; L163-Y232 HydrophobicContact CD1-CG 3.85Å; L213-Y232 HydrophobicContact CB-CD1 4.28Å; L213-Y232 HydrophobicContact CB-CE1 4.15Å; D215-Y232 VanDerWaalsContact N-CB 3.29Å; D215-Y232 WeakPolarHBondContact O-CA 3.47Å; D215-Y232 WeakPolarHBondContact O-CB 3.16Å; D215-Y232 PolarHBondContact O-N 2.82Å; Y232-G234 PolarHBondContact O-N 2.84Å; Y232-G234 VanDerWaalsContact O-N 3.12Å; Y232-S254 WeakPolarHBondContact O-CA 3.26Å; Y232-S254 WeakPolarHBondContact O-CB 3.37Å; Y232-S254 PolarHBondContact O-OG 3.33Å
233N67.4Low89Confident50 Ų5035.8 Ų35.827%0.26718%0.179SC..THydrogen-bonded Turntrans-71.90.2174.672.6-12.7000113.8S202 A231 N235S202-N233 PolarHBondContact OG-ND2 3.46Å; S202-N233 PolarHBondContact OG-OD1 3.39Å; A231-N233 WeakPolarHBondContact CB-OD1 3.46Å; A231-N233 PolarHBondContact O-N 3.41Å; N233-N235 PolarHBondContact ND2-ND2 3.45Å; N233-N235 WeakPolarHBondContact OD1-CB 3.42Å; N233-N235 VanDerWaalsContact OD1-CG 3.3Å; N233-N235 PolarHBondContact OD1-N 3.36Å; N233-N235 PolarHBondContact OD1-ND2 2.82Å
234G69.6Low89.1Confident0 Ų034.1 Ų34.10%017%0.169CC..SBendtrans96.511.7176.700000116.4A231 Y232 L236 L252 G253 S254A231-G234 WeakPolarHBondContact O-CA 3.48Å; A231-G234 PolarHBondContact O-N 2.81Å; Y232-G234 PolarHBondContact O-N 2.84Å; Y232-G234 VanDerWaalsContact O-N 3.12Å; G234-L236 PolarHBondContact O-N 2.81Å; G234-L252 PolarHBondContact O-N 2.86Å; G234-G253 WeakPolarHBondContact CA-O 3.35Å; G234-S254 VanDerWaalsContact CA-CA 3.49Å
235N81.3Confident89.5Confident19 Ų1932.7 Ų32.710%0.10216%0.157CC..EExtended strand (participates in β ladder)trans-84.397.4-178.7-70.7-13000110.5A231 N233 T237 R250 E251A231-N235 HydrophobicContact CB-CB 4.3Å; A231-N235 PolarHBondContact N-O 3.09Å; A231-N235 VanDerWaalsContact N-O 3.12Å; N233-N235 PolarHBondContact ND2-ND2 3.45Å; N233-N235 WeakPolarHBondContact OD1-CB 3.42Å; N233-N235 VanDerWaalsContact OD1-CG 3.3Å; N233-N235 PolarHBondContact OD1-N 3.36Å; N233-N235 PolarHBondContact OD1-ND2 2.82Å; N235-T237 PolarHBondContact O-N 2.78Å; N235-T237 PolarHBondContact O-OG1 2.86Å; N235-R250 CarbonylContact C-O 3.46Å; N235-R250 WeakPolarHBondContact CA-O 3.37Å; N235-E251 WeakPolarHBondContact OD1-CG 3.49Å
236L90Very high89.6Confident0 Ų035.2 Ų35.20%017%0.165CC..EExtended strand (participates in β ladder)trans-72.9120.1164.9-179.759.7000109.2L230 G234 W248 K249 R250 L252 F258 I265 L267 L277L230-L236 HydrophobicContact CD2-CB 3.52Å; L230-L236 HydrophobicContact CD2-CD1 3.49Å; L230-L236 VanDerWaalsContact CD2-CD1 3.49Å; L230-L236 HydrophobicContact CD2-CG 3.99Å; L230-L236 HydrophobicContact CG-CD1 4.03Å; G234-L236 PolarHBondContact O-N 2.81Å; L236-W248 HydrophobicContact CB-CZ3 4.48Å; L236-W248 HydrophobicContact CD2-CH2 3.73Å; L236-W248 HydrophobicContact CD2-CZ3 4.15Å; L236-W248 HydrophobicContact CG-CH2 3.78Å; L236-W248 HydrophobicContact CG-CZ3 3.95Å; L236-K249 CarbonylContact O-C 3.52Å; L236-K249 WeakPolarHBondContact O-CA 3.11Å; L236-R250 PolarHBondContact N-O 2.94Å; L236-R250 PolarHBondContact O-N 2.95Å; L236-L252 HydrophobicContact CB-CD1 3.82Å; L236-L252 HydrophobicContact CD2-CD1 4.04Å; L236-F258 HydrophobicContact CD1-CE2 4.48Å; L236-I265 HydrophobicContact CD2-CD1 3.99Å; L236-I265 HydrophobicContact CD2-CG2 4.2Å; L236-L267 HydrophobicContact CD2-CD2 4.42Å; L236-L277 HydrophobicContact CD2-CD1 3.73Å
237T93.4Very high89.6Confident1 Ų139.2 Ų39.21%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-126.9132.6-175-51.20000110.2I201 F228 A229 N235 L239 I246 K249I201-T237 HydrophobicContact CB-CG2 4.41Å; I201-T237 HydrophobicContact CG2-CG2 3.89Å; F228-T237 WeakPolarHBondContact CA-O 3.47Å; A229-T237 PolarHBondContact N-O 3.01Å; A229-T237 PolarHBondContact O-N 3.27Å; N235-T237 PolarHBondContact O-N 2.78Å; N235-T237 PolarHBondContact O-OG1 2.86Å; T237-L239 HydrophobicContact CG2-CD2 3.51Å; T237-L239 HydrophobicContact CG2-CG 4.11Å; T237-I246 HydrophobicContact CG2-CB 4.48Å; T237-I246 HydrophobicContact CG2-CD1 4.45Å; T237-I246 HydrophobicContact CG2-CG1 4.07Å; T237-I246 HydrophobicContact CG2-CG2 3.86Å; T237-K249 HydrophobicContact CG2-CB 4.41Å
238A95.5Very high89.5Confident0 Ų040.7 Ų40.70%019%0.189CC..EExtended strand (participates in β ladder)trans-99.1128.616700000109.5V226 V227 F228 M247 W248V226-A238 HydrophobicContact CG1-CB 3.9Å; V227-A238 CarbonylContact O-C 3.56Å; V227-A238 WeakPolarHBondContact O-CA 3.44Å; F228-A238 HydrophobicContact CD1-CB 3.96Å; F228-A238 HydrophobicContact CE1-CB 3.7Å; A238-M247 HydrophobicContact CB-CB 4.32Å; A238-M247 PolarHBondContact O-N 3.39Å; A238-W248 HydrophobicContact CB-CD2 3.79Å; A238-W248 HydrophobicContact CB-CG 3.96Å; A238-W248 HydrophobicContact CB-CZ2 3.9Å; A238-W248 VanDerWaalsContact CB-NE1 3.3Å; A238-W248 PolarHBondContact N-O 2.84Å; A238-W248 PolarHBondContact O-N 3.21Å
239L96.8Very high89.4Confident0 Ų045.6 Ų45.60%021%0.211CC..EExtended strand (participates in β ladder)trans-123.2143.1-177.3-50170.1000110.1V185 W197 Q199 I201 V226 V227 T237 L241 Q245 I246V185-L239 HydrophobicContact CB-CD1 3.86Å; V185-L239 HydrophobicContact CG1-CD1 4.04Å; V185-L239 HydrophobicContact CG2-CD1 4.06Å; W197-L239 HydrophobicContact CH2-CD1 4.06Å; W197-L239 HydrophobicContact CZ3-CD1 4.24Å; Q199-L239 HydrophobicContact CG-CD2 3.96Å; I201-L239 HydrophobicContact CG2-CD1 4.1Å; I201-L239 HydrophobicContact CG2-CD2 4.03Å; V226-L239 CarbonylContact C-O 3.58Å; V226-L239 WeakPolarHBondContact CA-O 3.31Å; V227-L239 HydrophobicContact CB-CB 4.22Å; V227-L239 PolarHBondContact N-O 2.89Å; V227-L239 PolarHBondContact O-N 3.21Å; T237-L239 HydrophobicContact CG2-CD2 3.51Å; T237-L239 HydrophobicContact CG2-CG 4.11Å; L239-L241 PolarHBondContact O-N 2.57Å; L239-Q245 CarbonylContact C-O 3.6Å; L239-Q245 VanDerWaalsContact CA-O 3.28Å; L239-Q245 WeakPolarHBondContact CA-O 3.27Å; L239-I246 HydrophobicContact CD2-CB 4.23Å; L239-I246 HydrophobicContact CD2-CG1 3.57Å
240D97.3Very high89.2Confident54 Ų5451.1 Ų51.129%0.28923%0.232SC..EExtended strand (participates in β ladder)trans-65.5125.7166172.1-95.7000109.9R242 S243 G244 Q245D240-R242 PolarHBondContact O-N 2.89Å; D240-R242 PolarHBondContact OD1-N 2.74Å; D240-R242 VanDerWaalsContact OD1-N 3.1Å; D240-S243 WeakPolarHBondContact CB-OG 3.15Å; D240-S243 PolarHBondContact O-N 3.01Å; D240-S243 WeakPolarHBondContact OD1-CB 3.31Å; D240-S243 PolarHBondContact OD1-N 2.88Å; D240-S243 PolarHBondContact OD1-OG 3.02Å; D240-G244 VanDerWaalsContact O-CA 3.31Å; D240-G244 WeakPolarHBondContact O-CA 3.47Å; D240-G244 PolarHBondContact O-N 3.13Å; D240-Q245 PolarHBondContact N-O 2.89Å
241L96.8Very high89.1Confident13 Ų1357.6 Ų57.67%0.06826%0.262CS..THydrogen-bonded Turntrans-61.2-29.9-174.417564.5000113.5A172 F173 V177 W197 V222 G225 V227 L239A172-L241 HydrophobicContact CB-CD1 4.4Å; A172-L241 HydrophobicContact CB-CD2 3.77Å; F173-L241 HydrophobicContact CD2-CD2 3.64Å; F173-L241 HydrophobicContact CE2-CD2 3.99Å; V177-L241 HydrophobicContact CG2-CD1 3.55Å; W197-L241 PolarHBondContact NE1-O 2.95Å; V222-L241 HydrophobicContact CG1-CD1 4.11Å; V222-L241 HydrophobicContact CG1-CD2 3.92Å; G225-L241 WeakPolarHBondContact O-CB 3.39Å; G225-L241 PolarHBondContact O-N 2.92Å; V227-L241 HydrophobicContact CG2-CB 4.09Å; V227-L241 HydrophobicContact CG2-CD1 3.52Å; V227-L241 HydrophobicContact CG2-CG 4.41Å; L239-L241 PolarHBondContact O-N 2.57Å
242R95.8Very high88.9Confident218 Ų21859.5 Ų59.582%0.82327%0.271SS*.THydrogen-bonded Turntrans-87.8-32.9-173.3-67.4-179.6177.8162.20.5112.8D240D240-R242 PolarHBondContact O-N 2.89Å; D240-R242 PolarHBondContact OD1-N 2.74Å; D240-R242 VanDerWaalsContact OD1-N 3.1Å
243S96.5Very high89Confident52 Ų5256.1 Ų56.136%0.36427%0.266SS..THydrogen-bonded Turntrans-113-17.4-172.663.60000114D240 Q245D240-S243 WeakPolarHBondContact CB-OG 3.15Å; D240-S243 PolarHBondContact O-N 3.01Å; D240-S243 WeakPolarHBondContact OD1-CB 3.31Å; D240-S243 PolarHBondContact OD1-N 2.88Å; D240-S243 PolarHBondContact OD1-OG 3.02Å; S243-Q245 PolarHBondContact O-N 3.08Å; S243-Q245 WeakPolarHBondContact OG-CG 3.32Å; S243-Q245 PolarHBondContact OG-N 3.48Å
244G96.2Very high89Confident0 Ų054.6 Ų54.60%026%0.259CS..  trans71.97.3-171.400000113.7W197 Q199 D240 I246W197-G244 VanDerWaalsContact CD2-CA 3.46Å; Q199-G244 WeakPolarHBondContact CB-O 3.49Å; Q199-G244 WeakPolarHBondContact CG-O 3.17Å; Q199-G244 PolarHBondContact OE1-O 2.93Å; D240-G244 VanDerWaalsContact O-CA 3.31Å; D240-G244 WeakPolarHBondContact O-CA 3.47Å; D240-G244 PolarHBondContact O-N 3.13Å; G244-I246 PolarHBondContact O-N 3.17Å
245Q97.2Very high88.9Confident136 Ų13655 Ų5564%0.63626%0.262SS*.  trans-66.3133.8-179-73.6-172.8-2.900111.4L239 D240 S243 M247L239-Q245 CarbonylContact C-O 3.6Å; L239-Q245 VanDerWaalsContact CA-O 3.28Å; L239-Q245 WeakPolarHBondContact CA-O 3.27Å; D240-Q245 PolarHBondContact N-O 2.89Å; S243-Q245 PolarHBondContact O-N 3.08Å; S243-Q245 WeakPolarHBondContact OG-CG 3.32Å; S243-Q245 PolarHBondContact OG-N 3.48Å; Q245-M247 PolarHBondContact O-N 3.14Å
246I95.8Very high88.5Confident72 Ų7257.3 Ų57.337%0.36927%0.274SS..EExtended strand (participates in β ladder)trans-67115.8175.6-58.8175.3000109.4Q199 T237 L239 G244 K249Q199-I246 HydrophobicContact CG-CG1 4.16Å; T237-I246 HydrophobicContact CG2-CB 4.48Å; T237-I246 HydrophobicContact CG2-CD1 4.45Å; T237-I246 HydrophobicContact CG2-CG1 4.07Å; T237-I246 HydrophobicContact CG2-CG2 3.86Å; L239-I246 HydrophobicContact CD2-CB 4.23Å; L239-I246 HydrophobicContact CD2-CG1 3.57Å; G244-I246 PolarHBondContact O-N 3.17Å; I246-K249 HydrophobicContact CG2-CB 4.41Å
247M96Very high87.9Confident109 Ų10959.3 Ų59.354%0.53729%0.285SS..EExtended strand (participates in β ladder)trans-79.6-46.7172.3-63.8178.364.900110.5V226 A238 Q245V226-M247 HydrophobicContact CB-SD 4.28Å; V226-M247 HydrophobicContact CG1-SD 3.73Å; V226-M247 HydrophobicContact CG2-CE 4.02Å; V226-M247 HydrophobicContact CG2-SD 3.65Å; A238-M247 HydrophobicContact CB-CB 4.32Å; A238-M247 PolarHBondContact O-N 3.39Å; Q245-M247 PolarHBondContact O-N 3.14Å
248W95Very high87.8Confident30 Ų3060 Ų6011%0.11429%0.288CS..EExtended strand (participates in β ladder)trans-157.1162.2172.261.3-102.9000110.9F228 L236 A238 R250 I265 I279 D280F228-W248 HydrophobicContact CD1-CZ2 4.1Å; F228-W248 AromaticContact CE1-CZ2 3.8Å; F228-W248 HydrophobicContact CE1-CZ2 3.8Å; L236-W248 HydrophobicContact CB-CZ3 4.48Å; L236-W248 HydrophobicContact CD2-CH2 3.73Å; L236-W248 HydrophobicContact CD2-CZ3 4.15Å; L236-W248 HydrophobicContact CG-CH2 3.78Å; L236-W248 HydrophobicContact CG-CZ3 3.95Å; A238-W248 HydrophobicContact CB-CD2 3.79Å; A238-W248 HydrophobicContact CB-CG 3.96Å; A238-W248 HydrophobicContact CB-CZ2 3.9Å; A238-W248 VanDerWaalsContact CB-NE1 3.3Å; A238-W248 PolarHBondContact N-O 2.84Å; A238-W248 PolarHBondContact O-N 3.21Å; W248-R250 HydrophobicContact CE3-CG 3.92Å; W248-R250 HydrophobicContact CZ3-CB 4.14Å; W248-R250 HydrophobicContact CZ3-CG 3.64Å; W248-I265 HydrophobicContact CH2-CD1 3.94Å; W248-I265 HydrophobicContact CZ2-CD1 3.96Å; W248-I279 WeakPolarHBondContact CZ2-O 3.34Å; W248-I279 PolarHBondContact NE1-O 2.8Å; W248-D280 VanDerWaalsContact CD1-O 3.24Å
249K92.2Very high87.8Confident106 Ų10662 Ų6246%0.46130%0.298SS..EExtended strand (participates in β ladder)trans-140146.5174.865.7171.8-172.11550112.3L236 T237 I246 E251L236-K249 CarbonylContact O-C 3.52Å; L236-K249 WeakPolarHBondContact O-CA 3.11Å; T237-K249 HydrophobicContact CG2-CB 4.41Å; I246-K249 HydrophobicContact CG2-CB 4.41Å; K249-E251 IonicContact NZ-OE1 2.74Å
250R88.5Confident87.7Confident116 Ų11663.3 Ų63.344%0.43831%0.306SS..EExtended strand (participates in β ladder)trans-129.2132173-68-72.668-160.2-13.3111N235 L236 W248 L252 G281 G282N235-R250 CarbonylContact C-O 3.46Å; N235-R250 WeakPolarHBondContact CA-O 3.37Å; L236-R250 PolarHBondContact N-O 2.94Å; L236-R250 PolarHBondContact O-N 2.95Å; W248-R250 HydrophobicContact CE3-CG 3.92Å; W248-R250 HydrophobicContact CZ3-CB 4.14Å; W248-R250 HydrophobicContact CZ3-CG 3.64Å; R250-L252 HydrophobicContact CB-CD1 4.27Å; R250-L252 HydrophobicContact CB-CD2 4.24Å; R250-L252 HydrophobicContact CB-CG 3.96Å; R250-G281 WeakPolarHBondContact CD-O 3.41Å; R250-G281 WeakPolarHBondContact CG-O 3.4Å; R250-G282 WeakPolarHBondContact CD-O 3.38Å
251E84.1Confident87.6Confident136 Ų13664.6 Ų64.664%0.63631%0.313SS*.EExtended strand (participates in β ladder)trans-93.396174.2-55.1-177176.100106.2N235 K249N235-E251 WeakPolarHBondContact OD1-CG 3.49Å; K249-E251 IonicContact NZ-OE1 2.74Å
252L75.5Confident87.4Confident41 Ų4166.5 Ų66.522%0.21534%0.335CS..  trans-100.8-8.4-176.3-62.1166000112.1G234 L236 R250 V255 L267 L277G234-L252 PolarHBondContact O-N 2.86Å; L236-L252 HydrophobicContact CB-CD1 3.82Å; L236-L252 HydrophobicContact CD2-CD1 4.04Å; R250-L252 HydrophobicContact CB-CD1 4.27Å; R250-L252 HydrophobicContact CB-CD2 4.24Å; R250-L252 HydrophobicContact CB-CG 3.96Å; L252-V255 HydrophobicContact CB-CG2 4.22Å; L252-V255 HydrophobicContact CD1-CG2 4.46Å; L252-L267 HydrophobicContact CD1-CD2 3.79Å; L252-L277 HydrophobicContact CD1-CD1 3.53Å; L252-L277 HydrophobicContact CD2-CD1 4.22Å
253G68.3Low87.3Confident26 Ų2662.1 Ų62.127%0.26833%0.329SS..SBendtrans76158.8-16000000110.3G234 V255G234-G253 WeakPolarHBondContact CA-O 3.35Å; G253-V255 VanDerWaalsContact O-CG2 3.32Å; G253-V255 WeakPolarHBondContact O-CG2 3.38Å; G253-V255 PolarHBondContact O-N 3.41Å
254S67.5Low87.3Confident18 Ų1862.7 Ų62.713%0.12632%0.323CS..  trans-43.5130.6-171.7-54.50000111.4Y232 G234 D269 Q270Y232-S254 WeakPolarHBondContact O-CA 3.26Å; Y232-S254 WeakPolarHBondContact O-CB 3.37Å; Y232-S254 PolarHBondContact O-OG 3.33Å; G234-S254 VanDerWaalsContact CA-CA 3.49Å; S254-D269 CarbonylContact O-C 3.43Å; S254-Q270 VanDerWaalsContact N-NE2 3.16Å; S254-Q270 VanDerWaalsContact O-CB 3.22Å; S254-Q270 WeakPolarHBondContact O-CB 3.12Å; S254-Q270 WeakPolarHBondContact O-CG 3.48Å; S254-Q270 PolarHBondContact O-N 2.87Å
255V68.3Low87.3Confident9 Ų962.7 Ų62.76%0.05532%0.323CS..EExtended strand (participates in β ladder)trans-118.2134.5179.8-179.20000106.7L230 L252 G253 L267 V268L230-V255 HydrophobicContact CD1-CB 3.67Å; L230-V255 HydrophobicContact CD1-CG1 3.33Å; L230-V255 HydrophobicContact CD2-CB 3.75Å; L230-V255 HydrophobicContact CD2-CG1 3.97Å; L230-V255 HydrophobicContact CD2-CG2 3.91Å; L230-V255 HydrophobicContact CG-CB 4.26Å; L230-V255 HydrophobicContact CG-CG1 4.29Å; L252-V255 HydrophobicContact CB-CG2 4.22Å; L252-V255 HydrophobicContact CD1-CG2 4.46Å; G253-V255 VanDerWaalsContact O-CG2 3.32Å; G253-V255 WeakPolarHBondContact O-CG2 3.38Å; G253-V255 PolarHBondContact O-N 3.41Å; V255-L267 HydrophobicContact CG1-CB 3.87Å; V255-L267 HydrophobicContact CG1-CD1 4.07Å; V255-L267 HydrophobicContact CG1-CG 4.36Å; V255-L267 HydrophobicContact CG2-CD1 4.37Å; V255-V268 VanDerWaalsContact CG1-O 3.27Å; V255-V268 WeakPolarHBondContact CG1-O 2.85Å
256N71.3Confident87.3Confident67 Ų6756.2 Ų56.236%0.35829%0.293SS..EExtended strand (participates in β ladder)trans-81.3-51.2-178.7-65-18.2000110.1T218 V268T218-N256 VanDerWaalsContact CG2-O 3.24Å; T218-N256 WeakPolarHBondContact CG2-O 3.38Å; N256-V268 PolarHBondContact N-O 2.69Å
257D77.6Confident87.2Confident42 Ų4252.8 Ų52.823%0.22528%0.275CS..EExtended strand (participates in β ladder)trans-150.4155.5-170.7-66.6-85.6000111.3L267 V268 S298D257-L267 VanDerWaalsContact O-CA 3.29Å; D257-L267 WeakPolarHBondContact O-CA 3.46Å; D257-L267 WeakPolarHBondContact O-CB 3.27Å; D257-V268 PolarHBondContact O-N 2.74Å; D257-S298 WeakPolarHBondContact OD1-CB 3.29Å; D257-S298 PolarHBondContact OD1-OG 2.94Å; D257-S298 PolarHBondContact OD2-OG 2.83Å
258F92Very high87Confident16 Ų1647.6 Ų47.67%0.0725%0.249CC..EExtended strand (participates in β ladder)trans-153.3156.317476.4-67.5000112.5V221 F228 L230 L236 V260 I265 Y266 L267V221-F258 HydrophobicContact CB-CE2 3.82Å; V221-F258 HydrophobicContact CB-CZ 3.93Å; V221-F258 HydrophobicContact CG2-CD2 4.32Å; V221-F258 HydrophobicContact CG2-CE1 4.19Å; V221-F258 HydrophobicContact CG2-CE2 3.59Å; V221-F258 HydrophobicContact CG2-CZ 3.54Å; F228-F258 HydrophobicContact CB-CE2 3.58Å; F228-F258 HydrophobicContact CB-CZ 3.89Å; F228-F258 WeakPolarHBondContact O-CZ 3.36Å; L230-F258 HydrophobicContact CD1-CB 4.09Å; L230-F258 HydrophobicContact CD1-CD1 3.14Å; L230-F258 HydrophobicContact CD1-CE1 3.74Å; L230-F258 HydrophobicContact CD1-CG 3.85Å; L230-F258 HydrophobicContact CG-CD1 3.68Å; L230-F258 HydrophobicContact CG-CE1 3.82Å; L230-F258 HydrophobicContact CG-CG 4.35Å; L236-F258 HydrophobicContact CD1-CE2 4.48Å; F258-V260 HydrophobicContact CD2-CG2 4.02Å; F258-V260 HydrophobicContact CE2-CG2 3.83Å; F258-I265 HydrophobicContact CB-CG2 4.25Å; F258-I265 HydrophobicContact CD2-CG2 3.83Å; F258-I265 HydrophobicContact CG-CG2 4.48Å; F258-Y266 CarbonylContact C-O 3.51Å; F258-Y266 WeakPolarHBondContact CA-O 3.47Å; F258-Y266 WeakPolarHBondContact CB-O 3.44Å; F258-L267 HydrophobicContact CB-CB 3.75Å
259I94.8Very high86.6Confident41 Ų4146.4 Ų46.421%0.2125%0.245CC..EExtended strand (participates in β ladder)trans-127.3154.9168.759.7169.6000109.5I265 Y266 P299 L301 L306I259-I265 CarbonylContact O-C 3.55Å; I259-I265 WeakPolarHBondContact O-CA 3.1Å; I259-Y266 HydrophobicContact CD1-CD2 4.02Å; I259-Y266 HydrophobicContact CG1-CD2 4.03Å; I259-Y266 HydrophobicContact CG1-CG 4.46Å; I259-Y266 PolarHBondContact N-O 3.43Å; I259-Y266 PolarHBondContact O-N 2.88Å; I259-P299 HydrophobicContact CG1-CG 4.26Å; I259-P299 WeakPolarHBondContact CG2-O 3.04Å; I259-L301 HydrophobicContact CD1-CD1 4.35Å; I259-L301 HydrophobicContact CD1-CG 3.9Å; I259-L306 HydrophobicContact CD1-CD1 3.88Å
260V95.5Very high86.1Confident27 Ų2745.8 Ų45.816%0.16424%0.244CC..EExtended strand (participates in β ladder)trans-116.2123173.9-174.30000108.2V221 V223 F228 F258 R264 I265 I279V221-V260 HydrophobicContact CB-CG2 4.05Å; V221-V260 HydrophobicContact CG1-CB 3.96Å; V221-V260 HydrophobicContact CG1-CG2 3.74Å; V223-V260 HydrophobicContact CG2-CB 4.13Å; V223-V260 HydrophobicContact CG2-CG1 3.94Å; F228-V260 HydrophobicContact CB-CG2 4.45Å; F228-V260 HydrophobicContact CD2-CG2 4.1Å; F228-V260 HydrophobicContact CG-CG2 4.24Å; F258-V260 HydrophobicContact CD2-CG2 4.02Å; F258-V260 HydrophobicContact CE2-CG2 3.83Å; V260-R264 WeakPolarHBondContact CA-O 3.45Å; V260-I265 HydrophobicContact CG1-CG1 4.49Å; V260-I265 HydrophobicContact CG2-CG1 4.19Å; V260-I279 HydrophobicContact CG1-CD1 3.71Å; V260-I279 HydrophobicContact CG1-CG1 4.46Å
261D95Very high86.1Confident81 Ų8142.2 Ų42.243%0.43323%0.233SC..EExtended strand (participates in β ladder)trans-131.9115.9176.8175.248.6000110N263 R264 Y266 L301D261-N263 PolarHBondContact O-N 2.87Å; D261-R264 PolarHBondContact N-O 2.56Å; D261-R264 PolarHBondContact O-N 2.88Å; D261-Y266 HydrophobicContact CB-CD2 4.5Å; D261-Y266 HydrophobicContact CB-CE2 4.03Å; D261-L301 HydrophobicContact CB-CD1 3.45Å; D261-L301 VanDerWaalsContact CB-CD1 3.45Å; D261-L301 VanDerWaalsContact OD2-CD1 3.26Å; D261-L301 WeakPolarHBondContact OD2-CD1 3.22Å
262G91.9Very high86.4Confident53 Ų5335.9 Ų35.955%0.54620%0.204SC..THydrogen-bonded Turntrans53.1-114.1-173.200000112
263N94.5Very high87.3Confident127 Ų12737.9 Ų37.968%0.67921%0.209SC*.THydrogen-bonded Turntrans-100.512-179.7-68.2-11.6000113.6D261 I279D261-N263 PolarHBondContact O-N 2.87Å; N263-I279 HydrophobicContact CB-CG2 4.08Å; N263-I279 PolarHBondContact O-N 3.21Å
264R96.9Very high88.6Confident63 Ų6336.7 Ų36.724%0.23820%0.196CC..EExtended strand (participates in β ladder)trans-119.8142-175.8-62.8-179.9-177.1163.92.7111.1V260 D261 Y266 L277 L285 V320 E321V260-R264 WeakPolarHBondContact CA-O 3.45Å; D261-R264 PolarHBondContact N-O 2.56Å; D261-R264 PolarHBondContact O-N 2.88Å; R264-Y266 HydrophobicContact CB-CE1 4.44Å; R264-Y266 HydrophobicContact CB-CE2 4.1Å; R264-Y266 WeakPolarHBondContact CD-OH 3.35Å; R264-Y266 PolarHBondContact NH1-OH 2.93Å; R264-L277 CarbonylContact C-O 3.54Å; R264-L277 VanDerWaalsContact CA-O 3.3Å; R264-L277 WeakPolarHBondContact CA-O 3.34Å; R264-L285 HydrophobicContact CG-CD1 3.78Å; R264-V320 PolarHBondContact NH1-O 2.79Å; R264-E321 IonicContact CZ-OE1 2.88Å; R264-E321 VanDerWaalsContact CZ-OE1 3.3Å; R264-E321 IonicContact CZ-OE2 3.8Å; R264-E321 IonicContact NH1-OE1 2.71Å; R264-E321 PolarHBondContact NH1-OE1 3.03Å; R264-E321 IonicContact NH1-OE2 2.72Å; R264-E321 IonicContact NH2-OE1 2.73Å; R264-E321 PolarHBondContact NH2-OE1 2.8Å; R264-E321 IonicContact NH2-OE2 2.99Å; R264-E321 PolarHBondContact NH2-OE2 3.34Å
265I95.9Very high90Very high0 Ų036.8 Ų36.80%020%0.195CC..EExtended strand (participates in β ladder)trans-110.1118.3169.3-55.9179.2000106.5F228 L236 W248 F258 I259 V260 A276 L277F228-I265 HydrophobicContact CD1-CD1 3.82Å; F228-I265 HydrophobicContact CE1-CD1 4.05Å; L236-I265 HydrophobicContact CD2-CD1 3.99Å; L236-I265 HydrophobicContact CD2-CG2 4.2Å; W248-I265 HydrophobicContact CH2-CD1 3.94Å; W248-I265 HydrophobicContact CZ2-CD1 3.96Å; F258-I265 HydrophobicContact CB-CG2 4.25Å; F258-I265 HydrophobicContact CD2-CG2 3.83Å; F258-I265 HydrophobicContact CG-CG2 4.48Å; I259-I265 CarbonylContact O-C 3.55Å; I259-I265 WeakPolarHBondContact O-CA 3.1Å; V260-I265 HydrophobicContact CG1-CG1 4.49Å; V260-I265 HydrophobicContact CG2-CG1 4.19Å; I265-A276 CarbonylContact O-C 3.59Å; I265-A276 VanDerWaalsContact O-CA 3.29Å; I265-A276 WeakPolarHBondContact O-CA 3.41Å; I265-L277 HydrophobicContact CB-CB 4.29Å; I265-L277 PolarHBondContact N-O 2.98Å; I265-L277 PolarHBondContact O-N 3.14Å
266Y96.2Very high91.4Very high1 Ų136.3 Ų36.30%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-100.8134171.6-55.2-76.3000108.8F258 I259 D261 R264 M275 A276 W286 L301 L306 V320F258-Y266 CarbonylContact C-O 3.51Å; F258-Y266 WeakPolarHBondContact CA-O 3.47Å; F258-Y266 WeakPolarHBondContact CB-O 3.44Å; I259-Y266 HydrophobicContact CD1-CD2 4.02Å; I259-Y266 HydrophobicContact CG1-CD2 4.03Å; I259-Y266 HydrophobicContact CG1-CG 4.46Å; I259-Y266 PolarHBondContact N-O 3.43Å; I259-Y266 PolarHBondContact O-N 2.88Å; D261-Y266 HydrophobicContact CB-CD2 4.5Å; D261-Y266 HydrophobicContact CB-CE2 4.03Å; R264-Y266 HydrophobicContact CB-CE1 4.44Å; R264-Y266 HydrophobicContact CB-CE2 4.1Å; R264-Y266 WeakPolarHBondContact CD-OH 3.35Å; R264-Y266 PolarHBondContact NH1-OH 2.93Å; Y266-M275 VanDerWaalsContact CA-O 3.32Å; Y266-M275 WeakPolarHBondContact CA-O 3.05Å; Y266-A276 HydrophobicContact CD1-CB 3.74Å; Y266-A276 HydrophobicContact CE1-CB 3.77Å; Y266-W286 HydrophobicContact CD1-CH2 4.37Å; Y266-W286 AromaticContact CD1-CZ2 3.86Å; Y266-W286 HydrophobicContact CD1-CZ2 3.86Å; Y266-W286 AromaticContact CE1-CZ2 3.86Å; Y266-W286 HydrophobicContact CE1-CZ2 3.86Å; Y266-L301 HydrophobicContact CE2-CD1 4.21Å; Y266-L301 HydrophobicContact CE2-CD2 4.19Å; Y266-L306 HydrophobicContact CD1-CD1 4.32Å; Y266-L306 HydrophobicContact CD1-CD2 4.02Å; Y266-L306 HydrophobicContact CD2-CD1 4.05Å; Y266-L306 HydrophobicContact CG-CD1 3.79Å; Y266-L306 HydrophobicContact CG-CD2 4.16Å; Y266-V320 HydrophobicContact CE1-CB 4.35Å; Y266-V320 WeakPolarHBondContact OH-CB 3.25Å
267L93.8Very high92.5Very high0 Ų033.1 Ų33.10%018%0.175CC..EExtended strand (participates in β ladder)trans-143.2161.6-176.565.484.5000112.4L236 L252 V255 D257 F258 D269 V274 M275 L277L236-L267 HydrophobicContact CD2-CD2 4.42Å; L252-L267 HydrophobicContact CD1-CD2 3.79Å; V255-L267 HydrophobicContact CG1-CB 3.87Å; V255-L267 HydrophobicContact CG1-CD1 4.07Å; V255-L267 HydrophobicContact CG1-CG 4.36Å; V255-L267 HydrophobicContact CG2-CD1 4.37Å; D257-L267 VanDerWaalsContact O-CA 3.29Å; D257-L267 WeakPolarHBondContact O-CA 3.46Å; D257-L267 WeakPolarHBondContact O-CB 3.27Å; F258-L267 HydrophobicContact CB-CB 3.75Å; L267-D269 HydrophobicContact CD1-CB 4.42Å; L267-V274 WeakPolarHBondContact O-CA 3.3Å; L267-M275 HydrophobicContact CD1-CB 3.86Å; L267-M275 HydrophobicContact CD1-CG 4.15Å; L267-M275 HydrophobicContact CD1-SD 4.06Å; L267-M275 HydrophobicContact CG-CB 4.06Å; L267-M275 PolarHBondContact N-O 2.91Å; L267-M275 PolarHBondContact O-N 2.99Å; L267-L277 HydrophobicContact CD2-CD1 3.59Å; L267-L277 HydrophobicContact CD2-CG 4.08Å
268V92.1Very high93.4Very high0 Ų032.3 Ų32.30%017%0.172CC..EExtended strand (participates in β ladder)trans-115.9116.5170.4175.20000108.6V255 N256 D257 R273 V274 L296 P299 V308V255-V268 VanDerWaalsContact CG1-O 3.27Å; V255-V268 WeakPolarHBondContact CG1-O 2.85Å; N256-V268 PolarHBondContact N-O 2.69Å; D257-V268 PolarHBondContact O-N 2.74Å; V268-R273 WeakPolarHBondContact CA-O 3.3Å; V268-V274 HydrophobicContact CG2-CG2 4.5Å; V268-L296 HydrophobicContact CG1-CB 3.94Å; V268-L296 HydrophobicContact CG1-CD1 4.1Å; V268-L296 HydrophobicContact CG2-CD1 4.47Å; V268-P299 HydrophobicContact CG2-CB 4.49Å; V268-P299 HydrophobicContact CG2-CG 4.31Å; V268-V308 HydrophobicContact CG2-CG1 4.15Å
269D87.5Confident93.5Very high4 Ų433.1 Ų33.12%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-76.2169176.390.6-2.8000112.2S254 L267 N271 D272 R273S254-D269 CarbonylContact O-C 3.43Å; L267-D269 HydrophobicContact CD1-CB 4.42Å; D269-N271 PolarHBondContact O-N 2.88Å; D269-N271 VanDerWaalsContact O-N 3.11Å; D269-N271 VanDerWaalsContact OD1-C 3.25Å; D269-N271 VanDerWaalsContact OD1-CA 3.26Å; D269-N271 WeakPolarHBondContact OD1-CA 3.46Å; D269-N271 WeakPolarHBondContact OD1-CB 3.38Å; D269-N271 PolarHBondContact OD1-N 2.89Å; D269-D272 WeakPolarHBondContact O-CA 3.32Å; D269-D272 PolarHBondContact O-N 3.27Å; D269-D272 PolarHBondContact OD1-N 2.84Å; D269-D272 VanDerWaalsContact OD1-N 3.08Å; D269-R273 HydrophobicContact CB-CB 4.48Å; D269-R273 PolarHBondContact N-O 2.87Å; D269-R273 WeakPolarHBondContact OD1-CB 3.2Å; D269-R273 PolarHBondContact OD1-N 2.96Å; D269-R273 WeakPolarHBondContact OD2-CD 3.17Å; D269-R273 WeakPolarHBondContact OD2-CG 3.44Å; D269-R273 IonicContact OD2-CZ 3.95Å; D269-R273 IonicContact OD2-NE 2.87Å; D269-R273 IonicContact OD2-NH1 3.79Å; D269-R273 PolarHBondContact OD2-NH1 2.81Å
270Q81.4Confident93.4Very high94 Ų9437.1 Ų37.144%0.43920%0.198SC..THydrogen-bonded Turntrans-60-19.4178.560.8-179.7-41.400115S254 D272S254-Q270 VanDerWaalsContact N-NE2 3.16Å; S254-Q270 VanDerWaalsContact O-CB 3.22Å; S254-Q270 WeakPolarHBondContact O-CB 3.12Å; S254-Q270 WeakPolarHBondContact O-CG 3.48Å; S254-Q270 PolarHBondContact O-N 2.87Å; Q270-D272 VanDerWaalsContact C-N 3.32Å
271N87.2Confident93.3Very high40 Ų4036.9 Ų36.921%0.21420%0.201CC..THydrogen-bonded Turntrans-96.49.7175.5-54.7-69000110.7D269 R273 L292 H293D269-N271 PolarHBondContact O-N 2.88Å; D269-N271 VanDerWaalsContact O-N 3.11Å; D269-N271 VanDerWaalsContact OD1-C 3.25Å; D269-N271 VanDerWaalsContact OD1-CA 3.26Å; D269-N271 WeakPolarHBondContact OD1-CA 3.46Å; D269-N271 WeakPolarHBondContact OD1-CB 3.38Å; D269-N271 PolarHBondContact OD1-N 2.89Å; N271-R273 VanDerWaalsContact C-N 3.32Å; N271-R273 PolarHBondContact ND2-NH1 2.99Å; N271-L292 HydrophobicContact CB-CD1 3.69Å; N271-L292 HydrophobicContact CB-CG 4.15Å; N271-L292 CarbonylContact O-C 3.45Å; N271-L292 WeakPolarHBondContact O-CA 3.33Å; N271-L292 WeakPolarHBondContact O-CD1 3.4Å; N271-L292 VanDerWaalsContact O-CG 3.27Å; N271-L292 WeakPolarHBondContact O-CG 3.43Å; N271-H293 PolarHBondContact O-N 3.47Å; N271-H293 PolarHBondContact OD1-CE1 3.43Å; N271-H293 VanDerWaalsContact OD1-CE1 3.26Å
272D91.7Very high93.1Very high3 Ų333.1 Ų33.12%0.01618%0.182CC..  trans63.131.5-175.1-58-60.5000114.3D269 Q270 L291 H293 R294 L295 L296D269-D272 WeakPolarHBondContact O-CA 3.32Å; D269-D272 PolarHBondContact O-N 3.27Å; D269-D272 PolarHBondContact OD1-N 2.84Å; D269-D272 VanDerWaalsContact OD1-N 3.08Å; Q270-D272 VanDerWaalsContact C-N 3.32Å; D272-L291 WeakPolarHBondContact CB-O 3.43Å; D272-H293 WeakPolarHBondContact OD2-CA 3.36Å; D272-H293 PolarHBondContact OD2-N 3.33Å; D272-R294 PolarHBondContact OD2-N 2.96Å; D272-L295 VanDerWaalsContact CG-N 3.33Å; D272-L295 WeakPolarHBondContact OD1-CA 3.46Å; D272-L295 WeakPolarHBondContact OD2-CA 3.36Å; D272-L295 PolarHBondContact OD2-N 2.81Å; D272-L296 HydrophobicContact CB-CD1 3.85Å; D272-L296 HydrophobicContact CB-CG 3.82Å; D272-L296 WeakPolarHBondContact O-CD1 3.29Å; D272-L296 PolarHBondContact OD1-N 3.15Å
273R94Very high93.3Very high84 Ų8434.9 Ų34.932%0.31718%0.182SC..  trans-79135.9165.4-56.7-173.6-173.9105-0.1109.8V268 D269 N271 T287 Q288 S289 L292V268-R273 WeakPolarHBondContact CA-O 3.3Å; D269-R273 HydrophobicContact CB-CB 4.48Å; D269-R273 PolarHBondContact N-O 2.87Å; D269-R273 WeakPolarHBondContact OD1-CB 3.2Å; D269-R273 PolarHBondContact OD1-N 2.96Å; D269-R273 WeakPolarHBondContact OD2-CD 3.17Å; D269-R273 WeakPolarHBondContact OD2-CG 3.44Å; D269-R273 IonicContact OD2-CZ 3.95Å; D269-R273 IonicContact OD2-NE 2.87Å; D269-R273 IonicContact OD2-NH1 3.79Å; D269-R273 PolarHBondContact OD2-NH1 2.81Å; N271-R273 VanDerWaalsContact C-N 3.32Å; N271-R273 PolarHBondContact ND2-NH1 2.99Å; R273-T287 HydrophobicContact CB-CG2 4.44Å; R273-Q288 WeakPolarHBondContact CA-O 3.48Å; R273-S289 WeakPolarHBondContact CD-OG 3.27Å; R273-L292 HydrophobicContact CG-CD1 3.47Å; R273-L292 VanDerWaalsContact CG-CD1 3.47Å
274V96.1Very high93.3Very high0 Ų032.1 Ų32.10%017%0.17CC..EExtended strand (participates in β ladder)trans-95.5129.9172.1-171.50000108.5L267 V268 W286 Q288 L296 L306 I318L267-V274 WeakPolarHBondContact O-CA 3.3Å; V268-V274 HydrophobicContact CG2-CG2 4.5Å; V274-W286 HydrophobicContact CB-CZ3 4.27Å; V274-W286 HydrophobicContact CG1-CH2 3.82Å; V274-W286 HydrophobicContact CG1-CZ3 3.9Å; V274-W286 WeakPolarHBondContact O-CZ3 3.34Å; V274-Q288 HydrophobicContact CB-CB 4.28Å; V274-Q288 PolarHBondContact N-O 3.02Å; V274-Q288 PolarHBondContact O-N 2.92Å; V274-L296 HydrophobicContact CG2-CD1 3.89Å; V274-L306 HydrophobicContact CG1-CD2 3.49Å; V274-L306 VanDerWaalsContact CG1-CD2 3.49Å; V274-I318 HydrophobicContact CB-CD1 4.02Å; V274-I318 HydrophobicContact CG1-CD1 3.98Å; V274-I318 HydrophobicContact CG2-CD1 3.78Å
275M95.8Very high93.4Very high20 Ų2033.2 Ų33.210%0.09918%0.18CC..EExtended strand (participates in β ladder)trans-133.6149.6-177.3-59.7177.469.100111.3Y266 L267 L277 T284 T287Y266-M275 VanDerWaalsContact CA-O 3.32Å; Y266-M275 WeakPolarHBondContact CA-O 3.05Å; L267-M275 HydrophobicContact CD1-CB 3.86Å; L267-M275 HydrophobicContact CD1-CG 4.15Å; L267-M275 HydrophobicContact CD1-SD 4.06Å; L267-M275 HydrophobicContact CG-CB 4.06Å; L267-M275 PolarHBondContact N-O 2.91Å; L267-M275 PolarHBondContact O-N 2.99Å; M275-L277 HydrophobicContact CE-CD2 4.08Å; M275-T284 HydrophobicContact CE-CG2 3.91Å; M275-T287 HydrophobicContact CG-CG2 3.9Å
276A97.3Very high93.5Very high0 Ų034.2 Ų34.20%018%0.183CC..EExtended strand (participates in β ladder)trans-113.2133.7163.100000110.2I265 Y266 L285 W286I265-A276 CarbonylContact O-C 3.59Å; I265-A276 VanDerWaalsContact O-CA 3.29Å; I265-A276 WeakPolarHBondContact O-CA 3.41Å; Y266-A276 HydrophobicContact CD1-CB 3.74Å; Y266-A276 HydrophobicContact CE1-CB 3.77Å; A276-L285 HydrophobicContact CB-CB 4.12Å; A276-L285 HydrophobicContact CB-CD1 4.37Å; A276-L285 PolarHBondContact O-N 2.81Å; A276-W286 HydrophobicContact CB-CD2 3.81Å; A276-W286 HydrophobicContact CB-CG 4.14Å; A276-W286 HydrophobicContact CB-CH2 4.37Å; A276-W286 HydrophobicContact CB-CZ2 3.63Å; A276-W286 VanDerWaalsContact CB-NE1 3.32Å; A276-W286 PolarHBondContact N-O 2.76Å
277L96.2Very high93.5Very high0 Ų037.2 Ų37.20%020%0.202CC..EExtended strand (participates in β ladder)trans-123.7158.1176.9-48.7179.6000111.2L236 L252 R264 I265 L267 M275 V283 T284L236-L277 HydrophobicContact CD2-CD1 3.73Å; L252-L277 HydrophobicContact CD1-CD1 3.53Å; L252-L277 HydrophobicContact CD2-CD1 4.22Å; R264-L277 CarbonylContact C-O 3.54Å; R264-L277 VanDerWaalsContact CA-O 3.3Å; R264-L277 WeakPolarHBondContact CA-O 3.34Å; I265-L277 HydrophobicContact CB-CB 4.29Å; I265-L277 PolarHBondContact N-O 2.98Å; I265-L277 PolarHBondContact O-N 3.14Å; L267-L277 HydrophobicContact CD2-CD1 3.59Å; L267-L277 HydrophobicContact CD2-CG 4.08Å; M275-L277 HydrophobicContact CE-CD2 4.08Å; L277-V283 CarbonylContact C-O 3.49Å; L277-V283 WeakPolarHBondContact CA-O 3.42Å; L277-T284 HydrophobicContact CD2-CG2 4.3Å; L277-T284 WeakPolarHBondContact CD2-OG1 3.43Å
278T96.3Very high93.7Very high25 Ų2538.1 Ų38.115%0.15321%0.206CC..EExtended strand (participates in β ladder)trans-75.7147.3169.2690000112D280 G282 V283 L285T278-D280 VanDerWaalsContact C-N 3.35Å; T278-D280 WeakPolarHBondContact CB-OD1 3.2Å; T278-D280 PolarHBondContact O-N 2.88Å; T278-D280 PolarHBondContact OG1-OD1 3.01Å; T278-G282 WeakPolarHBondContact O-CA 3.12Å; T278-G282 PolarHBondContact O-N 2.87Å; T278-V283 HydrophobicContact CG2-CB 4.06Å; T278-V283 PolarHBondContact N-O 2.83Å; T278-V283 PolarHBondContact OG1-N 3.27Å; T278-V283 VanDerWaalsContact OG1-N 3.11Å; T278-L285 HydrophobicContact CG2-CD1 4.35Å; T278-L285 HydrophobicContact CG2-CD2 3.67Å; T278-L285 HydrophobicContact CG2-CG 4.02Å
279I94.4Very high93.9Very high32 Ų3240.3 Ų40.316%0.16422%0.222CC..THydrogen-bonded Turntrans-72.8-23.8178.8-163169.8000114.1F228 W248 V260 N263F228-I279 HydrophobicContact CE1-CD1 4.44Å; F228-I279 HydrophobicContact CE1-CG1 3.65Å; F228-I279 HydrophobicContact CE2-CD1 3.86Å; F228-I279 HydrophobicContact CE2-CG1 3.98Å; F228-I279 HydrophobicContact CZ-CD1 3.58Å; F228-I279 HydrophobicContact CZ-CG1 3.19Å; W248-I279 WeakPolarHBondContact CZ2-O 3.34Å; W248-I279 PolarHBondContact NE1-O 2.8Å; V260-I279 HydrophobicContact CG1-CD1 3.71Å; V260-I279 HydrophobicContact CG1-CG1 4.46Å; N263-I279 HydrophobicContact CB-CG2 4.08Å; N263-I279 PolarHBondContact O-N 3.21Å
280D92.8Very high94.3Very high125 Ų12543.9 Ų43.967%0.66824%0.241SC*.THydrogen-bonded Turntrans-85.5-17.1-171.860.9-13000114.3W248 T278W248-D280 VanDerWaalsContact CD1-O 3.24Å; T278-D280 VanDerWaalsContact C-N 3.35Å; T278-D280 WeakPolarHBondContact CB-OD1 3.2Å; T278-D280 PolarHBondContact O-N 2.88Å; T278-D280 PolarHBondContact OG1-OD1 3.01Å
281G91.9Very high95Very high23 Ų2339.4 Ų39.424%0.23722%0.22CC..THydrogen-bonded Turntrans-161.92.9177.200000115.3R250R250-G281 WeakPolarHBondContact CD-O 3.41Å; R250-G281 WeakPolarHBondContact CG-O 3.4Å
282G91.8Very high95.4Very high2 Ų239.1 Ų39.12%0.02122%0.218CC..  trans66.637.1-17700000113R250 T278R250-G282 WeakPolarHBondContact CD-O 3.38Å; T278-G282 WeakPolarHBondContact O-CA 3.12Å; T278-G282 PolarHBondContact O-N 2.87Å
283V95.1Very high95.4Very high90 Ų9043 Ų4355%0.54524%0.236SC..  trans-75.2128.5175.7178.70000109.1L277 T278 L285L277-V283 CarbonylContact C-O 3.49Å; L277-V283 WeakPolarHBondContact CA-O 3.42Å; T278-V283 HydrophobicContact CG2-CB 4.06Å; T278-V283 PolarHBondContact N-O 2.83Å; T278-V283 PolarHBondContact OG1-N 3.27Å; T278-V283 VanDerWaalsContact OG1-N 3.11Å; V283-L285 PolarHBondContact O-N 2.63Å
284T95.6Very high95.4Very high69 Ų6939.1 Ų39.142%0.42322%0.221SC..EExtended strand (participates in β ladder)trans-64.4120.9177.9-51.30000111.6M275 L277 W286 T287M275-T284 HydrophobicContact CE-CG2 3.91Å; L277-T284 HydrophobicContact CD2-CG2 4.3Å; L277-T284 WeakPolarHBondContact CD2-OG1 3.43Å; T284-W286 WeakPolarHBondContact CG2-O 3.45Å; T284-T287 WeakPolarHBondContact CG2-OG1 3.48Å
285L97.6Very high95.2Very high86 Ų8644.5 Ų44.545%0.4525%0.249SC..EExtended strand (participates in β ladder)trans-85.3-45.4172.4-63.6175.1000110.6R264 A276 T278 V283R264-L285 HydrophobicContact CG-CD1 3.78Å; A276-L285 HydrophobicContact CB-CB 4.12Å; A276-L285 HydrophobicContact CB-CD1 4.37Å; A276-L285 PolarHBondContact O-N 2.81Å; T278-L285 HydrophobicContact CG2-CD1 4.35Å; T278-L285 HydrophobicContact CG2-CD2 3.67Å; T278-L285 HydrophobicContact CG2-CG 4.02Å; V283-L285 PolarHBondContact O-N 2.63Å
286W98Very high95.1Very high20 Ų2044.1 Ų44.18%0.07625%0.248CC..EExtended strand (participates in β ladder)trans-158.1166.7174.654.8-104.9000111.4Y266 V274 A276 T284 Q288 L306 I318 V320 G323Y266-W286 HydrophobicContact CD1-CH2 4.37Å; Y266-W286 AromaticContact CD1-CZ2 3.86Å; Y266-W286 HydrophobicContact CD1-CZ2 3.86Å; Y266-W286 AromaticContact CE1-CZ2 3.86Å; Y266-W286 HydrophobicContact CE1-CZ2 3.86Å; V274-W286 HydrophobicContact CB-CZ3 4.27Å; V274-W286 HydrophobicContact CG1-CH2 3.82Å; V274-W286 HydrophobicContact CG1-CZ3 3.9Å; V274-W286 WeakPolarHBondContact O-CZ3 3.34Å; A276-W286 HydrophobicContact CB-CD2 3.81Å; A276-W286 HydrophobicContact CB-CG 4.14Å; A276-W286 HydrophobicContact CB-CH2 4.37Å; A276-W286 HydrophobicContact CB-CZ2 3.63Å; A276-W286 VanDerWaalsContact CB-NE1 3.32Å; A276-W286 PolarHBondContact N-O 2.76Å; T284-W286 WeakPolarHBondContact CG2-O 3.45Å; W286-Q288 HydrophobicContact CZ3-CB 4.21Å; W286-L306 HydrophobicContact CH2-CD2 3.98Å; W286-I318 HydrophobicContact CH2-CG2 3.9Å; W286-I318 HydrophobicContact CZ2-CG2 4.46Å; W286-I318 HydrophobicContact CZ3-CG2 4.32Å; W286-V320 PolarHBondContact NE1-O 3.2Å; W286-G323 VanDerWaalsContact CE3-CA 3.43Å
287T97.1Very high95Very high65 Ų6544.2 Ų44.240%0.39925%0.248SC..EExtended strand (participates in β ladder)trans-143.8134.9176.3-60.90000110.3R273 M275 T284R273-T287 HydrophobicContact CB-CG2 4.44Å; M275-T287 HydrophobicContact CG-CG2 3.9Å; T284-T287 WeakPolarHBondContact CG2-OG1 3.48Å
288Q97.3Very high94.9Very high19 Ų1944.8 Ų44.89%0.08925%0.252CS..EExtended strand (participates in β ladder)trans-117.4121.5176.9172.951.8-90.300109R273 V274 W286 D290 I318 G323 F325R273-Q288 WeakPolarHBondContact CA-O 3.48Å; V274-Q288 HydrophobicContact CB-CB 4.28Å; V274-Q288 PolarHBondContact N-O 3.02Å; V274-Q288 PolarHBondContact O-N 2.92Å; W286-Q288 HydrophobicContact CZ3-CB 4.21Å; Q288-D290 PolarHBondContact OE1-OD2 3.34Å; Q288-I318 HydrophobicContact CG-CD1 4.48Å; Q288-G323 WeakPolarHBondContact CB-O 3.5Å; Q288-G323 WeakPolarHBondContact CG-O 3.37Å; Q288-G323 PolarHBondContact NE2-O 3.11Å; Q288-F325 HydrophobicContact CG-CE2 4.45Å; Q288-F325 HydrophobicContact CG-CZ 4.08Å
289S96.4Very high94.9Very high46 Ų4643.7 Ų43.732%0.32225%0.245SC..  trans-119.32.9-173.8-62.90000114.3R273 L291 L292R273-S289 WeakPolarHBondContact CD-OG 3.27Å; S289-L291 PolarHBondContact O-N 2.92Å; S289-L292 WeakPolarHBondContact O-CB 3.48Å; S289-L292 PolarHBondContact O-N 2.85Å
290D97.1Very high95Very high79 Ų7943.2 Ų43.242%0.42224%0.244SC..THydrogen-bonded Turntrans-67.8-21.3-178.9-66.4-13.1000112.1S2 P5 Q288 F325S2-D290 WeakPolarHBondContact CB-O 3.29Å; P5-D290 HydrophobicContact CB-CB 4.11Å; P5-D290 HydrophobicContact CG-CB 4.07Å; Q288-D290 PolarHBondContact OE1-OD2 3.34Å; D290-F325 HydrophobicContact CB-CE2 3.68Å; D290-F325 HydrophobicContact CB-CZ 3.97Å
291L95.9Very high95.2Very high0 Ų039.8 Ų39.80%023%0.225CC..THydrogen-bonded Turntrans-92.520.7176.6-54.5-176.4000114.1P5 D272 S289 H293 R294 L296 V308 H316 F325P5-L291 HydrophobicContact CG-CD2 4.14Å; D272-L291 WeakPolarHBondContact CB-O 3.43Å; S289-L291 PolarHBondContact O-N 2.92Å; L291-H293 PolarHBondContact O-N 2.63Å; L291-R294 HydrophobicContact CB-CG 4.33Å; L291-R294 WeakPolarHBondContact O-CB 3.42Å; L291-R294 WeakPolarHBondContact O-CG 3.39Å; L291-R294 PolarHBondContact O-N 2.87Å; L291-L296 HydrophobicContact CB-CD1 4Å; L291-L296 HydrophobicContact CB-CD2 4.23Å; L291-L296 HydrophobicContact CD1-CD1 3.88Å; L291-L296 HydrophobicContact CD1-CD2 3.84Å; L291-V308 HydrophobicContact CD1-CG2 4.03Å; L291-H316 HydrophobicContact CD1-CB 4.09Å; L291-F325 HydrophobicContact CD1-CE1 3.97Å; L291-F325 HydrophobicContact CD1-CZ 4.25Å; L291-F325 HydrophobicContact CD2-CE1 3.9Å; L291-F325 HydrophobicContact CD2-CZ 3.68Å; L291-F325 HydrophobicContact CG-CE1 3.95Å; L291-F325 HydrophobicContact CG-CZ 3.73Å
292L94.3Very high95.5Very high33 Ų3339.6 Ų39.617%0.17322%0.218CC..THydrogen-bonded Turntrans-56.3129.7-174.3-147.477.6000113.1M1 S2 N271 R273 S289 R294M1-L292 CarbonylContact C-O 3.54Å; M1-L292 VanDerWaalsContact CA-O 3.29Å; M1-L292 WeakPolarHBondContact CA-O 3.5Å; S2-L292 PolarHBondContact N-O 3.2Å; S2-L292 VanDerWaalsContact OG-CB 3.24Å; S2-L292 WeakPolarHBondContact OG-CB 3.24Å; N271-L292 HydrophobicContact CB-CD1 3.69Å; N271-L292 HydrophobicContact CB-CG 4.15Å; N271-L292 CarbonylContact O-C 3.45Å; N271-L292 WeakPolarHBondContact O-CA 3.33Å; N271-L292 WeakPolarHBondContact O-CD1 3.4Å; N271-L292 VanDerWaalsContact O-CG 3.27Å; N271-L292 WeakPolarHBondContact O-CG 3.43Å; R273-L292 HydrophobicContact CG-CD1 3.47Å; R273-L292 VanDerWaalsContact CG-CD1 3.47Å; S289-L292 WeakPolarHBondContact O-CB 3.48Å; S289-L292 PolarHBondContact O-N 2.85Å; L292-R294 VanDerWaalsContact C-N 3.31Å; L292-R294 PolarHBondContact O-N 2.99Å
293H91.9Very high95.7Very high84 Ų8443.5 Ų43.539%0.38924%0.238SC..THydrogen-bonded Turntrans55.537.6179.5-47.6-67.4000114.3M1 N271 D272 L291M1-H293 HydrophobicContact CB-CB 4.45Å; M1-H293 VanDerWaalsContact CB-O 3.29Å; M1-H293 WeakPolarHBondContact CB-O 3.48Å; M1-H293 WeakPolarHBondContact CG-O 3.38Å; N271-H293 PolarHBondContact O-N 3.47Å; N271-H293 PolarHBondContact OD1-CE1 3.43Å; N271-H293 VanDerWaalsContact OD1-CE1 3.26Å; D272-H293 WeakPolarHBondContact OD2-CA 3.36Å; D272-H293 PolarHBondContact OD2-N 3.33Å; L291-H293 PolarHBondContact O-N 2.63Å
294R94.2Very high95.7Very high3 Ų341.8 Ų41.81%0.01124%0.239CC..SBendtrans-92.9-3.7176-64.8-167.964.974.28.9114.2M1 D272 L291 L292 L296 D310 S311 E312M1-R294 HydrophobicContact CE-CB 3.81Å; M1-R294 HydrophobicContact CE-CG 3.65Å; M1-R294 HydrophobicContact CG-CG 3.83Å; M1-R294 HydrophobicContact SD-CG 4.44Å; D272-R294 PolarHBondContact OD2-N 2.96Å; L291-R294 HydrophobicContact CB-CG 4.33Å; L291-R294 WeakPolarHBondContact O-CB 3.42Å; L291-R294 WeakPolarHBondContact O-CG 3.39Å; L291-R294 PolarHBondContact O-N 2.87Å; L292-R294 VanDerWaalsContact C-N 3.31Å; L292-R294 PolarHBondContact O-N 2.99Å; R294-L296 HydrophobicContact CB-CD2 4.16Å; R294-D310 HydrophobicContact CB-CB 4.29Å; R294-D310 IonicContact CZ-OD2 3.92Å; R294-D310 VanDerWaalsContact CZ-OD2 3.25Å; R294-D310 IonicContact NE-OD2 3.02Å; R294-D310 PolarHBondContact NE-OD2 3.31Å; R294-D310 IonicContact NH2-OD1 3.69Å; R294-D310 IonicContact NH2-OD2 2.66Å; R294-D310 PolarHBondContact NH2-OD2 2.86Å; R294-S311 PolarHBondContact O-N 3.14Å; R294-S311 PolarHBondContact O-OG 2.99Å; R294-E312 IonicContact CZ-OE2 3.59Å; R294-E312 IonicContact NH1-OE2 2.76Å; R294-E312 PolarHBondContact NH1-OE2 3.26Å; R294-E312 IonicContact NH2-OE2 3.3Å; R294-E312 PolarHBondContact NH2-OE2 3.37Å
295L92.4Very high95.8Very high113 Ų11339.2 Ų39.259%0.59222%0.223SC*.  trans56.274.8-173.9-51.4172.7000110.4D272 D310 S311D272-L295 VanDerWaalsContact CG-N 3.33Å; D272-L295 WeakPolarHBondContact OD1-CA 3.46Å; D272-L295 WeakPolarHBondContact OD2-CA 3.36Å; D272-L295 PolarHBondContact OD2-N 2.81Å; L295-D310 WeakPolarHBondContact O-CA 3.41Å; L295-S311 WeakPolarHBondContact CB-OG 3.29Å; L295-S311 PolarHBondContact O-N 3.17Å
296L94.7Very high95.8Very high13 Ų1335.1 Ų35.17%0.06820%0.201CC..BIsolated β-bridgetrans-78.2153.8-177.5-59.2178.2000111.8V268 D272 V274 L291 R294 V308 G309 D310V268-L296 HydrophobicContact CG1-CB 3.94Å; V268-L296 HydrophobicContact CG1-CD1 4.1Å; V268-L296 HydrophobicContact CG2-CD1 4.47Å; D272-L296 HydrophobicContact CB-CD1 3.85Å; D272-L296 HydrophobicContact CB-CG 3.82Å; D272-L296 WeakPolarHBondContact O-CD1 3.29Å; D272-L296 PolarHBondContact OD1-N 3.15Å; V274-L296 HydrophobicContact CG2-CD1 3.89Å; L291-L296 HydrophobicContact CB-CD1 4Å; L291-L296 HydrophobicContact CB-CD2 4.23Å; L291-L296 HydrophobicContact CD1-CD1 3.88Å; L291-L296 HydrophobicContact CD1-CD2 3.84Å; R294-L296 HydrophobicContact CB-CD2 4.16Å; L296-V308 HydrophobicContact CD1-CG2 4.31Å; L296-V308 HydrophobicContact CD2-CG2 4.3Å; L296-G309 CarbonylContact C-O 3.53Å; L296-G309 VanDerWaalsContact CA-O 3.23Å; L296-G309 WeakPolarHBondContact CA-O 3.45Å; L296-D310 HydrophobicContact CD2-CB 3.72Å
297T94.4Very high95.8Very high1 Ų134.2 Ų34.21%0.00620%0.198CC..PPolyproline II helixtrans-76.6171165.868.90000110.9G309 F336 T338 P340 I349T297-G309 PolarHBondContact N-O 2.79Å; T297-G309 PolarHBondContact OG1-N 2.83Å; T297-F336 HydrophobicContact CG2-CB 3.71Å; T297-T338 WeakPolarHBondContact CG2-O 3.45Å; T297-P340 WeakPolarHBondContact OG1-CD 3.29Å; T297-I349 HydrophobicContact CG2-CD1 4.42Å
298S93.3Very high95.9Very high13 Ų1331.1 Ų31.19%0.09118%0.179CC..PPolyproline II helixtrans-54.3143.5167.2-36.60000111.5D257 P340D257-S298 WeakPolarHBondContact OD1-CB 3.29Å; D257-S298 PolarHBondContact OD1-OG 2.94Å; D257-S298 PolarHBondContact OD2-OG 2.83Å; S298-P340 VanDerWaalsContact O-CD 3.3Å; S298-P340 WeakPolarHBondContact O-CD 3.27Å; S298-P340 VanDerWaalsContact O-CG 3.29Å; S298-P340 WeakPolarHBondContact O-CG 3.34Å
299P96.4Very high95.9Very high1 Ų130.2 Ų30.21%0.00617%0.174CC..PPolyproline II helixtrans-79140.9179.230.7-32.6000111.9I259 V268 L306 V308I259-P299 HydrophobicContact CG1-CG 4.26Å; I259-P299 WeakPolarHBondContact CG2-O 3.04Å; V268-P299 HydrophobicContact CG2-CB 4.49Å; V268-P299 HydrophobicContact CG2-CG 4.31Å; P299-L306 HydrophobicContact CB-CD1 3.89Å; P299-L306 HydrophobicContact CB-CG 4.26Å; P299-V308 HydrophobicContact CB-CG1 3.92Å
300V97.4Very high95.9Very high23 Ų2328 Ų2814%0.13916%0.159CC..EExtended strand (participates in β ladder)trans-132.2157.4169.9-66.90000112.2L306 V307 P340 A342 L347V300-L306 CarbonylContact O-C 3.58Å; V300-L306 WeakPolarHBondContact O-CA 3.48Å; V300-V307 HydrophobicContact CG2-CB 4.14Å; V300-V307 PolarHBondContact N-O 2.89Å; V300-V307 PolarHBondContact O-N 3.04Å; V300-P340 HydrophobicContact CB-CG 4.42Å; V300-P340 HydrophobicContact CG1-CG 4.02Å; V300-P340 VanDerWaalsContact CG1-O 3.23Å; V300-P340 WeakPolarHBondContact CG1-O 3.34Å; V300-P340 HydrophobicContact CG2-CB 3.88Å; V300-P340 HydrophobicContact CG2-CG 3.66Å; V300-A342 HydrophobicContact CB-CB 4.09Å; V300-A342 HydrophobicContact CG2-CB 4.02Å; V300-L347 HydrophobicContact CG2-CD1 4.06Å
301L97.6Very high95.8Very high52 Ų5225.4 Ų25.427%0.27215%0.147SC..EExtended strand (participates in β ladder)trans-95.5125.4172.4-69.9170.9000110.3I259 D261 Y266 N305 L306 V320 A342I259-L301 HydrophobicContact CD1-CD1 4.35Å; I259-L301 HydrophobicContact CD1-CG 3.9Å; D261-L301 HydrophobicContact CB-CD1 3.45Å; D261-L301 VanDerWaalsContact CB-CD1 3.45Å; D261-L301 VanDerWaalsContact OD2-CD1 3.26Å; D261-L301 WeakPolarHBondContact OD2-CD1 3.22Å; Y266-L301 HydrophobicContact CE2-CD1 4.21Å; Y266-L301 HydrophobicContact CE2-CD2 4.19Å; L301-N305 WeakPolarHBondContact CA-O 3.39Å; L301-L306 HydrophobicContact CD2-CB 4.36Å; L301-L306 HydrophobicContact CD2-CD1 3.94Å; L301-L306 HydrophobicContact CG-CD1 4.43Å; L301-V320 HydrophobicContact CD2-CG1 3.62Å; L301-A342 VanDerWaalsContact O-CB 3.3Å; L301-A342 WeakPolarHBondContact O-CB 3.5Å
302Y97.6Very high95.8Very high19 Ų1929 Ų298%0.07516%0.164CC..EExtended strand (participates in β ladder)trans-138.6125175.6-176.3-113.5000110.9G304 N305 A342 G345 K346 L347Y302-G304 PolarHBondContact O-N 3.33Å; Y302-G304 VanDerWaalsContact O-N 3.15Å; Y302-N305 PolarHBondContact N-O 2.75Å; Y302-N305 PolarHBondContact O-N 2.84Å; Y302-N305 VanDerWaalsContact O-N 3.08Å; Y302-A342 HydrophobicContact CD2-CB 4.3Å; Y302-G345 WeakPolarHBondContact CE2-O 3.31Å; Y302-G345 PolarHBondContact OH-O 2.86Å; Y302-K346 VanDerWaalsContact CE2-C 3.48Å; Y302-L347 HydrophobicContact CD1-CB 3.8Å; Y302-L347 HydrophobicContact CD1-CD2 3.91Å; Y302-L347 HydrophobicContact CD1-CG 4.43Å; Y302-L347 HydrophobicContact CD2-CB 3.88Å; Y302-L347 HydrophobicContact CE1-CB 3.83Å; Y302-L347 HydrophobicContact CE1-CD2 4.45Å; Y302-L347 HydrophobicContact CE2-CB 3.94Å; Y302-L347 HydrophobicContact CG-CB 3.82Å; Y302-L347 HydrophobicContact CG-CD2 4.27Å; Y302-L347 HydrophobicContact CG-CG 4.46Å
303N95.6Very high95.9Very high84 Ų8427.5 Ų27.545%0.44916%0.156SC..THydrogen-bonded Turntrans48.341.3-179.1-70.7-19.9000113.8N305N303-N305 PolarHBondContact O-ND2 2.81Å
304G95.2Very high96.2Very high55 Ų5526 Ų2657%0.56715%0.147SC*.THydrogen-bonded Turntrans80.55.9176.500000115.8Y302Y302-G304 PolarHBondContact O-N 3.33Å; Y302-G304 VanDerWaalsContact O-N 3.15Å
305N97.8Very high96.4Very high15 Ų1525.9 Ų25.98%0.0815%0.147CC..EExtended strand (participates in β ladder)trans-118.8152.8175.8-59.1-70.9000110.6L301 Y302 N303 W317 V326L301-N305 WeakPolarHBondContact CA-O 3.39Å; Y302-N305 PolarHBondContact N-O 2.75Å; Y302-N305 PolarHBondContact O-N 2.84Å; Y302-N305 VanDerWaalsContact O-N 3.08Å; N303-N305 PolarHBondContact O-ND2 2.81Å; N305-W317 HydrophobicContact CB-CB 4.35Å; N305-V326 HydrophobicContact CB-CG2 4.34Å; N305-V326 WeakPolarHBondContact OD1-CG2 3.41Å
306L98.2Very high96.7Very high0 Ų020.5 Ų20.50%012%0.119CC..EExtended strand (participates in β ladder)trans-79.2133.1169.6-167.571.2000108.9I259 Y266 V274 W286 P299 V300 L301 W317 I318 V320I259-L306 HydrophobicContact CD1-CD1 3.88Å; Y266-L306 HydrophobicContact CD1-CD1 4.32Å; Y266-L306 HydrophobicContact CD1-CD2 4.02Å; Y266-L306 HydrophobicContact CD2-CD1 4.05Å; Y266-L306 HydrophobicContact CG-CD1 3.79Å; Y266-L306 HydrophobicContact CG-CD2 4.16Å; V274-L306 HydrophobicContact CG1-CD2 3.49Å; V274-L306 VanDerWaalsContact CG1-CD2 3.49Å; W286-L306 HydrophobicContact CH2-CD2 3.98Å; P299-L306 HydrophobicContact CB-CD1 3.89Å; P299-L306 HydrophobicContact CB-CG 4.26Å; V300-L306 CarbonylContact O-C 3.58Å; V300-L306 WeakPolarHBondContact O-CA 3.48Å; L301-L306 HydrophobicContact CD2-CB 4.36Å; L301-L306 HydrophobicContact CD2-CD1 3.94Å; L301-L306 HydrophobicContact CG-CD1 4.43Å; L306-W317 CarbonylContact O-C 3.55Å; L306-W317 WeakPolarHBondContact O-CA 3.42Å; L306-I318 HydrophobicContact CB-CB 4.22Å; L306-I318 PolarHBondContact N-O 3.4Å; L306-I318 PolarHBondContact O-N 2.84Å; L306-V320 HydrophobicContact CB-CG1 4.32Å
307V98.3Very high96.8Very high0 Ų020 Ų200%012%0.116CC..EExtended strand (participates in β ladder)trans-124.2132-176.9-172.10000110V300 H316 W317 L347V300-V307 HydrophobicContact CG2-CB 4.14Å; V300-V307 PolarHBondContact N-O 2.89Å; V300-V307 PolarHBondContact O-N 3.04Å; V307-H316 WeakPolarHBondContact CA-O 3.5Å; V307-W317 VanDerWaalsContact CG2-CD1 3.41Å; V307-W317 HydrophobicContact CG2-CG 4.13Å; V307-L347 HydrophobicContact CG1-CD2 3.92Å; V307-L347 HydrophobicContact CG2-CD2 4.48Å
308V97.9Very high97Very high0 Ų019.9 Ų19.90%012%0.115CC..EExtended strand (participates in β ladder)trans-134.6142.1172.1-68.10000109.3V268 L291 L296 P299 L315 H316 I318V268-V308 HydrophobicContact CG2-CG1 4.15Å; L291-V308 HydrophobicContact CD1-CG2 4.03Å; L296-V308 HydrophobicContact CD1-CG2 4.31Å; L296-V308 HydrophobicContact CD2-CG2 4.3Å; P299-V308 HydrophobicContact CB-CG1 3.92Å; V308-L315 WeakPolarHBondContact O-CA 3.47Å; V308-H316 HydrophobicContact CG2-CB 3.93Å; V308-H316 PolarHBondContact N-O 2.92Å; V308-H316 VanDerWaalsContact N-O 3.14Å; V308-H316 PolarHBondContact O-N 3.06Å; V308-I318 HydrophobicContact CG2-CD1 4.38Å
309G97.3Very high97.3Very high0 Ų020.6 Ų20.60%012%0.118CC..EExtended strand (participates in β ladder)trans-94.9168.3166.400000111.5L296 T297 Y314L296-G309 CarbonylContact C-O 3.53Å; L296-G309 VanDerWaalsContact CA-O 3.23Å; L296-G309 WeakPolarHBondContact CA-O 3.45Å; T297-G309 PolarHBondContact N-O 2.79Å; T297-G309 PolarHBondContact OG1-N 2.83Å; G309-Y314 CarbonylContact C-O 3.51Å; G309-Y314 VanDerWaalsContact CA-O 3.25Å; G309-Y314 WeakPolarHBondContact CA-O 3.43Å
310D96.3Very high97.3Very high0 Ų021.5 Ų21.50%012%0.124CC..BIsolated β-bridgetrans-133.9164.2173.275.222.5000113.6R294 L295 L296 E312 G313 Y314 H316 F336R294-D310 HydrophobicContact CB-CB 4.29Å; R294-D310 IonicContact CZ-OD2 3.92Å; R294-D310 VanDerWaalsContact CZ-OD2 3.25Å; R294-D310 IonicContact NE-OD2 3.02Å; R294-D310 PolarHBondContact NE-OD2 3.31Å; R294-D310 IonicContact NH2-OD1 3.69Å; R294-D310 IonicContact NH2-OD2 2.66Å; R294-D310 PolarHBondContact NH2-OD2 2.86Å; L295-D310 WeakPolarHBondContact O-CA 3.41Å; L296-D310 HydrophobicContact CD2-CB 3.72Å; D310-E312 PolarHBondContact O-N 3.46Å; D310-E312 VanDerWaalsContact O-N 3.14Å; D310-E312 WeakPolarHBondContact OD1-CA 3.23Å; D310-E312 WeakPolarHBondContact OD1-CB 3.26Å; D310-E312 PolarHBondContact OD1-N 2.75Å; D310-G313 PolarHBondContact O-N 2.96Å; D310-G313 PolarHBondContact OD1-N 3.26Å; D310-Y314 PolarHBondContact N-O 2.81Å; D310-Y314 PolarHBondContact OD1-N 3.4Å; D310-H316 IonicContact OD2-CD2 3.65Å; D310-H316 IonicContact OD2-CE1 4Å; D310-H316 IonicContact OD2-NE2 2.72Å; D310-H316 PolarHBondContact OD2-NE2 2.96Å; D310-F336 PolarHBondContact O-N 3.39Å
311S94.4Very high97.3Very high24 Ų2426 Ų2617%0.16814%0.143CC..THydrogen-bonded Turntrans-65.4-11179.267.10000115.2R294 L295 G335 F336R294-S311 PolarHBondContact O-N 3.14Å; R294-S311 PolarHBondContact O-OG 2.99Å; L295-S311 WeakPolarHBondContact CB-OG 3.29Å; L295-S311 PolarHBondContact O-N 3.17Å; S311-G335 VanDerWaalsContact O-CA 3.27Å; S311-G335 WeakPolarHBondContact O-CA 3.39Å; S311-F336 WeakPolarHBondContact CA-O 3.37Å
312E96Very high97.3Very high77 Ų7727.2 Ų27.236%0.3615%0.15SC..THydrogen-bonded Turntrans-90.3-10.4170.5-79.1-176.6175.400111.6M1 R294 D310 Y314 K330M1-E312 HydrophobicContact CE-CB 4.48Å; M1-E312 HydrophobicContact CE-CG 3.64Å; M1-E312 WeakPolarHBondContact CE-OE1 3.41Å; M1-E312 WeakPolarHBondContact CE-OE2 3.49Å; R294-E312 IonicContact CZ-OE2 3.59Å; R294-E312 IonicContact NH1-OE2 2.76Å; R294-E312 PolarHBondContact NH1-OE2 3.26Å; R294-E312 IonicContact NH2-OE2 3.3Å; R294-E312 PolarHBondContact NH2-OE2 3.37Å; D310-E312 PolarHBondContact O-N 3.46Å; D310-E312 VanDerWaalsContact O-N 3.14Å; D310-E312 WeakPolarHBondContact OD1-CA 3.23Å; D310-E312 WeakPolarHBondContact OD1-CB 3.26Å; D310-E312 PolarHBondContact OD1-N 2.75Å; E312-Y314 HydrophobicContact CB-CD2 3.97Å; E312-Y314 HydrophobicContact CB-CE2 4.2Å; E312-K330 WeakPolarHBondContact O-CE 3.46Å; E312-K330 PolarHBondContact O-NZ 2.78Å
313G97.4Very high97.3Very high0 Ų026.4 Ų26.40%015%0.147CC..SBendtrans96.116177.100000115.6D310 V331 D332 F336D310-G313 PolarHBondContact O-N 2.96Å; D310-G313 PolarHBondContact OD1-N 3.26Å; G313-V331 PolarHBondContact O-N 2.96Å; G313-D332 WeakPolarHBondContact CA-O 3.48Å; G313-D332 PolarHBondContact O-N 3.49Å; G313-F336 WeakPolarHBondContact O-CE2 3.35Å
314Y98Very high97.4Very high52 Ų5227.2 Ų27.220%0.20414%0.144CC..EExtended strand (participates in β ladder)trans-87.4146.8170.6-67.2-94.9000110.4L4 G309 D310 E312 H316 Q328 Q329 K330L4-Y314 HydrophobicContact CD1-CD1 3.98Å; L4-Y314 HydrophobicContact CD1-CD2 4.08Å; L4-Y314 HydrophobicContact CD1-CE1 4.16Å; L4-Y314 HydrophobicContact CD1-CE2 4.24Å; L4-Y314 HydrophobicContact CD1-CG 3.94Å; L4-Y314 HydrophobicContact CD2-CD1 4.02Å; L4-Y314 HydrophobicContact CD2-CE1 3.37Å; L4-Y314 HydrophobicContact CD2-CE2 4.12Å; L4-Y314 VanDerWaalsContact CD2-CZ 3.43Å; L4-Y314 HydrophobicContact CG-CE1 4.42Å; G309-Y314 CarbonylContact C-O 3.51Å; G309-Y314 VanDerWaalsContact CA-O 3.25Å; G309-Y314 WeakPolarHBondContact CA-O 3.43Å; D310-Y314 PolarHBondContact N-O 2.81Å; D310-Y314 PolarHBondContact OD1-N 3.4Å; E312-Y314 HydrophobicContact CB-CD2 3.97Å; E312-Y314 HydrophobicContact CB-CE2 4.2Å; Y314-H316 WeakPolarHBondContact CB-NE2 3.36Å; Y314-Q328 HydrophobicContact CD1-CG 4.32Å; Y314-Q329 CarbonylContact C-O 3.57Å; Y314-Q329 VanDerWaalsContact CA-O 3.22Å; Y314-Q329 WeakPolarHBondContact CA-O 3.49Å; Y314-K330 HydrophobicContact CD1-CB 3.96Å; Y314-K330 HydrophobicContact CD1-CD 4.15Å; Y314-K330 HydrophobicContact CD2-CD 3.97Å; Y314-K330 HydrophobicContact CE1-CB 3.66Å; Y314-K330 HydrophobicContact CE1-CD 3.93Å; Y314-K330 HydrophobicContact CE1-CG 4.28Å; Y314-K330 HydrophobicContact CE2-CD 3.75Å; Y314-K330 HydrophobicContact CG-CD 4.17Å
315L98.2Very high97.5Very high1 Ų125.8 Ų25.81%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-106.7138.4161.2-66.4-177.2000108.8V308 W317 Q328 Q329 V331 F336 I349 I359V308-L315 WeakPolarHBondContact O-CA 3.47Å; L315-W317 HydrophobicContact CB-CE3 4.32Å; L315-W317 HydrophobicContact CB-CH2 3.44Å; L315-W317 VanDerWaalsContact CB-CH2 3.44Å; L315-W317 HydrophobicContact CB-CZ2 4.32Å; L315-W317 HydrophobicContact CB-CZ3 3.43Å; L315-W317 VanDerWaalsContact CB-CZ3 3.43Å; L315-W317 HydrophobicContact CD1-CH2 3.9Å; L315-W317 HydrophobicContact CD1-CZ2 4.36Å; L315-W317 HydrophobicContact CG-CH2 4.33Å; L315-W317 VanDerWaalsContact O-CZ3 3.26Å; L315-W317 WeakPolarHBondContact O-CZ3 3.42Å; L315-Q328 WeakPolarHBondContact O-CA 3.26Å; L315-Q329 PolarHBondContact N-O 3.37Å; L315-Q329 PolarHBondContact O-N 2.91Å; L315-V331 HydrophobicContact CD1-CG2 3.85Å; L315-V331 HydrophobicContact CG-CG2 3.95Å; L315-F336 HydrophobicContact CD2-CD2 4.11Å; L315-F336 HydrophobicContact CD2-CE2 3.98Å; L315-F336 HydrophobicContact CG-CE2 4.15Å; L315-I349 HydrophobicContact CD1-CG2 4.49Å; L315-I349 HydrophobicContact CD2-CD1 3.66Å; L315-I359 HydrophobicContact CD1-CB 4.45Å; L315-I359 HydrophobicContact CD1-CD1 3.92Å; L315-I359 HydrophobicContact CD1-CG1 3.63Å; L315-I359 HydrophobicContact CD1-CG2 4.25Å
316H98.2Very high97.5Very high0 Ų025.1 Ų25.10%012%0.119CC..EExtended strand (participates in β ladder)trans-123.3127.2-177-52.3-79.3000109.3L291 V307 V308 D310 Y314 F325 Q328L291-H316 HydrophobicContact CD1-CB 4.09Å; V307-H316 WeakPolarHBondContact CA-O 3.5Å; V308-H316 HydrophobicContact CG2-CB 3.93Å; V308-H316 PolarHBondContact N-O 2.92Å; V308-H316 VanDerWaalsContact N-O 3.14Å; V308-H316 PolarHBondContact O-N 3.06Å; D310-H316 IonicContact OD2-CD2 3.65Å; D310-H316 IonicContact OD2-CE1 4Å; D310-H316 IonicContact OD2-NE2 2.72Å; D310-H316 PolarHBondContact OD2-NE2 2.96Å; Y314-H316 WeakPolarHBondContact CB-NE2 3.36Å; H316-F325 HydrophobicContact CB-CD1 4.36Å; H316-F325 HydrophobicContact CB-CE1 4.16Å; H316-Q328 PolarHBondContact ND1-OE1 3.24Å
317W98.3Very high97.5Very high2 Ų225.1 Ų25.11%0.00812%0.119CC..EExtended strand (participates in β ladder)trans-105.4123.9173.3-68.6-105.1000109F11 P13 N305 L306 V307 L315 F325 V326 A327 Q329 L347 I359F11-W317 AromaticContact CE2-CD1 3.96Å; F11-W317 HydrophobicContact CE2-CD2 4.2Å; F11-W317 HydrophobicContact CE2-CG 4.02Å; F11-W317 HydrophobicContact CZ-CB 3.83Å; F11-W317 AromaticContact CZ-CD1 3.55Å; F11-W317 HydrophobicContact CZ-CD2 4.24Å; F11-W317 AromaticContact CZ-CG 3.59Å; F11-W317 HydrophobicContact CZ-CG 3.59Å; P13-W317 HydrophobicContact CB-CE3 4.44Å; P13-W317 HydrophobicContact CB-CH2 3.37Å; P13-W317 HydrophobicContact CB-CZ2 3.55Å; P13-W317 HydrophobicContact CB-CZ3 3.86Å; P13-W317 HydrophobicContact CG-CE3 4.02Å; P13-W317 HydrophobicContact CG-CH2 3.61Å; P13-W317 HydrophobicContact CG-CZ2 4.16Å; P13-W317 HydrophobicContact CG-CZ3 3.54Å; N305-W317 HydrophobicContact CB-CB 4.35Å; L306-W317 CarbonylContact O-C 3.55Å; L306-W317 WeakPolarHBondContact O-CA 3.42Å; V307-W317 VanDerWaalsContact CG2-CD1 3.41Å; V307-W317 HydrophobicContact CG2-CG 4.13Å; L315-W317 HydrophobicContact CB-CE3 4.32Å; L315-W317 HydrophobicContact CB-CH2 3.44Å; L315-W317 VanDerWaalsContact CB-CH2 3.44Å; L315-W317 HydrophobicContact CB-CZ2 4.32Å; L315-W317 HydrophobicContact CB-CZ3 3.43Å; L315-W317 VanDerWaalsContact CB-CZ3 3.43Å; L315-W317 HydrophobicContact CD1-CH2 3.9Å; L315-W317 HydrophobicContact CD1-CZ2 4.36Å; L315-W317 HydrophobicContact CG-CH2 4.33Å; L315-W317 VanDerWaalsContact O-CZ3 3.26Å; L315-W317 WeakPolarHBondContact O-CZ3 3.42Å; W317-F325 CarbonylContact O-C 3.56Å; W317-F325 WeakPolarHBondContact O-CA 3.45Å; W317-V326 HydrophobicContact CB-CG2 3.58Å; W317-V326 WeakPolarHBondContact O-CG2 3.35Å; W317-V326 PolarHBondContact O-N 3.07Å; W317-A327 HydrophobicContact CB-CB 4.06Å; W317-A327 HydrophobicContact CD2-CB 4.19Å; W317-A327 HydrophobicContact CE3-CB 4.01Å; W317-A327 HydrophobicContact CG-CB 4.24Å; W317-A327 PolarHBondContact N-O 3.12Å; W317-A327 PolarHBondContact O-N 3.02Å; W317-Q329 HydrophobicContact CH2-CB 3.97Å; W317-Q329 HydrophobicContact CZ3-CB 3.72Å; W317-L347 HydrophobicContact CZ2-CD2 4.27Å; W317-I359 HydrophobicContact CH2-CG2 4.05Å; W317-I359 HydrophobicContact CZ2-CG2 3.72Å
318I98.4Very high97.5Very high0 Ų026.3 Ų26.30%012%0.124CC..EExtended strand (participates in β ladder)trans-116.8134.6-174.6-64.1169.7000108.8V274 W286 Q288 L306 V308 V320 G323 R324 F325V274-I318 HydrophobicContact CB-CD1 4.02Å; V274-I318 HydrophobicContact CG1-CD1 3.98Å; V274-I318 HydrophobicContact CG2-CD1 3.78Å; W286-I318 HydrophobicContact CH2-CG2 3.9Å; W286-I318 HydrophobicContact CZ2-CG2 4.46Å; W286-I318 HydrophobicContact CZ3-CG2 4.32Å; Q288-I318 HydrophobicContact CG-CD1 4.48Å; L306-I318 HydrophobicContact CB-CB 4.22Å; L306-I318 PolarHBondContact N-O 3.4Å; L306-I318 PolarHBondContact O-N 2.84Å; V308-I318 HydrophobicContact CG2-CD1 4.38Å; I318-V320 PolarHBondContact O-N 2.73Å; I318-G323 WeakPolarHBondContact CG2-O 3.3Å; I318-R324 WeakPolarHBondContact CA-O 3.45Å; I318-F325 HydrophobicContact CD1-CE1 4.29Å; I318-F325 HydrophobicContact CG1-CD1 3.97Å; I318-F325 HydrophobicContact CG1-CE1 4.04Å
319N98.1Very high97.4Very high27 Ų2727.7 Ų27.714%0.14413%0.131CC..EExtended strand (participates in β ladder)trans-66.9126.8174.9-169.6-72.5000110E321 D322 G323 R324 V326N319-E321 PolarHBondContact O-N 3.45Å; N319-E321 VanDerWaalsContact OD1-CB 3.29Å; N319-E321 WeakPolarHBondContact OD1-CB 3.45Å; N319-E321 PolarHBondContact OD1-N 2.91Å; N319-D322 WeakPolarHBondContact CB-OD1 3.1Å; N319-G323 WeakPolarHBondContact O-CA 3.27Å; N319-G323 PolarHBondContact O-N 2.8Å; N319-R324 HydrophobicContact CB-CG 4.12Å; N319-R324 PolarHBondContact N-O 3.21Å; N319-R324 PolarHBondContact ND2-NH2 3.34Å; N319-V326 HydrophobicContact CB-CG1 3.8Å
320V97.9Very high97.4Very high21 Ų2132.1 Ų32.113%0.12715%0.15CC..THydrogen-bonded Turntrans-66.6-21.1-176.3-66.90000114.4R264 Y266 W286 L301 L306 I318R264-V320 PolarHBondContact NH1-O 2.79Å; Y266-V320 HydrophobicContact CE1-CB 4.35Å; Y266-V320 WeakPolarHBondContact OH-CB 3.25Å; W286-V320 PolarHBondContact NE1-O 3.2Å; L301-V320 HydrophobicContact CD2-CG1 3.62Å; L306-V320 HydrophobicContact CB-CG1 4.32Å; I318-V320 PolarHBondContact O-N 2.73Å
321E97.4Very high97.5Very high118 Ų11833.2 Ų33.255%0.55116%0.157SC*.THydrogen-bonded Turntrans-87.3-36.9-176-60.4-59.6132.200113.2R264 N319R264-E321 IonicContact CZ-OE1 2.88Å; R264-E321 VanDerWaalsContact CZ-OE1 3.3Å; R264-E321 IonicContact CZ-OE2 3.8Å; R264-E321 IonicContact NH1-OE1 2.71Å; R264-E321 PolarHBondContact NH1-OE1 3.03Å; R264-E321 IonicContact NH1-OE2 2.72Å; R264-E321 IonicContact NH2-OE1 2.73Å; R264-E321 PolarHBondContact NH2-OE1 2.8Å; R264-E321 IonicContact NH2-OE2 2.99Å; R264-E321 PolarHBondContact NH2-OE2 3.34Å; N319-E321 PolarHBondContact O-N 3.45Å; N319-E321 VanDerWaalsContact OD1-CB 3.29Å; N319-E321 WeakPolarHBondContact OD1-CB 3.45Å; N319-E321 PolarHBondContact OD1-N 2.91Å
322D97.4Very high97.6Very high76 Ų7633.2 Ų33.241%0.40616%0.155SC..THydrogen-bonded Turntrans-135.8-1.1-170.670.9-1.9000115.6N319 R324N319-D322 WeakPolarHBondContact CB-OD1 3.1Å; D322-R324 VanDerWaalsContact C-N 3.31Å; D322-R324 PolarHBondContact O-N 2.93Å; D322-R324 WeakPolarHBondContact OD1-CG 3.39Å; D322-R324 IonicContact OD1-CZ 3.95Å; D322-R324 PolarHBondContact OD1-N 3.24Å; D322-R324 IonicContact OD1-NH1 3.94Å; D322-R324 PolarHBondContact OD1-NH1 2.81Å; D322-R324 IonicContact OD2-CZ 3.99Å; D322-R324 IonicContact OD2-NE 3.41Å; D322-R324 IonicContact OD2-NH1 3.7Å; D322-R324 PolarHBondContact OD2-NH1 3.46Å
323G97.7Very high97.7Very high2 Ų234.5 Ų34.52%0.02117%0.172CC..  trans785.7173.300000115.7W286 Q288 I318 N319W286-G323 VanDerWaalsContact CE3-CA 3.43Å; Q288-G323 WeakPolarHBondContact CB-O 3.5Å; Q288-G323 WeakPolarHBondContact CG-O 3.37Å; Q288-G323 PolarHBondContact NE2-O 3.11Å; I318-G323 WeakPolarHBondContact CG2-O 3.3Å; N319-G323 WeakPolarHBondContact O-CA 3.27Å; N319-G323 PolarHBondContact O-N 2.8Å
324R97.4Very high97.6Very high101 Ų10136.2 Ų36.238%0.38118%0.184SC..  trans-77.6151.9175.981.4-171.6-174.1-83.1-10.5111.6I318 N319 D322I318-R324 WeakPolarHBondContact CA-O 3.45Å; N319-R324 HydrophobicContact CB-CG 4.12Å; N319-R324 PolarHBondContact N-O 3.21Å; N319-R324 PolarHBondContact ND2-NH2 3.34Å; D322-R324 VanDerWaalsContact C-N 3.31Å; D322-R324 PolarHBondContact O-N 2.93Å; D322-R324 WeakPolarHBondContact OD1-CG 3.39Å; D322-R324 IonicContact OD1-CZ 3.95Å; D322-R324 PolarHBondContact OD1-N 3.24Å; D322-R324 IonicContact OD1-NH1 3.94Å; D322-R324 PolarHBondContact OD1-NH1 2.81Å; D322-R324 IonicContact OD2-CZ 3.99Å; D322-R324 IonicContact OD2-NE 3.41Å; D322-R324 IonicContact OD2-NH1 3.7Å; D322-R324 PolarHBondContact OD2-NH1 3.46Å
325F98Very high97.5Very high25 Ų2533.8 Ų33.811%0.1118%0.175CC..EExtended strand (participates in β ladder)trans-66.5138.8171-59-74.6000111.6P5 V7 Q288 D290 L291 H316 W317 I318P5-F325 HydrophobicContact CB-CD2 4.35Å; P5-F325 HydrophobicContact CB-CE2 3.92Å; P5-F325 HydrophobicContact CG-CD2 4.08Å; P5-F325 HydrophobicContact CG-CE1 4.45Å; P5-F325 HydrophobicContact CG-CE2 3.46Å; P5-F325 VanDerWaalsContact CG-CE2 3.46Å; P5-F325 HydrophobicContact CG-CZ 3.68Å; V7-F325 HydrophobicContact CB-CB 4.29Å; V7-F325 HydrophobicContact CG1-CB 3.69Å; V7-F325 HydrophobicContact CG2-CB 3.57Å; V7-F325 HydrophobicContact CG2-CD1 4.41Å; V7-F325 HydrophobicContact CG2-CD2 3.97Å; V7-F325 HydrophobicContact CG2-CG 3.73Å; Q288-F325 HydrophobicContact CG-CE2 4.45Å; Q288-F325 HydrophobicContact CG-CZ 4.08Å; D290-F325 HydrophobicContact CB-CE2 3.68Å; D290-F325 HydrophobicContact CB-CZ 3.97Å; L291-F325 HydrophobicContact CD1-CE1 3.97Å; L291-F325 HydrophobicContact CD1-CZ 4.25Å; L291-F325 HydrophobicContact CD2-CE1 3.9Å; L291-F325 HydrophobicContact CD2-CZ 3.68Å; L291-F325 HydrophobicContact CG-CE1 3.95Å; L291-F325 HydrophobicContact CG-CZ 3.73Å; H316-F325 HydrophobicContact CB-CD1 4.36Å; H316-F325 HydrophobicContact CB-CE1 4.16Å; W317-F325 CarbonylContact O-C 3.56Å; W317-F325 WeakPolarHBondContact O-CA 3.45Å; I318-F325 HydrophobicContact CD1-CE1 4.29Å; I318-F325 HydrophobicContact CG1-CD1 3.97Å; I318-F325 HydrophobicContact CG1-CE1 4.04Å
326V97.6Very high97.4Very high1 Ų133.8 Ų33.81%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-115.3-23.8173.2-63.50000112.4Q10 F11 N305 W317 N319Q10-V326 HydrophobicContact CB-CB 4.49Å; Q10-V326 WeakPolarHBondContact CB-O 3.16Å; Q10-V326 HydrophobicContact CG-CB 4.34Å; Q10-V326 PolarHBondContact N-O 2.85Å; F11-V326 HydrophobicContact CE1-CB 4.19Å; F11-V326 HydrophobicContact CE1-CG2 3.68Å; F11-V326 HydrophobicContact CZ-CG2 4.11Å; N305-V326 HydrophobicContact CB-CG2 4.34Å; N305-V326 WeakPolarHBondContact OD1-CG2 3.41Å; W317-V326 HydrophobicContact CB-CG2 3.58Å; W317-V326 WeakPolarHBondContact O-CG2 3.35Å; W317-V326 PolarHBondContact O-N 3.07Å; N319-V326 HydrophobicContact CB-CG1 3.8Å
327A97.9Very high97.1Very high0 Ų035.9 Ų35.90%019%0.185CC..EExtended strand (participates in β ladder)trans-157.9157.6170.500000110.3N9 F11 P13 W317N9-A327 WeakPolarHBondContact OD1-CA 3.48Å; F11-A327 HydrophobicContact CD1-CB 4.26Å; F11-A327 HydrophobicContact CD2-CB 3.86Å; F11-A327 HydrophobicContact CE1-CB 3.89Å; F11-A327 HydrophobicContact CE2-CB 3.45Å; F11-A327 VanDerWaalsContact CE2-CB 3.45Å; F11-A327 HydrophobicContact CG-CB 4.27Å; F11-A327 HydrophobicContact CZ-CB 3.47Å; F11-A327 VanDerWaalsContact CZ-CB 3.47Å; P13-A327 HydrophobicContact CG-CB 4.08Å; W317-A327 HydrophobicContact CB-CB 4.06Å; W317-A327 HydrophobicContact CD2-CB 4.19Å; W317-A327 HydrophobicContact CE3-CB 4.01Å; W317-A327 HydrophobicContact CG-CB 4.24Å; W317-A327 PolarHBondContact N-O 3.12Å; W317-A327 PolarHBondContact O-N 3.02Å
328Q97.4Very high96.8Very high26 Ų2636 Ų3612%0.12119%0.185CC..EExtended strand (participates in β ladder)trans-145.4142.3173.7-169.1176.5-79.500109.6L4 P5 V7 N9 Y314 L315 H316L4-Q328 VanDerWaalsContact CG-NE2 3.32Å; P5-Q328 PolarHBondContact O-NE2 3.37Å; V7-Q328 HydrophobicContact CB-CB 3.99Å; V7-Q328 HydrophobicContact CG1-CB 4.31Å; V7-Q328 HydrophobicContact CG2-CB 3.98Å; N9-Q328 PolarHBondContact ND2-O 2.9Å; N9-Q328 VanDerWaalsContact ND2-O 3.12Å; N9-Q328 PolarHBondContact OD1-N 2.91Å; Y314-Q328 HydrophobicContact CD1-CG 4.32Å; L315-Q328 WeakPolarHBondContact O-CA 3.26Å; H316-Q328 PolarHBondContact ND1-OE1 3.24Å
329Q97.1Very high96.5Very high28 Ų2838.2 Ų38.213%0.13120%0.196CC..EExtended strand (participates in β ladder)trans-140.5134-179.5-160.9-172.5-3.700110.8P13 Y314 L315 W317 V331P13-Q329 HydrophobicContact CB-CB 4.49Å; P13-Q329 HydrophobicContact CG-CB 3.83Å; P13-Q329 HydrophobicContact CG-CG 4.32Å; P13-Q329 VanDerWaalsContact O-CD 3.31Å; P13-Q329 PolarHBondContact O-NE2 2.89Å; Y314-Q329 CarbonylContact C-O 3.57Å; Y314-Q329 VanDerWaalsContact CA-O 3.22Å; Y314-Q329 WeakPolarHBondContact CA-O 3.49Å; L315-Q329 PolarHBondContact N-O 3.37Å; L315-Q329 PolarHBondContact O-N 2.91Å; W317-Q329 HydrophobicContact CH2-CB 3.97Å; W317-Q329 HydrophobicContact CZ3-CB 3.72Å; Q329-V331 HydrophobicContact CB-CG2 4.32Å; Q329-V331 HydrophobicContact CG-CG2 4.11Å
330K97.3Very high96.4Very high94 Ų9437.1 Ų37.141%0.40919%0.19SC..EExtended strand (participates in β ladder)trans-83.9123.9161.6-179.362.1171.7-1430108.6E312 Y314E312-K330 WeakPolarHBondContact O-CE 3.46Å; E312-K330 PolarHBondContact O-NZ 2.78Å; Y314-K330 HydrophobicContact CD1-CB 3.96Å; Y314-K330 HydrophobicContact CD1-CD 4.15Å; Y314-K330 HydrophobicContact CD2-CD 3.97Å; Y314-K330 HydrophobicContact CE1-CB 3.66Å; Y314-K330 HydrophobicContact CE1-CD 3.93Å; Y314-K330 HydrophobicContact CE1-CG 4.28Å; Y314-K330 HydrophobicContact CE2-CD 3.75Å; Y314-K330 HydrophobicContact CG-CD 4.17Å
331V97.8Very high96.4Very high23 Ų2337.2 Ų37.214%0.13919%0.191CC..  trans-110.4-57.2-178-179.90000111.1G313 L315 Q329 F336 Y357 I359G313-V331 PolarHBondContact O-N 2.96Å; L315-V331 HydrophobicContact CD1-CG2 3.85Å; L315-V331 HydrophobicContact CG-CG2 3.95Å; Q329-V331 HydrophobicContact CB-CG2 4.32Å; Q329-V331 HydrophobicContact CG-CG2 4.11Å; V331-F336 HydrophobicContact CB-CE2 4.09Å; V331-F336 HydrophobicContact CB-CZ 3.81Å; V331-F336 HydrophobicContact CG1-CZ 3.89Å; V331-Y357 HydrophobicContact CG1-CD1 3.38Å; V331-Y357 HydrophobicContact CG1-CD2 4Å; V331-Y357 HydrophobicContact CG1-CE1 3.6Å; V331-Y357 HydrophobicContact CG1-CE2 4.2Å; V331-Y357 HydrophobicContact CG1-CG 3.6Å; V331-I359 HydrophobicContact CG1-CD1 4.2Å; V331-I359 HydrophobicContact CG2-CD1 4.09Å
332D96.7Very high96.4Very high24 Ų2433.4 Ų33.413%0.12818%0.18CC..  trans-146.7125.9-175-170.8-88.3000113.5G313 S334 G335 F336 A351 Y357G313-D332 WeakPolarHBondContact CA-O 3.48Å; G313-D332 PolarHBondContact O-N 3.49Å; D332-S334 PolarHBondContact O-N 3.08Å; D332-S334 WeakPolarHBondContact OD1-CA 3.43Å; D332-S334 WeakPolarHBondContact OD1-CB 3.25Å; D332-S334 PolarHBondContact OD1-N 2.83Å; D332-S334 PolarHBondContact OD1-OG 3.15Å; D332-G335 PolarHBondContact O-N 2.83Å; D332-G335 VanDerWaalsContact O-N 3.14Å; D332-F336 HydrophobicContact CB-CZ 4.38Å; D332-A351 HydrophobicContact CB-CB 4.12Å; D332-Y357 HydrophobicContact CB-CE2 3.74Å; D332-Y357 WeakPolarHBondContact CB-OH 3.34Å; D332-Y357 PolarHBondContact OD2-OH 3.12Å
333S96.7Very high96.2Very high103 Ų10331.2 Ų31.272%0.7217%0.172SC*.THydrogen-bonded Turntrans-67.9-14.1-176510000115.9G335S333-G335 PolarHBondContact O-N 2.93Å
334S96.4Very high95.8Very high37 Ų3736.3 Ų36.326%0.25920%0.199SC..THydrogen-bonded Turntrans-70.7-21.8173.975.70000112.1D332 A351 K352 D353D332-S334 PolarHBondContact O-N 3.08Å; D332-S334 WeakPolarHBondContact OD1-CA 3.43Å; D332-S334 WeakPolarHBondContact OD1-CB 3.25Å; D332-S334 PolarHBondContact OD1-N 2.83Å; D332-S334 PolarHBondContact OD1-OG 3.15Å; S334-A351 WeakPolarHBondContact OG-CB 3.26Å; S334-K352 WeakPolarHBondContact O-CD 3.46Å; S334-D353 PolarHBondContact OG-N 2.79Å
335G96.6Very high95.6Very high0 Ų034.2 Ų34.20%021%0.209CC..  trans88.1165.6173.800000114.7S311 D332 S333 A351 K352S311-G335 VanDerWaalsContact O-CA 3.27Å; S311-G335 WeakPolarHBondContact O-CA 3.39Å; D332-G335 PolarHBondContact O-N 2.83Å; D332-G335 VanDerWaalsContact O-N 3.14Å; S333-G335 PolarHBondContact O-N 2.93Å; G335-A351 CarbonylContact O-C 3.56Å; G335-A351 WeakPolarHBondContact O-CA 3.3Å; G335-K352 PolarHBondContact O-N 3.26Å
336F96.1Very high95.5Very high1 Ų134.8 Ų34.80%0.00421%0.211CC..BIsolated β-bridgetrans-109.4153178.3-55.2-61.6000111T297 D310 S311 G313 L315 V331 D332 I349 A351 Y357T297-F336 HydrophobicContact CG2-CB 3.71Å; D310-F336 PolarHBondContact O-N 3.39Å; S311-F336 WeakPolarHBondContact CA-O 3.37Å; G313-F336 WeakPolarHBondContact O-CE2 3.35Å; L315-F336 HydrophobicContact CD2-CD2 4.11Å; L315-F336 HydrophobicContact CD2-CE2 3.98Å; L315-F336 HydrophobicContact CG-CE2 4.15Å; V331-F336 HydrophobicContact CB-CE2 4.09Å; V331-F336 HydrophobicContact CB-CZ 3.81Å; V331-F336 HydrophobicContact CG1-CZ 3.89Å; D332-F336 HydrophobicContact CB-CZ 4.38Å; F336-I349 HydrophobicContact CB-CD1 3.78Å; F336-I349 HydrophobicContact CB-CG1 4.47Å; F336-I349 HydrophobicContact CD1-CD1 3.52Å; F336-I349 HydrophobicContact CD1-CG1 3.62Å; F336-I349 HydrophobicContact CD1-CG2 4.2Å; F336-I349 HydrophobicContact CD2-CD1 3.84Å; F336-I349 HydrophobicContact CE1-CB 4.42Å; F336-I349 HydrophobicContact CE1-CD1 4.03Å; F336-I349 HydrophobicContact CE1-CG1 4Å; F336-I349 HydrophobicContact CE1-CG2 3.66Å; F336-I349 HydrophobicContact CE2-CD1 4.31Å; F336-I349 HydrophobicContact CG-CD1 3.42Å; F336-I349 VanDerWaalsContact CG-CD1 3.42Å; F336-I349 HydrophobicContact CG-CG1 4.06Å; F336-I349 HydrophobicContact CZ-CD1 4.4Å; F336-I349 HydrophobicContact CZ-CG2 3.92Å; F336-A351 HydrophobicContact CD1-CB 4.1Å; F336-A351 HydrophobicContact CE1-CB 3.77Å; F336-Y357 HydrophobicContact CE1-CD2 4.34Å
337Q91.8Very high95.5Very high45 Ų4534.8 Ų34.821%0.2121%0.211CC..  trans-147.3-37.2170.5173.6-85.7600109.5I25 S30I25-Q337 HydrophobicContact CD1-CB 4.22Å; S30-Q337 PolarHBondContact O-NE2 3.43Å; S30-Q337 PolarHBondContact O-OE1 2.66Å
338T91.6Very high95.5Very high4 Ų434.8 Ų34.83%0.02521%0.211CC..SBendtrans-72.4156.5-175.766.70000111.1I25 L32 T297 Q350I25-T338 HydrophobicContact CD1-CG2 3.79Å; L32-T338 WeakPolarHBondContact O-CG2 3.4Å; T297-T338 WeakPolarHBondContact CG2-O 3.45Å; T338-Q350 PolarHBondContact OG1-O 2.81Å
339E92.3Very high95.5Very high46 Ų4633.6 Ų33.622%0.21521%0.206CC..PPolyproline II helixtrans-54.9130.1177.7-55.4-165.1151.500111.9H33H33-E339 HydrophobicContact CB-CB 4.28Å; H33-E339 IonicContact CD2-OE2 3.83Å; H33-E339 IonicContact NE2-OE2 3.21Å
340P96.3Very high95.6Very high4 Ų432.3 Ų32.33%0.02620%0.2CC..PPolyproline II helixtrans-68.1143.3163.427-30.6000109.5T297 S298 V300 L347 L348 I349T297-P340 WeakPolarHBondContact OG1-CD 3.29Å; S298-P340 VanDerWaalsContact O-CD 3.3Å; S298-P340 WeakPolarHBondContact O-CD 3.27Å; S298-P340 VanDerWaalsContact O-CG 3.29Å; S298-P340 WeakPolarHBondContact O-CG 3.34Å; V300-P340 HydrophobicContact CB-CG 4.42Å; V300-P340 HydrophobicContact CG1-CG 4.02Å; V300-P340 VanDerWaalsContact CG1-O 3.23Å; V300-P340 WeakPolarHBondContact CG1-O 3.34Å; V300-P340 HydrophobicContact CG2-CB 3.88Å; V300-P340 HydrophobicContact CG2-CG 3.66Å; P340-L347 HydrophobicContact CB-CD1 4.17Å; P340-L348 CarbonylContact C-O 3.55Å; P340-L348 WeakPolarHBondContact CA-O 3.27Å; P340-I349 HydrophobicContact CB-CD1 4.21Å; P340-I349 HydrophobicContact CB-CG1 4.4Å
341V96.9Very high95.6Very high23 Ų2327.9 Ų27.914%0.13918%0.181CC..EExtended strand (participates in β ladder)trans-112.1108.2-179.3-179.10000109.9P34 A343 L347 L348P34-V341 VanDerWaalsContact O-CG2 3.29Å; P34-V341 WeakPolarHBondContact O-CG2 3.01Å; V341-A343 HydrophobicContact CG1-CB 4.11Å; V341-L347 CarbonylContact O-C 3.52Å; V341-L347 WeakPolarHBondContact O-CA 3.41Å; V341-L348 HydrophobicContact CB-CB 4.28Å; V341-L348 PolarHBondContact N-O 3.03Å; V341-L348 PolarHBondContact O-N 3.02Å
342A96.7Very high95.6Very high39 Ų3929 Ų2932%0.32218%0.184SC..EExtended strand (participates in β ladder)trans-100.595.1172.400000109.8V300 L301 Y302 K346 L347V300-A342 HydrophobicContact CB-CB 4.09Å; V300-A342 HydrophobicContact CG2-CB 4.02Å; L301-A342 VanDerWaalsContact O-CB 3.3Å; L301-A342 WeakPolarHBondContact O-CB 3.5Å; Y302-A342 HydrophobicContact CD2-CB 4.3Å; A342-K346 WeakPolarHBondContact CA-O 3.45Å; A342-L347 HydrophobicContact CB-CD1 4.3Å
343A93.8Very high95.6Very high30 Ų3031 Ų3125%0.24820%0.195CC..EExtended strand (participates in β ladder)trans-145.3153.8-17700000110.9L36 V341 G345 K346L36-A343 HydrophobicContact CB-CB 4.39Å; L36-A343 HydrophobicContact CD2-CB 4.25Å; L36-A343 VanDerWaalsContact CD2-O 3.26Å; L36-A343 WeakPolarHBondContact CD2-O 3.34Å; V341-A343 HydrophobicContact CG1-CB 4.11Å; A343-G345 PolarHBondContact O-N 2.91Å; A343-K346 PolarHBondContact N-O 2.72Å; A343-K346 PolarHBondContact O-N 2.72Å; A343-K346 VanDerWaalsContact O-O 3.1Å
344D90.4Very high95.6Very high108 Ų10826.1 Ų26.158%0.57816%0.16SC*.THydrogen-bonded Turntrans47.835.3179.4-61.9-17.7000114.6L36 K346L36-D344 HydrophobicContact CD2-CB 4.05Å; L36-D344 HydrophobicContact CG-CB 4.43Å; D344-K346 PolarHBondContact O-N 2.99Å
345G91.8Very high95.7Very high58 Ų5825.2 Ų25.260%0.59815%0.153SC*.THydrogen-bonded Turntrans72.27.8-178.400000115.1Y302 A343Y302-G345 WeakPolarHBondContact CE2-O 3.31Å; Y302-G345 PolarHBondContact OH-O 2.86Å; A343-G345 PolarHBondContact O-N 2.91Å
346K95.8Very high95.8Very high36 Ų3625.2 Ų25.216%0.15715%0.153CC..EExtended strand (participates in β ladder)trans-111.1153.5176.9-60.2177.6-168.5-82.90110.5L36 N39 A55 D56 Y302 A342 A343 D344L36-K346 HydrophobicContact CD2-CB 3.95Å; L36-K346 HydrophobicContact CD2-CD 4.09Å; L36-K346 HydrophobicContact CD2-CG 4.44Å; N39-K346 WeakPolarHBondContact OD1-CE 3.27Å; A55-K346 HydrophobicContact CB-CD 3.69Å; A55-K346 WeakPolarHBondContact O-CE 3.29Å; A55-K346 PolarHBondContact O-NZ 3.44Å; D56-K346 IonicContact OD1-NZ 3.45Å; D56-K346 PolarHBondContact OD1-NZ 2.8Å; Y302-K346 VanDerWaalsContact CE2-C 3.48Å; A342-K346 WeakPolarHBondContact CA-O 3.45Å; A343-K346 PolarHBondContact N-O 2.72Å; A343-K346 PolarHBondContact O-N 2.72Å; A343-K346 VanDerWaalsContact O-O 3.1Å; D344-K346 PolarHBondContact O-N 2.99Å
347L98Very high95.9Very high1 Ų126 Ų261%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-115.6117.5169.4174.263.9000108V300 Y302 V307 W317 P340 V341 A342 S358 I359V300-L347 HydrophobicContact CG2-CD1 4.06Å; Y302-L347 HydrophobicContact CD1-CB 3.8Å; Y302-L347 HydrophobicContact CD1-CD2 3.91Å; Y302-L347 HydrophobicContact CD1-CG 4.43Å; Y302-L347 HydrophobicContact CD2-CB 3.88Å; Y302-L347 HydrophobicContact CE1-CB 3.83Å; Y302-L347 HydrophobicContact CE1-CD2 4.45Å; Y302-L347 HydrophobicContact CE2-CB 3.94Å; Y302-L347 HydrophobicContact CG-CB 3.82Å; Y302-L347 HydrophobicContact CG-CD2 4.27Å; Y302-L347 HydrophobicContact CG-CG 4.46Å; V307-L347 HydrophobicContact CG1-CD2 3.92Å; V307-L347 HydrophobicContact CG2-CD2 4.48Å; W317-L347 HydrophobicContact CZ2-CD2 4.27Å; P340-L347 HydrophobicContact CB-CD1 4.17Å; V341-L347 CarbonylContact O-C 3.52Å; V341-L347 WeakPolarHBondContact O-CA 3.41Å; A342-L347 HydrophobicContact CB-CD1 4.3Å; L347-S358 CarbonylContact O-C 3.55Å; L347-S358 WeakPolarHBondContact O-CA 3.29Å; L347-I359 HydrophobicContact CB-CB 4.23Å; L347-I359 HydrophobicContact CD2-CB 3.96Å; L347-I359 HydrophobicContact CD2-CG1 4.48Å; L347-I359 HydrophobicContact CD2-CG2 4.15Å; L347-I359 HydrophobicContact CG-CB 4.16Å; L347-I359 PolarHBondContact O-N 3.41Å
348L98.1Very high96.2Very high0 Ų024.2 Ų24.20%015%0.148CC..EExtended strand (participates in β ladder)trans-112.2148.4177.6-54.6173.1000110.3W17 L36 V41 P340 V341 Y357W17-L348 HydrophobicContact CH2-CD2 4.17Å; W17-L348 HydrophobicContact CZ2-CD2 3.86Å; L36-L348 HydrophobicContact CB-CD1 3.74Å; L36-L348 HydrophobicContact CD2-CD1 3.99Å; L36-L348 HydrophobicContact CG-CD1 4.31Å; V41-L348 HydrophobicContact CB-CD1 4.29Å; V41-L348 HydrophobicContact CG1-CD1 3.85Å; V41-L348 HydrophobicContact CG2-CD1 3.56Å; V41-L348 HydrophobicContact CG2-CD2 4.07Å; V41-L348 HydrophobicContact CG2-CG 4.49Å; P340-L348 CarbonylContact C-O 3.55Å; P340-L348 WeakPolarHBondContact CA-O 3.27Å; V341-L348 HydrophobicContact CB-CB 4.28Å; V341-L348 PolarHBondContact N-O 3.03Å; V341-L348 PolarHBondContact O-N 3.02Å; L348-Y357 VanDerWaalsContact CA-O 3.25Å; L348-Y357 WeakPolarHBondContact CA-O 3.09Å
349I97.8Very high96.5Very high1 Ų124.1 Ų24.11%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-151.7147170.8-165.5168.7000109.8T297 L315 F336 P340 Y357T297-I349 HydrophobicContact CG2-CD1 4.42Å; L315-I349 HydrophobicContact CD1-CG2 4.49Å; L315-I349 HydrophobicContact CD2-CD1 3.66Å; F336-I349 HydrophobicContact CB-CD1 3.78Å; F336-I349 HydrophobicContact CB-CG1 4.47Å; F336-I349 HydrophobicContact CD1-CD1 3.52Å; F336-I349 HydrophobicContact CD1-CG1 3.62Å; F336-I349 HydrophobicContact CD1-CG2 4.2Å; F336-I349 HydrophobicContact CD2-CD1 3.84Å; F336-I349 HydrophobicContact CE1-CB 4.42Å; F336-I349 HydrophobicContact CE1-CD1 4.03Å; F336-I349 HydrophobicContact CE1-CG1 4Å; F336-I349 HydrophobicContact CE1-CG2 3.66Å; F336-I349 HydrophobicContact CE2-CD1 4.31Å; F336-I349 HydrophobicContact CG-CD1 3.42Å; F336-I349 VanDerWaalsContact CG-CD1 3.42Å; F336-I349 HydrophobicContact CG-CG1 4.06Å; F336-I349 HydrophobicContact CZ-CD1 4.4Å; F336-I349 HydrophobicContact CZ-CG2 3.92Å; P340-I349 HydrophobicContact CB-CD1 4.21Å; P340-I349 HydrophobicContact CB-CG1 4.4Å; I349-Y357 PolarHBondContact N-O 3.31Å; I349-Y357 PolarHBondContact O-N 3.44Å
350Q98.1Very high96.6Very high2 Ų224.5 Ų24.51%0.00915%0.153CC..EExtended strand (participates in β ladder)trans-110.7127.1176.4-170.6169.44.800110.1P34 A44 T338 V356P34-Q350 HydrophobicContact CG-CB 3.71Å; A44-Q350 PolarHBondContact O-NE2 3.49Å; T338-Q350 PolarHBondContact OG1-O 2.81Å; Q350-V356 HydrophobicContact CB-CG2 4.27Å; Q350-V356 HydrophobicContact CG-CG2 3.92Å
351A98.1Very high96.1Very high1 Ų130.9 Ų30.91%0.00818%0.177CC..BIsolated β-bridgetrans-79.3161.5174.900000110.9D332 S334 G335 F336 D353 G354 T355 Y357D332-A351 HydrophobicContact CB-CB 4.12Å; S334-A351 WeakPolarHBondContact OG-CB 3.26Å; G335-A351 CarbonylContact O-C 3.56Å; G335-A351 WeakPolarHBondContact O-CA 3.3Å; F336-A351 HydrophobicContact CD1-CB 4.1Å; F336-A351 HydrophobicContact CE1-CB 3.77Å; A351-D353 PolarHBondContact O-N 2.78Å; A351-G354 PolarHBondContact O-N 2.96Å; A351-T355 PolarHBondContact N-O 2.91Å; A351-Y357 HydrophobicContact CB-CE2 4.08Å
352K96.8Very high96Very high47 Ų4731.3 Ų31.320%0.20418%0.179CC..THydrogen-bonded Turntrans-58.4-33.4-178.2-74.9-179.9-172.7168.90112.9I25 G26 S334 G335 G354I25-K352 HydrophobicContact CD1-CG 4.24Å; I25-K352 HydrophobicContact CG1-CB 4.42Å; I25-K352 HydrophobicContact CG1-CG 4.25Å; I25-K352 PolarHBondContact N-O 2.97Å; I25-K352 VanDerWaalsContact N-O 3.14Å; G26-K352 WeakPolarHBondContact CA-O 3.32Å; G26-K352 PolarHBondContact N-O 2.88Å; G26-K352 WeakPolarHBondContact O-CB 3.48Å; S334-K352 WeakPolarHBondContact O-CD 3.46Å; G335-K352 PolarHBondContact O-N 3.26Å; K352-G354 PolarHBondContact O-N 2.93Å
353D97.3Very high96Very high66 Ų6630.9 Ų30.935%0.35317%0.171SC..THydrogen-bonded Turntrans-73.8-5.617777.9-13.8000114.4S23 G24 S334 A351 T355S23-D353 CarbonylContact C-O 3.1Å; S23-D353 WeakPolarHBondContact CA-O 3.48Å; S23-D353 CarbonylContact O-C 3.43Å; G24-D353 PolarHBondContact N-O 3.47Å; S334-D353 PolarHBondContact OG-N 2.79Å; A351-D353 PolarHBondContact O-N 2.78Å; D353-T355 VanDerWaalsContact OD1-CB 3.32Å; D353-T355 WeakPolarHBondContact OD1-CB 3.21Å; D353-T355 PolarHBondContact OD1-N 3.01Å; D353-T355 PolarHBondContact OD1-OG1 2.73Å; D353-T355 PolarHBondContact OD2-OG1 3.36Å
354G97.3Very high96.1Very high0 Ų030.9 Ų30.90%017%0.167CC..SBendtrans96.3-0.9179.300000114.7V21 G24 A351 K352 V356V21-G354 WeakPolarHBondContact CA-O 3.48Å; V21-G354 WeakPolarHBondContact CB-O 3.42Å; V21-G354 PolarHBondContact N-O 3.04Å; G24-G354 VanDerWaalsContact N-CA 3.32Å; A351-G354 PolarHBondContact O-N 2.96Å; K352-G354 PolarHBondContact O-N 2.93Å; G354-V356 PolarHBondContact O-N 2.98Å
355T98.2Very high96.4Very high18 Ų1826.4 Ų26.411%0.1114%0.143CC..EExtended strand (participates in β ladder)trans-70.9122175.6-530000110.2A351 D353 Y357A351-T355 PolarHBondContact N-O 2.91Å; D353-T355 VanDerWaalsContact OD1-CB 3.32Å; D353-T355 WeakPolarHBondContact OD1-CB 3.21Å; D353-T355 PolarHBondContact OD1-N 3.01Å; D353-T355 PolarHBondContact OD1-OG1 2.73Å; D353-T355 PolarHBondContact OD2-OG1 3.36Å; T355-Y357 HydrophobicContact CG2-CD2 4.19Å; T355-Y357 HydrophobicContact CG2-CE1 4.26Å; T355-Y357 HydrophobicContact CG2-CE2 3.45Å; T355-Y357 VanDerWaalsContact CG2-CE2 3.45Å; T355-Y357 VanDerWaalsContact CG2-CZ 3.47Å; T355-Y357 WeakPolarHBondContact CG2-OH 3.34Å; T355-Y357 WeakPolarHBondContact O-CD2 3.35Å
356V98.4Very high96.7Very high0 Ų024.4 Ų24.40%011%0.114CC..EExtended strand (participates in β ladder)trans-93131.9174.7-179.30000108.6W17 S18 T19 V21 P34 V41 A43 Q350 G354W17-V356 HydrophobicContact CH2-CG1 3.78Å; W17-V356 HydrophobicContact CZ3-CB 4.2Å; W17-V356 HydrophobicContact CZ3-CG1 3.9Å; W17-V356 WeakPolarHBondContact CZ3-O 3.34Å; S18-V356 CarbonylContact C-O 3.54Å; S18-V356 VanDerWaalsContact CA-O 3.3Å; S18-V356 WeakPolarHBondContact CA-O 3.35Å; T19-V356 PolarHBondContact N-O 3.28Å; T19-V356 PolarHBondContact O-N 2.82Å; V21-V356 HydrophobicContact CB-CG2 4.35Å; V21-V356 HydrophobicContact CG2-CB 4.45Å; V21-V356 HydrophobicContact CG2-CG2 3.57Å; P34-V356 HydrophobicContact CG-CG1 4.42Å; V41-V356 HydrophobicContact CG1-CG1 4.3Å; A43-V356 HydrophobicContact CB-CG2 3.64Å; Q350-V356 HydrophobicContact CB-CG2 4.27Å; Q350-V356 HydrophobicContact CG-CG2 3.92Å; G354-V356 PolarHBondContact O-N 2.98Å
357Y98.5Very high96.8Very high18 Ų1823.7 Ų23.77%0.07111%0.112CC..EExtended strand (participates in β ladder)trans-114.4140.3178.8-67.3-92000110.3T15 V331 D332 F336 L348 I349 A351 T355T15-Y357 HydrophobicContact CG2-CD1 3.72Å; T15-Y357 HydrophobicContact CG2-CE1 4.39Å; V331-Y357 HydrophobicContact CG1-CD1 3.38Å; V331-Y357 HydrophobicContact CG1-CD2 4Å; V331-Y357 HydrophobicContact CG1-CE1 3.6Å; V331-Y357 HydrophobicContact CG1-CE2 4.2Å; V331-Y357 HydrophobicContact CG1-CG 3.6Å; D332-Y357 HydrophobicContact CB-CE2 3.74Å; D332-Y357 WeakPolarHBondContact CB-OH 3.34Å; D332-Y357 PolarHBondContact OD2-OH 3.12Å; F336-Y357 HydrophobicContact CE1-CD2 4.34Å; L348-Y357 VanDerWaalsContact CA-O 3.25Å; L348-Y357 WeakPolarHBondContact CA-O 3.09Å; I349-Y357 PolarHBondContact N-O 3.31Å; I349-Y357 PolarHBondContact O-N 3.44Å; A351-Y357 HydrophobicContact CB-CE2 4.08Å; T355-Y357 HydrophobicContact CG2-CD2 4.19Å; T355-Y357 HydrophobicContact CG2-CE1 4.26Å; T355-Y357 HydrophobicContact CG2-CE2 3.45Å; T355-Y357 VanDerWaalsContact CG2-CE2 3.45Å; T355-Y357 VanDerWaalsContact CG2-CZ 3.47Å; T355-Y357 WeakPolarHBondContact CG2-OH 3.34Å; T355-Y357 WeakPolarHBondContact O-CD2 3.35Å
358S98.3Very high96.7Very high6 Ų625.3 Ų25.34%0.04212%0.119CC..EExtended strand (participates in β ladder)trans-105.3130.5158.9176.90000109.2T15 A16 W17 L347T15-S358 CarbonylContact C-O 3.53Å; T15-S358 WeakPolarHBondContact CA-O 3.09Å; A16-S358 PolarHBondContact N-O 2.79Å; W17-S358 VanDerWaalsContact NE1-CB 3.27Å; W17-S358 PolarHBondContact O-N 3.26Å; L347-S358 CarbonylContact O-C 3.55Å; L347-S358 WeakPolarHBondContact O-CA 3.29Å
359I97.6Very high96.6Very high2 Ų227.2 Ų27.21%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-115134.6-174.5-51.1-64.8000108.7L315 W317 V331 L347L315-I359 HydrophobicContact CD1-CB 4.45Å; L315-I359 HydrophobicContact CD1-CD1 3.92Å; L315-I359 HydrophobicContact CD1-CG1 3.63Å; L315-I359 HydrophobicContact CD1-CG2 4.25Å; W317-I359 HydrophobicContact CH2-CG2 4.05Å; W317-I359 HydrophobicContact CZ2-CG2 3.72Å; V331-I359 HydrophobicContact CG1-CD1 4.2Å; V331-I359 HydrophobicContact CG2-CD1 4.09Å; L347-I359 HydrophobicContact CB-CB 4.23Å; L347-I359 HydrophobicContact CD2-CB 3.96Å; L347-I359 HydrophobicContact CD2-CG1 4.48Å; L347-I359 HydrophobicContact CD2-CG2 4.15Å; L347-I359 HydrophobicContact CG-CB 4.16Å; L347-I359 PolarHBondContact O-N 3.41Å
360T93.5Very high96.5Very high54 Ų5429.4 Ų29.433%0.33114%0.139SC..EExtended strand (participates in β ladder)trans-120.8153.6173.1-178.60000110.1P13 T14 A16P13-T360 WeakPolarHBondContact CA-O 3.37Å; T14-T360 HydrophobicContact CG2-CG2 3.48Å; T14-T360 VanDerWaalsContact CG2-CG2 3.48Å; T14-T360 PolarHBondContact N-O 3.27Å; T14-T360 PolarHBondContact O-N 2.71Å; A16-T360 HydrophobicContact CB-CG2 4.26Å
361R86.1Confident96.4Very high139 Ų13931.9 Ų31.953%0.52515%0.15SC..  trans-71.90170.5176.9166.3-176.5177.70.7111.9F11F11-R361 HydrophobicContact CB-CG 4.14Å; F11-R361 HydrophobicContact CD2-CB 4.44Å; F11-R361 HydrophobicContact CD2-CG 3.58Å; F11-R361 HydrophobicContact CE2-CG 4.09Å; F11-R361 HydrophobicContact CG-CG 3.89Å

Retrieved 361 of 361 residues in 182.2 ms (Link to these results)

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