A0A077Z7B2_TRITR Loading...

WD repeat containing protein 61

AlphaFold DB , UniProt , Accession A0A077Z7B2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 330 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
1M40.6Very low80.4Confident237 Ų23782.5 Ų82.5100%1.16743%0.434SS*.  0119.50-69.3-177.4-159.700104.9N3M1-N3 PolarHBondContact O-N 3.4Å
2D52.2Low81.4Confident113 Ų11381.7 Ų81.760%0.60442%0.424SS*.  trans-70.3113.2-177-162.2-7000108S4D2-S4 PolarHBondContact O-N 3.25Å; D2-S4 WeakPolarHBondContact OD1-CB 3.43Å; D2-S4 PolarHBondContact OD1-N 3.34Å
3N63.1Low82Confident163 Ų16381.1 Ų81.187%0.87243%0.431SS*.  trans-86.64.8-176.6-120.616000111.4M1M1-N3 PolarHBondContact O-N 3.4Å
4S76.9Confident82Confident22 Ų2280.6 Ų80.615%0.15444%0.444CS..  trans-66.1132.3176.9174.20000111.1D2 V6 D271 L273D2-S4 PolarHBondContact O-N 3.25Å; D2-S4 WeakPolarHBondContact OD1-CB 3.43Å; D2-S4 PolarHBondContact OD1-N 3.34Å; S4-V6 WeakPolarHBondContact CB-O 3.45Å; S4-V6 PolarHBondContact O-N 3.14Å; S4-V6 WeakPolarHBondContact OG-CA 3.24Å; S4-V6 PolarHBondContact OG-N 2.95Å; S4-V6 PolarHBondContact OG-O 2.98Å; S4-D271 WeakPolarHBondContact CA-OD1 3.42Å; S4-D271 WeakPolarHBondContact CA-OD2 2.94Å; S4-D271 VanDerWaalsContact CB-OD1 3.28Å; S4-D271 WeakPolarHBondContact CB-OD1 3.04Å; S4-D271 PolarHBondContact OG-OD1 3.37Å; S4-D271 PolarHBondContact OG-OD2 2.72Å; S4-D271 VanDerWaalsContact OG-OD2 3.1Å; S4-L273 WeakPolarHBondContact OG-CD2 3.18Å
5S83.5Confident82.3Confident68 Ų6876 Ų7648%0.47642%0.419SS..SBendtrans-65.5-18.6167.169.20000112.3D271 N308S5-D271 WeakPolarHBondContact CA-OD2 3.43Å; S5-D271 WeakPolarHBondContact CB-OD2 3.13Å; S5-D271 PolarHBondContact N-OD2 3.38Å; S5-D271 PolarHBondContact OG-OD2 3.38Å; S5-N308 PolarHBondContact O-ND2 2.65Å
6V92Very high82.6Confident0 Ų071.8 Ų71.80%040%0.395CS..SBendtrans-107.5119.1179162.80000109.7S4 I261 L273 H304 D305 T306 L309S4-V6 WeakPolarHBondContact CB-O 3.45Å; S4-V6 PolarHBondContact O-N 3.14Å; S4-V6 WeakPolarHBondContact OG-CA 3.24Å; S4-V6 PolarHBondContact OG-N 2.95Å; S4-V6 PolarHBondContact OG-O 2.98Å; V6-I261 HydrophobicContact CB-CD1 3.84Å; V6-I261 HydrophobicContact CG1-CD1 4.26Å; V6-I261 HydrophobicContact CG2-CD1 3.46Å; V6-I261 VanDerWaalsContact CG2-CD1 3.46Å; V6-L273 HydrophobicContact CB-CD2 3.86Å; V6-L273 HydrophobicContact CG1-CD1 4.14Å; V6-L273 HydrophobicContact CG1-CD2 3.66Å; V6-H304 HydrophobicContact CG1-CB 3.56Å; V6-D305 WeakPolarHBondContact CG1-O 3.4Å; V6-T306 HydrophobicContact CG1-CG2 3.96Å; V6-T306 HydrophobicContact CG2-CG2 4.13Å; V6-L309 HydrophobicContact CG2-CD1 3.77Å; V6-L309 HydrophobicContact CG2-CG 4.12Å
7K93.4Very high82.8Confident131 Ų13179.6 Ų79.657%0.5743%0.428SS*.EExtended strand (participates in β ladder)trans-88.9133.8-172.6-177-174.1172.5-168.30110.9L9 H304 D305K7-L9 HydrophobicContact CD-CD2 4.28Å; K7-L9 PolarHBondContact O-N 2.84Å; K7-H304 CarbonylContact O-C 3.55Å; K7-H304 VanDerWaalsContact O-CA 3.29Å; K7-H304 WeakPolarHBondContact O-CA 3.29Å; K7-D305 HydrophobicContact CB-CB 4.38Å; K7-D305 PolarHBondContact O-N 3.43Å
8Q95.2Very high83.4Confident80 Ų8076.7 Ų76.737%0.37442%0.415SS..EExtended strand (participates in β ladder)trans-67123.1165.9-169.9-163.9-73.400110.4M302Q8-M302 HydrophobicContact CG-CE 3.87Å
9L96.1Very high84Confident21 Ų2174.5 Ų74.511%0.1141%0.405CS..EExtended strand (participates in β ladder)trans-96.5-41176.2-61.2-175.8000111.7K7 W48 H53 I303 D305K7-L9 HydrophobicContact CD-CD2 4.28Å; K7-L9 PolarHBondContact O-N 2.84Å; L9-W48 HydrophobicContact CB-CH2 4.25Å; L9-W48 HydrophobicContact CB-CZ2 4.39Å; L9-W48 HydrophobicContact CD1-CZ2 4.23Å; L9-H53 HydrophobicContact CB-CB 4.32Å; L9-I303 PolarHBondContact N-O 2.98Å; L9-D305 HydrophobicContact CD1-CB 3.89Å; L9-D305 HydrophobicContact CD2-CB 3.98Å; L9-D305 HydrophobicContact CG-CB 3.9Å
10F96.6Very high84.7Confident25 Ų2570.8 Ų70.811%0.1139%0.385CS..EExtended strand (participates in β ladder)trans-144.1150.7-174.6173.3-92.8000111.9K12 W48 H53 L55 M302 I303F10-K12 HydrophobicContact CE1-CB 3.5Å; F10-K12 HydrophobicContact CE2-CB 4.24Å; F10-K12 HydrophobicContact CZ-CB 3.32Å; F10-K12 HydrophobicContact CZ-CD 3.88Å; F10-K12 HydrophobicContact CZ-CG 4.23Å; F10-W48 HydrophobicContact CB-CH2 3.61Å; F10-W48 HydrophobicContact CB-CZ3 3.6Å; F10-W48 HydrophobicContact CD1-CZ3 4.38Å; F10-W48 HydrophobicContact CD2-CZ3 4.3Å; F10-W48 HydrophobicContact CG-CH2 4.38Å; F10-W48 AromaticContact CG-CZ3 3.87Å; F10-W48 HydrophobicContact CG-CZ3 3.87Å; F10-H53 WeakPolarHBondContact CD2-O 3.16Å; F10-L55 HydrophobicContact CD1-CD1 4.11Å; F10-L55 HydrophobicContact CD1-CG 4.25Å; F10-L55 HydrophobicContact CE1-CB 4.08Å; F10-L55 HydrophobicContact CE1-CD1 3.5Å; F10-L55 HydrophobicContact CE1-CG 3.79Å; F10-L55 HydrophobicContact CE2-CB 4.41Å; F10-L55 HydrophobicContact CZ-CB 3.76Å; F10-L55 HydrophobicContact CZ-CD1 4.06Å; F10-L55 HydrophobicContact CZ-CG 3.98Å; F10-M302 WeakPolarHBondContact O-CA 3.25Å; F10-I303 HydrophobicContact CB-CB 4.22Å; F10-I303 HydrophobicContact CD1-CD1 4.39Å; F10-I303 PolarHBondContact N-O 2.77Å; F10-I303 VanDerWaalsContact N-O 3.14Å; F10-I303 PolarHBondContact O-N 2.85Å
11S95Very high85.2Confident48 Ų4869 Ų6934%0.33638%0.375SS..EExtended strand (participates in β ladder)trans-152.7122.8173.9163.20000109.4K300 V301S11-K300 WeakPolarHBondContact OG-CE 3.39Å; S11-V301 WeakPolarHBondContact CA-O 3.26Å
12K92.5Very high87.9Confident72 Ų7257.9 Ų57.931%0.31332%0.32SS..EExtended strand (participates in β ladder)trans-134.4130.7173.4-177.7177.2179.9-176.40109.7F10 V15 K300 V301F10-K12 HydrophobicContact CE1-CB 3.5Å; F10-K12 HydrophobicContact CE2-CB 4.24Å; F10-K12 HydrophobicContact CZ-CB 3.32Å; F10-K12 HydrophobicContact CZ-CD 3.88Å; F10-K12 HydrophobicContact CZ-CG 4.23Å; K12-V15 HydrophobicContact CB-CG2 4.12Å; K12-V15 HydrophobicContact CD-CG2 4.14Å; K12-V15 HydrophobicContact CG-CG2 3.91Å; K12-K300 CarbonylContact O-C 3.53Å; K12-K300 VanDerWaalsContact O-CA 3.26Å; K12-K300 WeakPolarHBondContact O-CA 3.27Å; K12-K300 VanDerWaalsContact O-CG 3.29Å; K12-K300 WeakPolarHBondContact O-CG 3.25Å; K12-V301 PolarHBondContact N-O 3.29Å; K12-V301 PolarHBondContact O-N 2.86Å
13S88.3Confident90.1Very high74 Ų7452.6 Ų52.652%0.51729%0.292SS..SBendtrans-95.7159.2175.4-66.90000110.5V15S13-V15 VanDerWaalsContact C-N 3.3Å; S13-V15 PolarHBondContact O-N 3.46Å
14A83Confident91.8Very high74 Ų7445 Ų4561%0.61225%0.252SS*.  trans53.946.5179.200000112.5H16 G299A14-H16 CarbonylContact C-O 3.59Å; A14-G299 PolarHBondContact N-O 3.49Å
15V85.7Confident92.7Very high12 Ų1244 Ų447%0.07325%0.245CC..SBendtrans-69.5-30.4170.3-176.50000110.1K12 S13 W46 G299 V301K12-V15 HydrophobicContact CB-CG2 4.12Å; K12-V15 HydrophobicContact CD-CG2 4.14Å; K12-V15 HydrophobicContact CG-CG2 3.91Å; S13-V15 VanDerWaalsContact C-N 3.3Å; S13-V15 PolarHBondContact O-N 3.46Å; V15-W46 HydrophobicContact CB-CZ2 4.31Å; V15-W46 HydrophobicContact CG1-CD2 4.1Å; V15-W46 HydrophobicContact CG1-CH2 3.67Å; V15-W46 HydrophobicContact CG1-CZ2 3.02Å; V15-W46 HydrophobicContact CG1-CZ3 4.41Å; V15-G299 WeakPolarHBondContact CB-O 3.3Å; V15-G299 WeakPolarHBondContact CG2-O 3.5Å; V15-G299 PolarHBondContact N-O 2.79Å; V15-V301 HydrophobicContact CB-CG2 3.9Å; V15-V301 HydrophobicContact CG1-CG2 3.88Å; V15-V301 HydrophobicContact CG2-CB 3.97Å; V15-V301 HydrophobicContact CG2-CG2 3.6Å
16H87.6Confident93.4Very high9 Ų940.8 Ų40.84%0.04222%0.222CC..SBendtrans-124.5157.7163.8-69.4-98000108.9A14 C18 V20 T36 D38 A44A14-H16 CarbonylContact C-O 3.59Å; H16-C18 VanDerWaalsContact C-N 3.28Å; H16-C18 WeakPolarHBondContact CB-O 3.3Å; H16-V20 HydrophobicContact CB-CG2 3.76Å; H16-V20 WeakPolarHBondContact CD2-CG2 3.39Å; H16-T36 WeakPolarHBondContact NE2-CB 3.29Å; H16-T36 PolarHBondContact NE2-OG1 3.06Å; H16-D38 HydrophobicContact CB-CB 3.99Å; H16-D38 IonicContact CG-OD2 3.58Å; H16-D38 IonicContact ND1-OD2 3.1Å; H16-D38 PolarHBondContact ND1-OD2 3.05Å; H16-A44 VanDerWaalsContact CE1-CB 3.48Å; H16-A44 WeakPolarHBondContact CE1-CB 3.28Å
17E86.2Confident93.4Very high204 Ų20445.7 Ų45.795%0.95324%0.24SC*.SBendtrans-74.7-22.9171.5-65.5-166.916900112
18C93Very high93.2Very high28 Ų2839.8 Ų39.819%0.18922%0.216CC..SBendtrans-106.9162.4177.9-82.70000112.8H16 V20 D38 L39 D40H16-C18 VanDerWaalsContact C-N 3.28Å; H16-C18 WeakPolarHBondContact CB-O 3.3Å; C18-V20 PolarHBondContact O-N 3.29Å; C18-D38 HydrophobicContact CB-CB 4.42Å; C18-L39 HydrophobicContact CB-CB 4.31Å; C18-D40 PolarHBondContact SG-OD1 3.35Å; C18-D40 PolarHBondContact SG-OD2 2.76Å
19P95.4Very high92.7Very high34 Ų3442.4 Ų42.422%0.22123%0.228CC..  trans-50.1136.8172.4-31.237.7000112.5L21 D38 L39 D297P19-L21 HydrophobicContact CB-CD2 4.34Å; P19-D38 WeakPolarHBondContact O-CA 3.41Å; P19-L39 HydrophobicContact CB-CD1 3.65Å; P19-L39 HydrophobicContact CB-CG 4.11Å; P19-L39 HydrophobicContact CG-CD1 3.66Å; P19-L39 PolarHBondContact O-N 3.08Å; P19-D297 WeakPolarHBondContact CA-O 3.35Å; P19-D297 WeakPolarHBondContact CG-O 3.46Å
20V97Very high92.2Very high0 Ų043.6 Ų43.60%025%0.245CC..EExtended strand (participates in β ladder)trans-99.8113.4177.4-178.70000108.2H16 C18 T36 V295 D296H16-V20 HydrophobicContact CB-CG2 3.76Å; H16-V20 WeakPolarHBondContact CD2-CG2 3.39Å; C18-V20 PolarHBondContact O-N 3.29Å; V20-T36 HydrophobicContact CG1-CG2 4.21Å; V20-V295 HydrophobicContact CB-CB 3.98Å; V20-V295 HydrophobicContact CB-CG1 4.48Å; V20-V295 HydrophobicContact CB-CG2 4.47Å; V20-V295 HydrophobicContact CG1-CB 3.57Å; V20-V295 HydrophobicContact CG1-CG1 3.71Å; V20-V295 HydrophobicContact CG1-CG2 3.85Å; V20-D296 PolarHBondContact N-O 3.11Å
21L96.2Very high91.9Very high34 Ų3446 Ų4618%0.17826%0.259CS..EExtended strand (participates in β ladder)trans-94.8-24.7-171.7-62.2-167000113.5P19 G37 L39 W281 D282P19-L21 HydrophobicContact CB-CD2 4.34Å; L21-G37 PolarHBondContact N-O 3.41Å; L21-L39 HydrophobicContact CD1-CD2 3.36Å; L21-L39 HydrophobicContact CD1-CG 3.8Å; L21-L39 HydrophobicContact CD2-CG 4.15Å; L21-L39 HydrophobicContact CG-CD2 4.03Å; L21-L39 HydrophobicContact CG-CG 3.88Å; L21-W281 HydrophobicContact CD2-CB 4.47Å; L21-W281 HydrophobicContact CD2-CD2 3.97Å; L21-W281 HydrophobicContact CD2-CG 3.77Å; L21-W281 WeakPolarHBondContact O-CB 3.41Å; L21-D282 WeakPolarHBondContact O-CB 3.3Å
22S97.2Very high91.9Very high4 Ų445.2 Ų45.23%0.02825%0.251CS..EExtended strand (participates in β ladder)trans-148.2151.8-178.4-168.50000112.9G37 L71 D282S22-G37 PolarHBondContact N-O 2.91Å; S22-G37 PolarHBondContact O-N 3.05Å; S22-L71 WeakPolarHBondContact OG-CB 3.45Å; S22-L71 PolarHBondContact OG-N 3.47Å; S22-D282 VanDerWaalsContact CA-OD2 3.23Å; S22-D282 WeakPolarHBondContact CA-OD2 3.33Å; S22-D282 WeakPolarHBondContact CB-OD2 3.14Å; S22-D282 PolarHBondContact OG-OD2 2.69Å
23T98.2Very high92.1Very high2 Ų242 Ų421%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-144.9145.1179.8-170.60000111.5V35 D282 V293 V295T23-V35 CarbonylContact C-O 3.59Å; T23-V35 WeakPolarHBondContact CA-O 3.41Å; T23-V35 PolarHBondContact OG1-O 3.49Å; T23-D282 HydrophobicContact CG2-CB 4.24Å; T23-D282 PolarHBondContact N-OD2 3.39Å; T23-V293 HydrophobicContact CG2-CG1 3.86Å; T23-V295 HydrophobicContact CG2-CG1 3.95Å; T23-V295 HydrophobicContact CG2-CG2 3.9Å
24V97.9Very high92.5Very high4 Ų438.5 Ų38.52%0.02421%0.213CC..EExtended strand (participates in β ladder)trans-131.3150.3168.8-71.40000110.4V26 V35 L71 A73 F80V24-V26 HydrophobicContact CB-CG1 4.43Å; V24-V26 HydrophobicContact CG2-CG1 4.06Å; V24-V35 HydrophobicContact CG2-CB 3.83Å; V24-V35 HydrophobicContact CG2-CG2 4.4Å; V24-V35 PolarHBondContact N-O 2.87Å; V24-V35 PolarHBondContact O-N 3.4Å; V24-L71 HydrophobicContact CB-CB 4.4Å; V24-L71 HydrophobicContact CG1-CB 3.6Å; V24-L71 HydrophobicContact CG2-CB 4.13Å; V24-L71 HydrophobicContact CG2-CD1 4.3Å; V24-A73 HydrophobicContact CB-CB 4.07Å; V24-A73 HydrophobicContact CG1-CB 4.03Å; V24-F80 HydrophobicContact CG2-CB 4.04Å; V24-F80 HydrophobicContact CG2-CD2 4.09Å; V24-F80 HydrophobicContact CG2-CG 4.01Å
25W97.7Very high93.2Very high1 Ų135.1 Ų35.10%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-107.8116.1171.2-157.1-46.7000109.5D32 I33 V34 W48 R77 S284 N286 R291 V293 I303W25-D32 HydrophobicContact CZ2-CB 4.4Å; W25-I33 CarbonylContact C-O 3.59Å; W25-I33 WeakPolarHBondContact CA-O 3.42Å; W25-V34 HydrophobicContact CD2-CG2 3.81Å; W25-V34 HydrophobicContact CE3-CG2 3.89Å; W25-V34 HydrophobicContact CG-CG2 4.36Å; W25-V34 HydrophobicContact CH2-CG2 4.26Å; W25-V34 HydrophobicContact CZ2-CG2 4.22Å; W25-V34 HydrophobicContact CZ3-CG2 4.12Å; W25-W48 HydrophobicContact CH2-CB 4.48Å; W25-W48 AromaticContact CH2-CD1 3.94Å; W25-W48 HydrophobicContact CH2-CD2 4.33Å; W25-W48 AromaticContact CH2-CG 3.99Å; W25-W48 HydrophobicContact CH2-CG 3.99Å; W25-W48 HydrophobicContact CZ2-CB 3.85Å; W25-W48 AromaticContact CZ2-CD1 3.52Å; W25-W48 HydrophobicContact CZ2-CD2 4.46Å; W25-W48 AromaticContact CZ2-CG 3.66Å; W25-W48 HydrophobicContact CZ2-CG 3.66Å; W25-R77 VanDerWaalsContact O-CD 3.23Å; W25-R77 WeakPolarHBondContact O-CD 3.14Å; W25-S284 PolarHBondContact N-OG 3.4Å; W25-N286 HydrophobicContact CB-CB 4.38Å; W25-N286 HydrophobicContact CD2-CB 3.45Å; W25-N286 VanDerWaalsContact CD2-CB 3.45Å; W25-N286 HydrophobicContact CE3-CB 3.97Å; W25-N286 HydrophobicContact CG-CB 3.61Å; W25-N286 HydrophobicContact CZ2-CB 4.11Å; W25-R291 HydrophobicContact CE3-CB 4.39Å; W25-R291 HydrophobicContact CH2-CB 3.4Å; W25-R291 VanDerWaalsContact CH2-CB 3.4Å; W25-R291 HydrophobicContact CH2-CG 3.94Å; W25-R291 HydrophobicContact CZ2-CB 4.12Å; W25-R291 HydrophobicContact CZ2-CG 4.4Å; W25-R291 HydrophobicContact CZ3-CB 3.55Å; W25-V293 HydrophobicContact CE3-CB 3.8Å; W25-V293 HydrophobicContact CE3-CG1 3.78Å; W25-V293 HydrophobicContact CZ3-CB 3.84Å; W25-V293 HydrophobicContact CZ3-CG1 4.35Å; W25-I303 HydrophobicContact CH2-CD1 3.96Å; W25-I303 HydrophobicContact CH2-CG1 4.35Å; W25-I303 HydrophobicContact CH2-CG2 3.95Å; W25-I303 HydrophobicContact CZ3-CD1 4.2Å; W25-I303 HydrophobicContact CZ3-CG1 4.2Å; W25-I303 HydrophobicContact CZ3-CG2 4.11Å
26V96.7Very high93.7Very high0 Ų034.6 Ų34.60%018%0.181CC..EExtended strand (participates in β ladder)trans-118.7164.1-176.4-58.90000112V24 I33 V35 A73 R77 F80 V94V24-V26 HydrophobicContact CB-CG1 4.43Å; V24-V26 HydrophobicContact CG2-CG1 4.06Å; V26-I33 HydrophobicContact CG2-CB 3.91Å; V26-I33 HydrophobicContact CG2-CG2 4.18Å; V26-I33 PolarHBondContact N-O 2.67Å; V26-I33 PolarHBondContact O-N 3.02Å; V26-V35 HydrophobicContact CG2-CG2 4.04Å; V26-A73 HydrophobicContact CG1-CB 4.13Å; V26-R77 WeakPolarHBondContact CB-O 3.37Å; V26-F80 HydrophobicContact CG1-CB 4.16Å; V26-F80 HydrophobicContact CG1-CD1 3.95Å; V26-F80 HydrophobicContact CG1-CG 4.35Å; V26-V94 HydrophobicContact CB-CG2 3.86Å; V26-V94 HydrophobicContact CG2-CB 4.42Å; V26-V94 HydrophobicContact CG2-CG1 4.2Å; V26-V94 HydrophobicContact CG2-CG2 4.07Å
27R92.1Very high94.2Very high102 Ų10234.1 Ų34.139%0.38518%0.179SC..EExtended strand (participates in β ladder)trans-122.5120.3178.1-160.5176.1-172.891.14.8110.9G30 L31 D32 R77R27-G30 PolarHBondContact NH2-O 3.27Å; R27-G30 VanDerWaalsContact NH2-O 3.09Å; R27-L31 WeakPolarHBondContact CA-O 3.4Å; R27-L31 WeakPolarHBondContact CG-O 3.16Å; R27-D32 IonicContact CZ-OD2 3.31Å; R27-D32 IonicContact NH1-OD1 3.73Å; R27-D32 PolarHBondContact NH1-OD1 3.14Å; R27-D32 VanDerWaalsContact NH1-OD1 3.1Å; R27-D32 IonicContact NH1-OD2 3.3Å; R27-D32 PolarHBondContact NH1-OD2 2.85Å; R27-R77 PolarHBondContact N-O 3.02Å
28C89.7Confident94.7Very high8 Ų824.5 Ų24.55%0.05413%0.134CC..EExtended strand (participates in β ladder)trans-125.4122.8179.9177.10000109.6G30 L31 I33 V94C28-G30 PolarHBondContact O-N 3.1Å; C28-L31 PolarHBondContact N-O 2.82Å; C28-L31 WeakPolarHBondContact O-CA 3.4Å; C28-L31 VanDerWaalsContact O-CB 3.24Å; C28-L31 WeakPolarHBondContact O-CB 3.28Å; C28-L31 PolarHBondContact O-N 2.81Å; C28-I33 HydrophobicContact CB-CD1 3.52Å; C28-I33 HydrophobicContact CB-CG1 4.47Å; C28-V94 WeakPolarHBondContact CA-O 3.37Å; C28-V94 HydrophobicContact CB-CB 4.48Å; C28-V94 WeakPolarHBondContact CB-O 3.49Å; C28-V94 PolarHBondContact SG-O 2.98Å
29H84.9Confident94.8Very high134 Ų13426.4 Ų26.462%0.6214%0.142SC*.THydrogen-bonded Turntrans47.535.3-178.1-62.6-54.3000115.2L31 R95 D96H29-L31 PolarHBondContact O-N 3.36Å; H29-R95 PolarHBondContact CE1-O 2.93Å; H29-R95 PolarHBondContact ND1-O 2.88Å; H29-D96 IonicContact CE1-OD1 3.4Å; H29-D96 PolarHBondContact CE1-OD1 2.64Å; H29-D96 VanDerWaalsContact CE1-OD1 3.3Å; H29-D96 WeakPolarHBondContact NE2-CA 3.39Å; H29-D96 IonicContact NE2-OD1 2.69Å
30G84.3Confident94.8Very high47 Ų4729.2 Ų29.249%0.48516%0.155SC..THydrogen-bonded Turntrans77.7-1.6-177.400000115.2R27 C28R27-G30 PolarHBondContact NH2-O 3.27Å; R27-G30 VanDerWaalsContact NH2-O 3.09Å; C28-G30 PolarHBondContact O-N 3.1Å
31L91.1Very high94.8Very high75 Ų7529.2 Ų29.239%0.39316%0.155SC..EExtended strand (participates in β ladder)trans-81.7139.9168.7-56.3176.1000110.2R27 C28 H29 I33 K47R27-L31 WeakPolarHBondContact CA-O 3.4Å; R27-L31 WeakPolarHBondContact CG-O 3.16Å; C28-L31 PolarHBondContact N-O 2.82Å; C28-L31 WeakPolarHBondContact O-CA 3.4Å; C28-L31 VanDerWaalsContact O-CB 3.24Å; C28-L31 WeakPolarHBondContact O-CB 3.28Å; C28-L31 PolarHBondContact O-N 2.81Å; H29-L31 PolarHBondContact O-N 3.36Å; L31-I33 HydrophobicContact CB-CG1 4.44Å; L31-K47 HydrophobicContact CD1-CD 4.29Å; L31-K47 HydrophobicContact CD2-CD 4.43Å
32D95Very high94.8Very high32 Ų3228.9 Ų28.917%0.17115%0.154CC..EExtended strand (participates in β ladder)trans-87.9120.3171.4-78.4-62.5000108.8W25 R27 W48W25-D32 HydrophobicContact CZ2-CB 4.4Å; R27-D32 IonicContact CZ-OD2 3.31Å; R27-D32 IonicContact NH1-OD1 3.73Å; R27-D32 PolarHBondContact NH1-OD1 3.14Å; R27-D32 VanDerWaalsContact NH1-OD1 3.1Å; R27-D32 IonicContact NH1-OD2 3.3Å; R27-D32 PolarHBondContact NH1-OD2 2.85Å; D32-W48 HydrophobicContact CB-CB 4.28Å; D32-W48 PolarHBondContact O-N 3.34Å
33I96Very high94.7Very high5 Ų529 Ų293%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-121.7126.9-175.6-59.5-179.1000109.4W25 V26 C28 L31 V35 A45 W46 L58W25-I33 CarbonylContact C-O 3.59Å; W25-I33 WeakPolarHBondContact CA-O 3.42Å; V26-I33 HydrophobicContact CG2-CB 3.91Å; V26-I33 HydrophobicContact CG2-CG2 4.18Å; V26-I33 PolarHBondContact N-O 2.67Å; V26-I33 PolarHBondContact O-N 3.02Å; C28-I33 HydrophobicContact CB-CD1 3.52Å; C28-I33 HydrophobicContact CB-CG1 4.47Å; L31-I33 HydrophobicContact CB-CG1 4.44Å; I33-V35 HydrophobicContact CG2-CG2 4.08Å; I33-A45 HydrophobicContact CG2-CB 4.03Å; I33-W46 CarbonylContact C-O 3.57Å; I33-W46 VanDerWaalsContact CA-O 3.29Å; I33-W46 WeakPolarHBondContact CA-O 3.28Å; I33-L58 HydrophobicContact CD1-CD1 3.61Å; I33-L58 HydrophobicContact CG1-CD1 3.79Å; I33-L58 HydrophobicContact CG2-CD1 4.19Å
34V97.2Very high94.6Very high0 Ų029 Ų290%015%0.154CC..EExtended strand (participates in β ladder)trans-93.7125.3167.7174.40000108W25 T36 A45 W46 L55 V293 I303W25-V34 HydrophobicContact CD2-CG2 3.81Å; W25-V34 HydrophobicContact CE3-CG2 3.89Å; W25-V34 HydrophobicContact CG-CG2 4.36Å; W25-V34 HydrophobicContact CH2-CG2 4.26Å; W25-V34 HydrophobicContact CZ2-CG2 4.22Å; W25-V34 HydrophobicContact CZ3-CG2 4.12Å; V34-T36 HydrophobicContact CG1-CG2 4.1Å; V34-A45 CarbonylContact O-C 3.45Å; V34-A45 WeakPolarHBondContact O-CA 3.13Å; V34-W46 HydrophobicContact CB-CB 4.42Å; V34-W46 PolarHBondContact N-O 3Å; V34-W46 PolarHBondContact O-N 3.34Å; V34-L55 HydrophobicContact CB-CD2 4.33Å; V34-L55 HydrophobicContact CG2-CD2 4.14Å; V34-V293 HydrophobicContact CG1-CG1 4.43Å; V34-V293 HydrophobicContact CG1-CG2 3.94Å; V34-V293 HydrophobicContact CG2-CG2 4.45Å; V34-I303 HydrophobicContact CG2-CD1 4.41Å
35V97.4Very high94.5Very high3 Ų329 Ų292%0.01816%0.155CC..EExtended strand (participates in β ladder)trans-107140170.6-173.70000108.5T23 V24 V26 I33 A44 A45 L71 F80 L98T23-V35 CarbonylContact C-O 3.59Å; T23-V35 WeakPolarHBondContact CA-O 3.41Å; T23-V35 PolarHBondContact OG1-O 3.49Å; V24-V35 HydrophobicContact CG2-CB 3.83Å; V24-V35 HydrophobicContact CG2-CG2 4.4Å; V24-V35 PolarHBondContact N-O 2.87Å; V24-V35 PolarHBondContact O-N 3.4Å; V26-V35 HydrophobicContact CG2-CG2 4.04Å; I33-V35 HydrophobicContact CG2-CG2 4.08Å; V35-A44 WeakPolarHBondContact CA-O 3.27Å; V35-A45 HydrophobicContact CG2-CB 4.31Å; V35-L71 HydrophobicContact CG1-CD1 4.13Å; V35-F80 HydrophobicContact CG1-CE2 4.17Å; V35-F80 HydrophobicContact CG1-CZ 4.07Å; V35-F80 HydrophobicContact CG2-CE1 4.24Å; V35-F80 HydrophobicContact CG2-CZ 4.3Å; V35-L98 HydrophobicContact CG2-CD2 4.14Å
36T97.8Very high94.4Very high0 Ų029.9 Ų29.90%016%0.158CC..EExtended strand (participates in β ladder)trans-131.8137.4-177.747.70000109.5H16 V20 V34 L43 A44 W46 V295 V301H16-T36 WeakPolarHBondContact NE2-CB 3.29Å; H16-T36 PolarHBondContact NE2-OG1 3.06Å; V20-T36 HydrophobicContact CG1-CG2 4.21Å; V34-T36 HydrophobicContact CG1-CG2 4.1Å; T36-L43 WeakPolarHBondContact O-CA 3.4Å; T36-A44 PolarHBondContact N-O 3.44Å; T36-A44 PolarHBondContact O-N 2.65Å; T36-A44 PolarHBondContact OG1-O 3.42Å; T36-W46 PolarHBondContact OG1-NE1 3.02Å; T36-W46 VanDerWaalsContact OG1-NE1 3.16Å; T36-V295 HydrophobicContact CG2-CG1 3.98Å; T36-V301 HydrophobicContact CG2-CG2 4.1Å
37G97Very high94.3Very high0 Ų032.2 Ų32.20%017%0.168CC..EExtended strand (participates in β ladder)trans-119.7130177.700000111.4L21 S22 N42L21-G37 PolarHBondContact N-O 3.41Å; S22-G37 PolarHBondContact N-O 2.91Å; S22-G37 PolarHBondContact O-N 3.05Å; G37-N42 WeakPolarHBondContact CA-O 3.11Å
38D96.4Very high94.5Very high2 Ų227.9 Ų27.91%0.01115%0.152CC..EExtended strand (participates in β ladder)trans-105174.3-175.377.65.3000113.8H16 C18 P19 D40 G41 N42 G67 V68H16-D38 HydrophobicContact CB-CB 3.99Å; H16-D38 IonicContact CG-OD2 3.58Å; H16-D38 IonicContact ND1-OD2 3.1Å; H16-D38 PolarHBondContact ND1-OD2 3.05Å; C18-D38 HydrophobicContact CB-CB 4.42Å; P19-D38 WeakPolarHBondContact O-CA 3.41Å; D38-D40 PolarHBondContact O-N 3.28Å; D38-D40 WeakPolarHBondContact OD1-CA 3.16Å; D38-D40 PolarHBondContact OD1-N 3.22Å; D38-G41 PolarHBondContact O-N 3.2Å; D38-G41 PolarHBondContact OD1-N 3.01Å; D38-N42 PolarHBondContact N-O 3.23Å; D38-N42 VanDerWaalsContact N-O 3.16Å; D38-N42 PolarHBondContact OD1-N 3.39Å; D38-N42 PolarHBondContact OD1-ND2 2.7Å; D38-N42 WeakPolarHBondContact OD2-CB 3.48Å; D38-N42 PolarHBondContact OD2-ND2 2.84Å; D38-G67 CarbonylContact O-C 3.51Å; D38-G67 WeakPolarHBondContact O-CA 3.49Å; D38-V68 PolarHBondContact O-N 2.92Å
39L96Very high94.9Very high68 Ų6829 Ų2936%0.35616%0.157SC..THydrogen-bonded Turntrans-68.6-11.9176.9-91.9-177.4000115.4C18 P19 L21 G67C18-L39 HydrophobicContact CB-CB 4.31Å; P19-L39 HydrophobicContact CB-CD1 3.65Å; P19-L39 HydrophobicContact CB-CG 4.11Å; P19-L39 HydrophobicContact CG-CD1 3.66Å; P19-L39 PolarHBondContact O-N 3.08Å; L21-L39 HydrophobicContact CD1-CD2 3.36Å; L21-L39 HydrophobicContact CD1-CG 3.8Å; L21-L39 HydrophobicContact CD2-CG 4.15Å; L21-L39 HydrophobicContact CG-CD2 4.03Å; L21-L39 HydrophobicContact CG-CG 3.88Å; L39-G67 WeakPolarHBondContact O-CA 3.42Å; L39-G67 PolarHBondContact O-N 2.93Å
40D95.6Very high95.3Very high92 Ų9225.5 Ų25.549%0.49214%0.143SC..THydrogen-bonded Turntrans-95.5-7.5178.4-77.6-9.1000112.9C18 D38C18-D40 PolarHBondContact SG-OD1 3.35Å; C18-D40 PolarHBondContact SG-OD2 2.76Å; D38-D40 PolarHBondContact O-N 3.28Å; D38-D40 WeakPolarHBondContact OD1-CA 3.16Å; D38-D40 PolarHBondContact OD1-N 3.22Å
41G95.9Very high95.8Very high0 Ų031 Ų310%016%0.161CC..SBendtrans97.88.9178.900000113.5D38 A63 H64 L66D38-G41 PolarHBondContact O-N 3.2Å; D38-G41 PolarHBondContact OD1-N 3.01Å; G41-A63 WeakPolarHBondContact O-CB 3.43Å; G41-A63 PolarHBondContact O-N 2.99Å; G41-A63 VanDerWaalsContact O-N 3.07Å; G41-H64 PolarHBondContact O-N 2.92Å; G41-L66 WeakPolarHBondContact CA-O 3.28Å
42N95.8Very high96Very high28 Ų2833.7 Ų33.715%0.1517%0.172CC..EExtended strand (participates in β ladder)trans-82.6143.9179.3-52-53.6000110.8G37 D38 L61G37-N42 WeakPolarHBondContact CA-O 3.11Å; D38-N42 PolarHBondContact N-O 3.23Å; D38-N42 VanDerWaalsContact N-O 3.16Å; D38-N42 PolarHBondContact OD1-N 3.39Å; D38-N42 PolarHBondContact OD1-ND2 2.7Å; D38-N42 WeakPolarHBondContact OD2-CB 3.48Å; D38-N42 PolarHBondContact OD2-ND2 2.84Å; N42-L61 WeakPolarHBondContact CA-O 3.34Å
43L96.1Very high96.1Very high5 Ų535.5 Ų35.53%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-110.4129.6163.2-61.8-178.1000108.7T36 E60 L61 A63 V68 L71 F80 Y92T36-L43 WeakPolarHBondContact O-CA 3.4Å; L43-E60 WeakPolarHBondContact O-CA 3.44Å; L43-L61 HydrophobicContact CB-CG 4.29Å; L43-L61 PolarHBondContact N-O 3.08Å; L43-L61 PolarHBondContact O-N 2.86Å; L43-A63 HydrophobicContact CB-CB 4.44Å; L43-A63 HydrophobicContact CD1-CB 3.8Å; L43-A63 HydrophobicContact CG-CB 3.68Å; L43-V68 HydrophobicContact CD2-CG1 4.18Å; L43-V68 HydrophobicContact CD2-CG2 3.92Å; L43-L71 HydrophobicContact CD2-CD1 4.32Å; L43-L71 HydrophobicContact CD2-CD2 3.83Å; L43-F80 HydrophobicContact CD1-CE2 4.33Å; L43-Y92 HydrophobicContact CD1-CE1 4.22Å; L43-Y92 HydrophobicContact CD1-CE2 3.97Å; L43-Y92 WeakPolarHBondContact CD1-OH 3.37Å
44A95.5Very high96.1Very high2 Ų239.8 Ų39.82%0.01720%0.199CC..EExtended strand (participates in β ladder)trans-119.7132.9170.100000109.9H16 V35 T36 W46 E60H16-A44 VanDerWaalsContact CE1-CB 3.48Å; H16-A44 WeakPolarHBondContact CE1-CB 3.28Å; V35-A44 WeakPolarHBondContact CA-O 3.27Å; T36-A44 PolarHBondContact N-O 3.44Å; T36-A44 PolarHBondContact O-N 2.65Å; T36-A44 PolarHBondContact OG1-O 3.42Å; A44-W46 HydrophobicContact CB-CZ2 3.72Å; A44-W46 PolarHBondContact O-NE1 3.23Å; A44-E60 HydrophobicContact CB-CG 4.27Å
45A95.5Very high96.1Very high6 Ų640 Ų405%0.0520%0.2CC..EExtended strand (participates in β ladder)trans-112.4138178.200000111.6I33 V34 V35 L58 E59 L98I33-A45 HydrophobicContact CG2-CB 4.03Å; V34-A45 CarbonylContact O-C 3.45Å; V34-A45 WeakPolarHBondContact O-CA 3.13Å; V35-A45 HydrophobicContact CG2-CB 4.31Å; A45-L58 HydrophobicContact CB-CB 4.49Å; A45-L58 PolarHBondContact O-N 3.17Å; A45-E59 PolarHBondContact N-O 3.21Å; A45-E59 PolarHBondContact O-N 3.16Å; A45-L98 HydrophobicContact CB-CD1 3.15Å; A45-L98 HydrophobicContact CB-CD2 4.46Å; A45-L98 HydrophobicContact CB-CG 4.43Å
46W95.8Very high95.9Very high19 Ų1943.3 Ų43.37%0.07222%0.215CC..EExtended strand (participates in β ladder)trans-133124.6-170.1-50.787000109.4V15 I33 V34 T36 A44 W48 L55 E56 P57V15-W46 HydrophobicContact CB-CZ2 4.31Å; V15-W46 HydrophobicContact CG1-CD2 4.1Å; V15-W46 HydrophobicContact CG1-CH2 3.67Å; V15-W46 HydrophobicContact CG1-CZ2 3.02Å; V15-W46 HydrophobicContact CG1-CZ3 4.41Å; I33-W46 CarbonylContact C-O 3.57Å; I33-W46 VanDerWaalsContact CA-O 3.29Å; I33-W46 WeakPolarHBondContact CA-O 3.28Å; V34-W46 HydrophobicContact CB-CB 4.42Å; V34-W46 PolarHBondContact N-O 3Å; V34-W46 PolarHBondContact O-N 3.34Å; T36-W46 PolarHBondContact OG1-NE1 3.02Å; T36-W46 VanDerWaalsContact OG1-NE1 3.16Å; A44-W46 HydrophobicContact CB-CZ2 3.72Å; A44-W46 PolarHBondContact O-NE1 3.23Å; W46-W48 PolarHBondContact O-N 2.99Å; W46-L55 HydrophobicContact CB-CB 4.11Å; W46-L55 HydrophobicContact CB-CD1 4.25Å; W46-L55 HydrophobicContact CB-CD2 3.77Å; W46-L55 HydrophobicContact CB-CG 4.27Å; W46-L55 HydrophobicContact CE3-CB 4.42Å; W46-L55 HydrophobicContact CG-CD1 4.47Å; W46-E56 CarbonylContact C-O 3.57Å; W46-E56 VanDerWaalsContact CA-O 3.29Å; W46-E56 WeakPolarHBondContact CA-O 3.43Å; W46-P57 HydrophobicContact CE3-CB 4.05Å; W46-P57 HydrophobicContact CH2-CB 4.43Å; W46-P57 HydrophobicContact CZ3-CB 3.73Å; W46-P57 HydrophobicContact CZ3-CG 4.45Å
47K95.3Very high95.8Very high48 Ų4847.8 Ų47.821%0.20925%0.245CC..EExtended strand (participates in β ladder)trans-76.4122.3171.6-178.7176.2158.9-135.10109L31 L49 L55 E56 L58L31-K47 HydrophobicContact CD1-CD 4.29Å; L31-K47 HydrophobicContact CD2-CD 4.43Å; K47-L49 HydrophobicContact CD-CD2 4.25Å; K47-L49 VanDerWaalsContact CE-CD2 3.47Å; K47-L49 HydrophobicContact CG-CD2 4.19Å; K47-L55 WeakPolarHBondContact O-CA 3.26Å; K47-E56 HydrophobicContact CB-CB 4.35Å; K47-E56 PolarHBondContact N-O 3.44Å; K47-E56 IonicContact NZ-OE2 3.8Å; K47-E56 PolarHBondContact NZ-OE2 3.41Å; K47-E56 PolarHBondContact O-N 3.18Å; K47-L58 HydrophobicContact CB-CD1 3.75Å; K47-L58 HydrophobicContact CB-CD2 3.93Å; K47-L58 HydrophobicContact CB-CG 3.71Å; K47-L58 HydrophobicContact CD-CD2 4.26Å
48W97.2Very high95.5Very high12 Ų1251.7 Ų51.75%0.04527%0.265CS..EExtended strand (participates in β ladder)trans-83.4121.6172.6177.4-114.3000110.9L9 F10 W25 D32 W46 D50 H53 L55 I303L9-W48 HydrophobicContact CB-CH2 4.25Å; L9-W48 HydrophobicContact CB-CZ2 4.39Å; L9-W48 HydrophobicContact CD1-CZ2 4.23Å; F10-W48 HydrophobicContact CB-CH2 3.61Å; F10-W48 HydrophobicContact CB-CZ3 3.6Å; F10-W48 HydrophobicContact CD1-CZ3 4.38Å; F10-W48 HydrophobicContact CD2-CZ3 4.3Å; F10-W48 HydrophobicContact CG-CH2 4.38Å; F10-W48 AromaticContact CG-CZ3 3.87Å; F10-W48 HydrophobicContact CG-CZ3 3.87Å; W25-W48 HydrophobicContact CH2-CB 4.48Å; W25-W48 AromaticContact CH2-CD1 3.94Å; W25-W48 HydrophobicContact CH2-CD2 4.33Å; W25-W48 AromaticContact CH2-CG 3.99Å; W25-W48 HydrophobicContact CH2-CG 3.99Å; W25-W48 HydrophobicContact CZ2-CB 3.85Å; W25-W48 AromaticContact CZ2-CD1 3.52Å; W25-W48 HydrophobicContact CZ2-CD2 4.46Å; W25-W48 AromaticContact CZ2-CG 3.66Å; W25-W48 HydrophobicContact CZ2-CG 3.66Å; D32-W48 HydrophobicContact CB-CB 4.28Å; D32-W48 PolarHBondContact O-N 3.34Å; W46-W48 PolarHBondContact O-N 2.99Å; W48-D50 PolarHBondContact NE1-OD1 2.82Å; W48-H53 VanDerWaalsContact CH2-C 3.45Å; W48-H53 HydrophobicContact CH2-CB 3.84Å; W48-H53 HydrophobicContact CZ2-CB 4.39Å; W48-H53 VanDerWaalsContact CZ3-C 3.41Å; W48-L55 HydrophobicContact CB-CD2 3.98Å; W48-L55 HydrophobicContact CD2-CD2 4.43Å; W48-L55 HydrophobicContact CE3-CD2 3.68Å; W48-L55 HydrophobicContact CE3-CG 3.92Å; W48-L55 HydrophobicContact CZ3-CG 4.37Å; W48-I303 HydrophobicContact CD2-CD1 3.77Å; W48-I303 HydrophobicContact CE3-CD1 3.32Å; W48-I303 HydrophobicContact CH2-CB 4.15Å; W48-I303 HydrophobicContact CH2-CD1 4.04Å; W48-I303 HydrophobicContact CH2-CG2 3.98Å; W48-I303 HydrophobicContact CZ2-CD1 4.45Å; W48-I303 HydrophobicContact CZ2-CG2 3.85Å; W48-I303 HydrophobicContact CZ3-CB 4.38Å; W48-I303 HydrophobicContact CZ3-CD1 3.47Å; W48-I303 VanDerWaalsContact CZ3-CD1 3.47Å; W48-I303 HydrophobicContact CZ3-CG1 4.48Å
49L96.5Very high95.3Very high30 Ų3055.9 Ų55.916%0.15729%0.285CS..EExtended strand (participates in β ladder)trans-99.691.6173.6-62.2-172.6000110K47 N51 E52 H53 E54 E56K47-L49 HydrophobicContact CD-CD2 4.25Å; K47-L49 VanDerWaalsContact CE-CD2 3.47Å; K47-L49 HydrophobicContact CG-CD2 4.19Å; L49-N51 VanDerWaalsContact C-N 3.3Å; L49-N51 PolarHBondContact O-N 3.43Å; L49-E52 HydrophobicContact CB-CB 4.1Å; L49-E52 VanDerWaalsContact CD1-OE2 3.27Å; L49-E52 WeakPolarHBondContact CD1-OE2 3.42Å; L49-E52 PolarHBondContact O-N 2.94Å; L49-H53 WeakPolarHBondContact O-CA 3.12Å; L49-H53 PolarHBondContact O-N 3.47Å; L49-E54 PolarHBondContact N-O 2.67Å; L49-E54 PolarHBondContact O-N 2.73Å; L49-E56 HydrophobicContact CD1-CG 3.67Å; L49-E56 HydrophobicContact CG-CG 4.11Å
50D94.4Very high95.1Very high61 Ų6159 Ų5933%0.32630%0.297SS..THydrogen-bonded Turntrans-60.1-36.3-172.2-158.856.1000113.8W48 E52 H53 R291W48-D50 PolarHBondContact NE1-OD1 2.82Å; D50-E52 VanDerWaalsContact C-N 3.3Å; D50-E52 PolarHBondContact O-N 2.88Å; D50-H53 PolarHBondContact O-CD2 2.79Å; D50-R291 VanDerWaalsContact CG-NH2 3.32Å; D50-R291 IonicContact OD1-CZ 3.3Å; D50-R291 VanDerWaalsContact OD1-CZ 3.31Å; D50-R291 IonicContact OD1-NE 3.8Å; D50-R291 PolarHBondContact OD1-NE 3.26Å; D50-R291 IonicContact OD1-NH2 2.7Å; D50-R291 PolarHBondContact OD1-NH2 3.31Å; D50-R291 IonicContact OD2-CZ 3.74Å; D50-R291 IonicContact OD2-NE 3.05Å; D50-R291 IonicContact OD2-NH2 3.67Å; D50-R291 PolarHBondContact OD2-NH2 2.73Å
51N94.3Very high94.9Very high163 Ų16356.9 Ų56.987%0.87229%0.286SS*.THydrogen-bonded Turntrans-70.7-25.7178.8-67.3-35.4000113.6L49L49-N51 VanDerWaalsContact C-N 3.3Å; L49-N51 PolarHBondContact O-N 3.43Å
52E96.3Very high94.7Very high131 Ų13162.2 Ų62.261%0.61232%0.318SS*.THydrogen-bonded Turntrans-102.6-11.5-176.1-60.4-176.2-178.800111.5L49 D50 E54L49-E52 HydrophobicContact CB-CB 4.1Å; L49-E52 VanDerWaalsContact CD1-OE2 3.27Å; L49-E52 WeakPolarHBondContact CD1-OE2 3.42Å; L49-E52 PolarHBondContact O-N 2.94Å; D50-E52 VanDerWaalsContact C-N 3.3Å; D50-E52 PolarHBondContact O-N 2.88Å; E52-E54 VanDerWaalsContact C-N 3.3Å; E52-E54 HydrophobicContact CB-CB 4.32Å
53H96.2Very high94.6Very high71 Ų7161.2 Ų61.233%0.32931%0.314SS..THydrogen-bonded Turntrans49.649-168.6-55.1146.3000112L9 F10 W48 L49 D50L9-H53 HydrophobicContact CB-CB 4.32Å; F10-H53 WeakPolarHBondContact CD2-O 3.16Å; W48-H53 VanDerWaalsContact CH2-C 3.45Å; W48-H53 HydrophobicContact CH2-CB 3.84Å; W48-H53 HydrophobicContact CZ2-CB 4.39Å; W48-H53 VanDerWaalsContact CZ3-C 3.41Å; L49-H53 WeakPolarHBondContact O-CA 3.12Å; L49-H53 PolarHBondContact O-N 3.47Å; D50-H53 PolarHBondContact O-CD2 2.79Å
54E96.4Very high94.6Very high95 Ų9561.1 Ų61.144%0.44431%0.313SS..EExtended strand (participates in β ladder)trans-128.3148.9-176.7-173.3165-174.600112.4L49 E52L49-E54 PolarHBondContact N-O 2.67Å; L49-E54 PolarHBondContact O-N 2.73Å; E52-E54 VanDerWaalsContact C-N 3.3Å; E52-E54 HydrophobicContact CB-CB 4.32Å
55L95.9Very high94.6Very high3 Ų369.6 Ų69.62%0.01635%0.345CS..EExtended strand (participates in β ladder)trans-104.3109.9167.6-75179.6000110.3F10 V34 W46 K47 W48 V301 I303F10-L55 HydrophobicContact CD1-CD1 4.11Å; F10-L55 HydrophobicContact CD1-CG 4.25Å; F10-L55 HydrophobicContact CE1-CB 4.08Å; F10-L55 HydrophobicContact CE1-CD1 3.5Å; F10-L55 HydrophobicContact CE1-CG 3.79Å; F10-L55 HydrophobicContact CE2-CB 4.41Å; F10-L55 HydrophobicContact CZ-CB 3.76Å; F10-L55 HydrophobicContact CZ-CD1 4.06Å; F10-L55 HydrophobicContact CZ-CG 3.98Å; V34-L55 HydrophobicContact CB-CD2 4.33Å; V34-L55 HydrophobicContact CG2-CD2 4.14Å; W46-L55 HydrophobicContact CB-CB 4.11Å; W46-L55 HydrophobicContact CB-CD1 4.25Å; W46-L55 HydrophobicContact CB-CD2 3.77Å; W46-L55 HydrophobicContact CB-CG 4.27Å; W46-L55 HydrophobicContact CE3-CB 4.42Å; W46-L55 HydrophobicContact CG-CD1 4.47Å; K47-L55 WeakPolarHBondContact O-CA 3.26Å; W48-L55 HydrophobicContact CB-CD2 3.98Å; W48-L55 HydrophobicContact CD2-CD2 4.43Å; W48-L55 HydrophobicContact CE3-CD2 3.68Å; W48-L55 HydrophobicContact CE3-CG 3.92Å; W48-L55 HydrophobicContact CZ3-CG 4.37Å; L55-V301 HydrophobicContact CD1-CB 4.38Å; L55-V301 HydrophobicContact CD1-CG1 3.72Å; L55-I303 HydrophobicContact CD1-CD1 4.03Å; L55-I303 HydrophobicContact CD2-CD1 3.89Å; L55-I303 HydrophobicContact CG-CD1 3.99Å
56E94.9Very high94.6Very high73 Ų7373.6 Ų73.634%0.34137%0.365SS..EExtended strand (participates in β ladder)trans-86.1131.8170.8-64.1-176.1138.900109.9W46 K47 L49 L58W46-E56 CarbonylContact C-O 3.57Å; W46-E56 VanDerWaalsContact CA-O 3.29Å; W46-E56 WeakPolarHBondContact CA-O 3.43Å; K47-E56 HydrophobicContact CB-CB 4.35Å; K47-E56 PolarHBondContact N-O 3.44Å; K47-E56 IonicContact NZ-OE2 3.8Å; K47-E56 PolarHBondContact NZ-OE2 3.41Å; K47-E56 PolarHBondContact O-N 3.18Å; L49-E56 HydrophobicContact CD1-CG 3.67Å; L49-E56 HydrophobicContact CG-CG 4.11Å; E56-L58 PolarHBondContact O-N 3.16Å
57P94.2Very high94.6Very high95 Ų9572.8 Ų72.862%0.61736%0.363SS*.EExtended strand (participates in β ladder)trans-64.1134173.227.1-32.4000110.6W46W46-P57 HydrophobicContact CE3-CB 4.05Å; W46-P57 HydrophobicContact CH2-CB 4.43Å; W46-P57 HydrophobicContact CZ3-CB 3.73Å; W46-P57 HydrophobicContact CZ3-CG 4.45Å
58L92.2Very high94.6Very high81 Ų8170.5 Ų70.542%0.42435%0.353SS..EExtended strand (participates in β ladder)trans-106.1-55.7174.5-75.1175.4000111.7I33 A45 K47 E56I33-L58 HydrophobicContact CD1-CD1 3.61Å; I33-L58 HydrophobicContact CG1-CD1 3.79Å; I33-L58 HydrophobicContact CG2-CD1 4.19Å; A45-L58 HydrophobicContact CB-CB 4.49Å; A45-L58 PolarHBondContact O-N 3.17Å; K47-L58 HydrophobicContact CB-CD1 3.75Å; K47-L58 HydrophobicContact CB-CD2 3.93Å; K47-L58 HydrophobicContact CB-CG 3.71Å; K47-L58 HydrophobicContact CD-CD2 4.26Å; E56-L58 PolarHBondContact O-N 3.16Å
59E91.5Very high94.5Very high91 Ų9170.8 Ų70.843%0.42536%0.358SS..EExtended strand (participates in β ladder)trans-153.2144.8-172.8-174172.8179.400109.4A45 L61 L98A45-E59 PolarHBondContact N-O 3.21Å; A45-E59 PolarHBondContact O-N 3.16Å; E59-L61 HydrophobicContact CG-CD2 4.37Å; E59-L98 HydrophobicContact CB-CD1 4.33Å
60E92.1Very high94.4Very high132 Ų13270.8 Ų70.862%0.61736%0.359SS*.EExtended strand (participates in β ladder)trans-134.6132.2171.2-173.7177.9179.400107.8L43 A44L43-E60 WeakPolarHBondContact O-CA 3.44Å; A44-E60 HydrophobicContact CB-CG 4.27Å
61L90.9Very high94.6Very high48 Ų4868.2 Ų68.225%0.25135%0.345SS..EExtended strand (participates in β ladder)trans-142.1138.3-178.668106.1000111N42 L43 E59 A63N42-L61 WeakPolarHBondContact CA-O 3.34Å; L43-L61 HydrophobicContact CB-CG 4.29Å; L43-L61 PolarHBondContact N-O 3.08Å; L43-L61 PolarHBondContact O-N 2.86Å; E59-L61 HydrophobicContact CG-CD2 4.37Å; L61-A63 VanDerWaalsContact C-N 3.31Å; L61-A63 HydrophobicContact CD1-CB 3.59Å; L61-A63 PolarHBondContact O-N 2.83Å
62V92.4Very high94.7Very high113 Ų11362.6 Ų62.669%0.68531%0.313SS*.EExtended strand (participates in β ladder)trans-72.591.5168.3-174.10000106.9
63A93.4Very high94.7Very high6 Ų656.6 Ų56.65%0.0529%0.286CS..  trans-73.9-71.5-178.600000108.2G41 L43 L61 R90G41-A63 WeakPolarHBondContact O-CB 3.43Å; G41-A63 PolarHBondContact O-N 2.99Å; G41-A63 VanDerWaalsContact O-N 3.07Å; L43-A63 HydrophobicContact CB-CB 4.44Å; L43-A63 HydrophobicContact CD1-CB 3.8Å; L43-A63 HydrophobicContact CG-CB 3.68Å; L61-A63 VanDerWaalsContact C-N 3.31Å; L61-A63 HydrophobicContact CD1-CB 3.59Å; L61-A63 PolarHBondContact O-N 2.83Å; A63-R90 PolarHBondContact O-NH1 3.46Å; A63-R90 PolarHBondContact O-NH2 2.9Å
64H95.8Very high94.6Very high4 Ų453.2 Ų53.22%0.01927%0.27CS..  trans-97165.9-169.1-69.6-86.6000112.8G41 L66 S82 S84 D86 E88G41-H64 PolarHBondContact O-N 2.92Å; H64-L66 VanDerWaalsContact CB-O 3.27Å; H64-L66 WeakPolarHBondContact CB-O 3.34Å; H64-S82 PolarHBondContact NE2-OG 3Å; H64-S84 VanDerWaalsContact CB-CB 3.42Å; H64-S84 WeakPolarHBondContact CB-OG 3.33Å; H64-S84 WeakPolarHBondContact ND1-CB 3.46Å; H64-D86 WeakPolarHBondContact CB-OD2 3.29Å; H64-D86 IonicContact CG-OD2 3.17Å; H64-D86 IonicContact ND1-OD1 3.81Å; H64-D86 PolarHBondContact ND1-OD1 3.49Å; H64-D86 IonicContact ND1-OD2 2.64Å; H64-D86 PolarHBondContact ND1-OD2 2.82Å; H64-E88 PolarHBondContact CE1-O 3.02Å; H64-E88 VanDerWaalsContact CE1-O 3.29Å
65R95.1Very high94.3Very high179 Ų17951.8 Ų51.868%0.67527%0.269SS*.SBendtrans-82.9-16.7175.1-67.5-179.7-67.6-144.4-3.2113.1D86R65-D86 HydrophobicContact CB-CB 4.2Å; R65-D86 PolarHBondContact N-OD2 2.85Å
66L95.5Very high94.1Very high90 Ų9056 Ų5647%0.47129%0.292SS..SBendtrans-138170.9178.3-62.8177.6000108.8G41 H64 S84 L85 D86G41-L66 WeakPolarHBondContact CA-O 3.28Å; H64-L66 VanDerWaalsContact CB-O 3.27Å; H64-L66 WeakPolarHBondContact CB-O 3.34Å; L66-S84 VanDerWaalsContact C-OG 3.25Å; L66-S84 PolarHBondContact O-OG 3.17Å; L66-L85 HydrophobicContact CB-CB 3.92Å; L66-L85 HydrophobicContact CD1-CB 4.12Å; L66-D86 HydrophobicContact CB-CB 4.17Å; L66-D86 HydrophobicContact CD1-CB 4.21Å; L66-D86 HydrophobicContact CG-CB 4.16Å
67G95.2Very high94Very high3 Ų354.5 Ų54.53%0.03128%0.283CS..  trans-50.8140.2-177.500000115.4D38 L39 A69 S84 L85D38-G67 CarbonylContact O-C 3.51Å; D38-G67 WeakPolarHBondContact O-CA 3.49Å; L39-G67 WeakPolarHBondContact O-CA 3.42Å; L39-G67 PolarHBondContact O-N 2.93Å; G67-A69 PolarHBondContact O-N 3.17Å; G67-S84 VanDerWaalsContact O-CA 3.27Å; G67-S84 WeakPolarHBondContact O-CA 3.48Å; G67-S84 WeakPolarHBondContact O-CB 3.4Å; G67-S84 PolarHBondContact O-OG 2.92Å; G67-L85 PolarHBondContact O-N 3.39Å; G67-L85 VanDerWaalsContact O-N 3.09Å
68V96.1Very high93.9Very high0 Ų051.4 Ų51.40%026%0.262CS..EExtended strand (participates in β ladder)trans-76.8111.2174.1-1740000108.1D38 L43 L71 F83D38-V68 PolarHBondContact O-N 2.92Å; L43-V68 HydrophobicContact CD2-CG1 4.18Å; L43-V68 HydrophobicContact CD2-CG2 3.92Å; V68-L71 HydrophobicContact CG1-CD2 3.93Å; V68-L71 HydrophobicContact CG1-CG 4.12Å; V68-F83 CarbonylContact C-O 3.59Å
69A94.8Very high94Very high18 Ų1848.8 Ų48.815%0.14925%0.248CC..EExtended strand (participates in β ladder)trans-85.7-34.7-178.400000112.3G67 F83 L85G67-A69 PolarHBondContact O-N 3.17Å; A69-F83 HydrophobicContact CB-CD1 3.99Å; A69-F83 HydrophobicContact CB-CE1 4.16Å; A69-F83 PolarHBondContact N-O 3.33Å; A69-L85 HydrophobicContact CB-CD2 4.17Å
70T95.5Very high94.3Very high29 Ų2944.6 Ų44.618%0.17823%0.228CC..EExtended strand (participates in β ladder)trans-141.2133.2-176.4-53.70000110.4H72 S82 F83T70-H72 HydrophobicContact CG2-CB 4.42Å; T70-S82 CarbonylContact O-C 3.59Å; T70-S82 WeakPolarHBondContact O-CA 3.23Å; T70-F83 PolarHBondContact N-O 3.48Å; T70-F83 PolarHBondContact O-N 2.8Å
71L97.1Very high94.5Very high8 Ų838.3 Ų38.34%0.04220%0.199CC..EExtended strand (participates in β ladder)trans-112.1136.6156.9-64177.6000107.8S22 V24 V35 L43 V68 F80 L81 S82S22-L71 WeakPolarHBondContact OG-CB 3.45Å; S22-L71 PolarHBondContact OG-N 3.47Å; V24-L71 HydrophobicContact CB-CB 4.4Å; V24-L71 HydrophobicContact CG1-CB 3.6Å; V24-L71 HydrophobicContact CG2-CB 4.13Å; V24-L71 HydrophobicContact CG2-CD1 4.3Å; V35-L71 HydrophobicContact CG1-CD1 4.13Å; L43-L71 HydrophobicContact CD2-CD1 4.32Å; L43-L71 HydrophobicContact CD2-CD2 3.83Å; V68-L71 HydrophobicContact CG1-CD2 3.93Å; V68-L71 HydrophobicContact CG1-CG 4.12Å; L71-F80 HydrophobicContact CD2-CD2 4.2Å; L71-F80 HydrophobicContact CD2-CE2 4.18Å; L71-L81 VanDerWaalsContact CA-O 3.28Å; L71-L81 WeakPolarHBondContact CA-O 3Å; L71-S82 VanDerWaalsContact CD2-CB 3.43Å
72H96.8Very high94.8Very high45 Ų4536 Ų3621%0.20819%0.187CC..EExtended strand (participates in β ladder)trans-142.5122.4176.8-175-87.5000110.4T70 F80 L81 L116T70-H72 HydrophobicContact CG2-CB 4.42Å; H72-F80 CarbonylContact O-C 3.59Å; H72-F80 VanDerWaalsContact O-CA 3.23Å; H72-F80 WeakPolarHBondContact O-CA 3.47Å; H72-L81 HydrophobicContact CB-CD1 4Å; H72-L81 HydrophobicContact CB-CG 4.14Å; H72-L81 PolarHBondContact N-O 2.61Å; H72-L81 PolarHBondContact O-N 2.67Å; H72-L116 PolarHBondContact ND1-N 2.91Å; H72-L116 VanDerWaalsContact ND1-N 3.14Å; H72-L116 WeakPolarHBondContact O-CD1 3.33Å
73A96.2Very high95Very high4 Ų430.8 Ų30.83%0.03316%0.155CC..EExtended strand (participates in β ladder)trans-96.2145.1176.900000110.9V24 V26 F79 F80V24-A73 HydrophobicContact CB-CB 4.07Å; V24-A73 HydrophobicContact CG1-CB 4.03Å; V26-A73 HydrophobicContact CG1-CB 4.13Å; A73-F79 VanDerWaalsContact CA-O 3.3Å; A73-F79 WeakPolarHBondContact CA-O 3.3Å; A73-F80 HydrophobicContact CB-CB 4.1Å
74N93.9Very high95.1Very high0 Ų030.5 Ų30.50%015%0.152CC..  trans-70.3165.6170.677.1-37.3000110.8D76 R77 T78 F79 L116 P118N74-D76 PolarHBondContact ND2-OD1 3.02Å; N74-D76 PolarHBondContact O-N 3.22Å; N74-D76 PolarHBondContact OD1-OD1 2.98Å; N74-R77 WeakPolarHBondContact O-CD 3.41Å; N74-R77 PolarHBondContact O-N 3.27Å; N74-R77 PolarHBondContact OD1-N 3.35Å; N74-T78 PolarHBondContact OD1-N 2.9Å; N74-T78 VanDerWaalsContact OD1-N 3.16Å; N74-F79 PolarHBondContact N-O 3.44Å; N74-F79 PolarHBondContact OD1-N 2.89Å; N74-F79 PolarHBondContact OD1-O 2.99Å; N74-L116 HydrophobicContact CB-CB 4.38Å; N74-L116 HydrophobicContact CB-CD1 4.21Å; N74-P118 PolarHBondContact ND2-O 3.12Å
75P91.5Very high94.9Very high65 Ų6533.3 Ų33.342%0.42217%0.167SC..THydrogen-bonded Turntrans-59.3-36.8-172.2-29.337.6000115.6R77 P118P75-R77 PolarHBondContact O-N 2.88Å; P75-P118 HydrophobicContact CG-CB 4.07Å
76D89.8Confident94.9Very high92 Ų9225.4 Ų25.449%0.49214%0.138SC..THydrogen-bonded Turntrans-80.3-2.8178.27113.3000113.6N74 T78N74-D76 PolarHBondContact ND2-OD1 3.02Å; N74-D76 PolarHBondContact O-N 3.22Å; N74-D76 PolarHBondContact OD1-OD1 2.98Å; D76-T78 HydrophobicContact CB-CG2 4.49Å; D76-T78 VanDerWaalsContact CG-OG1 3.25Å; D76-T78 PolarHBondContact O-N 2.74Å; D76-T78 WeakPolarHBondContact OD1-CB 3.42Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.32Å; D76-T78 PolarHBondContact OD1-N 2.83Å; D76-T78 PolarHBondContact OD1-OG1 2.8Å; D76-T78 PolarHBondContact OD2-OG1 3.05Å
77R94.2Very high94.7Very high42 Ų4221.5 Ų21.516%0.15812%0.118CC..SBendtrans6324.7176.3-54.5-54.5-162.5-1542.3114.1W25 V26 R27 N74 P75 L285 A287W25-R77 VanDerWaalsContact O-CD 3.23Å; W25-R77 WeakPolarHBondContact O-CD 3.14Å; V26-R77 WeakPolarHBondContact CB-O 3.37Å; R27-R77 PolarHBondContact N-O 3.02Å; N74-R77 WeakPolarHBondContact O-CD 3.41Å; N74-R77 PolarHBondContact O-N 3.27Å; N74-R77 PolarHBondContact OD1-N 3.35Å; P75-R77 PolarHBondContact O-N 2.88Å; R77-L285 PolarHBondContact NH2-O 3.43Å; R77-A287 HydrophobicContact CG-CB 3.97Å
78T92Very high94.7Very high29 Ų2923 Ų2318%0.17812%0.124CC..SBendtrans-96.3-17177.663.70000113.7N74 D76 V94 R95N74-T78 PolarHBondContact OD1-N 2.9Å; N74-T78 VanDerWaalsContact OD1-N 3.16Å; D76-T78 HydrophobicContact CB-CG2 4.49Å; D76-T78 VanDerWaalsContact CG-OG1 3.25Å; D76-T78 PolarHBondContact O-N 2.74Å; D76-T78 WeakPolarHBondContact OD1-CB 3.42Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.32Å; D76-T78 PolarHBondContact OD1-N 2.83Å; D76-T78 PolarHBondContact OD1-OG1 2.8Å; D76-T78 PolarHBondContact OD2-OG1 3.05Å; T78-V94 WeakPolarHBondContact O-CG2 3.35Å; T78-V94 PolarHBondContact O-N 2.83Å; T78-R95 HydrophobicContact CG2-CG 4.15Å
79F94.3Very high94.7Very high27 Ų2723 Ų2312%0.11812%0.124CC..EExtended strand (participates in β ladder)trans-127.1149.3171.5-65.3-91.1000110.3A73 N74 V91 Y92 D93 R95 L116A73-F79 VanDerWaalsContact CA-O 3.3Å; A73-F79 WeakPolarHBondContact CA-O 3.3Å; N74-F79 PolarHBondContact N-O 3.44Å; N74-F79 PolarHBondContact OD1-N 2.89Å; N74-F79 PolarHBondContact OD1-O 2.99Å; F79-V91 HydrophobicContact CD1-CG1 4.44Å; F79-Y92 VanDerWaalsContact CA-O 3.31Å; F79-Y92 WeakPolarHBondContact CA-O 3.24Å; F79-Y92 WeakPolarHBondContact CD1-O 3.48Å; F79-D93 HydrophobicContact CD1-CB 3.97Å; F79-D93 HydrophobicContact CE1-CB 3.63Å; F79-R95 VanDerWaalsContact CZ-NH2 3.34Å; F79-L116 HydrophobicContact CB-CD1 4Å
80F96.8Very high94.7Very high3 Ų323.7 Ų23.71%0.01312%0.123CC..EExtended strand (participates in β ladder)trans-139.2158.7161.474.6-85.3000110.6V24 V26 V35 L43 L71 H72 A73 Y92 V94 L98V24-F80 HydrophobicContact CG2-CB 4.04Å; V24-F80 HydrophobicContact CG2-CD2 4.09Å; V24-F80 HydrophobicContact CG2-CG 4.01Å; V26-F80 HydrophobicContact CG1-CB 4.16Å; V26-F80 HydrophobicContact CG1-CD1 3.95Å; V26-F80 HydrophobicContact CG1-CG 4.35Å; V35-F80 HydrophobicContact CG1-CE2 4.17Å; V35-F80 HydrophobicContact CG1-CZ 4.07Å; V35-F80 HydrophobicContact CG2-CE1 4.24Å; V35-F80 HydrophobicContact CG2-CZ 4.3Å; L43-F80 HydrophobicContact CD1-CE2 4.33Å; L71-F80 HydrophobicContact CD2-CD2 4.2Å; L71-F80 HydrophobicContact CD2-CE2 4.18Å; H72-F80 CarbonylContact O-C 3.59Å; H72-F80 VanDerWaalsContact O-CA 3.23Å; H72-F80 WeakPolarHBondContact O-CA 3.47Å; A73-F80 HydrophobicContact CB-CB 4.1Å; F80-Y92 HydrophobicContact CD1-CG 4.41Å; F80-Y92 AromaticContact CD2-CD2 3.9Å; F80-Y92 HydrophobicContact CD2-CD2 3.9Å; F80-Y92 HydrophobicContact CD2-CG 4.4Å; F80-Y92 HydrophobicContact CE1-CD1 4.35Å; F80-Y92 HydrophobicContact CE1-CD2 4.2Å; F80-Y92 AromaticContact CE1-CG 3.73Å; F80-Y92 HydrophobicContact CE1-CG 3.73Å; F80-Y92 HydrophobicContact CE2-CD1 4.45Å; F80-Y92 AromaticContact CE2-CD2 3.33Å; F80-Y92 HydrophobicContact CE2-CD2 3.33Å; F80-Y92 AromaticContact CE2-CE2 3.84Å; F80-Y92 HydrophobicContact CE2-CE2 3.84Å; F80-Y92 AromaticContact CE2-CG 3.71Å; F80-Y92 HydrophobicContact CE2-CG 3.71Å; F80-Y92 AromaticContact CZ-CD1 3.82Å; F80-Y92 HydrophobicContact CZ-CD1 3.82Å; F80-Y92 AromaticContact CZ-CD2 3.51Å; F80-Y92 HydrophobicContact CZ-CD2 3.51Å; F80-Y92 HydrophobicContact CZ-CE1 4.42Å; F80-Y92 HydrophobicContact CZ-CE2 4.17Å; F80-Y92 AromaticContact CZ-CG 3.32Å; F80-Y92 HydrophobicContact CZ-CG 3.32Å; F80-Y92 PolarHBondContact N-O 2.96Å; F80-Y92 VanDerWaalsContact N-O 3.15Å; F80-Y92 PolarHBondContact O-N 2.87Å; F80-V94 HydrophobicContact CD1-CG1 3.61Å; F80-V94 HydrophobicContact CE1-CG1 3.51Å; F80-L98 HydrophobicContact CE1-CD2 4.08Å
81L97.1Very high94.8Very high0 Ų022.3 Ų22.30%012%0.115CC..EExtended strand (participates in β ladder)trans-112.8154.6167.766.374.8000110.9L71 H72 I89 R90 V91 V114 L116 F123L71-L81 VanDerWaalsContact CA-O 3.28Å; L71-L81 WeakPolarHBondContact CA-O 3Å; H72-L81 HydrophobicContact CB-CD1 4Å; H72-L81 HydrophobicContact CB-CG 4.14Å; H72-L81 PolarHBondContact N-O 2.61Å; H72-L81 PolarHBondContact O-N 2.67Å; L81-I89 HydrophobicContact CB-CG2 4.29Å; L81-I89 HydrophobicContact CD2-CG2 4.33Å; L81-R90 CarbonylContact C-O 3.55Å; L81-R90 WeakPolarHBondContact CA-O 3.42Å; L81-R90 WeakPolarHBondContact CB-O 3.41Å; L81-V91 HydrophobicContact CB-CG2 4.23Å; L81-V114 HydrophobicContact CD1-CB 4.26Å; L81-V114 HydrophobicContact CD1-CG1 3.7Å; L81-V114 HydrophobicContact CD2-CG1 3.55Å; L81-V114 HydrophobicContact CG-CG1 4.33Å; L81-L116 HydrophobicContact CB-CD1 4.4Å; L81-L116 HydrophobicContact CB-CD2 4.3Å; L81-L116 HydrophobicContact CB-CG 4.11Å; L81-L116 HydrophobicContact CD2-CB 4.39Å; L81-L116 HydrophobicContact CD2-CD2 3.84Å; L81-L116 HydrophobicContact CD2-CG 3.59Å; L81-L116 HydrophobicContact CG-CD1 4.43Å; L81-L116 HydrophobicContact CG-CD2 4.38Å; L81-L116 HydrophobicContact CG-CG 3.83Å; L81-F123 HydrophobicContact CD2-CB 4.06Å
82S96.9Very high94.7Very high0 Ų022.1 Ų22.10%011%0.113CC..EExtended strand (participates in β ladder)trans-116.9141.3162.1640000109.9H64 T70 L71 I89 R90 Y92H64-S82 PolarHBondContact NE2-OG 3Å; T70-S82 CarbonylContact O-C 3.59Å; T70-S82 WeakPolarHBondContact O-CA 3.23Å; L71-S82 VanDerWaalsContact CD2-CB 3.43Å; S82-I89 CarbonylContact O-C 3.57Å; S82-I89 VanDerWaalsContact O-CA 3.24Å; S82-I89 WeakPolarHBondContact O-CA 3.37Å; S82-R90 PolarHBondContact N-O 3.32Å; S82-R90 PolarHBondContact O-N 3.15Å; S82-Y92 WeakPolarHBondContact OG-CE2 3.41Å
83F96.1Very high94.5Very high2 Ų221.2 Ų21.21%0.00911%0.11CC..EExtended strand (participates in β ladder)trans-124.1135.1170.4169-108.9000109.2V68 A69 T70 I89 C111 V114V68-F83 CarbonylContact C-O 3.59Å; A69-F83 HydrophobicContact CB-CD1 3.99Å; A69-F83 HydrophobicContact CB-CE1 4.16Å; A69-F83 PolarHBondContact N-O 3.33Å; T70-F83 PolarHBondContact N-O 3.48Å; T70-F83 PolarHBondContact O-N 2.8Å; F83-I89 HydrophobicContact CB-CG1 4.24Å; F83-I89 HydrophobicContact CD2-CD1 4.39Å; F83-I89 HydrophobicContact CD2-CG1 3.61Å; F83-I89 HydrophobicContact CG-CG1 4.35Å; F83-C111 HydrophobicContact CD2-CB 4.46Å; F83-C111 WeakPolarHBondContact CE1-O 3.5Å; F83-C111 HydrophobicContact CE2-CB 3.76Å; F83-C111 VanDerWaalsContact CZ-C 3.48Å; F83-C111 HydrophobicContact CZ-CB 3.96Å; F83-C111 WeakPolarHBondContact CZ-O 3.27Å; F83-V114 HydrophobicContact CB-CB 4.24Å; F83-V114 HydrophobicContact CB-CG2 3.89Å; F83-V114 HydrophobicContact CD1-CG2 4.08Å; F83-V114 HydrophobicContact CD2-CG2 4.02Å; F83-V114 HydrophobicContact CG-CG2 3.69Å
84S95.6Very high94.3Very high0 Ų021 Ų210%011%0.109CC..EExtended strand (participates in β ladder)trans-123.4158.7179.41650000112.4H64 L66 G67 D86 C87 E88H64-S84 VanDerWaalsContact CB-CB 3.42Å; H64-S84 WeakPolarHBondContact CB-OG 3.33Å; H64-S84 WeakPolarHBondContact ND1-CB 3.46Å; L66-S84 VanDerWaalsContact C-OG 3.25Å; L66-S84 PolarHBondContact O-OG 3.17Å; G67-S84 VanDerWaalsContact O-CA 3.27Å; G67-S84 WeakPolarHBondContact O-CA 3.48Å; G67-S84 WeakPolarHBondContact O-CB 3.4Å; G67-S84 PolarHBondContact O-OG 2.92Å; S84-D86 WeakPolarHBondContact CB-OD1 3.15Å; S84-D86 PolarHBondContact O-N 2.6Å; S84-D86 VanDerWaalsContact OG-CG 3.3Å; S84-D86 PolarHBondContact OG-N 2.79Å; S84-D86 VanDerWaalsContact OG-N 3.15Å; S84-D86 PolarHBondContact OG-OD1 3.17Å; S84-C87 PolarHBondContact O-N 3.1Å; S84-E88 PolarHBondContact N-O 2.87Å
85L93.3Very high94.1Very high64 Ų6426.9 Ų26.934%0.33513%0.131SC..THydrogen-bonded Turntrans-58.8-12.9171.5-55.2-179000113.4L66 G67 A69 C87 W112L66-L85 HydrophobicContact CB-CB 3.92Å; L66-L85 HydrophobicContact CD1-CB 4.12Å; G67-L85 PolarHBondContact O-N 3.39Å; G67-L85 VanDerWaalsContact O-N 3.09Å; A69-L85 HydrophobicContact CB-CD2 4.17Å; L85-C87 PolarHBondContact O-N 3.16Å; L85-W112 HydrophobicContact CD2-CE3 4.41Å; L85-W112 HydrophobicContact CD2-CH2 3.27Å; L85-W112 HydrophobicContact CD2-CZ2 4.11Å; L85-W112 HydrophobicContact CD2-CZ3 3.44Å; L85-W112 VanDerWaalsContact CD2-CZ3 3.44Å
86D93.4Very high93.8Very high13 Ų1329.7 Ų29.77%0.0714%0.142CC..THydrogen-bonded Turntrans-74.55.9169706.7000114H64 R65 L66 S84 E88H64-D86 WeakPolarHBondContact CB-OD2 3.29Å; H64-D86 IonicContact CG-OD2 3.17Å; H64-D86 IonicContact ND1-OD1 3.81Å; H64-D86 PolarHBondContact ND1-OD1 3.49Å; H64-D86 IonicContact ND1-OD2 2.64Å; H64-D86 PolarHBondContact ND1-OD2 2.82Å; R65-D86 HydrophobicContact CB-CB 4.2Å; R65-D86 PolarHBondContact N-OD2 2.85Å; L66-D86 HydrophobicContact CB-CB 4.17Å; L66-D86 HydrophobicContact CD1-CB 4.21Å; L66-D86 HydrophobicContact CG-CB 4.16Å; S84-D86 WeakPolarHBondContact CB-OD1 3.15Å; S84-D86 PolarHBondContact O-N 2.6Å; S84-D86 VanDerWaalsContact OG-CG 3.3Å; S84-D86 PolarHBondContact OG-N 2.79Å; S84-D86 VanDerWaalsContact OG-N 3.15Å; S84-D86 PolarHBondContact OG-OD1 3.17Å; D86-E88 PolarHBondContact O-N 2.98Å; D86-E88 WeakPolarHBondContact OD1-CB 3.29Å; D86-E88 PolarHBondContact OD1-N 3.17Å
87C92.5Very high93.5Very high7 Ų726.2 Ų26.25%0.04713%0.129CC..SBendtrans63.820.9-179.3-56.80000113.6S84 L85 R106 T107S84-C87 PolarHBondContact O-N 3.1Å; L85-C87 PolarHBondContact O-N 3.16Å; C87-R106 PolarHBondContact O-N 2.65Å; C87-T107 HydrophobicContact CB-CG2 3.57Å
88E94.7Very high93.1Very high34 Ų3425.4 Ų25.416%0.15913%0.127CC..EExtended strand (participates in β ladder)trans-103.6135177.2-162.6172.1-143.700110.6H64 S84 D86 R90 S103 F104H64-E88 PolarHBondContact CE1-O 3.02Å; H64-E88 VanDerWaalsContact CE1-O 3.29Å; S84-E88 PolarHBondContact N-O 2.87Å; D86-E88 PolarHBondContact O-N 2.98Å; D86-E88 WeakPolarHBondContact OD1-CB 3.29Å; D86-E88 PolarHBondContact OD1-N 3.17Å; E88-R90 HydrophobicContact CG-CG 4.4Å; E88-R90 IonicContact OE2-CZ 3.89Å; E88-R90 IonicContact OE2-NE 2.8Å; E88-R90 PolarHBondContact OE2-NE 3.48Å; E88-R90 IonicContact OE2-NH2 3.02Å; E88-R90 PolarHBondContact OE2-NH2 2.86Å; E88-S103 WeakPolarHBondContact CG-OG 3.5Å; E88-S103 PolarHBondContact OE1-OG 3.38Å; E88-F104 WeakPolarHBondContact CA-O 3.44Å
89I95.6Very high92.9Very high0 Ų030.5 Ų30.50%015%0.149CC..EExtended strand (participates in β ladder)trans-108.8128.5170.3-62.1166000107.7L81 S82 F83 S103 F104 R106 V114 F123 C125L81-I89 HydrophobicContact CB-CG2 4.29Å; L81-I89 HydrophobicContact CD2-CG2 4.33Å; S82-I89 CarbonylContact O-C 3.57Å; S82-I89 VanDerWaalsContact O-CA 3.24Å; S82-I89 WeakPolarHBondContact O-CA 3.37Å; F83-I89 HydrophobicContact CB-CG1 4.24Å; F83-I89 HydrophobicContact CD2-CD1 4.39Å; F83-I89 HydrophobicContact CD2-CG1 3.61Å; F83-I89 HydrophobicContact CG-CG1 4.35Å; I89-S103 CarbonylContact O-C 3.51Å; I89-S103 WeakPolarHBondContact O-CA 3.38Å; I89-F104 HydrophobicContact CB-CD2 4.49Å; I89-F104 HydrophobicContact CG2-CD2 4.48Å; I89-F104 PolarHBondContact N-O 2.83Å; I89-F104 PolarHBondContact O-N 3.01Å; I89-R106 HydrophobicContact CD1-CG 4.07Å; I89-V114 HydrophobicContact CD1-CG1 3.74Å; I89-V114 HydrophobicContact CD1-CG2 3.98Å; I89-V114 HydrophobicContact CG1-CG1 4.21Å; I89-V114 HydrophobicContact CG1-CG2 4.39Å; I89-V114 HydrophobicContact CG2-CG1 4.32Å; I89-F123 HydrophobicContact CD1-CD2 3.94Å; I89-F123 HydrophobicContact CD1-CE2 3.72Å; I89-F123 HydrophobicContact CG2-CD2 4.31Å; I89-F123 HydrophobicContact CG2-CE2 4.4Å; I89-C125 WeakPolarHBondContact CD1-SG 3.21Å
90R96Very high92.8Very high33 Ų3333.3 Ų33.313%0.12516%0.163CC..EExtended strand (participates in β ladder)trans-117.9140.8175.2-70.6168-178.4-167.520.8110A63 L81 S82 E88 Y92 Q100 K102 S103A63-R90 PolarHBondContact O-NH1 3.46Å; A63-R90 PolarHBondContact O-NH2 2.9Å; L81-R90 CarbonylContact C-O 3.55Å; L81-R90 WeakPolarHBondContact CA-O 3.42Å; L81-R90 WeakPolarHBondContact CB-O 3.41Å; S82-R90 PolarHBondContact N-O 3.32Å; S82-R90 PolarHBondContact O-N 3.15Å; E88-R90 HydrophobicContact CG-CG 4.4Å; E88-R90 IonicContact OE2-CZ 3.89Å; E88-R90 IonicContact OE2-NE 2.8Å; E88-R90 PolarHBondContact OE2-NE 3.48Å; E88-R90 IonicContact OE2-NH2 3.02Å; E88-R90 PolarHBondContact OE2-NH2 2.86Å; R90-Y92 HydrophobicContact CB-CD2 4.5Å; R90-Y92 HydrophobicContact CB-CE2 3.63Å; R90-Q100 HydrophobicContact CB-CG 4.27Å; R90-Q100 HydrophobicContact CG-CG 4.46Å; R90-K102 WeakPolarHBondContact CA-O 3.27Å; R90-S103 VanDerWaalsContact CG-OG 3.3Å; R90-S103 WeakPolarHBondContact CG-OG 3.23Å
91V96.5Very high92.6Very high0 Ų036.1 Ų36.10%018%0.18CC..EExtended strand (participates in β ladder)trans-115.1135.2178.5-178.80000108.3F79 L81 V101 K102 F104 V137F79-V91 HydrophobicContact CD1-CG1 4.44Å; L81-V91 HydrophobicContact CB-CG2 4.23Å; V91-V101 HydrophobicContact CB-CG2 4.19Å; V91-V101 HydrophobicContact CG1-CG2 4.02Å; V91-V101 VanDerWaalsContact O-CG2 3.24Å; V91-V101 WeakPolarHBondContact O-CG2 3.44Å; V91-V101 PolarHBondContact O-N 2.89Å; V91-K102 HydrophobicContact CB-CB 4.49Å; V91-K102 PolarHBondContact N-O 3.09Å; V91-K102 PolarHBondContact O-N 2.92Å; V91-F104 HydrophobicContact CG2-CE2 3.86Å; V91-V137 HydrophobicContact CB-CG1 4.28Å; V91-V137 HydrophobicContact CG1-CG1 4.07Å; V91-V137 HydrophobicContact CG2-CG1 4.32Å; V91-V137 HydrophobicContact CG2-CG2 4.24Å
92Y95.5Very high92.5Very high4 Ų440.1 Ų40.12%0.01620%0.197CC..EExtended strand (participates in β ladder)trans-119.7131.5-177.5-61.2-99.9000108.9L43 F79 F80 S82 R90 E99 Q100L43-Y92 HydrophobicContact CD1-CE1 4.22Å; L43-Y92 HydrophobicContact CD1-CE2 3.97Å; L43-Y92 WeakPolarHBondContact CD1-OH 3.37Å; F79-Y92 VanDerWaalsContact CA-O 3.31Å; F79-Y92 WeakPolarHBondContact CA-O 3.24Å; F79-Y92 WeakPolarHBondContact CD1-O 3.48Å; F80-Y92 HydrophobicContact CD1-CG 4.41Å; F80-Y92 AromaticContact CD2-CD2 3.9Å; F80-Y92 HydrophobicContact CD2-CD2 3.9Å; F80-Y92 HydrophobicContact CD2-CG 4.4Å; F80-Y92 HydrophobicContact CE1-CD1 4.35Å; F80-Y92 HydrophobicContact CE1-CD2 4.2Å; F80-Y92 AromaticContact CE1-CG 3.73Å; F80-Y92 HydrophobicContact CE1-CG 3.73Å; F80-Y92 HydrophobicContact CE2-CD1 4.45Å; F80-Y92 AromaticContact CE2-CD2 3.33Å; F80-Y92 HydrophobicContact CE2-CD2 3.33Å; F80-Y92 AromaticContact CE2-CE2 3.84Å; F80-Y92 HydrophobicContact CE2-CE2 3.84Å; F80-Y92 AromaticContact CE2-CG 3.71Å; F80-Y92 HydrophobicContact CE2-CG 3.71Å; F80-Y92 AromaticContact CZ-CD1 3.82Å; F80-Y92 HydrophobicContact CZ-CD1 3.82Å; F80-Y92 AromaticContact CZ-CD2 3.51Å; F80-Y92 HydrophobicContact CZ-CD2 3.51Å; F80-Y92 HydrophobicContact CZ-CE1 4.42Å; F80-Y92 HydrophobicContact CZ-CE2 4.17Å; F80-Y92 AromaticContact CZ-CG 3.32Å; F80-Y92 HydrophobicContact CZ-CG 3.32Å; F80-Y92 PolarHBondContact N-O 2.96Å; F80-Y92 VanDerWaalsContact N-O 3.15Å; F80-Y92 PolarHBondContact O-N 2.87Å; S82-Y92 WeakPolarHBondContact OG-CE2 3.41Å; R90-Y92 HydrophobicContact CB-CD2 4.5Å; R90-Y92 HydrophobicContact CB-CE2 3.63Å; Y92-E99 VanDerWaalsContact CA-O 3.29Å; Y92-E99 WeakPolarHBondContact CA-O 3.15Å; Y92-Q100 HydrophobicContact CD1-CB 3.97Å; Y92-Q100 HydrophobicContact CE1-CB 3.69Å; Y92-Q100 HydrophobicContact CE1-CG 4.19Å
93D92.4Very high92.4Very high27 Ų2742.2 Ų42.214%0.14421%0.212CC..EExtended strand (participates in β ladder)trans-100.3115.6169.9-177-14.9000107.5F79 R95 E99 V101F79-D93 HydrophobicContact CD1-CB 3.97Å; F79-D93 HydrophobicContact CE1-CB 3.63Å; D93-R95 VanDerWaalsContact OD1-CB 3.32Å; D93-R95 WeakPolarHBondContact OD1-CB 3.27Å; D93-R95 VanDerWaalsContact OD1-CG 3.28Å; D93-R95 WeakPolarHBondContact OD1-CG 3.37Å; D93-R95 IonicContact OD1-CZ 3.01Å; D93-R95 PolarHBondContact OD1-N 3.46Å; D93-R95 IonicContact OD1-NE 3.1Å; D93-R95 PolarHBondContact OD1-NE 2.89Å; D93-R95 IonicContact OD1-NH2 3.14Å; D93-R95 IonicContact OD2-CZ 2.64Å; D93-R95 VanDerWaalsContact OD2-CZ 3.31Å; D93-R95 IonicContact OD2-NE 3.88Å; D93-R95 PolarHBondContact OD2-NE 2.98Å; D93-R95 IonicContact OD2-NH2 3.87Å; D93-R95 PolarHBondContact OD2-NH2 2.82Å; D93-E99 PolarHBondContact N-O 3.16Å; D93-E99 VanDerWaalsContact N-O 3.09Å; D93-V101 HydrophobicContact CB-CG1 3.56Å; D93-V101 HydrophobicContact CB-CG2 4.47Å
94V92.3Very high92.4Very high0 Ų042.5 Ų42.50%021%0.213CC..  trans-98.89.2-174.2-53.60000113.8V26 C28 T78 F80 D96 G97 L98V26-V94 HydrophobicContact CB-CG2 3.86Å; V26-V94 HydrophobicContact CG2-CB 4.42Å; V26-V94 HydrophobicContact CG2-CG1 4.2Å; V26-V94 HydrophobicContact CG2-CG2 4.07Å; C28-V94 WeakPolarHBondContact CA-O 3.37Å; C28-V94 HydrophobicContact CB-CB 4.48Å; C28-V94 WeakPolarHBondContact CB-O 3.49Å; C28-V94 PolarHBondContact SG-O 2.98Å; T78-V94 WeakPolarHBondContact O-CG2 3.35Å; T78-V94 PolarHBondContact O-N 2.83Å; F80-V94 HydrophobicContact CD1-CG1 3.61Å; F80-V94 HydrophobicContact CE1-CG1 3.51Å; V94-D96 VanDerWaalsContact C-N 3.32Å; V94-D96 PolarHBondContact O-N 2.83Å; V94-G97 VanDerWaalsContact CA-O 3.24Å; V94-G97 WeakPolarHBondContact CA-O 3.4Å; V94-L98 HydrophobicContact CG1-CD2 3.78Å
95R89.3Confident92.3Very high122 Ų12246.3 Ų46.346%0.4623%0.233SC..SBendtrans-67.1-36.4-175.9-68.2176.1-69.2-177.45.7112.3H29 T78 F79 D93H29-R95 PolarHBondContact CE1-O 2.93Å; H29-R95 PolarHBondContact ND1-O 2.88Å; T78-R95 HydrophobicContact CG2-CG 4.15Å; F79-R95 VanDerWaalsContact CZ-NH2 3.34Å; D93-R95 VanDerWaalsContact OD1-CB 3.32Å; D93-R95 WeakPolarHBondContact OD1-CB 3.27Å; D93-R95 VanDerWaalsContact OD1-CG 3.28Å; D93-R95 WeakPolarHBondContact OD1-CG 3.37Å; D93-R95 IonicContact OD1-CZ 3.01Å; D93-R95 PolarHBondContact OD1-N 3.46Å; D93-R95 IonicContact OD1-NE 3.1Å; D93-R95 PolarHBondContact OD1-NE 2.89Å; D93-R95 IonicContact OD1-NH2 3.14Å; D93-R95 IonicContact OD2-CZ 2.64Å; D93-R95 VanDerWaalsContact OD2-CZ 3.31Å; D93-R95 IonicContact OD2-NE 3.88Å; D93-R95 PolarHBondContact OD2-NE 2.98Å; D93-R95 IonicContact OD2-NH2 3.87Å; D93-R95 PolarHBondContact OD2-NH2 2.82Å
96D85Confident92.1Very high124 Ų12445 Ų4566%0.66322%0.224SC*.SBendtrans-121.511.9-174.8-63.5-47.5000114.3H29 V94H29-D96 IonicContact CE1-OD1 3.4Å; H29-D96 PolarHBondContact CE1-OD1 2.64Å; H29-D96 VanDerWaalsContact CE1-OD1 3.3Å; H29-D96 WeakPolarHBondContact NE2-CA 3.39Å; H29-D96 IonicContact NE2-OD1 2.69Å; V94-D96 VanDerWaalsContact C-N 3.32Å; V94-D96 PolarHBondContact O-N 2.83Å
97G85.1Confident91.6Very high20 Ų2048.2 Ų48.221%0.20624%0.244CC..SBendtrans140.7171.8-17600000111V94 E99V94-G97 VanDerWaalsContact CA-O 3.24Å; V94-G97 WeakPolarHBondContact CA-O 3.4Å; G97-E99 PolarHBondContact O-N 3.05Å
98L84.3Confident90.6Very high25 Ų2553.5 Ų53.513%0.13128%0.278CS..SBendtrans-82.155.8179.8-69.7160.2000111.9V35 A45 E59 F80 V94V35-L98 HydrophobicContact CG2-CD2 4.14Å; A45-L98 HydrophobicContact CB-CD1 3.15Å; A45-L98 HydrophobicContact CB-CD2 4.46Å; A45-L98 HydrophobicContact CB-CG 4.43Å; E59-L98 HydrophobicContact CB-CD1 4.33Å; F80-L98 HydrophobicContact CE1-CD2 4.08Å; V94-L98 HydrophobicContact CG1-CD2 3.78Å
99E87.7Confident89.3Confident135 Ų13554.9 Ų54.963%0.63129%0.286SS*.EExtended strand (participates in β ladder)trans-87.8125.7-172.9-63.9-164.8168.600112.2Y92 D93 G97 V101Y92-E99 VanDerWaalsContact CA-O 3.29Å; Y92-E99 WeakPolarHBondContact CA-O 3.15Å; D93-E99 PolarHBondContact N-O 3.16Å; D93-E99 VanDerWaalsContact N-O 3.09Å; G97-E99 PolarHBondContact O-N 3.05Å; E99-V101 PolarHBondContact O-N 2.98Å
100Q93.4Very high88.5Confident87 Ų8761.7 Ų61.741%0.40731%0.313SS..EExtended strand (participates in β ladder)trans-68.9114.7167.2-173.4-163.9-74.100109.2R90 Y92R90-Q100 HydrophobicContact CB-CG 4.27Å; R90-Q100 HydrophobicContact CG-CG 4.46Å; Y92-Q100 HydrophobicContact CD1-CB 3.97Å; Y92-Q100 HydrophobicContact CE1-CB 3.69Å; Y92-Q100 HydrophobicContact CE1-CG 4.19Å
101V92.8Very high87.7Confident61 Ų6160.4 Ų60.437%0.3731%0.309SS..EExtended strand (participates in β ladder)trans-91.1-32.5-180-67.90000112.8V91 D93 E99V91-V101 HydrophobicContact CB-CG2 4.19Å; V91-V101 HydrophobicContact CG1-CG2 4.02Å; V91-V101 VanDerWaalsContact O-CG2 3.24Å; V91-V101 WeakPolarHBondContact O-CG2 3.44Å; V91-V101 PolarHBondContact O-N 2.89Å; D93-V101 HydrophobicContact CB-CG1 3.56Å; D93-V101 HydrophobicContact CB-CG2 4.47Å; E99-V101 PolarHBondContact O-N 2.98Å
102K95Very high87.2Confident84 Ų8464.7 Ų64.737%0.36533%0.325SS..EExtended strand (participates in β ladder)trans-149.5155.7-174.3-63.7-72.6173160.20111.9R90 V91 F104 V137 E138R90-K102 WeakPolarHBondContact CA-O 3.27Å; V91-K102 HydrophobicContact CB-CB 4.49Å; V91-K102 PolarHBondContact N-O 3.09Å; V91-K102 PolarHBondContact O-N 2.92Å; K102-F104 HydrophobicContact CB-CE1 4.29Å; K102-F104 HydrophobicContact CB-CE2 3.64Å; K102-F104 HydrophobicContact CB-CZ 3.44Å; K102-F104 VanDerWaalsContact CB-CZ 3.44Å; K102-F104 HydrophobicContact CD-CZ 4.47Å; K102-F104 HydrophobicContact CG-CZ 4.01Å; K102-V137 HydrophobicContact CB-CG1 4.4Å; K102-V137 HydrophobicContact CG-CG1 3.97Å; K102-V137 WeakPolarHBondContact CG-O 3.49Å; K102-E138 PolarHBondContact NZ-O 2.87Å
103S95Very high86.8Confident44 Ų4464.6 Ų64.631%0.30833%0.325SS..EExtended strand (participates in β ladder)trans-141.8140.5173.4-163.70000110.8E88 I89 R90E88-S103 WeakPolarHBondContact CG-OG 3.5Å; E88-S103 PolarHBondContact OE1-OG 3.38Å; I89-S103 CarbonylContact O-C 3.51Å; I89-S103 WeakPolarHBondContact O-CA 3.38Å; R90-S103 VanDerWaalsContact CG-OG 3.3Å; R90-S103 WeakPolarHBondContact CG-OG 3.23Å
104F94.7Very high86.9Confident8 Ų863.7 Ų63.74%0.03532%0.32CS..EExtended strand (participates in β ladder)trans-136.9114.9-172.9-48.1-78.8000110.8E88 I89 V91 K102 F123 V137 D140E88-F104 WeakPolarHBondContact CA-O 3.44Å; I89-F104 HydrophobicContact CB-CD2 4.49Å; I89-F104 HydrophobicContact CG2-CD2 4.48Å; I89-F104 PolarHBondContact N-O 2.83Å; I89-F104 PolarHBondContact O-N 3.01Å; V91-F104 HydrophobicContact CG2-CE2 3.86Å; K102-F104 HydrophobicContact CB-CE1 4.29Å; K102-F104 HydrophobicContact CB-CE2 3.64Å; K102-F104 HydrophobicContact CB-CZ 3.44Å; K102-F104 VanDerWaalsContact CB-CZ 3.44Å; K102-F104 HydrophobicContact CD-CZ 4.47Å; K102-F104 HydrophobicContact CG-CZ 4.01Å; F104-F123 HydrophobicContact CB-CZ 4.03Å; F104-F123 HydrophobicContact CD1-CE1 4.33Å; F104-F123 HydrophobicContact CD1-CZ 4.14Å; F104-F123 AromaticContact CD2-CE1 3.64Å; F104-F123 HydrophobicContact CD2-CE1 3.64Å; F104-F123 HydrophobicContact CD2-CE2 4.37Å; F104-F123 AromaticContact CD2-CZ 3.53Å; F104-F123 HydrophobicContact CD2-CZ 3.53Å; F104-F123 HydrophobicContact CE1-CE1 4.23Å; F104-F123 HydrophobicContact CE2-CD1 4.28Å; F104-F123 AromaticContact CE2-CE1 3.53Å; F104-F123 HydrophobicContact CE2-CE1 3.53Å; F104-F123 AromaticContact CE2-CZ 3.95Å; F104-F123 HydrophobicContact CE2-CZ 3.95Å; F104-F123 HydrophobicContact CG-CE1 4.03Å; F104-F123 AromaticContact CG-CZ 3.63Å; F104-F123 HydrophobicContact CG-CZ 3.63Å; F104-F123 AromaticContact CZ-CE1 3.84Å; F104-F123 HydrophobicContact CZ-CE1 3.84Å; F104-F123 HydrophobicContact CZ-CZ 4.41Å; F104-V137 HydrophobicContact CZ-CG1 4.34Å; F104-V137 WeakPolarHBondContact CZ-O 3.43Å; F104-D140 HydrophobicContact CD1-CB 3.77Å; F104-D140 VanDerWaalsContact CD1-CG 3.46Å; F104-D140 VanDerWaalsContact CD1-OD1 3.31Å; F104-D140 WeakPolarHBondContact CD1-OD1 3.46Å; F104-D140 HydrophobicContact CE1-CB 3.76Å
105L93Very high87.1Confident80 Ų8063.7 Ų63.742%0.41932%0.32SS..EExtended strand (participates in β ladder)trans-84.9127173.2-171.569.2000109.9T107L105-T107 HydrophobicContact CD1-CG2 3.94Å; L105-T107 HydrophobicContact CD2-CG2 4.46Å; L105-T107 HydrophobicContact CG-CG2 4.09Å
106R90.9Very high87.4Confident37 Ų3758 Ų5814%0.1430%0.299CS..  trans-112.816.8-176.6-61.5-63.781.5153.810.3115C87 I89 L109 C111 Y135 D140C87-R106 PolarHBondContact O-N 2.65Å; I89-R106 HydrophobicContact CD1-CG 4.07Å; R106-L109 PolarHBondContact O-N 3.07Å; R106-C111 WeakPolarHBondContact CB-SG 3.47Å; R106-Y135 VanDerWaalsContact NH1-CE1 3.28Å; R106-D140 IonicContact CZ-OD1 2.9Å; R106-D140 IonicContact CZ-OD2 3.14Å; R106-D140 IonicContact NH1-OD1 3.86Å; R106-D140 PolarHBondContact NH1-OD1 2.95Å; R106-D140 IonicContact NH1-OD2 3.45Å; R106-D140 IonicContact NH2-OD1 3.26Å; R106-D140 PolarHBondContact NH2-OD1 3.01Å; R106-D140 IonicContact NH2-OD2 3.43Å; R106-D140 PolarHBondContact NH2-OD2 3.1Å
107T82.2Confident88Confident80 Ų8054 Ų5449%0.49128%0.275SS..THydrogen-bonded Turntrans-62.2149.4173.459.50000112.5C87 L105C87-T107 HydrophobicContact CB-CG2 3.57Å; L105-T107 HydrophobicContact CD1-CG2 3.94Å; L105-T107 HydrophobicContact CD2-CG2 4.46Å; L105-T107 HydrophobicContact CG-CG2 4.09Å
108P70.7Confident88.5Confident118 Ų11854 Ų5477%0.76627%0.272SS*.THydrogen-bonded Turncis-92.64.34.137.4-36.6000114.3Y110P108-Y110 PolarHBondContact O-N 2.84Å
109L68.9Low88.9Confident63 Ų6356.2 Ų56.233%0.3328%0.284SS..SBendtrans-81.3118.6178.3-66.9171.7000108.5R106 C111 N129R106-L109 PolarHBondContact O-N 3.07Å; L109-C111 PolarHBondContact O-N 3.15Å; L109-C111 VanDerWaalsContact O-N 3.11Å; L109-N129 WeakPolarHBondContact CD1-ND2 3.24Å; L109-N129 HydrophobicContact CD2-CB 4.24Å
110Y77Confident89.2Confident143 Ų14350 Ų5056%0.56126%0.255SS*.  trans-68.3114.7175.5-62.2-77.7000108.3P108 S127 T128P108-Y110 PolarHBondContact O-N 2.84Å; Y110-S127 WeakPolarHBondContact O-CA 3.35Å; Y110-T128 HydrophobicContact CD2-CG2 4.35Å; Y110-T128 PolarHBondContact O-N 3.2Å
111C81.1Confident89.2Confident6 Ų649 Ų494%0.04126%0.255CS..EExtended strand (participates in β ladder)trans-79.7154170.2-61.90000109.6F83 R106 L109 V114 G126F83-C111 HydrophobicContact CD2-CB 4.46Å; F83-C111 WeakPolarHBondContact CE1-O 3.5Å; F83-C111 HydrophobicContact CE2-CB 3.76Å; F83-C111 VanDerWaalsContact CZ-C 3.48Å; F83-C111 HydrophobicContact CZ-CB 3.96Å; F83-C111 WeakPolarHBondContact CZ-O 3.27Å; R106-C111 WeakPolarHBondContact CB-SG 3.47Å; L109-C111 PolarHBondContact O-N 3.15Å; L109-C111 VanDerWaalsContact O-N 3.11Å; C111-V114 HydrophobicContact CB-CG2 4.34Å; C111-G126 CarbonylContact C-O 3.6Å; C111-G126 WeakPolarHBondContact CA-O 3.38Å
112W84.5Confident89.4Confident91 Ų9148.4 Ų48.435%0.34525%0.248SC..EExtended strand (participates in β ladder)trans-147.1-55.6170.3-148.3-79.9000111.4L85 V114 G126 F152 L154L85-W112 HydrophobicContact CD2-CE3 4.41Å; L85-W112 HydrophobicContact CD2-CH2 3.27Å; L85-W112 HydrophobicContact CD2-CZ2 4.11Å; L85-W112 HydrophobicContact CD2-CZ3 3.44Å; L85-W112 VanDerWaalsContact CD2-CZ3 3.44Å; W112-V114 PolarHBondContact O-N 2.73Å; W112-G126 PolarHBondContact N-O 2.89Å; W112-G126 VanDerWaalsContact N-O 3.08Å; W112-F152 HydrophobicContact CB-CE1 3.81Å; W112-F152 HydrophobicContact CB-CZ 3.88Å; W112-F152 HydrophobicContact CE3-CZ 4.2Å; W112-F152 HydrophobicContact CG-CZ 4.42Å; W112-L154 HydrophobicContact CB-CD2 4.48Å; W112-L154 HydrophobicContact CG-CD2 4.35Å
113G87.2Confident89.5Confident2 Ų244.4 Ų44.42%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-72.592.8173.700000110.6C125 G126 L154 S156G113-C125 CarbonylContact O-C 3.57Å; G113-G126 PolarHBondContact O-N 2.62Å; G113-L154 WeakPolarHBondContact CA-O 3.44Å; G113-L154 PolarHBondContact N-O 2.91Å; G113-S156 PolarHBondContact O-OG 2.8Å; G113-S156 VanDerWaalsContact O-OG 3.13Å
114V95.1Very high89.6Confident7 Ų742.3 Ų42.34%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-114.5131.7179.1-1710000109.5L81 F83 I89 C111 W112 A124L81-V114 HydrophobicContact CD1-CB 4.26Å; L81-V114 HydrophobicContact CD1-CG1 3.7Å; L81-V114 HydrophobicContact CD2-CG1 3.55Å; L81-V114 HydrophobicContact CG-CG1 4.33Å; F83-V114 HydrophobicContact CB-CB 4.24Å; F83-V114 HydrophobicContact CB-CG2 3.89Å; F83-V114 HydrophobicContact CD1-CG2 4.08Å; F83-V114 HydrophobicContact CD2-CG2 4.02Å; F83-V114 HydrophobicContact CG-CG2 3.69Å; I89-V114 HydrophobicContact CD1-CG1 3.74Å; I89-V114 HydrophobicContact CD1-CG2 3.98Å; I89-V114 HydrophobicContact CG1-CG1 4.21Å; I89-V114 HydrophobicContact CG1-CG2 4.39Å; I89-V114 HydrophobicContact CG2-CG1 4.32Å; C111-V114 HydrophobicContact CB-CG2 4.34Å; W112-V114 PolarHBondContact O-N 2.73Å; V114-A124 VanDerWaalsContact CA-O 3.32Å; V114-A124 WeakPolarHBondContact CA-O 3.4Å; V114-A124 WeakPolarHBondContact CG1-O 3.32Å
115S96.3Very high89.6Confident0 Ų042 Ų420%021%0.214CC..EExtended strand (participates in β ladder)trans-142.1139.5178560000111.9F123 A124 S156 F158S115-F123 CarbonylContact O-C 3.56Å; S115-F123 VanDerWaalsContact O-CA 3.31Å; S115-F123 WeakPolarHBondContact O-CA 3.18Å; S115-A124 PolarHBondContact N-O 3.34Å; S115-A124 VanDerWaalsContact N-O 3.17Å; S115-A124 PolarHBondContact O-N 3.43Å; S115-S156 WeakPolarHBondContact CB-O 3.38Å; S115-S156 WeakPolarHBondContact CB-OG 3.4Å; S115-S156 PolarHBondContact N-OG 3.33Å; S115-S156 PolarHBondContact OG-OG 3.02Å; S115-F158 WeakPolarHBondContact OG-CE2 3.44Å
116L96Very high89.6Confident3 Ų338.1 Ų38.12%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-74.1138.6169.3-82.3175.6000109.9H72 N74 F79 L81 F123 F158H72-L116 PolarHBondContact ND1-N 2.91Å; H72-L116 VanDerWaalsContact ND1-N 3.14Å; H72-L116 WeakPolarHBondContact O-CD1 3.33Å; N74-L116 HydrophobicContact CB-CB 4.38Å; N74-L116 HydrophobicContact CB-CD1 4.21Å; F79-L116 HydrophobicContact CB-CD1 4Å; L81-L116 HydrophobicContact CB-CD1 4.4Å; L81-L116 HydrophobicContact CB-CD2 4.3Å; L81-L116 HydrophobicContact CB-CG 4.11Å; L81-L116 HydrophobicContact CD2-CB 4.39Å; L81-L116 HydrophobicContact CD2-CD2 3.84Å; L81-L116 HydrophobicContact CD2-CG 3.59Å; L81-L116 HydrophobicContact CG-CD1 4.43Å; L81-L116 HydrophobicContact CG-CD2 4.38Å; L81-L116 HydrophobicContact CG-CG 3.83Å; L116-F123 HydrophobicContact CD2-CB 4.33Å; L116-F158 WeakPolarHBondContact O-CD2 3.21Å
117Y97Very high89.6Confident39 Ų3936.4 Ų36.415%0.15319%0.188CC..  trans-68.4150165.7-167-95000109.8D119 G120 K122 F158 G162Y117-D119 VanDerWaalsContact C-N 3.28Å; Y117-D119 HydrophobicContact CD1-CB 4.42Å; Y117-D119 VanDerWaalsContact CD1-CG 3.49Å; Y117-D119 VanDerWaalsContact CD1-OD1 3.28Å; Y117-D119 WeakPolarHBondContact CD1-OD1 3.11Å; Y117-D119 WeakPolarHBondContact CE1-OD2 3.26Å; Y117-D119 PolarHBondContact O-N 3.24Å; Y117-D119 VanDerWaalsContact O-N 3.11Å; Y117-G120 PolarHBondContact O-N 3.49Å; Y117-K122 VanDerWaalsContact CB-O 3.28Å; Y117-K122 WeakPolarHBondContact CB-O 3.2Å; Y117-K122 HydrophobicContact CD1-CD 4.39Å; Y117-K122 HydrophobicContact CG-CB 4.15Å; Y117-K122 HydrophobicContact CG-CD 4.31Å; Y117-K122 PolarHBondContact N-O 3.36Å; Y117-F158 AromaticContact CD2-CD1 3.81Å; Y117-F158 HydrophobicContact CD2-CD1 3.81Å; Y117-F158 HydrophobicContact CD2-CD2 4.42Å; Y117-F158 AromaticContact CD2-CE1 3.61Å; Y117-F158 HydrophobicContact CD2-CE1 3.61Å; Y117-F158 HydrophobicContact CD2-CE2 4.25Å; Y117-F158 HydrophobicContact CD2-CG 4.21Å; Y117-F158 AromaticContact CD2-CZ 3.84Å; Y117-F158 HydrophobicContact CD2-CZ 3.84Å; Y117-F158 HydrophobicContact CE2-CD1 4.14Å; Y117-F158 HydrophobicContact CE2-CE1 4.08Å; Y117-G162 VanDerWaalsContact CE2-O 3.31Å; Y117-G162 WeakPolarHBondContact CE2-O 3.17Å; Y117-G162 PolarHBondContact OH-O 2.81Å
118P95.6Very high90Very high21 Ų2135.3 Ų35.314%0.13618%0.181CC..THydrogen-bonded Turntrans-53.6-37.6-170.8-33.438000116.2N74 P75 G120 F158 T159 T160N74-P118 PolarHBondContact ND2-O 3.12Å; P75-P118 HydrophobicContact CG-CB 4.07Å; P118-G120 VanDerWaalsContact C-N 3.25Å; P118-G120 PolarHBondContact O-N 3.08Å; P118-F158 HydrophobicContact CG-CB 4.4Å; P118-T159 WeakPolarHBondContact CG-O 3.44Å; P118-T160 VanDerWaalsContact CB-O 3.31Å; P118-T160 WeakPolarHBondContact CB-O 3.49Å; P118-T160 WeakPolarHBondContact CG-O 3.28Å
119D93.4Very high90.9Very high72 Ų7232.5 Ų32.539%0.38516%0.16SC..THydrogen-bonded Turntrans-79.1-1.4179.66720.1000114.3Y117 T121 K122Y117-D119 VanDerWaalsContact C-N 3.28Å; Y117-D119 HydrophobicContact CD1-CB 4.42Å; Y117-D119 VanDerWaalsContact CD1-CG 3.49Å; Y117-D119 VanDerWaalsContact CD1-OD1 3.28Å; Y117-D119 WeakPolarHBondContact CD1-OD1 3.11Å; Y117-D119 WeakPolarHBondContact CE1-OD2 3.26Å; Y117-D119 PolarHBondContact O-N 3.24Å; Y117-D119 VanDerWaalsContact O-N 3.11Å; D119-T121 HydrophobicContact CB-CG2 4.39Å; D119-T121 PolarHBondContact O-N 2.85Å; D119-T121 WeakPolarHBondContact OD1-CA 3.36Å; D119-T121 VanDerWaalsContact OD1-CB 3.26Å; D119-T121 WeakPolarHBondContact OD1-CB 3.48Å; D119-T121 WeakPolarHBondContact OD1-CG2 3.39Å; D119-T121 PolarHBondContact OD1-N 3.35Å; D119-T121 PolarHBondContact OD1-OG1 2.87Å; D119-T121 PolarHBondContact OD2-OG1 3.19Å; D119-T121 VanDerWaalsContact OD2-OG1 3.14Å; D119-K122 IonicContact OD1-NZ 2.69Å; D119-K122 IonicContact OD2-NZ 3.07Å; D119-K122 PolarHBondContact OD2-NZ 2.86Å
120G93Very high91.9Very high3 Ų329.5 Ų29.53%0.03114%0.144CC..SBendtrans72.5-1.3-17800000115.2Y117 P118Y117-G120 PolarHBondContact O-N 3.49Å; P118-G120 VanDerWaalsContact C-N 3.25Å; P118-G120 PolarHBondContact O-N 3.08Å
121T94.5Very high92.7Very high66 Ų6625.3 Ų25.341%0.40513%0.129SC..SBendtrans-88.2-12.3-174.669.30000114D119 V137D119-T121 HydrophobicContact CB-CG2 4.39Å; D119-T121 PolarHBondContact O-N 2.85Å; D119-T121 WeakPolarHBondContact OD1-CA 3.36Å; D119-T121 VanDerWaalsContact OD1-CB 3.26Å; D119-T121 WeakPolarHBondContact OD1-CB 3.48Å; D119-T121 WeakPolarHBondContact OD1-CG2 3.39Å; D119-T121 PolarHBondContact OD1-N 3.35Å; D119-T121 PolarHBondContact OD1-OG1 2.87Å; D119-T121 PolarHBondContact OD2-OG1 3.19Å; D119-T121 VanDerWaalsContact OD2-OG1 3.14Å; T121-V137 WeakPolarHBondContact O-CB 3.23Å; T121-V137 PolarHBondContact O-N 3.23Å
122K96.4Very high93.4Very high49 Ų4925 Ų2521%0.21313%0.127CC..EExtended strand (participates in β ladder)trans-137.6159.3-177.8-51.3168.2-157.968.10110Y117 D119 L134 Y135 L143Y117-K122 VanDerWaalsContact CB-O 3.28Å; Y117-K122 WeakPolarHBondContact CB-O 3.2Å; Y117-K122 HydrophobicContact CD1-CD 4.39Å; Y117-K122 HydrophobicContact CG-CB 4.15Å; Y117-K122 HydrophobicContact CG-CD 4.31Å; Y117-K122 PolarHBondContact N-O 3.36Å; D119-K122 IonicContact OD1-NZ 2.69Å; D119-K122 IonicContact OD2-NZ 3.07Å; D119-K122 PolarHBondContact OD2-NZ 2.86Å; K122-L134 HydrophobicContact CB-CD1 4.03Å; K122-L134 HydrophobicContact CB-CG 4.47Å; K122-L134 HydrophobicContact CD-CD2 4.17Å; K122-Y135 CarbonylContact C-O 3.57Å; K122-Y135 WeakPolarHBondContact CA-O 3.42Å; K122-Y135 VanDerWaalsContact CB-O 3.3Å; K122-Y135 WeakPolarHBondContact CB-O 3.46Å; K122-L143 HydrophobicContact CD-CD1 3.76Å; K122-L143 HydrophobicContact CG-CD1 3.79Å
123F96.7Very high93.9Very high0 Ų021.4 Ų21.40%011%0.114CC..EExtended strand (participates in β ladder)trans-141.1145.9171.564.4-80.7000110.5L81 I89 F104 S115 L116 C125 Y135 V137L81-F123 HydrophobicContact CD2-CB 4.06Å; I89-F123 HydrophobicContact CD1-CD2 3.94Å; I89-F123 HydrophobicContact CD1-CE2 3.72Å; I89-F123 HydrophobicContact CG2-CD2 4.31Å; I89-F123 HydrophobicContact CG2-CE2 4.4Å; F104-F123 HydrophobicContact CB-CZ 4.03Å; F104-F123 HydrophobicContact CD1-CE1 4.33Å; F104-F123 HydrophobicContact CD1-CZ 4.14Å; F104-F123 AromaticContact CD2-CE1 3.64Å; F104-F123 HydrophobicContact CD2-CE1 3.64Å; F104-F123 HydrophobicContact CD2-CE2 4.37Å; F104-F123 AromaticContact CD2-CZ 3.53Å; F104-F123 HydrophobicContact CD2-CZ 3.53Å; F104-F123 HydrophobicContact CE1-CE1 4.23Å; F104-F123 HydrophobicContact CE2-CD1 4.28Å; F104-F123 AromaticContact CE2-CE1 3.53Å; F104-F123 HydrophobicContact CE2-CE1 3.53Å; F104-F123 AromaticContact CE2-CZ 3.95Å; F104-F123 HydrophobicContact CE2-CZ 3.95Å; F104-F123 HydrophobicContact CG-CE1 4.03Å; F104-F123 AromaticContact CG-CZ 3.63Å; F104-F123 HydrophobicContact CG-CZ 3.63Å; F104-F123 AromaticContact CZ-CE1 3.84Å; F104-F123 HydrophobicContact CZ-CE1 3.84Å; F104-F123 HydrophobicContact CZ-CZ 4.41Å; S115-F123 CarbonylContact O-C 3.56Å; S115-F123 VanDerWaalsContact O-CA 3.31Å; S115-F123 WeakPolarHBondContact O-CA 3.18Å; L116-F123 HydrophobicContact CD2-CB 4.33Å; F123-C125 WeakPolarHBondContact CD2-SG 3.48Å; F123-C125 WeakPolarHBondContact CE2-SG 3.46Å; F123-Y135 HydrophobicContact CD2-CD2 4.4Å; F123-Y135 AromaticContact CE2-CD2 3.79Å; F123-Y135 HydrophobicContact CE2-CD2 3.79Å; F123-Y135 HydrophobicContact CE2-CG 4.22Å; F123-Y135 HydrophobicContact CZ-CD2 4.04Å; F123-Y135 AromaticContact CZ-CG 4Å; F123-Y135 HydrophobicContact CZ-CG 4Å; F123-Y135 PolarHBondContact N-O 2.9Å; F123-Y135 PolarHBondContact O-N 2.96Å; F123-V137 HydrophobicContact CD1-CG2 3.69Å; F123-V137 HydrophobicContact CE1-CG2 4.33Å
124A96.7Very high94.4Very high0 Ų021.8 Ų21.80%012%0.116CC..EExtended strand (participates in β ladder)trans-99.8144.9173.900000110.6V114 S115 V132 D133 L134 F158 L165V114-A124 VanDerWaalsContact CA-O 3.32Å; V114-A124 WeakPolarHBondContact CA-O 3.4Å; V114-A124 WeakPolarHBondContact CG1-O 3.32Å; S115-A124 PolarHBondContact N-O 3.34Å; S115-A124 VanDerWaalsContact N-O 3.17Å; S115-A124 PolarHBondContact O-N 3.43Å; A124-V132 HydrophobicContact CB-CG1 3.78Å; A124-D133 CarbonylContact C-O 3.5Å; A124-D133 VanDerWaalsContact CA-O 3.3Å; A124-D133 WeakPolarHBondContact CA-O 3.44Å; A124-L134 HydrophobicContact CB-CD1 4.49Å; A124-F158 HydrophobicContact CB-CE2 3.66Å; A124-F158 HydrophobicContact CB-CZ 3.65Å; A124-L165 HydrophobicContact CB-CD1 4.29Å; A124-L165 HydrophobicContact CB-CD2 4.43Å
125C94.9Very high94.4Very high1 Ų123.1 Ų23.11%0.00712%0.12CC..EExtended strand (participates in β ladder)trans-131.6107.2176.8-60.50000110.5I89 G113 F123 V132 D133 Y135I89-C125 WeakPolarHBondContact CD1-SG 3.21Å; G113-C125 CarbonylContact O-C 3.57Å; F123-C125 WeakPolarHBondContact CD2-SG 3.48Å; F123-C125 WeakPolarHBondContact CE2-SG 3.46Å; C125-V132 WeakPolarHBondContact O-CA 3.14Å; C125-D133 PolarHBondContact N-O 2.85Å; C125-D133 PolarHBondContact O-N 2.8Å; C125-Y135 HydrophobicContact CB-CE2 4.23Å
126G94Very high94.5Very high0 Ų023.7 Ų23.70%012%0.124CC..EExtended strand (participates in β ladder)trans-73.5136166.600000110.8C111 W112 G113 K131C111-G126 CarbonylContact C-O 3.6Å; C111-G126 WeakPolarHBondContact CA-O 3.38Å; W112-G126 PolarHBondContact N-O 2.89Å; W112-G126 VanDerWaalsContact N-O 3.08Å; G113-G126 PolarHBondContact O-N 2.62Å; G126-K131 WeakPolarHBondContact CA-O 3.4Å
127S91.1Very high94.5Very high1 Ų124.2 Ų24.21%0.00713%0.128CC..EExtended strand (participates in β ladder)trans-126.3167.1-175.374.10000113.6Y110 N129 G130 K131 V153Y110-S127 WeakPolarHBondContact O-CA 3.35Å; S127-N129 PolarHBondContact O-N 2.89Å; S127-N129 PolarHBondContact OG-OD1 2.85Å; S127-G130 PolarHBondContact O-N 2.65Å; S127-G130 VanDerWaalsContact O-N 3.17Å; S127-K131 PolarHBondContact N-O 3.25Å; S127-K131 PolarHBondContact OG-O 3.41Å; S127-V153 PolarHBondContact O-N 3.3Å
128T90.7Very high94.4Very high56 Ų5629.6 Ų29.634%0.34415%0.154SC..THydrogen-bonded Turntrans-63.5-16177.850.60000115Y110 G130 F152Y110-T128 HydrophobicContact CD2-CG2 4.35Å; Y110-T128 PolarHBondContact O-N 3.2Å; T128-G130 VanDerWaalsContact C-N 3.27Å; T128-F152 VanDerWaalsContact CA-CD1 3.48Å; T128-F152 HydrophobicContact CG2-CD1 3.71Å; T128-F152 HydrophobicContact CG2-CD2 3.8Å; T128-F152 HydrophobicContact CG2-CE1 3.56Å; T128-F152 HydrophobicContact CG2-CE2 3.63Å; T128-F152 HydrophobicContact CG2-CG 3.84Å; T128-F152 HydrophobicContact CG2-CZ 3.51Å
129N88.9Confident94.3Very high60 Ų6033.5 Ų33.532%0.32117%0.174SC..THydrogen-bonded Turntrans-85.2-2.5177.97219.5000112.9L109 S127 K131 G150L109-N129 WeakPolarHBondContact CD1-ND2 3.24Å; L109-N129 HydrophobicContact CD2-CB 4.24Å; S127-N129 PolarHBondContact O-N 2.89Å; S127-N129 PolarHBondContact OG-OD1 2.85Å; N129-K131 WeakPolarHBondContact OD1-CB 3.46Å; N129-K131 VanDerWaalsContact OD1-CG 3.27Å; N129-K131 WeakPolarHBondContact OD1-CG 3.43Å; N129-K131 PolarHBondContact OD1-N 3.29Å; N129-G150 WeakPolarHBondContact O-CA 3.4Å
130G90.7Very high94.4Very high0 Ų032.9 Ų32.90%017%0.171CC..SBendtrans7830.4-177.700000115.7S127 T128 S148 R151S127-G130 PolarHBondContact O-N 2.65Å; S127-G130 VanDerWaalsContact O-N 3.17Å; T128-G130 VanDerWaalsContact C-N 3.27Å; G130-S148 VanDerWaalsContact C-OG 3.23Å; G130-S148 WeakPolarHBondContact O-CA 3.41Å; G130-S148 PolarHBondContact O-N 3.33Å; G130-S148 PolarHBondContact O-OG 3.2Å; G130-R151 WeakPolarHBondContact CA-O 3.25Å
131K93.2Very high94.5Very high54 Ų5434.5 Ų34.524%0.23518%0.184CC..EExtended strand (participates in β ladder)trans-114.2153.8167.7-61.4168.3166.4-157.60110.4G126 S127 N129 E145 Y146G126-K131 WeakPolarHBondContact CA-O 3.4Å; S127-K131 PolarHBondContact N-O 3.25Å; S127-K131 PolarHBondContact OG-O 3.41Å; N129-K131 WeakPolarHBondContact OD1-CB 3.46Å; N129-K131 VanDerWaalsContact OD1-CG 3.27Å; N129-K131 WeakPolarHBondContact OD1-CG 3.43Å; N129-K131 PolarHBondContact OD1-N 3.29Å; K131-E145 HydrophobicContact CB-CG 4.18Å; K131-E145 VanDerWaalsContact CD-CD 3.42Å; K131-E145 HydrophobicContact CD-CG 3.95Å; K131-E145 WeakPolarHBondContact CD-OE2 3.1Å; K131-E145 WeakPolarHBondContact CE-OE1 3.34Å; K131-E145 HydrophobicContact CG-CG 4.26Å; K131-E145 IonicContact NZ-OE1 3.05Å; K131-E145 PolarHBondContact NZ-OE1 3.02Å; K131-E145 IonicContact NZ-OE2 2.76Å; K131-E145 PolarHBondContact NZ-OE2 3.34Å; K131-Y146 CarbonylContact C-O 3.6Å; K131-Y146 VanDerWaalsContact CA-O 3.27Å; K131-Y146 WeakPolarHBondContact CA-O 3.16Å
132V95.8Very high94.6Very high0 Ų035.1 Ų35.10%019%0.191CC..EExtended strand (participates in β ladder)trans-112.1121.9162.7-172.10000107.9A124 C125 Y146 V153 L165 A167A124-V132 HydrophobicContact CB-CG1 3.78Å; C125-V132 WeakPolarHBondContact O-CA 3.14Å; V132-Y146 HydrophobicContact CB-CD2 4.12Å; V132-Y146 HydrophobicContact CG1-CD2 4.35Å; V132-Y146 PolarHBondContact N-O 3.4Å; V132-Y146 VanDerWaalsContact O-CD2 3.23Å; V132-Y146 WeakPolarHBondContact O-CD2 3.46Å; V132-Y146 PolarHBondContact O-N 2.72Å; V132-V153 HydrophobicContact CG2-CB 4.31Å; V132-V153 HydrophobicContact CG2-CG1 3.86Å; V132-V153 HydrophobicContact CG2-CG2 3.9Å; V132-L165 HydrophobicContact CB-CD2 4.43Å; V132-L165 HydrophobicContact CG1-CD2 3.91Å; V132-A167 HydrophobicContact CG2-CB 3.62Å
133D95.1Very high94.6Very high15 Ų1537 Ų378%0.0820%0.203CC..EExtended strand (participates in β ladder)trans-101.2134.4178.4-66.4-60.6000110A124 C125 Y135 E145A124-D133 CarbonylContact C-O 3.5Å; A124-D133 VanDerWaalsContact CA-O 3.3Å; A124-D133 WeakPolarHBondContact CA-O 3.44Å; C125-D133 PolarHBondContact N-O 2.85Å; C125-D133 PolarHBondContact O-N 2.8Å; D133-Y135 HydrophobicContact CB-CD2 4.23Å; D133-Y135 HydrophobicContact CB-CE2 3.36Å; D133-Y135 WeakPolarHBondContact CB-OH 2.86Å; D133-E145 WeakPolarHBondContact OD1-CG 3.28Å
134L96.7Very high94.6Very high11 Ų1137.8 Ų37.86%0.05821%0.209CC..EExtended strand (participates in β ladder)trans-99.4128.7173.7-171.770000109.8K122 A124 L143 A144 Y146 F158K122-L134 HydrophobicContact CB-CD1 4.03Å; K122-L134 HydrophobicContact CB-CG 4.47Å; K122-L134 HydrophobicContact CD-CD2 4.17Å; A124-L134 HydrophobicContact CB-CD1 4.49Å; L134-L143 HydrophobicContact CB-CB 4.41Å; L134-L143 HydrophobicContact CD2-CB 4.13Å; L134-L143 HydrophobicContact CD2-CD1 4.34Å; L134-L143 HydrophobicContact CG-CB 4.25Å; L134-L143 HydrophobicContact CG-CD1 4.35Å; L134-L143 PolarHBondContact O-N 2.99Å; L134-A144 HydrophobicContact CB-CB 4.03Å; L134-A144 HydrophobicContact CD2-CB 4.31Å; L134-A144 PolarHBondContact N-O 2.96Å; L134-A144 PolarHBondContact O-N 3.05Å; L134-Y146 HydrophobicContact CB-CE2 4.01Å; L134-F158 HydrophobicContact CD1-CE1 4.5Å; L134-F158 HydrophobicContact CD1-CZ 3.78Å
135Y96.7Very high94.6Very high34 Ų3442.1 Ų42.113%0.13323%0.229CC..EExtended strand (participates in β ladder)trans-123.1151.8178.7-61.2-83000111.9R106 K122 F123 C125 D133 A141R106-Y135 VanDerWaalsContact NH1-CE1 3.28Å; K122-Y135 CarbonylContact C-O 3.57Å; K122-Y135 WeakPolarHBondContact CA-O 3.42Å; K122-Y135 VanDerWaalsContact CB-O 3.3Å; K122-Y135 WeakPolarHBondContact CB-O 3.46Å; F123-Y135 HydrophobicContact CD2-CD2 4.4Å; F123-Y135 AromaticContact CE2-CD2 3.79Å; F123-Y135 HydrophobicContact CE2-CD2 3.79Å; F123-Y135 HydrophobicContact CE2-CG 4.22Å; F123-Y135 HydrophobicContact CZ-CD2 4.04Å; F123-Y135 AromaticContact CZ-CG 4Å; F123-Y135 HydrophobicContact CZ-CG 4Å; F123-Y135 PolarHBondContact N-O 2.9Å; F123-Y135 PolarHBondContact O-N 2.96Å; C125-Y135 HydrophobicContact CB-CE2 4.23Å; D133-Y135 HydrophobicContact CB-CD2 4.23Å; D133-Y135 HydrophobicContact CB-CE2 3.36Å; D133-Y135 WeakPolarHBondContact CB-OH 2.86Å; Y135-A141 CarbonylContact C-O 3.59Å; Y135-A141 VanDerWaalsContact CA-O 3.29Å; Y135-A141 WeakPolarHBondContact CA-O 3.32Å
136S96.8Very high94.6Very high13 Ų1342 Ų429%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-79.1131.2166.81710000110.9E138 N139 D140 A141S136-E138 VanDerWaalsContact C-N 3.3Å; S136-E138 PolarHBondContact OG-N 2.88Å; S136-N139 WeakPolarHBondContact CB-OD1 3.14Å; S136-N139 PolarHBondContact OG-OD1 2.86Å; S136-D140 VanDerWaalsContact O-CA 3.25Å; S136-D140 WeakPolarHBondContact O-CA 3.19Å; S136-D140 PolarHBondContact O-N 3.17Å; S136-A141 PolarHBondContact N-O 3.34Å
137V96Very high94.7Very high14 Ų1448.3 Ų48.39%0.08526%0.258CS..THydrogen-bonded Turntrans-68.1-33.2171.9174.70000111V91 K102 F104 T121 F123 N139V91-V137 HydrophobicContact CB-CG1 4.28Å; V91-V137 HydrophobicContact CG1-CG1 4.07Å; V91-V137 HydrophobicContact CG2-CG1 4.32Å; V91-V137 HydrophobicContact CG2-CG2 4.24Å; K102-V137 HydrophobicContact CB-CG1 4.4Å; K102-V137 HydrophobicContact CG-CG1 3.97Å; K102-V137 WeakPolarHBondContact CG-O 3.49Å; F104-V137 HydrophobicContact CZ-CG1 4.34Å; F104-V137 WeakPolarHBondContact CZ-O 3.43Å; T121-V137 WeakPolarHBondContact O-CB 3.23Å; T121-V137 PolarHBondContact O-N 3.23Å; F123-V137 HydrophobicContact CD1-CG2 3.69Å; F123-V137 HydrophobicContact CE1-CG2 4.33Å; V137-N139 PolarHBondContact O-N 3.07Å
138E95.2Very high94.6Very high152 Ų15248.2 Ų48.271%0.7126%0.258SS*.THydrogen-bonded Turntrans-65.2-45.8-174.3-173.5-179.2177.400112K102 S136K102-E138 PolarHBondContact NZ-O 2.87Å; S136-E138 VanDerWaalsContact C-N 3.3Å; S136-E138 PolarHBondContact OG-N 2.88Å
139N94.5Very high94.2Very high103 Ų10347.6 Ų47.655%0.55126%0.262SS*.THydrogen-bonded Turntrans-134.48.9-166.261.816.4000115S136 V137 A141S136-N139 WeakPolarHBondContact CB-OD1 3.14Å; S136-N139 PolarHBondContact OG-OD1 2.86Å; V137-N139 PolarHBondContact O-N 3.07Å; N139-A141 PolarHBondContact O-N 3.09Å; N139-A141 VanDerWaalsContact O-N 3.09Å; N139-A141 WeakPolarHBondContact OD1-CB 3.3Å; N139-A141 PolarHBondContact OD1-N 3.25Å; N139-A141 VanDerWaalsContact OD1-N 3.15Å
140D94.8Very high94Very high59 Ų5946.3 Ų46.332%0.31626%0.263SS..  trans56.221-178.1-162.527.2000114F104 R106 S136 S142F104-D140 HydrophobicContact CD1-CB 3.77Å; F104-D140 VanDerWaalsContact CD1-CG 3.46Å; F104-D140 VanDerWaalsContact CD1-OD1 3.31Å; F104-D140 WeakPolarHBondContact CD1-OD1 3.46Å; F104-D140 HydrophobicContact CE1-CB 3.76Å; R106-D140 IonicContact CZ-OD1 2.9Å; R106-D140 IonicContact CZ-OD2 3.14Å; R106-D140 IonicContact NH1-OD1 3.86Å; R106-D140 PolarHBondContact NH1-OD1 2.95Å; R106-D140 IonicContact NH1-OD2 3.45Å; R106-D140 IonicContact NH2-OD1 3.26Å; R106-D140 PolarHBondContact NH2-OD1 3.01Å; R106-D140 IonicContact NH2-OD2 3.43Å; R106-D140 PolarHBondContact NH2-OD2 3.1Å; S136-D140 VanDerWaalsContact O-CA 3.25Å; S136-D140 WeakPolarHBondContact O-CA 3.19Å; S136-D140 PolarHBondContact O-N 3.17Å; D140-S142 PolarHBondContact O-N 3.13Å
141A96.2Very high93.9Very high37 Ų3752.5 Ų52.531%0.30629%0.286SS..  trans-69.8131.7176.400000109.9Y135 S136 N139 L143Y135-A141 CarbonylContact C-O 3.59Å; Y135-A141 VanDerWaalsContact CA-O 3.29Å; Y135-A141 WeakPolarHBondContact CA-O 3.32Å; S136-A141 PolarHBondContact N-O 3.34Å; N139-A141 PolarHBondContact O-N 3.09Å; N139-A141 VanDerWaalsContact O-N 3.09Å; N139-A141 WeakPolarHBondContact OD1-CB 3.3Å; N139-A141 PolarHBondContact OD1-N 3.25Å; N139-A141 VanDerWaalsContact OD1-N 3.15Å; A141-L143 HydrophobicContact CB-CD2 4.26Å; A141-L143 PolarHBondContact O-N 3.17Å
142S95.4Very high94Very high79 Ų7951.8 Ų51.855%0.55228%0.283SS*.EExtended strand (participates in β ladder)trans-67.4123.1164.1177.90000108.7D140D140-S142 PolarHBondContact O-N 3.13Å
143L97Very high94Very high89 Ų8951.8 Ų51.847%0.46628%0.283SS..EExtended strand (participates in β ladder)trans-103.3-39.6-175-58.6-179.5000111.7K122 L134 A141K122-L143 HydrophobicContact CD-CD1 3.76Å; K122-L143 HydrophobicContact CG-CD1 3.79Å; L134-L143 HydrophobicContact CB-CB 4.41Å; L134-L143 HydrophobicContact CD2-CB 4.13Å; L134-L143 HydrophobicContact CD2-CD1 4.34Å; L134-L143 HydrophobicContact CG-CB 4.25Å; L134-L143 HydrophobicContact CG-CD1 4.35Å; L134-L143 PolarHBondContact O-N 2.99Å; A141-L143 HydrophobicContact CB-CD2 4.26Å; A141-L143 PolarHBondContact O-N 3.17Å
144A97.1Very high94Very high15 Ų1552.1 Ų52.112%0.12429%0.285CS..EExtended strand (participates in β ladder)trans-156.4160.8-17800000111L134 Y146L134-A144 HydrophobicContact CB-CB 4.03Å; L134-A144 HydrophobicContact CD2-CB 4.31Å; L134-A144 PolarHBondContact N-O 2.96Å; L134-A144 PolarHBondContact O-N 3.05Å; A144-Y146 HydrophobicContact CB-CE2 4.25Å
145E95.4Very high94Very high91 Ų9152 Ų5243%0.42529%0.285SS..EExtended strand (participates in β ladder)trans-133.3132.2173.9-178.4-173.698.800108.2K131 D133K131-E145 HydrophobicContact CB-CG 4.18Å; K131-E145 VanDerWaalsContact CD-CD 3.42Å; K131-E145 HydrophobicContact CD-CG 3.95Å; K131-E145 WeakPolarHBondContact CD-OE2 3.1Å; K131-E145 WeakPolarHBondContact CE-OE1 3.34Å; K131-E145 HydrophobicContact CG-CG 4.26Å; K131-E145 IonicContact NZ-OE1 3.05Å; K131-E145 PolarHBondContact NZ-OE1 3.02Å; K131-E145 IonicContact NZ-OE2 2.76Å; K131-E145 PolarHBondContact NZ-OE2 3.34Å; D133-E145 WeakPolarHBondContact OD1-CG 3.28Å
146Y96.3Very high94Very high0 Ų051 Ų510%028%0.283CS..EExtended strand (participates in β ladder)trans-117.4117.1179.9-48.8-84.2000109.7K131 V132 L134 A144 L165 F177 T179K131-Y146 CarbonylContact C-O 3.6Å; K131-Y146 VanDerWaalsContact CA-O 3.27Å; K131-Y146 WeakPolarHBondContact CA-O 3.16Å; V132-Y146 HydrophobicContact CB-CD2 4.12Å; V132-Y146 HydrophobicContact CG1-CD2 4.35Å; V132-Y146 PolarHBondContact N-O 3.4Å; V132-Y146 VanDerWaalsContact O-CD2 3.23Å; V132-Y146 WeakPolarHBondContact O-CD2 3.46Å; V132-Y146 PolarHBondContact O-N 2.72Å; L134-Y146 HydrophobicContact CB-CE2 4.01Å; A144-Y146 HydrophobicContact CB-CE2 4.25Å; Y146-L165 HydrophobicContact CD2-CD2 3.37Å; Y146-L165 HydrophobicContact CE1-CD2 4.49Å; Y146-L165 HydrophobicContact CE2-CD2 3.32Å; Y146-L165 HydrophobicContact CG-CD2 4.04Å; Y146-F177 HydrophobicContact CD1-CB 3.57Å; Y146-F177 AromaticContact CD1-CD1 4Å; Y146-F177 HydrophobicContact CD1-CD1 4Å; Y146-F177 HydrophobicContact CD1-CD2 4.4Å; Y146-F177 AromaticContact CD1-CG 3.75Å; Y146-F177 HydrophobicContact CD1-CG 3.75Å; Y146-F177 HydrophobicContact CE1-CB 4.05Å; Y146-F177 HydrophobicContact CG-CB 4.28Å; Y146-F177 HydrophobicContact CG-CD1 4.34Å; Y146-F177 HydrophobicContact CG-CD2 4.3Å; Y146-F177 HydrophobicContact CG-CG 4.05Å; Y146-T179 PolarHBondContact OH-O 3.14Å
147E94.2Very high94Very high131 Ų13150.5 Ų50.561%0.61228%0.279SS*.EExtended strand (participates in β ladder)trans-89.3116.8-177.2-168.6174.2171.200111.8F177E147-F177 WeakPolarHBondContact O-CE1 3.41Å; E147-F177 WeakPolarHBondContact O-CZ 3.36Å
148S90.5Very high94Very high0 Ų050.6 Ų50.60%028%0.279CS..  trans-108.653.1-175.362.50000112.6G130 G150 V153 Y175G130-S148 VanDerWaalsContact C-OG 3.23Å; G130-S148 WeakPolarHBondContact O-CA 3.41Å; G130-S148 PolarHBondContact O-N 3.33Å; G130-S148 PolarHBondContact O-OG 3.2Å; S148-G150 PolarHBondContact O-N 2.7Å; S148-G150 VanDerWaalsContact O-N 3.08Å; S148-V153 WeakPolarHBondContact OG-CG2 3.26Å; S148-Y175 WeakPolarHBondContact O-CE2 3.3Å
149G81Confident94.1Very high42 Ų4243.5 Ų43.543%0.43325%0.246SC..THydrogen-bonded Turntrans671417300000115.7
150G85.4Confident94Very high33 Ų3341.2 Ų41.234%0.3424%0.235SC..THydrogen-bonded Turntrans71.329.2174.300000114.6N129 S148N129-G150 WeakPolarHBondContact O-CA 3.4Å; S148-G150 PolarHBondContact O-N 2.7Å; S148-G150 VanDerWaalsContact O-N 3.08Å
151R89Confident94Very high131 Ų13142.3 Ų42.349%0.49424%0.242SC..SBendtrans-120145.3176.8-63.4-69.5-179-82-6.3110.8G130 V153 D171G130-R151 WeakPolarHBondContact CA-O 3.25Å; R151-V153 PolarHBondContact O-N 2.81Å; R151-V153 VanDerWaalsContact O-N 3.13Å; R151-D171 WeakPolarHBondContact CG-OD2 3.33Å; R151-D171 IonicContact NE-OD2 3.46Å
152F94.3Very high94Very high38 Ų3840.6 Ų40.617%0.16723%0.227CC..  trans-51.5120.4-177.9-170.75.1000111.6W112 T128 L154 T169 Q170W112-F152 HydrophobicContact CB-CE1 3.81Å; W112-F152 HydrophobicContact CB-CZ 3.88Å; W112-F152 HydrophobicContact CE3-CZ 4.2Å; W112-F152 HydrophobicContact CG-CZ 4.42Å; T128-F152 VanDerWaalsContact CA-CD1 3.48Å; T128-F152 HydrophobicContact CG2-CD1 3.71Å; T128-F152 HydrophobicContact CG2-CD2 3.8Å; T128-F152 HydrophobicContact CG2-CE1 3.56Å; T128-F152 HydrophobicContact CG2-CE2 3.63Å; T128-F152 HydrophobicContact CG2-CG 3.84Å; T128-F152 HydrophobicContact CG2-CZ 3.51Å; F152-L154 HydrophobicContact CD1-CD2 4.3Å; F152-L154 HydrophobicContact CD2-CD2 3.96Å; F152-L154 HydrophobicContact CE1-CD2 4.24Å; F152-L154 HydrophobicContact CE2-CD2 3.9Å; F152-L154 HydrophobicContact CG-CD2 4.17Å; F152-L154 HydrophobicContact CZ-CD2 4.04Å; F152-T169 CarbonylContact O-C 3.52Å; F152-T169 WeakPolarHBondContact O-CA 3.33Å; F152-Q170 HydrophobicContact CB-CB 4.15Å; F152-Q170 PolarHBondContact O-N 3Å
153V96Very high94.1Very high0 Ų045 Ų450%023%0.232CC..EExtended strand (participates in β ladder)trans-82.6117.1173.5-177.10000109.7S127 V132 S148 R151 S155 A167S127-V153 PolarHBondContact O-N 3.3Å; V132-V153 HydrophobicContact CG2-CB 4.31Å; V132-V153 HydrophobicContact CG2-CG1 3.86Å; V132-V153 HydrophobicContact CG2-CG2 3.9Å; S148-V153 WeakPolarHBondContact OG-CG2 3.26Å; R151-V153 PolarHBondContact O-N 2.81Å; R151-V153 VanDerWaalsContact O-N 3.13Å; V153-S155 WeakPolarHBondContact CG1-O 3.23Å; V153-A167 HydrophobicContact CG1-CB 4.02Å; V153-A167 HydrophobicContact CG2-CB 4.5Å
154L95.4Very high94Very high23 Ų2341.9 Ų41.912%0.1222%0.217CC..EExtended strand (participates in β ladder)trans-99.3-24.2-176.7-66.8175.3000113.1W112 G113 F152 G168 Q170 A194W112-L154 HydrophobicContact CB-CD2 4.48Å; W112-L154 HydrophobicContact CG-CD2 4.35Å; G113-L154 WeakPolarHBondContact CA-O 3.44Å; G113-L154 PolarHBondContact N-O 2.91Å; F152-L154 HydrophobicContact CD1-CD2 4.3Å; F152-L154 HydrophobicContact CD2-CD2 3.96Å; F152-L154 HydrophobicContact CE1-CD2 4.24Å; F152-L154 HydrophobicContact CE2-CD2 3.9Å; F152-L154 HydrophobicContact CG-CD2 4.17Å; F152-L154 HydrophobicContact CZ-CD2 4.04Å; L154-G168 PolarHBondContact N-O 2.84Å; L154-Q170 HydrophobicContact CD1-CB 4Å; L154-Q170 HydrophobicContact CD1-CG 4.33Å; L154-Q170 HydrophobicContact CG-CB 4.4Å; L154-A194 HydrophobicContact CD1-CB 3.47Å; L154-A194 VanDerWaalsContact CD1-CB 3.47Å
155S96.5Very high94.1Very high9 Ų941.1 Ų41.16%0.06321%0.211CC..EExtended strand (participates in β ladder)trans-143147.9179.450.40000111V153 G168 V195 R196 M198V153-S155 WeakPolarHBondContact CG1-O 3.23Å; S155-G168 PolarHBondContact N-O 3.01Å; S155-G168 PolarHBondContact O-N 3.04Å; S155-V195 PolarHBondContact OG-O 3.34Å; S155-R196 WeakPolarHBondContact CB-O 3.1Å; S155-M198 WeakPolarHBondContact O-CE 3.42Å
156S96.8Very high94.2Very high12 Ų1236.8 Ų36.88%0.08419%0.191CC..EExtended strand (participates in β ladder)trans-139.2148.8171.562.10000110G113 S115 A166G113-S156 PolarHBondContact O-OG 2.8Å; G113-S156 VanDerWaalsContact O-OG 3.13Å; S115-S156 WeakPolarHBondContact CB-O 3.38Å; S115-S156 WeakPolarHBondContact CB-OG 3.4Å; S115-S156 PolarHBondContact N-OG 3.33Å; S115-S156 PolarHBondContact OG-OG 3.02Å; S156-A166 WeakPolarHBondContact CA-O 3.38Å
157S96.6Very high94.2Very high3 Ų336.8 Ų36.82%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-150.9143.2176.9-1760000110L165 A166 F200S157-L165 WeakPolarHBondContact O-CA 3.18Å; S157-L165 WeakPolarHBondContact O-CD1 3.38Å; S157-A166 PolarHBondContact N-O 3.24Å; S157-A166 VanDerWaalsContact N-O 3.12Å; S157-A166 PolarHBondContact O-N 2.73Å; S157-F200 WeakPolarHBondContact O-CE2 3.39Å
158F97.5Very high94.4Very high16 Ų1630.6 Ų30.67%0.0716%0.162CC..EExtended strand (participates in β ladder)trans-102.1150.2175-73.1-79.2000110.4S115 L116 Y117 P118 A124 L134 S164 L165 T179S115-F158 WeakPolarHBondContact OG-CE2 3.44Å; L116-F158 WeakPolarHBondContact O-CD2 3.21Å; Y117-F158 AromaticContact CD2-CD1 3.81Å; Y117-F158 HydrophobicContact CD2-CD1 3.81Å; Y117-F158 HydrophobicContact CD2-CD2 4.42Å; Y117-F158 AromaticContact CD2-CE1 3.61Å; Y117-F158 HydrophobicContact CD2-CE1 3.61Å; Y117-F158 HydrophobicContact CD2-CE2 4.25Å; Y117-F158 HydrophobicContact CD2-CG 4.21Å; Y117-F158 AromaticContact CD2-CZ 3.84Å; Y117-F158 HydrophobicContact CD2-CZ 3.84Å; Y117-F158 HydrophobicContact CE2-CD1 4.14Å; Y117-F158 HydrophobicContact CE2-CE1 4.08Å; P118-F158 HydrophobicContact CG-CB 4.4Å; A124-F158 HydrophobicContact CB-CE2 3.66Å; A124-F158 HydrophobicContact CB-CZ 3.65Å; L134-F158 HydrophobicContact CD1-CE1 4.5Å; L134-F158 HydrophobicContact CD1-CZ 3.78Å; F158-S164 WeakPolarHBondContact CA-O 3.49Å; F158-L165 HydrophobicContact CD1-CB 3.98Å; F158-L165 HydrophobicContact CD1-CD1 3.98Å; F158-L165 HydrophobicContact CD2-CD1 4.31Å; F158-L165 HydrophobicContact CE1-CB 3.82Å; F158-L165 HydrophobicContact CE1-CD1 3.75Å; F158-L165 HydrophobicContact CE1-CD2 4.15Å; F158-L165 HydrophobicContact CE1-CG 4.12Å; F158-L165 HydrophobicContact CE2-CD1 4.11Å; F158-L165 HydrophobicContact CG-CD1 4.26Å; F158-L165 HydrophobicContact CZ-CD1 3.82Å; F158-L165 HydrophobicContact CZ-CD2 4.3Å; F158-L165 HydrophobicContact CZ-CG 4.48Å; F158-T179 HydrophobicContact CD1-CG2 3.99Å; F158-T179 HydrophobicContact CE1-CG2 3.8Å
159T96.1Very high94.7Very high2 Ų230.6 Ų30.61%0.01216%0.162CC..  trans-63.6155.3160.353.40000110.4P118 D161 G162 R163 S164 F200P118-T159 WeakPolarHBondContact CG-O 3.44Å; T159-D161 WeakPolarHBondContact CB-OD1 3.24Å; T159-D161 PolarHBondContact O-N 3.39Å; T159-D161 PolarHBondContact OG1-OD1 3.04Å; T159-G162 WeakPolarHBondContact O-CA 3.23Å; T159-G162 PolarHBondContact O-N 2.9Å; T159-G162 PolarHBondContact OG1-N 2.69Å; T159-R163 PolarHBondContact OG1-N 2.94Å; T159-S164 PolarHBondContact N-O 3.06Å; T159-S164 PolarHBondContact OG1-N 2.77Å; T159-F200 HydrophobicContact CG2-CB 4.41Å; T159-F200 HydrophobicContact CG2-CD1 3.56Å; T159-F200 HydrophobicContact CG2-CD2 4.03Å; T159-F200 HydrophobicContact CG2-CE1 3.63Å; T159-F200 HydrophobicContact CG2-CE2 4.11Å; T159-F200 HydrophobicContact CG2-CG 3.75Å; T159-F200 HydrophobicContact CG2-CZ 3.92Å
160T93.3Very high95.4Very high55 Ų5534 Ų3434%0.33717%0.166SC..THydrogen-bonded Turntrans-61.3-29.5179.950.80000113.2P118 G162 H202P118-T160 VanDerWaalsContact CB-O 3.31Å; P118-T160 WeakPolarHBondContact CB-O 3.49Å; P118-T160 WeakPolarHBondContact CG-O 3.28Å; T160-G162 VanDerWaalsContact C-N 3.3Å; T160-H202 PolarHBondContact OG1-O 2.88Å
161D94.5Very high95.9Very high83 Ų8335.7 Ų35.744%0.44417%0.167SC..THydrogen-bonded Turntrans-84.1-4.9173.172.4-7.3000113.6T159 R163T159-D161 WeakPolarHBondContact CB-OD1 3.24Å; T159-D161 PolarHBondContact O-N 3.39Å; T159-D161 PolarHBondContact OG1-OD1 3.04Å; D161-R163 PolarHBondContact O-N 2.82Å; D161-R163 WeakPolarHBondContact OD1-CB 3.47Å; D161-R163 PolarHBondContact OD1-N 3.18Å; D161-R163 VanDerWaalsContact OD2-CD 3.25Å; D161-R163 WeakPolarHBondContact OD2-CD 3.24Å; D161-R163 WeakPolarHBondContact OD2-CG 3.06Å; D161-R163 IonicContact OD2-CZ 3.89Å; D161-R163 IonicContact OD2-NE 3.76Å; D161-R163 IonicContact OD2-NH1 3.42Å; D161-R163 PolarHBondContact OD2-NH1 3.2Å
162G96.3Very high96.2Very high0 Ų029.5 Ų29.50%015%0.145CC..SBendtrans72.56.2177.600000114.9Y117 T159 T160 T179Y117-G162 VanDerWaalsContact CE2-O 3.31Å; Y117-G162 WeakPolarHBondContact CE2-O 3.17Å; Y117-G162 PolarHBondContact OH-O 2.81Å; T159-G162 WeakPolarHBondContact O-CA 3.23Å; T159-G162 PolarHBondContact O-N 2.9Å; T159-G162 PolarHBondContact OG1-N 2.69Å; T160-G162 VanDerWaalsContact C-N 3.3Å; G162-T179 WeakPolarHBondContact O-CB 3.34Å; G162-T179 VanDerWaalsContact O-CG2 3.23Å; G162-T179 WeakPolarHBondContact O-CG2 3.09Å; G162-T179 PolarHBondContact O-OG1 2.93Å
163R96.3Very high96.3Very high173 Ų17329.7 Ų29.765%0.65315%0.147SC*.SBendtrans-76.4-24.9-176-69.1-172.3177.9146.1-7.7114.5T159 D161 T179T159-R163 PolarHBondContact OG1-N 2.94Å; D161-R163 PolarHBondContact O-N 2.82Å; D161-R163 WeakPolarHBondContact OD1-CB 3.47Å; D161-R163 PolarHBondContact OD1-N 3.18Å; D161-R163 VanDerWaalsContact OD2-CD 3.25Å; D161-R163 WeakPolarHBondContact OD2-CD 3.24Å; D161-R163 WeakPolarHBondContact OD2-CG 3.06Å; D161-R163 IonicContact OD2-CZ 3.89Å; D161-R163 IonicContact OD2-NE 3.76Å; D161-R163 IonicContact OD2-NH1 3.42Å; D161-R163 PolarHBondContact OD2-NH1 3.2Å; R163-T179 WeakPolarHBondContact CA-OG1 3.29Å; R163-T179 PolarHBondContact O-N 2.89Å; R163-T179 PolarHBondContact O-OG1 3.02Å
164S96.6Very high96.3Very high22 Ų2229.8 Ų29.815%0.15415%0.148CC..EExtended strand (participates in β ladder)trans-124.9143.6179.1-59.10000111.6F158 T159 F177F158-S164 WeakPolarHBondContact CA-O 3.49Å; T159-S164 PolarHBondContact N-O 3.06Å; T159-S164 PolarHBondContact OG1-N 2.77Å; S164-F177 VanDerWaalsContact CA-O 3.29Å; S164-F177 WeakPolarHBondContact CA-O 3.24Å
165L97.6Very high96.4Very high0 Ų029.8 Ų29.80%015%0.146CC..EExtended strand (participates in β ladder)trans-120.9125.6172.8171.863000108.9A124 V132 Y146 S157 F158 I176 F177 T179A124-L165 HydrophobicContact CB-CD1 4.29Å; A124-L165 HydrophobicContact CB-CD2 4.43Å; V132-L165 HydrophobicContact CB-CD2 4.43Å; V132-L165 HydrophobicContact CG1-CD2 3.91Å; Y146-L165 HydrophobicContact CD2-CD2 3.37Å; Y146-L165 HydrophobicContact CE1-CD2 4.49Å; Y146-L165 HydrophobicContact CE2-CD2 3.32Å; Y146-L165 HydrophobicContact CG-CD2 4.04Å; S157-L165 WeakPolarHBondContact O-CA 3.18Å; S157-L165 WeakPolarHBondContact O-CD1 3.38Å; F158-L165 HydrophobicContact CD1-CB 3.98Å; F158-L165 HydrophobicContact CD1-CD1 3.98Å; F158-L165 HydrophobicContact CD2-CD1 4.31Å; F158-L165 HydrophobicContact CE1-CB 3.82Å; F158-L165 HydrophobicContact CE1-CD1 3.75Å; F158-L165 HydrophobicContact CE1-CD2 4.15Å; F158-L165 HydrophobicContact CE1-CG 4.12Å; F158-L165 HydrophobicContact CE2-CD1 4.11Å; F158-L165 HydrophobicContact CG-CD1 4.26Å; F158-L165 HydrophobicContact CZ-CD1 3.82Å; F158-L165 HydrophobicContact CZ-CD2 4.3Å; F158-L165 HydrophobicContact CZ-CG 4.48Å; L165-I176 WeakPolarHBondContact O-CA 3.23Å; L165-F177 PolarHBondContact N-O 3.09Å; L165-F177 PolarHBondContact O-N 3.29Å; L165-T179 HydrophobicContact CB-CG2 3.83Å
166A97.4Very high96.4Very high0 Ų029.4 Ų29.40%014%0.144CC..EExtended strand (participates in β ladder)trans-95140.6169.400000110.4S156 S157 I174 Y175 I176 M198 F200 L207S156-A166 WeakPolarHBondContact CA-O 3.38Å; S157-A166 PolarHBondContact N-O 3.24Å; S157-A166 VanDerWaalsContact N-O 3.12Å; S157-A166 PolarHBondContact O-N 2.73Å; A166-I174 HydrophobicContact CB-CG2 4.35Å; A166-Y175 CarbonylContact C-O 3.59Å; A166-Y175 VanDerWaalsContact CA-O 3.32Å; A166-Y175 WeakPolarHBondContact CA-O 3.42Å; A166-I176 HydrophobicContact CB-CD1 3.7Å; A166-M198 HydrophobicContact CB-CE 3.83Å; A166-M198 HydrophobicContact CB-SD 4.14Å; A166-F200 HydrophobicContact CB-CE2 3.66Å; A166-F200 HydrophobicContact CB-CZ 3.85Å; A166-L207 HydrophobicContact CB-CD1 4.09Å; A166-L207 HydrophobicContact CB-CD2 3.91Å
167A97.2Very high96.4Very high0 Ų029 Ų290%014%0.14CC..EExtended strand (participates in β ladder)trans-127116.8172.400000110.1V132 V153 I174 Y175 F177V132-A167 HydrophobicContact CG2-CB 3.62Å; V153-A167 HydrophobicContact CG1-CB 4.02Å; V153-A167 HydrophobicContact CG2-CB 4.5Å; A167-I174 CarbonylContact O-C 3.57Å; A167-I174 VanDerWaalsContact O-CA 3.29Å; A167-I174 WeakPolarHBondContact O-CA 3.14Å; A167-Y175 PolarHBondContact N-O 3.04Å; A167-Y175 PolarHBondContact O-N 2.91Å; A167-F177 HydrophobicContact CB-CE2 3.91Å
168G97.4Very high96.4Very high0 Ų030.5 Ų30.50%015%0.148CC..EExtended strand (participates in β ladder)trans-99.8127.4-178.700000110.5L154 S155L154-G168 PolarHBondContact N-O 2.84Å; S155-G168 PolarHBondContact N-O 3.01Å; S155-G168 PolarHBondContact O-N 3.04Å
169T97.1Very high96.4Very high0 Ų030.7 Ų30.70%015%0.15CC..EExtended strand (participates in β ladder)trans-105.9162.9-169.265.10000113.2F152 D171 G172 L173 Y175 V195F152-T169 CarbonylContact O-C 3.52Å; F152-T169 WeakPolarHBondContact O-CA 3.33Å; T169-D171 VanDerWaalsContact CB-OD1 3.28Å; T169-D171 WeakPolarHBondContact CB-OD1 3.5Å; T169-D171 PolarHBondContact O-N 3.35Å; T169-D171 PolarHBondContact OG1-OD1 3.45Å; T169-G172 PolarHBondContact O-N 3.33Å; T169-L173 PolarHBondContact N-O 3.05Å; T169-L173 PolarHBondContact OG1-N 2.76Å; T169-L173 VanDerWaalsContact OG1-N 3.14Å; T169-L173 PolarHBondContact OG1-O 2.76Å; T169-Y175 HydrophobicContact CG2-CD2 3.9Å; T169-Y175 HydrophobicContact CG2-CE2 3.82Å; T169-V195 PolarHBondContact O-N 3.1Å
170Q96.3Very high96.4Very high114 Ų11439.1 Ų39.153%0.53319%0.19SC..THydrogen-bonded Turntrans-60.8-26.2176.6-174.3177.77.800113.8F152 L154 A194F152-Q170 HydrophobicContact CB-CB 4.15Å; F152-Q170 PolarHBondContact O-N 3Å; L154-Q170 HydrophobicContact CD1-CB 4Å; L154-Q170 HydrophobicContact CD1-CG 4.33Å; L154-Q170 HydrophobicContact CG-CB 4.4Å; Q170-A194 VanDerWaalsContact O-CA 3.25Å; Q170-A194 WeakPolarHBondContact O-CA 3.39Å; Q170-A194 PolarHBondContact O-N 2.99Å; Q170-A194 VanDerWaalsContact O-N 3.15Å
171D95.2Very high96.5Very high68 Ų6840.7 Ų40.736%0.36420%0.199SC..THydrogen-bonded Turntrans-93.37.1179.564.5-22.9000114.3R151 T169R151-D171 WeakPolarHBondContact CG-OD2 3.33Å; R151-D171 IonicContact NE-OD2 3.46Å; T169-D171 VanDerWaalsContact CB-OD1 3.28Å; T169-D171 WeakPolarHBondContact CB-OD1 3.5Å; T169-D171 PolarHBondContact O-N 3.35Å; T169-D171 PolarHBondContact OG1-OD1 3.45Å
172G95.9Very high96.6Very high2 Ų238.7 Ų38.72%0.02119%0.192CC..SBendtrans89.36.517400000115T169 H191 K193T169-G172 PolarHBondContact O-N 3.33Å; G172-H191 WeakPolarHBondContact O-CB 3.38Å; G172-K193 WeakPolarHBondContact CA-O 3.48Å
173L96.4Very high96.6Very high42 Ų4241 Ų4122%0.2221%0.211CC..  trans-86.4153.8172.8-63.7176.4000110.7T169 Y175 T189T169-L173 PolarHBondContact N-O 3.05Å; T169-L173 PolarHBondContact OG1-N 2.76Å; T169-L173 VanDerWaalsContact OG1-N 3.14Å; T169-L173 PolarHBondContact OG1-O 2.76Å; L173-Y175 HydrophobicContact CB-CE2 3.87Å; L173-Y175 HydrophobicContact CD1-CE2 4.39Å; L173-Y175 WeakPolarHBondContact CD1-OH 3.25Å; L173-T189 HydrophobicContact CD2-CG2 3.8Å
174I96.8Very high96.6Very high1 Ų137.8 Ų37.81%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-126.8133.7170.7-58.2168.1000108.1A166 A167 I176 S187 L188 V195 M198 L207 S209A166-I174 HydrophobicContact CB-CG2 4.35Å; A167-I174 CarbonylContact O-C 3.57Å; A167-I174 VanDerWaalsContact O-CA 3.29Å; A167-I174 WeakPolarHBondContact O-CA 3.14Å; I174-I176 HydrophobicContact CG2-CD1 4.07Å; I174-S187 CarbonylContact O-C 3.54Å; I174-S187 WeakPolarHBondContact O-CA 3.14Å; I174-L188 HydrophobicContact CB-CB 4.08Å; I174-L188 HydrophobicContact CB-CD1 4.22Å; I174-L188 HydrophobicContact CB-CG 4.31Å; I174-L188 HydrophobicContact CG2-CD1 4.01Å; I174-L188 HydrophobicContact CG2-CG 4.44Å; I174-L188 PolarHBondContact N-O 3.31Å; I174-L188 VanDerWaalsContact N-O 3.08Å; I174-L188 PolarHBondContact O-N 2.93Å; I174-V195 HydrophobicContact CD1-CG1 4.16Å; I174-V195 HydrophobicContact CD1-CG2 4.4Å; I174-V195 HydrophobicContact CG1-CG1 4.18Å; I174-V195 HydrophobicContact CG1-CG2 3.97Å; I174-M198 HydrophobicContact CB-SD 4.39Å; I174-M198 HydrophobicContact CD1-SD 3.91Å; I174-M198 HydrophobicContact CG1-SD 3.89Å; I174-M198 HydrophobicContact CG2-SD 3.65Å; I174-L207 HydrophobicContact CD1-CD2 4.29Å; I174-L207 HydrophobicContact CG2-CD2 3.7Å; I174-S209 VanDerWaalsContact CD1-CB 3.41Å; I174-S209 WeakPolarHBondContact CD1-OG 3.39Å
175Y96.5Very high96.5Very high24 Ų2440.8 Ų40.89%0.09422%0.217CC..EExtended strand (participates in β ladder)trans-112.7132.2176.8-64.4-87.9000109.8S148 A166 A167 T169 L173 F177 M184 H186 S187S148-Y175 WeakPolarHBondContact O-CE2 3.3Å; A166-Y175 CarbonylContact C-O 3.59Å; A166-Y175 VanDerWaalsContact CA-O 3.32Å; A166-Y175 WeakPolarHBondContact CA-O 3.42Å; A167-Y175 PolarHBondContact N-O 3.04Å; A167-Y175 PolarHBondContact O-N 2.91Å; T169-Y175 HydrophobicContact CG2-CD2 3.9Å; T169-Y175 HydrophobicContact CG2-CE2 3.82Å; L173-Y175 HydrophobicContact CB-CE2 3.87Å; L173-Y175 HydrophobicContact CD1-CE2 4.39Å; L173-Y175 WeakPolarHBondContact CD1-OH 3.25Å; Y175-F177 VanDerWaalsContact CB-CE2 3.49Å; Y175-F177 HydrophobicContact CG-CZ 4.35Å; Y175-M184 HydrophobicContact CD1-CG 4.24Å; Y175-M184 HydrophobicContact CD1-SD 3.5Å; Y175-M184 WeakPolarHBondContact CD1-SD 3.23Å; Y175-M184 HydrophobicContact CE1-SD 3.88Å; Y175-H186 WeakPolarHBondContact CA-O 3.48Å; Y175-S187 WeakPolarHBondContact CE1-OG 3.24Å
176I96.6Very high96.3Very high1 Ų143.1 Ų43.11%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-107.2126.5175.7-51.1-58.9000108.2L165 A166 I174 M184 Q185 H186 L188 F200 L207 L221L165-I176 WeakPolarHBondContact O-CA 3.23Å; A166-I176 HydrophobicContact CB-CD1 3.7Å; I174-I176 HydrophobicContact CG2-CD1 4.07Å; I176-M184 CarbonylContact O-C 3.53Å; I176-Q185 PolarHBondContact O-N 2.87Å; I176-H186 HydrophobicContact CB-CB 4.07Å; I176-H186 HydrophobicContact CG1-CB 4.12Å; I176-H186 PolarHBondContact N-O 2.72Å; I176-H186 PolarHBondContact O-N 3.47Å; I176-L188 HydrophobicContact CD1-CD1 3.92Å; I176-L188 HydrophobicContact CG1-CD1 3.87Å; I176-L188 HydrophobicContact CG1-CD2 4.4Å; I176-L188 HydrophobicContact CG1-CG 4.14Å; I176-F200 HydrophobicContact CD1-CZ 4.31Å; I176-L207 HydrophobicContact CD1-CD2 3.91Å; I176-L221 HydrophobicContact CD1-CD1 4.48Å; I176-L221 HydrophobicContact CG1-CD2 4.22Å
177F97.1Very high96.1Very high2 Ų246 Ų461%0.00925%0.247CC..EExtended strand (participates in β ladder)trans-117144179.3-55.9-85.3000110.8Y146 E147 S164 L165 A167 Y175 A183 M184Y146-F177 HydrophobicContact CD1-CB 3.57Å; Y146-F177 AromaticContact CD1-CD1 4Å; Y146-F177 HydrophobicContact CD1-CD1 4Å; Y146-F177 HydrophobicContact CD1-CD2 4.4Å; Y146-F177 AromaticContact CD1-CG 3.75Å; Y146-F177 HydrophobicContact CD1-CG 3.75Å; Y146-F177 HydrophobicContact CE1-CB 4.05Å; Y146-F177 HydrophobicContact CG-CB 4.28Å; Y146-F177 HydrophobicContact CG-CD1 4.34Å; Y146-F177 HydrophobicContact CG-CD2 4.3Å; Y146-F177 HydrophobicContact CG-CG 4.05Å; E147-F177 WeakPolarHBondContact O-CE1 3.41Å; E147-F177 WeakPolarHBondContact O-CZ 3.36Å; S164-F177 VanDerWaalsContact CA-O 3.29Å; S164-F177 WeakPolarHBondContact CA-O 3.24Å; L165-F177 PolarHBondContact N-O 3.09Å; L165-F177 PolarHBondContact O-N 3.29Å; A167-F177 HydrophobicContact CB-CE2 3.91Å; Y175-F177 VanDerWaalsContact CB-CE2 3.49Å; Y175-F177 HydrophobicContact CG-CZ 4.35Å; F177-A183 WeakPolarHBondContact CA-O 3.17Å; F177-M184 HydrophobicContact CD1-CB 3.9Å; F177-M184 HydrophobicContact CD1-CG 4.37Å; F177-M184 HydrophobicContact CE1-CB 3.77Å; F177-M184 HydrophobicContact CE1-CG 4.03Å
178D96.7Very high96Very high36 Ų3646.2 Ų46.219%0.19325%0.248CC..EExtended strand (participates in β ladder)trans-75.8122.8162.4-178-78.8000108.7E180 T181 S182 A183 Q185D178-E180 PolarHBondContact O-N 3.33Å; D178-E180 PolarHBondContact OD1-N 2.83Å; D178-E180 VanDerWaalsContact OD1-N 3.16Å; D178-T181 VanDerWaalsContact CB-OG1 3.29Å; D178-T181 WeakPolarHBondContact CB-OG1 3.41Å; D178-T181 WeakPolarHBondContact OD1-CB 3.45Å; D178-T181 WeakPolarHBondContact OD1-CG2 3.32Å; D178-T181 PolarHBondContact OD1-N 3.46Å; D178-T181 PolarHBondContact OD1-OG1 3.38Å; D178-S182 WeakPolarHBondContact O-CA 3.49Å; D178-S182 PolarHBondContact O-N 3.41Å; D178-A183 PolarHBondContact N-O 3.2Å; D178-Q185 HydrophobicContact CB-CG 4.03Å; D178-Q185 PolarHBondContact OD2-NE2 2.98Å
179T96.9Very high95.8Very high19 Ų1950.5 Ų50.512%0.11728%0.275CS..THydrogen-bonded Turntrans-74.5-26.4-171.855.20000113.4Y146 F158 G162 R163 L165Y146-T179 PolarHBondContact OH-O 3.14Å; F158-T179 HydrophobicContact CD1-CG2 3.99Å; F158-T179 HydrophobicContact CE1-CG2 3.8Å; G162-T179 WeakPolarHBondContact O-CB 3.34Å; G162-T179 VanDerWaalsContact O-CG2 3.23Å; G162-T179 WeakPolarHBondContact O-CG2 3.09Å; G162-T179 PolarHBondContact O-OG1 2.93Å; R163-T179 WeakPolarHBondContact CA-OG1 3.29Å; R163-T179 PolarHBondContact O-N 2.89Å; R163-T179 PolarHBondContact O-OG1 3.02Å; L165-T179 HydrophobicContact CB-CG2 3.83Å
180E95.6Very high95.5Very high179 Ų17952.5 Ų52.584%0.83630%0.295SS*.THydrogen-bonded Turntrans-77.8-43.4-179.6-175.9176.8177.600111.3D178D178-E180 PolarHBondContact O-N 3.33Å; D178-E180 PolarHBondContact OD1-N 2.83Å; D178-E180 VanDerWaalsContact OD1-N 3.16Å
181T96.6Very high95.5Very high88 Ų8847.9 Ų47.954%0.5427%0.273SS..THydrogen-bonded Turntrans-97.1-12.4-175.1630000113.6D178 A183D178-T181 VanDerWaalsContact CB-OG1 3.29Å; D178-T181 WeakPolarHBondContact CB-OG1 3.41Å; D178-T181 WeakPolarHBondContact OD1-CB 3.45Å; D178-T181 WeakPolarHBondContact OD1-CG2 3.32Å; D178-T181 PolarHBondContact OD1-N 3.46Å; D178-T181 PolarHBondContact OD1-OG1 3.38Å; T181-A183 PolarHBondContact O-N 2.67Å; T181-A183 VanDerWaalsContact O-N 3.16Å; T181-A183 WeakPolarHBondContact OG1-CB 3.2Å; T181-A183 PolarHBondContact OG1-N 2.96Å
182S96.3Very high95.5Very high42 Ų4248.8 Ų48.829%0.29429%0.29SS..  trans60.412.6-171-48.80000115D178D178-S182 WeakPolarHBondContact O-CA 3.49Å; D178-S182 PolarHBondContact O-N 3.41Å
183A96Very high95.6Very high49 Ų4953.6 Ų53.641%0.40531%0.311SS..  trans-77.1133.4-179.700000111.2F177 D178 T181 Q185F177-A183 WeakPolarHBondContact CA-O 3.17Å; D178-A183 PolarHBondContact N-O 3.2Å; T181-A183 PolarHBondContact O-N 2.67Å; T181-A183 VanDerWaalsContact O-N 3.16Å; T181-A183 WeakPolarHBondContact OG1-CB 3.2Å; T181-A183 PolarHBondContact OG1-N 2.96Å; A183-Q185 PolarHBondContact O-N 3.5Å
184M96.1Very high95.6Very high105 Ų10551.9 Ų51.952%0.51730%0.302SS..EExtended strand (participates in β ladder)trans-67.7113.6167.5-173.7-168.974.800109.1Y175 I176 F177Y175-M184 HydrophobicContact CD1-CG 4.24Å; Y175-M184 HydrophobicContact CD1-SD 3.5Å; Y175-M184 WeakPolarHBondContact CD1-SD 3.23Å; Y175-M184 HydrophobicContact CE1-SD 3.88Å; I176-M184 CarbonylContact O-C 3.53Å; F177-M184 HydrophobicContact CD1-CB 3.9Å; F177-M184 HydrophobicContact CD1-CG 4.37Å; F177-M184 HydrophobicContact CE1-CB 3.77Å; F177-M184 HydrophobicContact CE1-CG 4.03Å
185Q94.1Very high95.6Very high85 Ų8551.8 Ų51.840%0.39730%0.302SS..EExtended strand (participates in β ladder)trans-84.2-43177.3-65.5-176.8-37.800111.1I176 D178 A183I176-Q185 PolarHBondContact O-N 2.87Å; D178-Q185 HydrophobicContact CB-CG 4.03Å; D178-Q185 PolarHBondContact OD2-NE2 2.98Å; A183-Q185 PolarHBondContact O-N 3.5Å
186H93.6Very high95.6Very high49 Ų4954.4 Ų54.423%0.22731%0.312CS..EExtended strand (participates in β ladder)trans-144.3151-174.3-55.1-67.8000112.9Y175 I176 L188 S225Y175-H186 WeakPolarHBondContact CA-O 3.48Å; I176-H186 HydrophobicContact CB-CB 4.07Å; I176-H186 HydrophobicContact CG1-CB 4.12Å; I176-H186 PolarHBondContact N-O 2.72Å; I176-H186 PolarHBondContact O-N 3.47Å; H186-L188 HydrophobicContact CB-CD2 3.79Å; H186-S225 PolarHBondContact CD2-OG 2.85Å; H186-S225 PolarHBondContact CE1-OG 2.88Å; H186-S225 VanDerWaalsContact CE1-OG 3.28Å; H186-S225 WeakPolarHBondContact ND1-CB 3.4Å; H186-S225 PolarHBondContact ND1-OG 3.38Å; H186-S225 PolarHBondContact NE2-OG 2.78Å
187S93.6Very high95.6Very high59 Ų5955.1 Ų55.141%0.41332%0.316SS..EExtended strand (participates in β ladder)trans-120.4115.9163-178.90000107.6I174 Y175I174-S187 CarbonylContact O-C 3.54Å; I174-S187 WeakPolarHBondContact O-CA 3.14Å; Y175-S187 WeakPolarHBondContact CE1-OG 3.24Å
188L94.9Very high95.6Very high5 Ų555.4 Ų55.43%0.02632%0.318CS..EExtended strand (participates in β ladder)trans-99.1139.7-176.1-37.1177.7000109.3I174 I176 H186 L207 H219 L221 S225I174-L188 HydrophobicContact CB-CB 4.08Å; I174-L188 HydrophobicContact CB-CD1 4.22Å; I174-L188 HydrophobicContact CB-CG 4.31Å; I174-L188 HydrophobicContact CG2-CD1 4.01Å; I174-L188 HydrophobicContact CG2-CG 4.44Å; I174-L188 PolarHBondContact N-O 3.31Å; I174-L188 VanDerWaalsContact N-O 3.08Å; I174-L188 PolarHBondContact O-N 2.93Å; I176-L188 HydrophobicContact CD1-CD1 3.92Å; I176-L188 HydrophobicContact CG1-CD1 3.87Å; I176-L188 HydrophobicContact CG1-CD2 4.4Å; I176-L188 HydrophobicContact CG1-CG 4.14Å; H186-L188 HydrophobicContact CB-CD2 3.79Å; L188-L207 HydrophobicContact CD1-CD2 4.07Å; L188-H219 HydrophobicContact CD1-CB 3.8Å; L188-L221 HydrophobicContact CD1-CD2 3.99Å; L188-L221 HydrophobicContact CD2-CD2 4.16Å; L188-S225 VanDerWaalsContact CD2-CB 3.45Å
189T93.7Very high95.6Very high91 Ų9156.7 Ų56.756%0.55832%0.322SS*.  trans-114.6167.717462.10000108.9L173 H219 T227L173-T189 HydrophobicContact CD2-CG2 3.8Å; T189-H219 PolarHBondContact O-CE1 3.08Å; T189-H219 VanDerWaalsContact O-CE1 3.31Å; T189-T227 PolarHBondContact O-OG1 2.94Å
190G91.6Very high95.4Very high41 Ų4156.2 Ų56.242%0.42332%0.319SS..  trans144.1-24.8176.700000112.8
191H95.4Very high95.1Very high17 Ų1747.8 Ų47.88%0.07928%0.28CS..  trans-98.5144.6171.1-66.8-65.8000112.1G172 V195 S209 A211 D213 F215 V217G172-H191 WeakPolarHBondContact O-CB 3.38Å; H191-V195 HydrophobicContact CB-CG2 4.21Å; H191-S209 PolarHBondContact CD2-OG 2.94Å; H191-S209 WeakPolarHBondContact NE2-CB 3.24Å; H191-S209 PolarHBondContact NE2-O 2.91Å; H191-S209 PolarHBondContact NE2-OG 3.17Å; H191-A211 HydrophobicContact CB-CB 4.08Å; H191-A211 WeakPolarHBondContact ND1-CB 3.39Å; H191-D213 WeakPolarHBondContact CA-OD2 3.4Å; H191-D213 VanDerWaalsContact CB-OD2 3.28Å; H191-D213 WeakPolarHBondContact CB-OD2 3.38Å; H191-D213 IonicContact CE1-OD1 3.2Å; H191-D213 IonicContact CG-OD2 2.78Å; H191-D213 IonicContact ND1-OD1 2.85Å; H191-D213 PolarHBondContact ND1-OD1 3.34Å; H191-D213 VanDerWaalsContact ND1-OD1 3.14Å; H191-D213 IonicContact ND1-OD2 3.64Å; H191-D213 PolarHBondContact ND1-OD2 3.27Å; H191-D213 VanDerWaalsContact ND1-OD2 3.1Å; H191-F215 PolarHBondContact CE1-O 3.37Å; H191-F215 VanDerWaalsContact CE1-O 3.25Å; H191-V217 WeakPolarHBondContact CE1-CG2 3.2Å
192A95.5Very high94.7Very high87 Ų8750.3 Ų50.372%0.71929%0.285SS*.SBendtrans-100.6-3.9174.700000112.7D213A192-D213 PolarHBondContact N-OD2 2.9Å
193K96.8Very high94.1Very high104 Ų10451 Ų5145%0.45229%0.286SS..SBendtrans-144.5172.6-178.6-62.6-171.4174.9-1740110.8G172 V195 E212 D213G172-K193 WeakPolarHBondContact CA-O 3.48Å; K193-V195 PolarHBondContact O-N 2.77Å; K193-E212 HydrophobicContact CB-CB 3.84Å; K193-E212 HydrophobicContact CD-CB 3.95Å; K193-D213 HydrophobicContact CB-CB 4.12Å; K193-D213 HydrophobicContact CD-CB 4.35Å; K193-D213 HydrophobicContact CG-CB 4.12Å
194A96.9Very high93.8Very high5 Ų549.4 Ų49.44%0.04127%0.274CS..  trans-40.5122.3179.400000114.5L154 Q170 R196 A211 E212L154-A194 HydrophobicContact CD1-CB 3.47Å; L154-A194 VanDerWaalsContact CD1-CB 3.47Å; Q170-A194 VanDerWaalsContact O-CA 3.25Å; Q170-A194 WeakPolarHBondContact O-CA 3.39Å; Q170-A194 PolarHBondContact O-N 2.99Å; Q170-A194 VanDerWaalsContact O-N 3.15Å; A194-R196 PolarHBondContact O-N 2.82Å; A194-A211 WeakPolarHBondContact O-CA 3.44Å; A194-A211 WeakPolarHBondContact O-CB 3.4Å; A194-E212 HydrophobicContact CB-CG 4.05Å; A194-E212 PolarHBondContact O-N 3.3Å
195V97.4Very high93.4Very high0 Ų048.8 Ų48.80%027%0.268CS..EExtended strand (participates in β ladder)trans-81.7104.6173.3-171.30000108.9S155 T169 I174 H191 K193 M198S155-V195 PolarHBondContact OG-O 3.34Å; T169-V195 PolarHBondContact O-N 3.1Å; I174-V195 HydrophobicContact CD1-CG1 4.16Å; I174-V195 HydrophobicContact CD1-CG2 4.4Å; I174-V195 HydrophobicContact CG1-CG1 4.18Å; I174-V195 HydrophobicContact CG1-CG2 3.97Å; H191-V195 HydrophobicContact CB-CG2 4.21Å; K193-V195 PolarHBondContact O-N 2.77Å; V195-M198 HydrophobicContact CG1-CG 3.65Å; V195-M198 HydrophobicContact CG1-SD 3.98Å
196R96.4Very high93.2Very high78 Ų7844.8 Ų44.829%0.29425%0.25SC..EExtended strand (participates in β ladder)trans-87.7-26-172.8-74.5-174.1166-85.9-1.6113.4S155 A194 G210 E212S155-R196 WeakPolarHBondContact CB-O 3.1Å; A194-R196 PolarHBondContact O-N 2.82Å; R196-G210 PolarHBondContact N-O 3.45Å; R196-E212 HydrophobicContact CG-CG 4.2Å; R196-E212 IonicContact CZ-OE1 3.92Å; R196-E212 VanDerWaalsContact NE-CG 3.26Å; R196-E212 IonicContact NE-OE1 2.88Å; R196-E212 PolarHBondContact NE-OE1 3.44Å; R196-E212 IonicContact NH2-OE1 2.93Å; R196-E212 PolarHBondContact NH2-OE1 2.93Å
197T97.1Very high93.3Very high16 Ų1642.4 Ų42.410%0.09824%0.239CC..EExtended strand (participates in β ladder)trans-152.6145.5-173.1177.80000109.8G210 I238 V241T197-G210 PolarHBondContact N-O 3.05Å; T197-G210 PolarHBondContact O-N 2.89Å; T197-I238 HydrophobicContact CG2-CG2 3.98Å; T197-V241 HydrophobicContact CG2-CB 4.15Å; T197-V241 HydrophobicContact CG2-CG2 3.51Å; T197-V241 PolarHBondContact OG1-N 2.87Å
198M96.9Very high93.3Very high9 Ų939.8 Ų39.84%0.04422%0.22CC..EExtended strand (participates in β ladder)trans-148.5146.1175.5-56.1178.9-65.100109.6S155 A166 I174 V195 L207 F208S155-M198 WeakPolarHBondContact O-CE 3.42Å; A166-M198 HydrophobicContact CB-CE 3.83Å; A166-M198 HydrophobicContact CB-SD 4.14Å; I174-M198 HydrophobicContact CB-SD 4.39Å; I174-M198 HydrophobicContact CD1-SD 3.91Å; I174-M198 HydrophobicContact CG1-SD 3.89Å; I174-M198 HydrophobicContact CG2-SD 3.65Å; V195-M198 HydrophobicContact CG1-CG 3.65Å; V195-M198 HydrophobicContact CG1-SD 3.98Å; M198-L207 HydrophobicContact CB-CD1 4.04Å; M198-L207 HydrophobicContact SD-CD2 4.13Å; M198-F208 CarbonylContact C-O 3.59Å; M198-F208 WeakPolarHBondContact CA-O 3.35Å
199E95.5Very high93.4Very high62 Ų6239.6 Ų39.629%0.2922%0.219SC..EExtended strand (participates in β ladder)trans-143.6132.9175.8-173.168.6172.500109.7F208 V241 A243E199-F208 PolarHBondContact N-O 3.01Å; E199-F208 WeakPolarHBondContact O-CD2 3.33Å; E199-F208 PolarHBondContact O-N 3Å; E199-V241 HydrophobicContact CB-CG1 4.06Å; E199-A243 HydrophobicContact CG-CB 3.91Å
200F93.5Very high93.6Very high9 Ų935.2 Ų35.24%0.03919%0.192CC..EExtended strand (participates in β ladder)trans-77.7148.2172.2-80.4-84.4000111.2S157 T159 A166 I176 L206 L207 L221S157-F200 WeakPolarHBondContact O-CE2 3.39Å; T159-F200 HydrophobicContact CG2-CB 4.41Å; T159-F200 HydrophobicContact CG2-CD1 3.56Å; T159-F200 HydrophobicContact CG2-CD2 4.03Å; T159-F200 HydrophobicContact CG2-CE1 3.63Å; T159-F200 HydrophobicContact CG2-CE2 4.11Å; T159-F200 HydrophobicContact CG2-CG 3.75Å; T159-F200 HydrophobicContact CG2-CZ 3.92Å; A166-F200 HydrophobicContact CB-CE2 3.66Å; A166-F200 HydrophobicContact CB-CZ 3.85Å; I176-F200 HydrophobicContact CD1-CZ 4.31Å; F200-L206 CarbonylContact C-O 3.53Å; F200-L206 WeakPolarHBondContact CA-O 3.1Å; F200-L206 WeakPolarHBondContact CD1-O 3.01Å; F200-L207 HydrophobicContact CD1-CB 4.38Å; F200-L207 HydrophobicContact CD1-CD1 4Å; F200-L207 HydrophobicContact CD2-CD1 3.79Å; F200-L207 HydrophobicContact CE1-CB 4.28Å; F200-L207 HydrophobicContact CE1-CD1 4.02Å; F200-L207 HydrophobicContact CE2-CD1 3.79Å; F200-L207 HydrophobicContact CG-CD1 3.91Å; F200-L207 HydrophobicContact CZ-CD1 3.92Å; F200-L221 HydrophobicContact CD1-CD1 4.43Å; F200-L221 HydrophobicContact CE1-CD1 3.55Å; F200-L221 HydrophobicContact CZ-CD1 4.39Å
201S90Very high93.9Very high3 Ų333.3 Ų33.32%0.02117%0.172CC..  trans-62.4154.6161.557.10000110.4D203 G204 F205 L206S201-D203 VanDerWaalsContact CB-OD1 3.32Å; S201-D203 WeakPolarHBondContact CB-OD1 3.35Å; S201-D203 PolarHBondContact O-N 3.03Å; S201-D203 VanDerWaalsContact O-N 3.14Å; S201-D203 PolarHBondContact OG-OD1 3.34Å; S201-G204 WeakPolarHBondContact O-CA 2.99Å; S201-G204 PolarHBondContact O-N 3.15Å; S201-F205 PolarHBondContact OG-N 3.22Å; S201-L206 PolarHBondContact N-O 3.24Å; S201-L206 PolarHBondContact OG-N 3.02Å; S201-L206 PolarHBondContact OG-O 3.15Å
202H86.8Confident93.9Very high140 Ų14034.3 Ų34.365%0.64818%0.177SC*.THydrogen-bonded Turntrans-60.4-28.4-176.9-165.277.7000113.6T160 G204T160-H202 PolarHBondContact OG1-O 2.88Å; H202-G204 VanDerWaalsContact C-N 3.32Å
203D84.8Confident94Very high57 Ų5730.9 Ų30.931%0.30515%0.146SC..THydrogen-bonded Turntrans-82.7-4.3174.564.35.1000113.9S201 F205S201-D203 VanDerWaalsContact CB-OD1 3.32Å; S201-D203 WeakPolarHBondContact CB-OD1 3.35Å; S201-D203 PolarHBondContact O-N 3.03Å; S201-D203 VanDerWaalsContact O-N 3.14Å; S201-D203 PolarHBondContact OG-OD1 3.34Å; D203-F205 HydrophobicContact CB-CD2 3.76Å; D203-F205 HydrophobicContact CB-CE2 4.03Å; D203-F205 VanDerWaalsContact CG-CD2 3.41Å; D203-F205 PolarHBondContact O-N 2.91Å; D203-F205 PolarHBondContact OD1-N 3.05Å; D203-F205 VanDerWaalsContact OD1-N 3.16Å; D203-F205 WeakPolarHBondContact OD2-CD2 3.03Å
204G89Confident93.9Very high15 Ų1531.7 Ų31.716%0.15515%0.147CC..SBendtrans74.51.2178.100000115.4S201 H202S201-G204 WeakPolarHBondContact O-CA 2.99Å; S201-G204 PolarHBondContact O-N 3.15Å; H202-G204 VanDerWaalsContact C-N 3.32Å
205F87.9Confident93.8Very high93 Ų9334.8 Ų34.841%0.40816%0.159SC..SBendtrans-87.1-23.8-173.2-63.5-50.2000114.5S201 D203 L221 R222S201-F205 PolarHBondContact OG-N 3.22Å; D203-F205 HydrophobicContact CB-CD2 3.76Å; D203-F205 HydrophobicContact CB-CE2 4.03Å; D203-F205 VanDerWaalsContact CG-CD2 3.41Å; D203-F205 PolarHBondContact O-N 2.91Å; D203-F205 PolarHBondContact OD1-N 3.05Å; D203-F205 VanDerWaalsContact OD1-N 3.16Å; D203-F205 WeakPolarHBondContact OD2-CD2 3.03Å; F205-L221 PolarHBondContact O-N 2.85Å; F205-R222 HydrophobicContact CB-CG 3.98Å; F205-R222 HydrophobicContact CD1-CG 3.56Å; F205-R222 HydrophobicContact CE1-CG 4.28Å; F205-R222 HydrophobicContact CG-CG 3.88Å
206L90.8Very high93.7Very high0 Ų034.8 Ų34.80%016%0.159CC..EExtended strand (participates in β ladder)trans-113.2147173.4-56.1-169.8000111.5F200 S201 F208 T218 H219 D220 I319 I323F200-L206 CarbonylContact C-O 3.53Å; F200-L206 WeakPolarHBondContact CA-O 3.1Å; F200-L206 WeakPolarHBondContact CD1-O 3.01Å; S201-L206 PolarHBondContact N-O 3.24Å; S201-L206 PolarHBondContact OG-N 3.02Å; S201-L206 PolarHBondContact OG-O 3.15Å; L206-F208 HydrophobicContact CB-CE1 4.06Å; L206-F208 HydrophobicContact CB-CZ 3.97Å; L206-F208 HydrophobicContact CD1-CE1 3.78Å; L206-F208 HydrophobicContact CD1-CZ 3.86Å; L206-T218 HydrophobicContact CB-CG2 4.29Å; L206-T218 HydrophobicContact CD1-CG2 3.72Å; L206-T218 HydrophobicContact CD2-CG2 4.41Å; L206-T218 HydrophobicContact CG-CG2 4.38Å; L206-H219 VanDerWaalsContact CA-O 3.25Å; L206-H219 WeakPolarHBondContact CA-O 3.4Å; L206-D220 HydrophobicContact CD2-CB 3.8Å; L206-I319 HydrophobicContact CD1-CB 4.23Å; L206-I319 HydrophobicContact CD1-CD1 3.23Å; L206-I319 HydrophobicContact CD1-CG1 3.7Å; L206-I319 HydrophobicContact CD1-CG2 3.54Å; L206-I319 HydrophobicContact CD2-CG2 3.89Å; L206-I319 HydrophobicContact CG-CD1 3.93Å; L206-I319 HydrophobicContact CG-CG2 3.59Å; L206-I323 HydrophobicContact CD1-CD1 4.15Å
207L94.4Very high93.6Very high0 Ų031.1 Ų31.10%015%0.145CC..EExtended strand (participates in β ladder)trans-115.1126.9164.3-175.670.7000109.2A166 I174 I176 L188 M198 F200 T218 H219A166-L207 HydrophobicContact CB-CD1 4.09Å; A166-L207 HydrophobicContact CB-CD2 3.91Å; I174-L207 HydrophobicContact CD1-CD2 4.29Å; I174-L207 HydrophobicContact CG2-CD2 3.7Å; I176-L207 HydrophobicContact CD1-CD2 3.91Å; L188-L207 HydrophobicContact CD1-CD2 4.07Å; M198-L207 HydrophobicContact CB-CD1 4.04Å; M198-L207 HydrophobicContact SD-CD2 4.13Å; F200-L207 HydrophobicContact CD1-CB 4.38Å; F200-L207 HydrophobicContact CD1-CD1 4Å; F200-L207 HydrophobicContact CD2-CD1 3.79Å; F200-L207 HydrophobicContact CE1-CB 4.28Å; F200-L207 HydrophobicContact CE1-CD1 4.02Å; F200-L207 HydrophobicContact CE2-CD1 3.79Å; F200-L207 HydrophobicContact CG-CD1 3.91Å; F200-L207 HydrophobicContact CZ-CD1 3.92Å; L207-T218 CarbonylContact O-C 3.56Å; L207-T218 WeakPolarHBondContact O-CA 3.49Å; L207-H219 HydrophobicContact CB-CB 4.38Å; L207-H219 PolarHBondContact N-O 3.25Å; L207-H219 PolarHBondContact O-N 3.09Å
208F94.9Very high93.4Very high4 Ų430.3 Ų30.32%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-100.7124.8171.8-50.2-63.2000108.6M198 E199 L206 L216 V217 T218 V241 A243 I250 V264 I319M198-F208 CarbonylContact C-O 3.59Å; M198-F208 WeakPolarHBondContact CA-O 3.35Å; E199-F208 PolarHBondContact N-O 3.01Å; E199-F208 WeakPolarHBondContact O-CD2 3.33Å; E199-F208 PolarHBondContact O-N 3Å; L206-F208 HydrophobicContact CB-CE1 4.06Å; L206-F208 HydrophobicContact CB-CZ 3.97Å; L206-F208 HydrophobicContact CD1-CE1 3.78Å; L206-F208 HydrophobicContact CD1-CZ 3.86Å; F208-L216 HydrophobicContact CB-CD1 4.32Å; F208-V217 CarbonylContact C-O 3.58Å; F208-V217 WeakPolarHBondContact CA-O 3.33Å; F208-T218 HydrophobicContact CD1-CG2 3.74Å; F208-T218 WeakPolarHBondContact CD1-OG1 3.45Å; F208-T218 HydrophobicContact CE1-CG2 3.58Å; F208-V241 HydrophobicContact CB-CG1 3.84Å; F208-A243 HydrophobicContact CD2-CB 3.84Å; F208-A243 HydrophobicContact CE2-CB 3.71Å; F208-I250 HydrophobicContact CB-CD1 4.31Å; F208-I250 HydrophobicContact CD1-CD1 3.16Å; F208-I250 HydrophobicContact CD1-CG1 3.95Å; F208-I250 HydrophobicContact CD2-CD1 4.28Å; F208-I250 HydrophobicContact CD2-CG1 4.2Å; F208-I250 HydrophobicContact CE1-CD1 3.35Å; F208-I250 HydrophobicContact CE1-CG1 3.94Å; F208-I250 HydrophobicContact CE2-CD1 4.41Å; F208-I250 HydrophobicContact CE2-CG1 4.19Å; F208-I250 HydrophobicContact CG-CD1 3.65Å; F208-I250 HydrophobicContact CG-CG1 4.05Å; F208-I250 HydrophobicContact CZ-CD1 3.98Å; F208-I250 HydrophobicContact CZ-CG1 4.04Å; F208-V264 HydrophobicContact CE1-CG2 4.19Å; F208-I319 HydrophobicContact CZ-CD1 4.25Å
209S96.9Very high93.2Very high0 Ų030 Ų300%014%0.139CC..EExtended strand (participates in β ladder)trans-124.7136.5-178.460.70000111.7I174 H191 V217 H219I174-S209 VanDerWaalsContact CD1-CB 3.41Å; I174-S209 WeakPolarHBondContact CD1-OG 3.39Å; H191-S209 PolarHBondContact CD2-OG 2.94Å; H191-S209 WeakPolarHBondContact NE2-CB 3.24Å; H191-S209 PolarHBondContact NE2-O 2.91Å; H191-S209 PolarHBondContact NE2-OG 3.17Å; S209-V217 PolarHBondContact N-O 2.84Å; S209-V217 PolarHBondContact O-N 2.98Å; S209-V217 PolarHBondContact OG-O 2.84Å; S209-H219 PolarHBondContact OG-NE2 2.85Å; S209-H219 VanDerWaalsContact OG-NE2 3.1Å
210G97Very high92.9Very high0 Ų028.1 Ų28.10%013%0.131CC..EExtended strand (participates in β ladder)trans-119138176.400000111.6R196 T197R196-G210 PolarHBondContact N-O 3.45Å; T197-G210 PolarHBondContact N-O 3.05Å; T197-G210 PolarHBondContact O-N 2.89Å
211A97.2Very high92.8Very high0 Ų028.9 Ų28.90%014%0.135CC..EExtended strand (participates in β ladder)trans-139.6173.8-173.600000113.6H191 A194 D213 R214 I238H191-A211 HydrophobicContact CB-CB 4.08Å; H191-A211 WeakPolarHBondContact ND1-CB 3.39Å; A194-A211 WeakPolarHBondContact O-CA 3.44Å; A194-A211 WeakPolarHBondContact O-CB 3.4Å; A211-D213 WeakPolarHBondContact CB-OD1 3.46Å; A211-D213 PolarHBondContact O-N 3.15Å; A211-R214 PolarHBondContact O-N 2.87Å; A211-R214 VanDerWaalsContact O-N 3.17Å; A211-I238 PolarHBondContact O-N 3.41Å
212E97.2Very high92.4Very high38 Ų3831.8 Ų31.818%0.17815%0.146CC..THydrogen-bonded Turntrans-70.3-12.9175.1-65.7-175.6176.500114.3K193 A194 R196 R214 W237K193-E212 HydrophobicContact CB-CB 3.84Å; K193-E212 HydrophobicContact CD-CB 3.95Å; A194-E212 HydrophobicContact CB-CG 4.05Å; A194-E212 PolarHBondContact O-N 3.3Å; R196-E212 HydrophobicContact CG-CG 4.2Å; R196-E212 IonicContact CZ-OE1 3.92Å; R196-E212 VanDerWaalsContact NE-CG 3.26Å; R196-E212 IonicContact NE-OE1 2.88Å; R196-E212 PolarHBondContact NE-OE1 3.44Å; R196-E212 IonicContact NH2-OE1 2.93Å; R196-E212 PolarHBondContact NH2-OE1 2.93Å; E212-R214 PolarHBondContact O-N 2.85Å; E212-W237 HydrophobicContact CB-CD2 4.44Å; E212-W237 HydrophobicContact CB-CG 4.08Å; E212-W237 HydrophobicContact CG-CB 4.47Å; E212-W237 HydrophobicContact CG-CD2 3.97Å; E212-W237 HydrophobicContact CG-CE3 4.49Å; E212-W237 HydrophobicContact CG-CG 3.96Å; E212-W237 VanDerWaalsContact O-CD1 3.28Å
213D95.9Very high91.8Very high15 Ų1532.2 Ų32.28%0.0815%0.148CC..THydrogen-bonded Turntrans-76.8-3.9171.963.515.8000113H191 A192 K193 A211 F215H191-D213 WeakPolarHBondContact CA-OD2 3.4Å; H191-D213 VanDerWaalsContact CB-OD2 3.28Å; H191-D213 WeakPolarHBondContact CB-OD2 3.38Å; H191-D213 IonicContact CE1-OD1 3.2Å; H191-D213 IonicContact CG-OD2 2.78Å; H191-D213 IonicContact ND1-OD1 2.85Å; H191-D213 PolarHBondContact ND1-OD1 3.34Å; H191-D213 VanDerWaalsContact ND1-OD1 3.14Å; H191-D213 IonicContact ND1-OD2 3.64Å; H191-D213 PolarHBondContact ND1-OD2 3.27Å; H191-D213 VanDerWaalsContact ND1-OD2 3.1Å; A192-D213 PolarHBondContact N-OD2 2.9Å; K193-D213 HydrophobicContact CB-CB 4.12Å; K193-D213 HydrophobicContact CD-CB 4.35Å; K193-D213 HydrophobicContact CG-CB 4.12Å; A211-D213 WeakPolarHBondContact CB-OD1 3.46Å; A211-D213 PolarHBondContact O-N 3.15Å; D213-F215 VanDerWaalsContact C-N 3.3Å; D213-F215 HydrophobicContact CB-CD2 4.07Å; D213-F215 WeakPolarHBondContact O-CD2 3.41Å; D213-F215 WeakPolarHBondContact O-CE2 3.45Å; D213-F215 PolarHBondContact OD1-N 3.33Å; D213-F215 VanDerWaalsContact OD1-N 3.07Å
214R95.8Very high90.8Very high122 Ų12232.3 Ų32.346%0.4616%0.163SC..  trans76.812.1173.8-40.7172.4-76.5-176.7-0.4114A211 E212 Q234 N235 S236A211-R214 PolarHBondContact O-N 2.87Å; A211-R214 VanDerWaalsContact O-N 3.17Å; E212-R214 PolarHBondContact O-N 2.85Å; R214-Q234 HydrophobicContact CB-CB 4.3Å; R214-N235 VanDerWaalsContact CD-O 3.28Å; R214-N235 WeakPolarHBondContact CD-O 3.03Å; R214-N235 PolarHBondContact NH1-O 3.4Å; R214-S236 WeakPolarHBondContact CB-O 3.49Å; R214-S236 VanDerWaalsContact CG-O 3.3Å; R214-S236 WeakPolarHBondContact CG-O 3.45Å
215F94.9Very high90Very high70 Ų7032.5 Ų32.531%0.30716%0.162SC..  trans-93.8138.5176.2-70-94.3000110.4H191 D213 V217 I238H191-F215 PolarHBondContact CE1-O 3.37Å; H191-F215 VanDerWaalsContact CE1-O 3.25Å; D213-F215 VanDerWaalsContact C-N 3.3Å; D213-F215 HydrophobicContact CB-CD2 4.07Å; D213-F215 WeakPolarHBondContact O-CD2 3.41Å; D213-F215 WeakPolarHBondContact O-CE2 3.45Å; D213-F215 PolarHBondContact OD1-N 3.33Å; D213-F215 VanDerWaalsContact OD1-N 3.07Å; F215-V217 HydrophobicContact CB-CG2 3.98Å; F215-I238 WeakPolarHBondContact O-CD1 3.38Å
216L95.4Very high89.3Confident0 Ų034.4 Ų34.40%017%0.17CC..EExtended strand (participates in β ladder)trans-90.5118.2157.2175.463.9000106.5F208 S230 V231 I238 V241 I250 T252 W262F208-L216 HydrophobicContact CB-CD1 4.32Å; L216-S230 WeakPolarHBondContact O-CA 3.45Å; L216-V231 PolarHBondContact N-O 3.18Å; L216-V231 PolarHBondContact O-N 3.01Å; L216-I238 HydrophobicContact CB-CD1 3.94Å; L216-V241 HydrophobicContact CD1-CG1 4.45Å; L216-V241 HydrophobicContact CD1-CG2 4.13Å; L216-I250 HydrophobicContact CD1-CG2 4.41Å; L216-I250 HydrophobicContact CD2-CB 4.27Å; L216-I250 HydrophobicContact CD2-CD1 3.87Å; L216-I250 HydrophobicContact CD2-CG2 4.07Å; L216-T252 HydrophobicContact CD1-CG2 4.09Å; L216-T252 HydrophobicContact CD2-CG2 4Å; L216-W262 HydrophobicContact CD2-CB 4.06Å; L216-W262 HydrophobicContact CD2-CD2 4.1Å; L216-W262 HydrophobicContact CD2-CG 3.63Å
217V94.4Very high88.5Confident0 Ų037.3 Ų37.30%019%0.188CC..EExtended strand (participates in β ladder)trans-111.8134.9179.9-177.50000108.9H191 F208 S209 F215 H219 T227H191-V217 WeakPolarHBondContact CE1-CG2 3.2Å; F208-V217 CarbonylContact C-O 3.58Å; F208-V217 WeakPolarHBondContact CA-O 3.33Å; S209-V217 PolarHBondContact N-O 2.84Å; S209-V217 PolarHBondContact O-N 2.98Å; S209-V217 PolarHBondContact OG-O 2.84Å; F215-V217 HydrophobicContact CB-CG2 3.98Å; V217-H219 WeakPolarHBondContact CG1-CE1 3.29Å; V217-H219 WeakPolarHBondContact CG1-NE2 3.4Å; V217-T227 HydrophobicContact CG1-CG2 3.52Å
218T92.9Very high87.5Confident0 Ų038.5 Ų38.50%020%0.196CC..EExtended strand (participates in β ladder)trans-111.7126.3174.9-58.50000109.2L206 L207 F208 S228 F229L206-T218 HydrophobicContact CB-CG2 4.29Å; L206-T218 HydrophobicContact CD1-CG2 3.72Å; L206-T218 HydrophobicContact CD2-CG2 4.41Å; L206-T218 HydrophobicContact CG-CG2 4.38Å; L207-T218 CarbonylContact O-C 3.56Å; L207-T218 WeakPolarHBondContact O-CA 3.49Å; F208-T218 HydrophobicContact CD1-CG2 3.74Å; F208-T218 WeakPolarHBondContact CD1-OG1 3.45Å; F208-T218 HydrophobicContact CE1-CG2 3.58Å; T218-S228 PolarHBondContact O-N 3.48Å; T218-F229 HydrophobicContact CG2-CD1 4.24Å; T218-F229 HydrophobicContact CG2-CE1 3.63Å; T218-F229 HydrophobicContact CG2-CZ 4.14Å; T218-F229 PolarHBondContact N-O 3.12Å; T218-F229 PolarHBondContact O-N 3.31Å; T218-F229 WeakPolarHBondContact OG1-CE1 3.28Å; T218-F229 WeakPolarHBondContact OG1-CZ 3.35Å
219H92.4Very high86.8Confident1 Ų138.9 Ų38.91%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-109.4133.2176.4-51-85.7000109.3L188 T189 L206 L207 S209 V217 L221 K226L188-H219 HydrophobicContact CD1-CB 3.8Å; T189-H219 PolarHBondContact O-CE1 3.08Å; T189-H219 VanDerWaalsContact O-CE1 3.31Å; L206-H219 VanDerWaalsContact CA-O 3.25Å; L206-H219 WeakPolarHBondContact CA-O 3.4Å; L207-H219 HydrophobicContact CB-CB 4.38Å; L207-H219 PolarHBondContact N-O 3.25Å; L207-H219 PolarHBondContact O-N 3.09Å; S209-H219 PolarHBondContact OG-NE2 2.85Å; S209-H219 VanDerWaalsContact OG-NE2 3.1Å; V217-H219 WeakPolarHBondContact CG1-CE1 3.29Å; V217-H219 WeakPolarHBondContact CG1-NE2 3.4Å; H219-L221 HydrophobicContact CB-CD2 4.41Å; H219-K226 WeakPolarHBondContact CA-O 3.49Å
220D89.6Confident86.2Confident24 Ų2442.1 Ų42.113%0.12822%0.22CC..EExtended strand (participates in β ladder)trans-101.3119.3173.4-171.7-24.8000109.3L206 R222 S225 K226L206-D220 HydrophobicContact CD2-CB 3.8Å; D220-R222 VanDerWaalsContact CG-NH2 3.3Å; D220-R222 WeakPolarHBondContact OD1-CB 3.28Å; D220-R222 IonicContact OD1-CZ 3.57Å; D220-R222 PolarHBondContact OD1-N 2.97Å; D220-R222 IonicContact OD1-NE 2.89Å; D220-R222 PolarHBondContact OD1-NE 3.39Å; D220-R222 IonicContact OD1-NH2 3.33Å; D220-R222 PolarHBondContact OD1-NH2 3.11Å; D220-R222 IonicContact OD2-CZ 3.82Å; D220-R222 IonicContact OD2-NE 2.77Å; D220-R222 PolarHBondContact OD2-NE 2.86Å; D220-R222 IonicContact OD2-NH2 3.33Å; D220-R222 PolarHBondContact OD2-NH2 3.25Å; D220-S225 VanDerWaalsContact O-CA 3.25Å; D220-S225 WeakPolarHBondContact O-CA 3.32Å; D220-K226 PolarHBondContact N-O 3.38Å; D220-K226 PolarHBondContact O-N 2.58Å
221L89.7Confident85.4Confident25 Ų2542.8 Ų42.813%0.13122%0.224CC..  trans-94.5-0.4-172.2-55.1-179.6000113.7I176 L188 F200 F205 H219 S225I176-L221 HydrophobicContact CD1-CD1 4.48Å; I176-L221 HydrophobicContact CG1-CD2 4.22Å; L188-L221 HydrophobicContact CD1-CD2 3.99Å; L188-L221 HydrophobicContact CD2-CD2 4.16Å; F200-L221 HydrophobicContact CD1-CD1 4.43Å; F200-L221 HydrophobicContact CE1-CD1 3.55Å; F200-L221 HydrophobicContact CZ-CD1 4.39Å; F205-L221 PolarHBondContact O-N 2.85Å; H219-L221 HydrophobicContact CB-CD2 4.41Å; L221-S225 WeakPolarHBondContact CD2-OG 3.31Å
222R83Confident84.4Confident64 Ų6446.7 Ų46.724%0.24225%0.252CS..SBendtrans-75-39.1-176.3-70.3167.7-72.7-152.7-3.7113.9F205 D220 I319 I320F205-R222 HydrophobicContact CB-CG 3.98Å; F205-R222 HydrophobicContact CD1-CG 3.56Å; F205-R222 HydrophobicContact CE1-CG 4.28Å; F205-R222 HydrophobicContact CG-CG 3.88Å; D220-R222 VanDerWaalsContact CG-NH2 3.3Å; D220-R222 WeakPolarHBondContact OD1-CB 3.28Å; D220-R222 IonicContact OD1-CZ 3.57Å; D220-R222 PolarHBondContact OD1-N 2.97Å; D220-R222 IonicContact OD1-NE 2.89Å; D220-R222 PolarHBondContact OD1-NE 3.39Å; D220-R222 IonicContact OD1-NH2 3.33Å; D220-R222 PolarHBondContact OD1-NH2 3.11Å; D220-R222 IonicContact OD2-CZ 3.82Å; D220-R222 IonicContact OD2-NE 2.77Å; D220-R222 PolarHBondContact OD2-NE 2.86Å; D220-R222 IonicContact OD2-NH2 3.33Å; D220-R222 PolarHBondContact OD2-NH2 3.25Å; R222-I319 VanDerWaalsContact NH2-CG2 3.34Å; R222-I320 VanDerWaalsContact NH1-CD1 3.25Å
223E72.7Confident83.1Confident148 Ų14846.9 Ų46.969%0.69226%0.263SS*.SBendtrans-118.171.6-175.2-68.6-165.5172.400112.5S225E223-S225 PolarHBondContact O-N 3.47Å
224G65.5Low82.6Confident60 Ų6046.5 Ų46.562%0.61926%0.261SS*.SBendtrans69.622.6173.400000114
225S70.4Confident82.3Confident19 Ų1946.2 Ų46.213%0.13327%0.269CS..  trans55.491.3174.3-710000114.9H186 L188 D220 L221 E223H186-S225 PolarHBondContact CD2-OG 2.85Å; H186-S225 PolarHBondContact CE1-OG 2.88Å; H186-S225 VanDerWaalsContact CE1-OG 3.28Å; H186-S225 WeakPolarHBondContact ND1-CB 3.4Å; H186-S225 PolarHBondContact ND1-OG 3.38Å; H186-S225 PolarHBondContact NE2-OG 2.78Å; L188-S225 VanDerWaalsContact CD2-CB 3.45Å; D220-S225 VanDerWaalsContact O-CA 3.25Å; D220-S225 WeakPolarHBondContact O-CA 3.32Å; L221-S225 WeakPolarHBondContact CD2-OG 3.31Å; E223-S225 PolarHBondContact O-N 3.47Å
226K74.7Confident82.4Confident133 Ų13344.5 Ų44.558%0.57827%0.266SS*.EExtended strand (participates in β ladder)trans-118.9145.3178.3-66174.8-172.5161.90110.6H219 D220 S228H219-K226 WeakPolarHBondContact CA-O 3.49Å; D220-K226 PolarHBondContact N-O 3.38Å; D220-K226 PolarHBondContact O-N 2.58Å; K226-S228 PolarHBondContact O-N 3Å; K226-S228 VanDerWaalsContact O-N 3.07Å
227T72.8Confident82.4Confident61 Ų6149 Ų4937%0.37428%0.283SS..EExtended strand (participates in β ladder)trans-61.3111.7162.6-49.40000108.5T189 V217T189-T227 PolarHBondContact O-OG1 2.94Å; V217-T227 HydrophobicContact CG1-CG2 3.52Å
228S73.7Confident82.6Confident24 Ų2449 Ų4917%0.16828%0.283CS..EExtended strand (participates in β ladder)trans-78.2-45.5-178.3-179.50000111T218 K226 R267T218-S228 PolarHBondContact O-N 3.48Å; K226-S228 PolarHBondContact O-N 3Å; K226-S228 VanDerWaalsContact O-N 3.07Å; S228-R267 PolarHBondContact O-NH2 3.37Å; S228-R267 VanDerWaalsContact O-NH2 3.12Å
229F80.8Confident82.8Confident12 Ų1249.8 Ų49.85%0.05329%0.287CS..EExtended strand (participates in β ladder)trans-161.8161170.666.5-84.2000112.1T218 V231 V264 R267T218-F229 HydrophobicContact CG2-CD1 4.24Å; T218-F229 HydrophobicContact CG2-CE1 3.63Å; T218-F229 HydrophobicContact CG2-CZ 4.14Å; T218-F229 PolarHBondContact N-O 3.12Å; T218-F229 PolarHBondContact O-N 3.31Å; T218-F229 WeakPolarHBondContact OG1-CE1 3.28Å; T218-F229 WeakPolarHBondContact OG1-CZ 3.35Å; F229-V231 HydrophobicContact CD2-CG2 3.42Å; F229-V231 VanDerWaalsContact CD2-CG2 3.42Å; F229-V231 HydrophobicContact CE2-CG2 3.43Å; F229-V231 VanDerWaalsContact CE2-CG2 3.43Å; F229-V264 HydrophobicContact CE1-CB 4.47Å; F229-V264 HydrophobicContact CE1-CG1 3.6Å; F229-V264 HydrophobicContact CZ-CB 4.1Å; F229-V264 HydrophobicContact CZ-CG1 3.68Å; F229-V264 HydrophobicContact CZ-CG2 4.19Å; F229-R267 HydrophobicContact CB-CG 4.26Å; F229-R267 HydrophobicContact CD1-CG 4.34Å; F229-R267 HydrophobicContact CD2-CB 4.3Å; F229-R267 HydrophobicContact CD2-CG 3.98Å; F229-R267 HydrophobicContact CE2-CG 4.42Å; F229-R267 HydrophobicContact CG-CG 3.94Å
230S83.2Confident83Confident68 Ų6850.2 Ų50.248%0.47629%0.29SS..EExtended strand (participates in β ladder)trans-124.4139.9166.4620000109L216L216-S230 WeakPolarHBondContact O-CA 3.45Å
231V81.6Confident83.4Confident14 Ų1449.4 Ų49.49%0.08529%0.287CS..EExtended strand (participates in β ladder)trans-117.8130.4174.2-158.60000108.9L216 F229 W262 R267L216-V231 PolarHBondContact N-O 3.18Å; L216-V231 PolarHBondContact O-N 3.01Å; F229-V231 HydrophobicContact CD2-CG2 3.42Å; F229-V231 VanDerWaalsContact CD2-CG2 3.42Å; F229-V231 HydrophobicContact CE2-CG2 3.43Å; F229-V231 VanDerWaalsContact CE2-CG2 3.43Å; V231-W262 HydrophobicContact CB-CE3 4.01Å; V231-W262 HydrophobicContact CB-CZ3 3.89Å; V231-W262 HydrophobicContact CG1-CE3 3.7Å; V231-W262 HydrophobicContact CG1-CH2 4.33Å; V231-W262 HydrophobicContact CG1-CZ3 3.34Å; V231-R267 WeakPolarHBondContact CG1-O 3.32Å; V231-R267 HydrophobicContact CG2-CB 4.42Å
232S76.2Confident83.7Confident83 Ų8348.7 Ų48.758%0.5828%0.284SS*.  trans-101.2152.317062.20000109.8
233G69.6Low84.1Confident41 Ų4146.4 Ų46.442%0.42328%0.279SS..  trans152.6-9.8-177.700000113.6R260G233-R260 PolarHBondContact O-NE 3.18Å; G233-R260 PolarHBondContact O-NH2 3.09Å
234Q84.6Confident85Confident8 Ų839.6 Ų39.64%0.03725%0.247CC..  trans-83.1137.7166.9-48.5-154.525.200109.8R214 I238 T252 S254 W262R214-Q234 HydrophobicContact CB-CB 4.3Å; Q234-I238 HydrophobicContact CG-CD1 4.45Å; Q234-I238 HydrophobicContact CG-CG1 4.48Å; Q234-T252 PolarHBondContact NE2-OG1 2.87Å; Q234-S254 VanDerWaalsContact OE1-CB 3.26Å; Q234-W262 HydrophobicContact CG-CH2 4.3Å; Q234-W262 HydrophobicContact CG-CZ2 3.71Å
235N90.5Very high86Confident116 Ų11640.2 Ų40.262%0.6224%0.24SC*.SBendtrans-87.3-16-179.5-66.2-45.6000111.9R214 D256R214-N235 VanDerWaalsContact CD-O 3.28Å; R214-N235 WeakPolarHBondContact CD-O 3.03Å; R214-N235 PolarHBondContact NH1-O 3.4Å; N235-D256 HydrophobicContact CB-CB 4.01Å; N235-D256 WeakPolarHBondContact CB-OD2 3.31Å; N235-D256 PolarHBondContact N-OD2 2.84Å
236S96Very high86.5Confident34 Ų3440.1 Ų40.124%0.23824%0.238CC..SBendtrans-144.8-173.9179.8-158.30000111.8R214 S254 T255R214-S236 WeakPolarHBondContact CB-O 3.49Å; R214-S236 VanDerWaalsContact CG-O 3.3Å; R214-S236 WeakPolarHBondContact CG-O 3.45Å; S236-S254 PolarHBondContact O-OG 2.96Å; S236-T255 WeakPolarHBondContact CB-OG1 2.93Å; S236-T255 PolarHBondContact OG-OG1 2.85Å
237W96.9Very high86.6Confident94 Ų9435.3 Ų35.336%0.35622%0.223SC..  trans-56139.2-173.3-53.1-17.2000111.8E212 S254 T255E212-W237 HydrophobicContact CB-CD2 4.44Å; E212-W237 HydrophobicContact CB-CG 4.08Å; E212-W237 HydrophobicContact CG-CB 4.47Å; E212-W237 HydrophobicContact CG-CD2 3.97Å; E212-W237 HydrophobicContact CG-CE3 4.49Å; E212-W237 HydrophobicContact CG-CG 3.96Å; E212-W237 VanDerWaalsContact O-CD1 3.28Å; W237-S254 VanDerWaalsContact O-CA 3.23Å; W237-S254 WeakPolarHBondContact O-CA 3.34Å; W237-S254 WeakPolarHBondContact O-CB 3.44Å; W237-S254 PolarHBondContact O-OG 3.14Å; W237-T255 HydrophobicContact CB-CG2 4.4Å; W237-T255 HydrophobicContact CE3-CG2 4.29Å; W237-T255 PolarHBondContact N-OG1 3.12Å; W237-T255 VanDerWaalsContact N-OG1 3.16Å; W237-T255 PolarHBondContact O-N 2.86Å; W237-T255 VanDerWaalsContact O-N 3.15Å
238I97.6Very high87.1Confident0 Ų036.9 Ų36.90%022%0.223CC..EExtended strand (participates in β ladder)trans-76.8127.3165.8-47.1-161.7000107.7T197 A211 F215 L216 Q234 V241 T252T197-I238 HydrophobicContact CG2-CG2 3.98Å; A211-I238 PolarHBondContact O-N 3.41Å; F215-I238 WeakPolarHBondContact O-CD1 3.38Å; L216-I238 HydrophobicContact CB-CD1 3.94Å; Q234-I238 HydrophobicContact CG-CD1 4.45Å; Q234-I238 HydrophobicContact CG-CG1 4.48Å; I238-V241 HydrophobicContact CG2-CG2 3.94Å; I238-T252 HydrophobicContact CG2-CG2 4.39Å
239T97.2Very high87.9Confident16 Ų1636.7 Ų36.710%0.09822%0.219CC..EExtended strand (participates in β ladder)trans-103.9-37.9-17651.60000112.2S253 S254 T255 V280 W281T239-S253 PolarHBondContact N-O 3.03Å; T239-S253 VanDerWaalsContact OG1-C 3.23Å; T239-S253 WeakPolarHBondContact OG1-CB 3.25Å; T239-S253 PolarHBondContact OG1-O 2.69Å; T239-S253 PolarHBondContact OG1-OG 3.08Å; T239-S254 PolarHBondContact OG1-N 2.93Å; T239-T255 HydrophobicContact CG2-CG2 3.6Å; T239-V280 WeakPolarHBondContact CB-O 3.44Å; T239-V280 PolarHBondContact OG1-O 3.07Å; T239-W281 WeakPolarHBondContact CB-O 3.4Å; T239-W281 HydrophobicContact CG2-CE3 3.74Å; T239-W281 HydrophobicContact CG2-CZ3 3.98Å; T239-W281 PolarHBondContact OG1-O 2.82Å
240S97.5Very high88.6Confident10 Ų1036.1 Ų36.17%0.0722%0.216CC..EExtended strand (participates in β ladder)trans-147.3153.3176.2-1750000111.5T252 S253 D282 I283S240-T252 VanDerWaalsContact O-CA 3.26Å; S240-T252 WeakPolarHBondContact O-CA 3.46Å; S240-S253 VanDerWaalsContact CB-OG 3.27Å; S240-S253 WeakPolarHBondContact CB-OG 3.47Å; S240-S253 PolarHBondContact N-OG 2.97Å; S240-S253 VanDerWaalsContact N-OG 3.1Å; S240-S253 PolarHBondContact O-N 2.6Å; S240-D282 WeakPolarHBondContact CB-OD1 3.3Å; S240-D282 PolarHBondContact OG-OD1 2.8Å; S240-I283 WeakPolarHBondContact OG-CG1 3.26Å
241V96.7Very high89.2Confident8 Ų832.9 Ų32.95%0.04819%0.194CC..EExtended strand (participates in β ladder)trans-133.4133.9-177.9172.30000107.7T197 E199 F208 L216 I238 I250 V251 T252T197-V241 HydrophobicContact CG2-CB 4.15Å; T197-V241 HydrophobicContact CG2-CG2 3.51Å; T197-V241 PolarHBondContact OG1-N 2.87Å; E199-V241 HydrophobicContact CB-CG1 4.06Å; F208-V241 HydrophobicContact CB-CG1 3.84Å; L216-V241 HydrophobicContact CD1-CG1 4.45Å; L216-V241 HydrophobicContact CD1-CG2 4.13Å; I238-V241 HydrophobicContact CG2-CG2 3.94Å; V241-I250 HydrophobicContact CG1-CG2 3.7Å; V241-V251 CarbonylContact C-O 3.54Å; V241-V251 WeakPolarHBondContact CA-O 3.44Å; V241-T252 HydrophobicContact CG2-CG2 3.99Å
242A95.5Very high89.9Confident9 Ų932.2 Ų32.27%0.07419%0.19CC..EExtended strand (participates in β ladder)trans-131.4126.9172.400000110.2V251 I283 L285A242-V251 HydrophobicContact CB-CB 4.45Å; A242-V251 PolarHBondContact N-O 3.16Å; A242-V251 PolarHBondContact O-N 3.31Å; A242-I283 HydrophobicContact CB-CD1 3.86Å; A242-I283 HydrophobicContact CB-CG1 4.38Å; A242-L285 HydrophobicContact CB-CD1 3.92Å; A242-L285 HydrophobicContact CB-CG 4.1Å
243A92.2Very high91Very high17 Ų1728.3 Ų28.314%0.1416%0.162CC..EExtended strand (participates in β ladder)trans-84.4127.8176.200000110.4E199 F208 L285E199-A243 HydrophobicContact CG-CB 3.91Å; F208-A243 HydrophobicContact CD2-CB 3.84Å; F208-A243 HydrophobicContact CE2-CB 3.71Å; A243-L285 WeakPolarHBondContact O-CD1 3.4Å
244M91.7Very high92.3Very high5 Ų526.3 Ų26.33%0.02514%0.142CC..  trans-75.9145.7173.9-61-57.6-67.800110.6D246 A247 H249 V251 L285 A289 L309M244-D246 WeakPolarHBondContact CB-OD1 3.27Å; M244-D246 PolarHBondContact O-N 2.88Å; M244-D246 VanDerWaalsContact O-N 3.09Å; M244-A247 PolarHBondContact O-N 3.31Å; M244-H249 HydrophobicContact CB-CB 4.01Å; M244-H249 VanDerWaalsContact CB-O 3.24Å; M244-H249 WeakPolarHBondContact CB-O 3.46Å; M244-H249 HydrophobicContact CG-CB 3.69Å; M244-H249 WeakPolarHBondContact CG-O 3.25Å; M244-H249 PolarHBondContact N-O 3.38Å; M244-V251 HydrophobicContact CG-CG2 4.23Å; M244-V251 HydrophobicContact SD-CG2 3.82Å; M244-L285 HydrophobicContact CE-CD2 4.15Å; M244-L285 HydrophobicContact SD-CD1 3.59Å; M244-L285 VanDerWaalsContact SD-CD1 3.59Å; M244-L285 HydrophobicContact SD-CD2 3.65Å; M244-L285 HydrophobicContact SD-CG 4.26Å; M244-A289 HydrophobicContact CE-CB 4.1Å; M244-A289 WeakPolarHBondContact CE-O 3.18Å; M244-L309 HydrophobicContact CE-CB 3.76Å; M244-L309 HydrophobicContact CE-CD1 4.39Å
245P85.6Confident92.9Very high72 Ų7227.4 Ų27.447%0.46815%0.149SC..THydrogen-bonded Turntrans-62.8-17.9-179.7-23.833.7000114.6A247 A289P245-A247 PolarHBondContact O-N 2.9Å; P245-A289 HydrophobicContact CG-CB 3.44Å; P245-A289 VanDerWaalsContact CG-CB 3.44Å
246D82.6Confident93.1Very high17 Ų1723.3 Ų23.39%0.09113%0.127CC..THydrogen-bonded Turntrans-72.8-0.2178.277.9-15.1000114M244 R248 H249 L309M244-D246 WeakPolarHBondContact CB-OD1 3.27Å; M244-D246 PolarHBondContact O-N 2.88Å; M244-D246 VanDerWaalsContact O-N 3.09Å; D246-R248 PolarHBondContact O-N 3.39Å; D246-R248 PolarHBondContact OD1-N 3.1Å; D246-H249 PolarHBondContact OD1-N 3Å; D246-H249 IonicContact OD1-ND1 3.95Å; D246-H249 IonicContact OD2-CE1 3.76Å; D246-H249 PolarHBondContact OD2-CE1 2.95Å; D246-H249 IonicContact OD2-CG 2.74Å; D246-H249 IonicContact OD2-ND1 3.31Å; D246-H249 PolarHBondContact OD2-ND1 3.29Å; D246-L309 VanDerWaalsContact CB-O 3.23Å; D246-L309 WeakPolarHBondContact CB-O 3.49Å; D246-L309 VanDerWaalsContact OD2-O 3.11Å
247A77.1Confident93.2Very high32 Ų3222.5 Ų22.526%0.26412%0.122SC..SBendtrans60.310.5-179.100000113.2M244 P245 I319M244-A247 PolarHBondContact O-N 3.31Å; P245-A247 PolarHBondContact O-N 2.9Å; A247-I319 HydrophobicContact CB-CD1 3.8Å; A247-I319 HydrophobicContact CB-CG1 4.1Å; A247-I319 WeakPolarHBondContact O-CD1 3.31Å; A247-I319 WeakPolarHBondContact O-CG1 3.42Å
248R82.6Confident93.1Very high95 Ų9519.7 Ų19.736%0.35811%0.114SC..SBendtrans-118.3-34.1-174.7177.7177.9175.1-164.6-7.1112.2D246 D263 V264D246-R248 PolarHBondContact O-N 3.39Å; D246-R248 PolarHBondContact OD1-N 3.1Å; R248-D263 IonicContact CZ-OD2 3.36Å; R248-D263 IonicContact NE-OD1 3.05Å; R248-D263 IonicContact NE-OD2 2.77Å; R248-D263 PolarHBondContact NE-OD2 3.3Å; R248-D263 VanDerWaalsContact NE-OD2 3.09Å; R248-D263 IonicContact NH2-OD2 3.65Å; R248-D263 PolarHBondContact NH2-OD2 2.92Å; R248-V264 WeakPolarHBondContact O-CB 3.22Å; R248-V264 VanDerWaalsContact O-CG2 3.26Å; R248-V264 WeakPolarHBondContact O-CG2 3.45Å; R248-V264 PolarHBondContact O-N 2.83Å
249H90.7Very high93.1Very high20 Ų2019.8 Ų19.89%0.09312%0.115CC..EExtended strand (participates in β ladder)trans-106.5142.7-176.5-6193.2000112M244 D246 I261 W262 L309M244-H249 HydrophobicContact CB-CB 4.01Å; M244-H249 VanDerWaalsContact CB-O 3.24Å; M244-H249 WeakPolarHBondContact CB-O 3.46Å; M244-H249 HydrophobicContact CG-CB 3.69Å; M244-H249 WeakPolarHBondContact CG-O 3.25Å; M244-H249 PolarHBondContact N-O 3.38Å; D246-H249 PolarHBondContact OD1-N 3Å; D246-H249 IonicContact OD1-ND1 3.95Å; D246-H249 IonicContact OD2-CE1 3.76Å; D246-H249 PolarHBondContact OD2-CE1 2.95Å; D246-H249 IonicContact OD2-CG 2.74Å; D246-H249 IonicContact OD2-ND1 3.31Å; D246-H249 PolarHBondContact OD2-ND1 3.29Å; H249-I261 HydrophobicContact CB-CG2 4.14Å; H249-W262 VanDerWaalsContact CA-O 3.25Å; H249-W262 WeakPolarHBondContact CA-O 3.37Å; H249-L309 HydrophobicContact CB-CD1 4.5Å
250I94Very high93Very high0 Ų019.6 Ų19.60%011%0.112CC..EExtended strand (participates in β ladder)trans-124.7135.9171-55.2159.7000107F208 L216 V241 T252 I261 W262 V264F208-I250 HydrophobicContact CB-CD1 4.31Å; F208-I250 HydrophobicContact CD1-CD1 3.16Å; F208-I250 HydrophobicContact CD1-CG1 3.95Å; F208-I250 HydrophobicContact CD2-CD1 4.28Å; F208-I250 HydrophobicContact CD2-CG1 4.2Å; F208-I250 HydrophobicContact CE1-CD1 3.35Å; F208-I250 HydrophobicContact CE1-CG1 3.94Å; F208-I250 HydrophobicContact CE2-CD1 4.41Å; F208-I250 HydrophobicContact CE2-CG1 4.19Å; F208-I250 HydrophobicContact CG-CD1 3.65Å; F208-I250 HydrophobicContact CG-CG1 4.05Å; F208-I250 HydrophobicContact CZ-CD1 3.98Å; F208-I250 HydrophobicContact CZ-CG1 4.04Å; L216-I250 HydrophobicContact CD1-CG2 4.41Å; L216-I250 HydrophobicContact CD2-CB 4.27Å; L216-I250 HydrophobicContact CD2-CD1 3.87Å; L216-I250 HydrophobicContact CD2-CG2 4.07Å; V241-I250 HydrophobicContact CG1-CG2 3.7Å; I250-T252 HydrophobicContact CG2-CG2 4.19Å; I250-I261 CarbonylContact O-C 3.6Å; I250-I261 WeakPolarHBondContact O-CA 3.31Å; I250-W262 HydrophobicContact CB-CB 4.39Å; I250-W262 PolarHBondContact N-O 3.25Å; I250-W262 PolarHBondContact O-N 3.13Å; I250-V264 HydrophobicContact CD1-CG2 3.35Å; I250-V264 HydrophobicContact CG1-CG2 3.65Å
251V96.2Very high92.9Very high0 Ų019.1 Ų19.10%011%0.109CC..EExtended strand (participates in β ladder)trans-102.1139.3171.5-169.50000108.6V241 A242 M244 V259 R260 I261 I283 L292V241-V251 CarbonylContact C-O 3.54Å; V241-V251 WeakPolarHBondContact CA-O 3.44Å; A242-V251 HydrophobicContact CB-CB 4.45Å; A242-V251 PolarHBondContact N-O 3.16Å; A242-V251 PolarHBondContact O-N 3.31Å; M244-V251 HydrophobicContact CG-CG2 4.23Å; M244-V251 HydrophobicContact SD-CG2 3.82Å; V251-V259 HydrophobicContact CG1-CG1 3.47Å; V251-V259 VanDerWaalsContact CG1-CG1 3.47Å; V251-R260 CarbonylContact C-O 3.51Å; V251-R260 WeakPolarHBondContact CA-O 3.4Å; V251-I261 HydrophobicContact CG2-CG1 4.31Å; V251-I283 HydrophobicContact CB-CD1 3.86Å; V251-I283 HydrophobicContact CG1-CD1 3.68Å; V251-I283 WeakPolarHBondContact O-CD1 3.32Å; V251-L292 HydrophobicContact CB-CD1 4.49Å; V251-L292 HydrophobicContact CG1-CD1 4.05Å; V251-L292 HydrophobicContact CG1-CD2 3.66Å
252T97.6Very high92.7Very high0 Ų019 Ų190%011%0.107CC..EExtended strand (participates in β ladder)trans-135.2140.8174.462.80000111.3L216 Q234 I238 S240 V241 I250 V259 R260 W262L216-T252 HydrophobicContact CD1-CG2 4.09Å; L216-T252 HydrophobicContact CD2-CG2 4Å; Q234-T252 PolarHBondContact NE2-OG1 2.87Å; I238-T252 HydrophobicContact CG2-CG2 4.39Å; S240-T252 VanDerWaalsContact O-CA 3.26Å; S240-T252 WeakPolarHBondContact O-CA 3.46Å; V241-T252 HydrophobicContact CG2-CG2 3.99Å; I250-T252 HydrophobicContact CG2-CG2 4.19Å; T252-V259 CarbonylContact O-C 3.56Å; T252-V259 WeakPolarHBondContact O-CA 3.32Å; T252-R260 PolarHBondContact N-O 2.72Å; T252-R260 PolarHBondContact O-N 2.87Å; T252-W262 PolarHBondContact OG1-NE1 3.17Å
253S97.7Very high92.4Very high0 Ų018.8 Ų18.80%011%0.105CC..EExtended strand (participates in β ladder)trans-101157.8166.655.60000111.9T239 S240T239-S253 PolarHBondContact N-O 3.03Å; T239-S253 VanDerWaalsContact OG1-C 3.23Å; T239-S253 WeakPolarHBondContact OG1-CB 3.25Å; T239-S253 PolarHBondContact OG1-O 2.69Å; T239-S253 PolarHBondContact OG1-OG 3.08Å; S240-S253 VanDerWaalsContact CB-OG 3.27Å; S240-S253 WeakPolarHBondContact CB-OG 3.47Å; S240-S253 PolarHBondContact N-OG 2.97Å; S240-S253 VanDerWaalsContact N-OG 3.1Å; S240-S253 PolarHBondContact O-N 2.6Å
254S97.2Very high91.9Very high0 Ų018 Ų180%010%0.099CC..EExtended strand (participates in β ladder)trans-146.4155.2-178-174.40000113Q234 S236 W237 T239 D256 A257 I258 V280Q234-S254 VanDerWaalsContact OE1-CB 3.26Å; S236-S254 PolarHBondContact O-OG 2.96Å; W237-S254 VanDerWaalsContact O-CA 3.23Å; W237-S254 WeakPolarHBondContact O-CA 3.34Å; W237-S254 WeakPolarHBondContact O-CB 3.44Å; W237-S254 PolarHBondContact O-OG 3.14Å; T239-S254 PolarHBondContact OG1-N 2.93Å; S254-D256 WeakPolarHBondContact CB-OD1 3.21Å; S254-D256 PolarHBondContact O-N 3.14Å; S254-D256 PolarHBondContact OG-N 2.91Å; S254-D256 PolarHBondContact OG-OD1 3.2Å; S254-A257 PolarHBondContact O-N 3.13Å; S254-I258 PolarHBondContact N-O 3.17Å; S254-V280 CarbonylContact C-O 3.47Å; S254-V280 PolarHBondContact O-N 3.06Å
255T97.2Very high91.2Very high31 Ų3122 Ų2219%0.1911%0.114CC..THydrogen-bonded Turntrans-66.1-6.7167.951.10000113.7S236 W237 T239 A257 A279 W281S236-T255 WeakPolarHBondContact CB-OG1 2.93Å; S236-T255 PolarHBondContact OG-OG1 2.85Å; W237-T255 HydrophobicContact CB-CG2 4.4Å; W237-T255 HydrophobicContact CE3-CG2 4.29Å; W237-T255 PolarHBondContact N-OG1 3.12Å; W237-T255 VanDerWaalsContact N-OG1 3.16Å; W237-T255 PolarHBondContact O-N 2.86Å; W237-T255 VanDerWaalsContact O-N 3.15Å; T239-T255 HydrophobicContact CG2-CG2 3.6Å; T255-A257 PolarHBondContact O-N 2.89Å; T255-A279 HydrophobicContact CG2-CB 4.06Å; T255-W281 HydrophobicContact CG2-CH2 3.95Å; T255-W281 HydrophobicContact CG2-CZ2 4.5Å; T255-W281 HydrophobicContact CG2-CZ3 3.99Å
256D96.1Very high91.1Very high30 Ų3022.1 Ų22.116%0.1611%0.11CC..THydrogen-bonded Turntrans-82.214170.373.35.1000114.4N235 S254 I258 R260N235-D256 HydrophobicContact CB-CB 4.01Å; N235-D256 WeakPolarHBondContact CB-OD2 3.31Å; N235-D256 PolarHBondContact N-OD2 2.84Å; S254-D256 WeakPolarHBondContact CB-OD1 3.21Å; S254-D256 PolarHBondContact O-N 3.14Å; S254-D256 PolarHBondContact OG-N 2.91Å; S254-D256 PolarHBondContact OG-OD1 3.2Å; D256-I258 PolarHBondContact O-N 3.24Å; D256-I258 WeakPolarHBondContact OD1-CB 3.46Å; D256-I258 PolarHBondContact OD1-N 2.85Å; D256-R260 IonicContact OD1-CZ 2.67Å; D256-R260 IonicContact OD1-NH1 3.69Å; D256-R260 PolarHBondContact OD1-NH1 2.52Å; D256-R260 IonicContact OD1-NH2 2.65Å; D256-R260 IonicContact OD2-CZ 3.54Å; D256-R260 VanDerWaalsContact OD2-CZ 3.3Å; D256-R260 IonicContact OD2-NH1 3.41Å; D256-R260 PolarHBondContact OD2-NH1 3.47Å; D256-R260 IonicContact OD2-NH2 3.73Å; D256-R260 PolarHBondContact OD2-NH2 2.64Å
257A96.6Very high91.3Very high16 Ų1625.8 Ų25.813%0.13212%0.123CC..SBendtrans66.915.8179.600000115S254 T255 R276 S278S254-A257 PolarHBondContact O-N 3.13Å; T255-A257 PolarHBondContact O-N 2.89Å; A257-R276 HydrophobicContact CB-CB 4.35Å; A257-R276 WeakPolarHBondContact O-CB 3.44Å; A257-S278 VanDerWaalsContact CA-O 3.24Å; A257-S278 WeakPolarHBondContact CA-O 3.37Å; A257-S278 WeakPolarHBondContact CB-O 3.48Å
258I95.9Very high91.8Very high35 Ų3531.6 Ų31.618%0.17914%0.138CC..  trans-121.6132.3-175.8-61.7172.3000110.7S254 D256 R260 V272S254-I258 PolarHBondContact N-O 3.17Å; D256-I258 PolarHBondContact O-N 3.24Å; D256-I258 WeakPolarHBondContact OD1-CB 3.46Å; D256-I258 PolarHBondContact OD1-N 2.85Å; I258-R260 HydrophobicContact CG2-CG 3.82Å; I258-V272 HydrophobicContact CG2-CG1 3.19Å
259V97Very high92.3Very high2 Ų229.2 Ų29.21%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-94.1132.7164.4179.30000108.7V251 T252 L273 V280 I283 L292V251-V259 HydrophobicContact CG1-CG1 3.47Å; V251-V259 VanDerWaalsContact CG1-CG1 3.47Å; T252-V259 CarbonylContact O-C 3.56Å; T252-V259 WeakPolarHBondContact O-CA 3.32Å; V259-L273 HydrophobicContact CB-CB 4.12Å; V259-L273 HydrophobicContact CB-CD1 4.16Å; V259-L273 HydrophobicContact CB-CG 4.37Å; V259-L273 HydrophobicContact CG1-CD1 3.84Å; V259-L273 HydrophobicContact CG1-CG 4.39Å; V259-L273 PolarHBondContact O-N 3.11Å; V259-V280 HydrophobicContact CG2-CB 4.37Å; V259-V280 HydrophobicContact CG2-CG1 3.79Å; V259-V280 HydrophobicContact CG2-CG2 4.22Å; V259-I283 HydrophobicContact CG1-CG2 4.4Å; V259-I283 HydrophobicContact CG2-CG2 4.24Å; V259-L292 HydrophobicContact CG1-CD2 4.2Å
260R95.9Very high92.3Very high13 Ų1330.8 Ų30.85%0.04915%0.148CC..EExtended strand (participates in β ladder)trans-120.9146.2-177.3-66.1177.217975.4-2.8111G233 V251 T252 D256 I258 W262G233-R260 PolarHBondContact O-NE 3.18Å; G233-R260 PolarHBondContact O-NH2 3.09Å; V251-R260 CarbonylContact C-O 3.51Å; V251-R260 WeakPolarHBondContact CA-O 3.4Å; T252-R260 PolarHBondContact N-O 2.72Å; T252-R260 PolarHBondContact O-N 2.87Å; D256-R260 IonicContact OD1-CZ 2.67Å; D256-R260 IonicContact OD1-NH1 3.69Å; D256-R260 PolarHBondContact OD1-NH1 2.52Å; D256-R260 IonicContact OD1-NH2 2.65Å; D256-R260 IonicContact OD2-CZ 3.54Å; D256-R260 VanDerWaalsContact OD2-CZ 3.3Å; D256-R260 IonicContact OD2-NH1 3.41Å; D256-R260 PolarHBondContact OD2-NH1 3.47Å; D256-R260 IonicContact OD2-NH2 3.73Å; D256-R260 PolarHBondContact OD2-NH2 2.64Å; I258-R260 HydrophobicContact CG2-CG 3.82Å; R260-W262 HydrophobicContact CB-CZ2 4.06Å; R260-W262 VanDerWaalsContact CD-CZ2 3.43Å; R260-W262 HydrophobicContact CG-CZ2 4.4Å
261I95.2Very high92.2Very high0 Ų031.6 Ų31.60%015%0.153CC..EExtended strand (participates in β ladder)trans-110.5127.5170.3-58.1161.4000107.4V6 H249 I250 V251 C269 S270 D271 L273 L309V6-I261 HydrophobicContact CB-CD1 3.84Å; V6-I261 HydrophobicContact CG1-CD1 4.26Å; V6-I261 HydrophobicContact CG2-CD1 3.46Å; V6-I261 VanDerWaalsContact CG2-CD1 3.46Å; H249-I261 HydrophobicContact CB-CG2 4.14Å; I250-I261 CarbonylContact O-C 3.6Å; I250-I261 WeakPolarHBondContact O-CA 3.31Å; V251-I261 HydrophobicContact CG2-CG1 4.31Å; I261-C269 CarbonylContact O-C 3.5Å; I261-C269 WeakPolarHBondContact O-CA 3.45Å; I261-S270 PolarHBondContact O-N 3.33Å; I261-S270 PolarHBondContact O-OG 2.71Å; I261-D271 HydrophobicContact CB-CB 3.87Å; I261-D271 HydrophobicContact CD1-CB 3.86Å; I261-D271 HydrophobicContact CG1-CB 4.3Å; I261-D271 PolarHBondContact N-O 3.06Å; I261-D271 PolarHBondContact O-N 3.48Å; I261-L273 HydrophobicContact CD1-CD2 4.16Å; I261-L273 HydrophobicContact CD1-CG 4.45Å; I261-L309 HydrophobicContact CD1-CD1 3.98Å; I261-L309 HydrophobicContact CG1-CD1 4.48Å; I261-L309 HydrophobicContact CG2-CD1 3.9Å
262W92.8Very high92.1Very high5 Ų533.7 Ų33.72%0.01917%0.165CC..EExtended strand (participates in β ladder)trans-111.7133.5-177-55.889.5000109.9L216 V231 Q234 H249 I250 T252 R260 C269L216-W262 HydrophobicContact CD2-CB 4.06Å; L216-W262 HydrophobicContact CD2-CD2 4.1Å; L216-W262 HydrophobicContact CD2-CG 3.63Å; V231-W262 HydrophobicContact CB-CE3 4.01Å; V231-W262 HydrophobicContact CB-CZ3 3.89Å; V231-W262 HydrophobicContact CG1-CE3 3.7Å; V231-W262 HydrophobicContact CG1-CH2 4.33Å; V231-W262 HydrophobicContact CG1-CZ3 3.34Å; Q234-W262 HydrophobicContact CG-CH2 4.3Å; Q234-W262 HydrophobicContact CG-CZ2 3.71Å; H249-W262 VanDerWaalsContact CA-O 3.25Å; H249-W262 WeakPolarHBondContact CA-O 3.37Å; I250-W262 HydrophobicContact CB-CB 4.39Å; I250-W262 PolarHBondContact N-O 3.25Å; I250-W262 PolarHBondContact O-N 3.13Å; T252-W262 PolarHBondContact OG1-NE1 3.17Å; R260-W262 HydrophobicContact CB-CZ2 4.06Å; R260-W262 VanDerWaalsContact CD-CZ2 3.43Å; R260-W262 HydrophobicContact CG-CZ2 4.4Å; W262-C269 HydrophobicContact CD2-CB 4.41Å; W262-C269 HydrophobicContact CE3-CB 3.79Å; W262-C269 HydrophobicContact CH2-CB 4.16Å; W262-C269 HydrophobicContact CZ3-CB 3.63Å
263D87.9Confident92Very high4 Ų434 Ų342%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-92.8108.2169.3-176.7-34000108.5R248 R265 N266 R267 R268R248-D263 IonicContact CZ-OD2 3.36Å; R248-D263 IonicContact NE-OD1 3.05Å; R248-D263 IonicContact NE-OD2 2.77Å; R248-D263 PolarHBondContact NE-OD2 3.3Å; R248-D263 VanDerWaalsContact NE-OD2 3.09Å; R248-D263 IonicContact NH2-OD2 3.65Å; R248-D263 PolarHBondContact NH2-OD2 2.92Å; D263-R265 VanDerWaalsContact C-N 3.27Å; D263-R265 PolarHBondContact O-N 3.18Å; D263-R265 WeakPolarHBondContact OD1-CA 3.19Å; D263-R265 WeakPolarHBondContact OD1-CB 3.46Å; D263-R265 PolarHBondContact OD1-N 2.92Å; D263-N266 HydrophobicContact CB-CB 4.29Å; D263-N266 VanDerWaalsContact CG-ND2 3.34Å; D263-N266 CarbonylContact O-C 3.59Å; D263-N266 PolarHBondContact O-N 2.77Å; D263-N266 PolarHBondContact OD1-N 2.78Å; D263-N266 PolarHBondContact OD2-ND2 3.22Å; D263-R267 WeakPolarHBondContact O-CA 3.4Å; D263-R267 PolarHBondContact O-N 3.26Å; D263-R268 PolarHBondContact N-O 3Å; D263-R268 PolarHBondContact O-N 3.02Å
264V81.3Confident91.4Very high2 Ų240.6 Ų40.61%0.01220%0.198CC..THydrogen-bonded Turntrans-58.6-39.3-179.9174.20000111.3F208 F229 R248 I250 R267 I323F208-V264 HydrophobicContact CE1-CG2 4.19Å; F229-V264 HydrophobicContact CE1-CB 4.47Å; F229-V264 HydrophobicContact CE1-CG1 3.6Å; F229-V264 HydrophobicContact CZ-CB 4.1Å; F229-V264 HydrophobicContact CZ-CG1 3.68Å; F229-V264 HydrophobicContact CZ-CG2 4.19Å; R248-V264 WeakPolarHBondContact O-CB 3.22Å; R248-V264 VanDerWaalsContact O-CG2 3.26Å; R248-V264 WeakPolarHBondContact O-CG2 3.45Å; R248-V264 PolarHBondContact O-N 2.83Å; I250-V264 HydrophobicContact CD1-CG2 3.35Å; I250-V264 HydrophobicContact CG1-CG2 3.65Å; V264-R267 PolarHBondContact O-N 3.18Å; V264-I323 HydrophobicContact CG1-CD1 4.29Å; V264-I323 HydrophobicContact CG1-CG1 4.38Å
265R78.3Confident90.9Very high89 Ų8943 Ų4334%0.33622%0.223SC..THydrogen-bonded Turntrans-61.2-50.5179.4-171.5176.6-173.8148.65.8111.3D263 R267 V322 S325D263-R265 VanDerWaalsContact C-N 3.27Å; D263-R265 PolarHBondContact O-N 3.18Å; D263-R265 WeakPolarHBondContact OD1-CA 3.19Å; D263-R265 WeakPolarHBondContact OD1-CB 3.46Å; D263-R265 PolarHBondContact OD1-N 2.92Å; R265-R267 VanDerWaalsContact C-N 3.31Å; R265-V322 HydrophobicContact CB-CG1 3.2Å; R265-V322 HydrophobicContact CG-CG1 3.34Å; R265-S325 PolarHBondContact NH2-OG 2.73Å
266N82.9Confident90.6Very high73 Ų7342.7 Ų42.739%0.3922%0.219SC..THydrogen-bonded Turntrans-91.1-0.9-172.5-65.9-52.8000112.1D263 R268D263-N266 HydrophobicContact CB-CB 4.29Å; D263-N266 VanDerWaalsContact CG-ND2 3.34Å; D263-N266 CarbonylContact O-C 3.59Å; D263-N266 PolarHBondContact O-N 2.77Å; D263-N266 PolarHBondContact OD1-N 2.78Å; D263-N266 PolarHBondContact OD2-ND2 3.22Å; N266-R268 HydrophobicContact CB-CG 3.87Å; N266-R268 PolarHBondContact O-N 3.24Å
267R86.5Confident90.5Very high95 Ų9550.6 Ų50.636%0.35825%0.251SS..THydrogen-bonded Turntrans49.142.4179.2-57.3178.5177.9-158.7-8.4112.3S228 F229 V231 D263 V264 R265S228-R267 PolarHBondContact O-NH2 3.37Å; S228-R267 VanDerWaalsContact O-NH2 3.12Å; F229-R267 HydrophobicContact CB-CG 4.26Å; F229-R267 HydrophobicContact CD1-CG 4.34Å; F229-R267 HydrophobicContact CD2-CB 4.3Å; F229-R267 HydrophobicContact CD2-CG 3.98Å; F229-R267 HydrophobicContact CE2-CG 4.42Å; F229-R267 HydrophobicContact CG-CG 3.94Å; V231-R267 WeakPolarHBondContact CG1-O 3.32Å; V231-R267 HydrophobicContact CG2-CB 4.42Å; D263-R267 WeakPolarHBondContact O-CA 3.4Å; D263-R267 PolarHBondContact O-N 3.26Å; V264-R267 PolarHBondContact O-N 3.18Å; R265-R267 VanDerWaalsContact C-N 3.31Å
268R88.5Confident90.5Very high153 Ų15350.6 Ų50.658%0.57725%0.25SS*.EExtended strand (participates in β ladder)trans-143.6155.1-175.669.4-178.1-177.4171.61.2111.8D263 N266 S270D263-R268 PolarHBondContact N-O 3Å; D263-R268 PolarHBondContact O-N 3.02Å; N266-R268 HydrophobicContact CB-CG 3.87Å; N266-R268 PolarHBondContact O-N 3.24Å; R268-S270 PolarHBondContact O-N 3.27Å
269C92Very high90.5Very high45 Ų4549.4 Ų49.430%0.30425%0.246SC..EExtended strand (participates in β ladder)trans-65.5117.1165.8-175.20000108.1I261 W262 D271I261-C269 CarbonylContact O-C 3.5Å; I261-C269 WeakPolarHBondContact O-CA 3.45Å; W262-C269 HydrophobicContact CD2-CB 4.41Å; W262-C269 HydrophobicContact CE3-CB 3.79Å; W262-C269 HydrophobicContact CH2-CB 4.16Å; W262-C269 HydrophobicContact CZ3-CB 3.63Å; C269-D271 PolarHBondContact SG-O 3.35Å
270S91.3Very high90.6Very high53 Ų5349.3 Ų49.337%0.37125%0.245SC..EExtended strand (participates in β ladder)trans-88.8-26.4176.254.10000111.7I261 R268I261-S270 PolarHBondContact O-N 3.33Å; I261-S270 PolarHBondContact O-OG 2.71Å; R268-S270 PolarHBondContact O-N 3.27Å
271D92.9Very high90.6Very high17 Ų1751.6 Ų51.69%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-156157.3-176.1-141.1-22.6000113.7S4 S5 I261 C269S4-D271 WeakPolarHBondContact CA-OD1 3.42Å; S4-D271 WeakPolarHBondContact CA-OD2 2.94Å; S4-D271 VanDerWaalsContact CB-OD1 3.28Å; S4-D271 WeakPolarHBondContact CB-OD1 3.04Å; S4-D271 PolarHBondContact OG-OD1 3.37Å; S4-D271 PolarHBondContact OG-OD2 2.72Å; S4-D271 VanDerWaalsContact OG-OD2 3.1Å; S5-D271 WeakPolarHBondContact CA-OD2 3.43Å; S5-D271 WeakPolarHBondContact CB-OD2 3.13Å; S5-D271 PolarHBondContact N-OD2 3.38Å; S5-D271 PolarHBondContact OG-OD2 3.38Å; I261-D271 HydrophobicContact CB-CB 3.87Å; I261-D271 HydrophobicContact CD1-CB 3.86Å; I261-D271 HydrophobicContact CG1-CB 4.3Å; I261-D271 PolarHBondContact N-O 3.06Å; I261-D271 PolarHBondContact O-N 3.48Å; C269-D271 PolarHBondContact SG-O 3.35Å
272V93.9Very high90.8Very high44 Ų4452.5 Ų52.527%0.26726%0.259SS..EExtended strand (participates in β ladder)trans-136.5123.3-178.5-173.90000109.3I258 E274I258-V272 HydrophobicContact CG2-CG1 3.19Å; V272-E274 HydrophobicContact CG1-CG 3.79Å
273L94.4Very high91Very high8 Ų852.6 Ų52.64%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-96.398.9175.4-43.5179000108.4S4 V6 V259 I261 L292 H304S4-L273 WeakPolarHBondContact OG-CD2 3.18Å; V6-L273 HydrophobicContact CB-CD2 3.86Å; V6-L273 HydrophobicContact CG1-CD1 4.14Å; V6-L273 HydrophobicContact CG1-CD2 3.66Å; V259-L273 HydrophobicContact CB-CB 4.12Å; V259-L273 HydrophobicContact CB-CD1 4.16Å; V259-L273 HydrophobicContact CB-CG 4.37Å; V259-L273 HydrophobicContact CG1-CD1 3.84Å; V259-L273 HydrophobicContact CG1-CG 4.39Å; V259-L273 PolarHBondContact O-N 3.11Å; I261-L273 HydrophobicContact CD1-CD2 4.16Å; I261-L273 HydrophobicContact CD1-CG 4.45Å; L273-L292 HydrophobicContact CD1-CD2 3.79Å; L273-H304 HydrophobicContact CD1-CB 4.37Å
274E86.5Confident91.5Very high137 Ų13752.9 Ų52.964%0.6426%0.262SS*.  trans-89.8-178.4-179.9-61.3-171.5164.300112.1V272V272-E274 HydrophobicContact CG1-CG 3.79Å
275G85.9Confident92.2Very high52 Ų5253.3 Ų53.354%0.53626%0.264SS..  trans102.82.4174.200000115.3K300G275-K300 PolarHBondContact O-NZ 2.92Å; G275-K300 VanDerWaalsContact O-NZ 3.14Å
276R91.8Very high93Very high24 Ų2449.4 Ų49.49%0.09125%0.25CS..  trans-93.7157.8167.3-66.2-174.2176.7-92.65.9111.4A257 S294 D296 K300 M302A257-R276 HydrophobicContact CB-CB 4.35Å; A257-R276 WeakPolarHBondContact O-CB 3.44Å; R276-S294 VanDerWaalsContact NH2-CB 3.34Å; R276-S294 PolarHBondContact NH2-O 3.49Å; R276-S294 PolarHBondContact NH2-OG 2.84Å; R276-D296 IonicContact CZ-OD2 3.33Å; R276-D296 IonicContact NH1-OD1 3.09Å; R276-D296 IonicContact NH1-OD2 2.72Å; R276-D296 PolarHBondContact NH1-OD2 2.55Å; R276-K300 PolarHBondContact NH1-O 2.9Å; R276-K300 PolarHBondContact NH2-O 2.69Å; R276-M302 HydrophobicContact CG-SD 3.64Å
277K93.2Very high93.4Very high196 Ų19648.6 Ų48.685%0.85225%0.253SS*.  trans-119.3-6.3-178.1-65.7-177.2-179.1176.60113.1
278S95.7Very high93.6Very high16 Ų1647.8 Ų47.811%0.11226%0.259CS..SBendtrans-142.3166.8-171.558.20000110.3A257 V280 D296 D298A257-S278 VanDerWaalsContact CA-O 3.24Å; A257-S278 WeakPolarHBondContact CA-O 3.37Å; A257-S278 WeakPolarHBondContact CB-O 3.48Å; S278-V280 PolarHBondContact O-N 3.39Å; S278-D296 VanDerWaalsContact OG-CG 3.3Å; S278-D296 PolarHBondContact OG-OD2 3.08Å; S278-D298 WeakPolarHBondContact CB-OD2 3.49Å; S278-D298 PolarHBondContact OG-N 2.98Å; S278-D298 PolarHBondContact OG-OD2 2.86Å
279A96.9Very high93.9Very high10 Ų1040.6 Ų40.68%0.08323%0.233CC..  trans-58.8130-172.800000111.7T255 W281 D296 D297T255-A279 HydrophobicContact CG2-CB 4.06Å; A279-W281 HydrophobicContact CB-CZ2 4.24Å; A279-D296 CarbonylContact O-C 3.57Å; A279-D296 WeakPolarHBondContact O-CA 3.28Å; A279-D296 WeakPolarHBondContact O-CB 3.43Å; A279-D297 HydrophobicContact CB-CB 4.48Å; A279-D297 VanDerWaalsContact CB-OD2 3.3Å; A279-D297 WeakPolarHBondContact CB-OD2 3.44Å; A279-D297 PolarHBondContact O-N 3.02Å
280V97.8Very high94Very high0 Ų040.7 Ų40.70%023%0.23CC..EExtended strand (participates in β ladder)trans-86.9115.7173.1-165.50000107.5T239 S254 V259 S278 V295T239-V280 WeakPolarHBondContact CB-O 3.44Å; T239-V280 PolarHBondContact OG1-O 3.07Å; S254-V280 CarbonylContact C-O 3.47Å; S254-V280 PolarHBondContact O-N 3.06Å; V259-V280 HydrophobicContact CG2-CB 4.37Å; V259-V280 HydrophobicContact CG2-CG1 3.79Å; V259-V280 HydrophobicContact CG2-CG2 4.22Å; S278-V280 PolarHBondContact O-N 3.39Å; V280-V295 WeakPolarHBondContact CA-O 3.5Å; V280-V295 VanDerWaalsContact CG1-O 3.26Å; V280-V295 WeakPolarHBondContact CG1-O 3.4Å
281W97.5Very high94.3Very high60 Ų6039.3 Ų39.323%0.22722%0.216CC..EExtended strand (participates in β ladder)trans-88.6-38.6-175.2-72.2110.7000113L21 T239 T255 A279 V295 D297L21-W281 HydrophobicContact CD2-CB 4.47Å; L21-W281 HydrophobicContact CD2-CD2 3.97Å; L21-W281 HydrophobicContact CD2-CG 3.77Å; L21-W281 WeakPolarHBondContact O-CB 3.41Å; T239-W281 WeakPolarHBondContact CB-O 3.4Å; T239-W281 HydrophobicContact CG2-CE3 3.74Å; T239-W281 HydrophobicContact CG2-CZ3 3.98Å; T239-W281 PolarHBondContact OG1-O 2.82Å; T255-W281 HydrophobicContact CG2-CH2 3.95Å; T255-W281 HydrophobicContact CG2-CZ2 4.5Å; T255-W281 HydrophobicContact CG2-CZ3 3.99Å; A279-W281 HydrophobicContact CB-CZ2 4.24Å; W281-V295 PolarHBondContact N-O 2.89Å; W281-D297 PolarHBondContact NE1-OD1 2.68Å
282D98.1Very high94.5Very high19 Ų1938.5 Ų38.510%0.10221%0.212CC..EExtended strand (participates in β ladder)trans-147.8156.9-174.2-15811.9000112.9L21 S22 T23 S240 S294 V295L21-D282 WeakPolarHBondContact O-CB 3.3Å; S22-D282 VanDerWaalsContact CA-OD2 3.23Å; S22-D282 WeakPolarHBondContact CA-OD2 3.33Å; S22-D282 WeakPolarHBondContact CB-OD2 3.14Å; S22-D282 PolarHBondContact OG-OD2 2.69Å; T23-D282 HydrophobicContact CG2-CB 4.24Å; T23-D282 PolarHBondContact N-OD2 3.39Å; S240-D282 WeakPolarHBondContact CB-OD1 3.3Å; S240-D282 PolarHBondContact OG-OD1 2.8Å; D282-S294 WeakPolarHBondContact O-CA 3.28Å; D282-V295 HydrophobicContact CB-CG2 3.77Å; D282-V295 PolarHBondContact O-N 3.37Å
283I98.2Very high94.7Very high7 Ų736.4 Ų36.44%0.03620%0.199CC..EExtended strand (participates in β ladder)trans-136.214517750.5168.7000109.5S240 A242 V251 V259 L292 V293S240-I283 WeakPolarHBondContact OG-CG1 3.26Å; A242-I283 HydrophobicContact CB-CD1 3.86Å; A242-I283 HydrophobicContact CB-CG1 4.38Å; V251-I283 HydrophobicContact CB-CD1 3.86Å; V251-I283 HydrophobicContact CG1-CD1 3.68Å; V251-I283 WeakPolarHBondContact O-CD1 3.32Å; V259-I283 HydrophobicContact CG1-CG2 4.4Å; V259-I283 HydrophobicContact CG2-CG2 4.24Å; I283-L292 HydrophobicContact CB-CD1 3.99Å; I283-L292 HydrophobicContact CG2-CD1 4.34Å; I283-V293 CarbonylContact C-O 3.59Å; I283-V293 VanDerWaalsContact CA-O 3.24Å; I283-V293 WeakPolarHBondContact CA-O 3.29Å
284S97.8Very high94.9Very high11 Ų1136 Ų368%0.07720%0.197CC..EExtended strand (participates in β ladder)trans-141.8140.5173.4-160.30000111W25 V293W25-S284 PolarHBondContact N-OG 3.4Å; S284-V293 PolarHBondContact N-O 2.84Å; S284-V293 WeakPolarHBondContact O-CG1 3.47Å; S284-V293 PolarHBondContact O-N 2.9Å
285L96.4Very high95.4Very high10 Ų1029.5 Ų29.55%0.05217%0.167CC..EExtended strand (participates in β ladder)trans-93.8138.5172.4-67.8170.1000109.3R77 A242 A243 M244 A289 R291 L292R77-L285 PolarHBondContact NH2-O 3.43Å; A242-L285 HydrophobicContact CB-CD1 3.92Å; A242-L285 HydrophobicContact CB-CG 4.1Å; A243-L285 WeakPolarHBondContact O-CD1 3.4Å; M244-L285 HydrophobicContact CE-CD2 4.15Å; M244-L285 HydrophobicContact SD-CD1 3.59Å; M244-L285 VanDerWaalsContact SD-CD1 3.59Å; M244-L285 HydrophobicContact SD-CD2 3.65Å; M244-L285 HydrophobicContact SD-CG 4.26Å; L285-A289 HydrophobicContact CB-CB 4.27Å; L285-A289 HydrophobicContact CD1-CB 4.09Å; L285-A289 HydrophobicContact CD2-CB 4.32Å; L285-A289 HydrophobicContact CG-CB 4.47Å; L285-R291 WeakPolarHBondContact CA-O 3.46Å; L285-L292 HydrophobicContact CD2-CB 4.14Å; L285-L292 HydrophobicContact CD2-CD1 3.82Å; L285-L292 HydrophobicContact CG-CD1 4.38Å
286N95.3Very high95.9Very high8 Ų827 Ų274%0.04314%0.141CC..  trans-64.9171.6166.776.3-25.1000111.4W25 T288 A289 D290 R291W25-N286 HydrophobicContact CB-CB 4.38Å; W25-N286 HydrophobicContact CD2-CB 3.45Å; W25-N286 VanDerWaalsContact CD2-CB 3.45Å; W25-N286 HydrophobicContact CE3-CB 3.97Å; W25-N286 HydrophobicContact CG-CB 3.61Å; W25-N286 HydrophobicContact CZ2-CB 4.11Å; N286-T288 PolarHBondContact ND2-OG1 3.16Å; N286-T288 PolarHBondContact O-N 2.9Å; N286-A289 WeakPolarHBondContact O-CA 3.27Å; N286-A289 PolarHBondContact O-N 2.97Å; N286-A289 VanDerWaalsContact OD1-C 3.26Å; N286-A289 WeakPolarHBondContact OD1-CA 3.48Å; N286-A289 PolarHBondContact OD1-N 2.54Å; N286-D290 PolarHBondContact ND2-OD1 3.39Å; N286-D290 PolarHBondContact OD1-N 2.95Å; N286-D290 PolarHBondContact OD1-OD1 3.29Å; N286-R291 HydrophobicContact CB-CB 4.3Å; N286-R291 PolarHBondContact N-O 2.86Å; N286-R291 VanDerWaalsContact N-O 3.13Å; N286-R291 PolarHBondContact OD1-N 2.99Å; N286-R291 PolarHBondContact OD1-O 3.14Å
287A91.1Very high96.1Very high56 Ų5628.6 Ų28.646%0.46315%0.152SC..THydrogen-bonded Turntrans-58.5-32.2-173.700000114.1R77R77-A287 HydrophobicContact CG-CB 3.97Å
288T91.4Very high96.2Very high77 Ų7723.7 Ų23.747%0.47214%0.135SC..THydrogen-bonded Turntrans-91-1.817749.80000113.3N286 D290 C310N286-T288 PolarHBondContact ND2-OG1 3.16Å; N286-T288 PolarHBondContact O-N 2.9Å; T288-D290 PolarHBondContact O-N 2.96Å; T288-D290 PolarHBondContact OG1-OD1 2.84Å; T288-D290 PolarHBondContact OG1-OD2 2.98Å; T288-C310 PolarHBondContact O-SG 3.07Å
289A93.6Very high96.1Very high3 Ų322.9 Ų22.93%0.02513%0.129CC..SBendtrans54.69.4-171.800000115.8M244 P245 L285 N286 R291 T306 C310M244-A289 HydrophobicContact CE-CB 4.1Å; M244-A289 WeakPolarHBondContact CE-O 3.18Å; P245-A289 HydrophobicContact CG-CB 3.44Å; P245-A289 VanDerWaalsContact CG-CB 3.44Å; L285-A289 HydrophobicContact CB-CB 4.27Å; L285-A289 HydrophobicContact CD1-CB 4.09Å; L285-A289 HydrophobicContact CD2-CB 4.32Å; L285-A289 HydrophobicContact CG-CB 4.47Å; N286-A289 WeakPolarHBondContact O-CA 3.27Å; N286-A289 PolarHBondContact O-N 2.97Å; N286-A289 VanDerWaalsContact OD1-C 3.26Å; N286-A289 WeakPolarHBondContact OD1-CA 3.48Å; N286-A289 PolarHBondContact OD1-N 2.54Å; A289-R291 PolarHBondContact O-N 3.33Å; A289-T306 PolarHBondContact O-OG1 3.02Å; A289-C310 PolarHBondContact O-SG 3.17Å
290D94.7Very high95.9Very high46 Ų4623.7 Ų23.725%0.24613%0.131CC..SBendtrans-79.3-6.7179.66021.5000113N286 T288 T306 A307 C310N286-D290 PolarHBondContact ND2-OD1 3.39Å; N286-D290 PolarHBondContact OD1-N 2.95Å; N286-D290 PolarHBondContact OD1-OD1 3.29Å; T288-D290 PolarHBondContact O-N 2.96Å; T288-D290 PolarHBondContact OG1-OD1 2.84Å; T288-D290 PolarHBondContact OG1-OD2 2.98Å; D290-T306 PolarHBondContact O-N 3.15Å; D290-T306 PolarHBondContact O-OG1 2.89Å; D290-A307 HydrophobicContact CB-CB 3.82Å; D290-A307 PolarHBondContact O-N 3.31Å; D290-C310 VanDerWaalsContact CA-SG 3.56Å; D290-C310 PolarHBondContact N-SG 3.3Å; D290-C310 VanDerWaalsContact N-SG 3.38Å
291R96.6Very high95.8Very high24 Ų2423.7 Ų23.79%0.09113%0.131CC..EExtended strand (participates in β ladder)trans-126.5141.4168.9-56-64.9174.1-98.5-2.5110.7W25 D50 L285 N286 A289 I303 H304 D305 T306W25-R291 HydrophobicContact CE3-CB 4.39Å; W25-R291 HydrophobicContact CH2-CB 3.4Å; W25-R291 VanDerWaalsContact CH2-CB 3.4Å; W25-R291 HydrophobicContact CH2-CG 3.94Å; W25-R291 HydrophobicContact CZ2-CB 4.12Å; W25-R291 HydrophobicContact CZ2-CG 4.4Å; W25-R291 HydrophobicContact CZ3-CB 3.55Å; D50-R291 VanDerWaalsContact CG-NH2 3.32Å; D50-R291 IonicContact OD1-CZ 3.3Å; D50-R291 VanDerWaalsContact OD1-CZ 3.31Å; D50-R291 IonicContact OD1-NE 3.8Å; D50-R291 PolarHBondContact OD1-NE 3.26Å; D50-R291 IonicContact OD1-NH2 2.7Å; D50-R291 PolarHBondContact OD1-NH2 3.31Å; D50-R291 IonicContact OD2-CZ 3.74Å; D50-R291 IonicContact OD2-NE 3.05Å; D50-R291 IonicContact OD2-NH2 3.67Å; D50-R291 PolarHBondContact OD2-NH2 2.73Å; L285-R291 WeakPolarHBondContact CA-O 3.46Å; N286-R291 HydrophobicContact CB-CB 4.3Å; N286-R291 PolarHBondContact N-O 2.86Å; N286-R291 VanDerWaalsContact N-O 3.13Å; N286-R291 PolarHBondContact OD1-N 2.99Å; N286-R291 PolarHBondContact OD1-O 3.14Å; A289-R291 PolarHBondContact O-N 3.33Å; R291-I303 HydrophobicContact CB-CG2 4.31Å; R291-H304 WeakPolarHBondContact CA-O 3.34Å; R291-D305 IonicContact NH1-OD1 3.99Å; R291-D305 PolarHBondContact NH1-OD1 3.45Å; R291-T306 PolarHBondContact N-OG1 3.06Å
292L97.8Very high95.8Very high0 Ų020.9 Ų20.90%012%0.12CC..EExtended strand (participates in β ladder)trans-118.4120.6171.9174.475.6000109V251 V259 L273 I283 L285 I303 H304 T306V251-L292 HydrophobicContact CB-CD1 4.49Å; V251-L292 HydrophobicContact CG1-CD1 4.05Å; V251-L292 HydrophobicContact CG1-CD2 3.66Å; V259-L292 HydrophobicContact CG1-CD2 4.2Å; L273-L292 HydrophobicContact CD1-CD2 3.79Å; I283-L292 HydrophobicContact CB-CD1 3.99Å; I283-L292 HydrophobicContact CG2-CD1 4.34Å; L285-L292 HydrophobicContact CD2-CB 4.14Å; L285-L292 HydrophobicContact CD2-CD1 3.82Å; L285-L292 HydrophobicContact CG-CD1 4.38Å; L292-I303 CarbonylContact O-C 3.51Å; L292-I303 VanDerWaalsContact O-CA 3.28Å; L292-I303 WeakPolarHBondContact O-CA 3.29Å; L292-H304 PolarHBondContact N-O 3.26Å; L292-H304 PolarHBondContact O-N 2.69Å; L292-T306 HydrophobicContact CB-CG2 3.78Å
293V98.1Very high95.8Very high0 Ų020 Ų200%012%0.115CC..EExtended strand (participates in β ladder)trans-94.7147.7165.968.10000110.2T23 W25 V34 I283 S284 V301 M302 I303T23-V293 HydrophobicContact CG2-CG1 3.86Å; W25-V293 HydrophobicContact CE3-CB 3.8Å; W25-V293 HydrophobicContact CE3-CG1 3.78Å; W25-V293 HydrophobicContact CZ3-CB 3.84Å; W25-V293 HydrophobicContact CZ3-CG1 4.35Å; V34-V293 HydrophobicContact CG1-CG1 4.43Å; V34-V293 HydrophobicContact CG1-CG2 3.94Å; V34-V293 HydrophobicContact CG2-CG2 4.45Å; I283-V293 CarbonylContact C-O 3.59Å; I283-V293 VanDerWaalsContact CA-O 3.24Å; I283-V293 WeakPolarHBondContact CA-O 3.29Å; S284-V293 PolarHBondContact N-O 2.84Å; S284-V293 WeakPolarHBondContact O-CG1 3.47Å; S284-V293 PolarHBondContact O-N 2.9Å; V293-V301 HydrophobicContact CG2-CG1 3.55Å; V293-M302 CarbonylContact C-O 3.53Å; V293-M302 WeakPolarHBondContact CA-O 3.48Å; V293-I303 HydrophobicContact CB-CG1 4.15Å; V293-I303 HydrophobicContact CG2-CG1 4.01Å
294S98.1Very high95.7Very high0 Ų019.9 Ų19.90%012%0.115CC..EExtended strand (participates in β ladder)trans-138.7150.2173.4480000110.1R276 D282 V301 M302R276-S294 VanDerWaalsContact NH2-CB 3.34Å; R276-S294 PolarHBondContact NH2-O 3.49Å; R276-S294 PolarHBondContact NH2-OG 2.84Å; D282-S294 WeakPolarHBondContact O-CA 3.28Å; S294-V301 WeakPolarHBondContact O-CA 3.48Å; S294-M302 PolarHBondContact N-O 3.23Å; S294-M302 PolarHBondContact O-N 2.91Å; S294-M302 VanDerWaalsContact O-N 3.08Å; S294-M302 PolarHBondContact OG-O 2.85Å
295V97.8Very high95.6Very high0 Ų021.6 Ų21.60%012%0.123CC..EExtended strand (participates in β ladder)trans-132.1148.8180-65.10000111.8V20 T23 T36 V280 W281 D282 K300 V301V20-V295 HydrophobicContact CB-CB 3.98Å; V20-V295 HydrophobicContact CB-CG1 4.48Å; V20-V295 HydrophobicContact CB-CG2 4.47Å; V20-V295 HydrophobicContact CG1-CB 3.57Å; V20-V295 HydrophobicContact CG1-CG1 3.71Å; V20-V295 HydrophobicContact CG1-CG2 3.85Å; T23-V295 HydrophobicContact CG2-CG1 3.95Å; T23-V295 HydrophobicContact CG2-CG2 3.9Å; T36-V295 HydrophobicContact CG2-CG1 3.98Å; V280-V295 WeakPolarHBondContact CA-O 3.5Å; V280-V295 VanDerWaalsContact CG1-O 3.26Å; V280-V295 WeakPolarHBondContact CG1-O 3.4Å; W281-V295 PolarHBondContact N-O 2.89Å; D282-V295 HydrophobicContact CB-CG2 3.77Å; D282-V295 PolarHBondContact O-N 3.37Å; V295-K300 WeakPolarHBondContact CA-O 3.44Å; V295-V301 HydrophobicContact CG1-CG2 4.06Å
296D96.9Very high95.6Very high0 Ų021.1 Ų21.10%012%0.121CC..EExtended strand (participates in β ladder)trans-135.4176.2-177.472.614.2000114.9V20 R276 S278 A279 D298 G299 K300V20-D296 PolarHBondContact N-O 3.11Å; R276-D296 IonicContact CZ-OD2 3.33Å; R276-D296 IonicContact NH1-OD1 3.09Å; R276-D296 IonicContact NH1-OD2 2.72Å; R276-D296 PolarHBondContact NH1-OD2 2.55Å; S278-D296 VanDerWaalsContact OG-CG 3.3Å; S278-D296 PolarHBondContact OG-OD2 3.08Å; A279-D296 CarbonylContact O-C 3.57Å; A279-D296 WeakPolarHBondContact O-CA 3.28Å; A279-D296 WeakPolarHBondContact O-CB 3.43Å; D296-D298 PolarHBondContact O-N 2.8Å; D296-D298 PolarHBondContact OD1-N 3.02Å; D296-G299 PolarHBondContact O-N 2.88Å; D296-G299 VanDerWaalsContact O-N 3.08Å; D296-G299 PolarHBondContact OD1-N 2.88Å; D296-K300 PolarHBondContact N-O 3.2Å; D296-K300 WeakPolarHBondContact OD1-CA 3.41Å; D296-K300 WeakPolarHBondContact OD1-CB 3.25Å; D296-K300 PolarHBondContact OD1-N 2.8Å; D296-K300 WeakPolarHBondContact OD2-CB 3.14Å
297D95.8Very high95.5Very high57 Ų5722.5 Ų22.531%0.30513%0.134SC..THydrogen-bonded Turntrans-56.2-26.7176.1-102.9-16.8000114.8P19 A279 W281 G299P19-D297 WeakPolarHBondContact CA-O 3.35Å; P19-D297 WeakPolarHBondContact CG-O 3.46Å; A279-D297 HydrophobicContact CB-CB 4.48Å; A279-D297 VanDerWaalsContact CB-OD2 3.3Å; A279-D297 WeakPolarHBondContact CB-OD2 3.44Å; A279-D297 PolarHBondContact O-N 3.02Å; W281-D297 PolarHBondContact NE1-OD1 2.68Å; D297-G299 PolarHBondContact O-N 2.79Å
298D94.3Very high95.4Very high93 Ų9323.1 Ų23.150%0.49713%0.129SC..THydrogen-bonded Turntrans-90.812.8178.2-63.5-43.1000112.2S278 D296 K300S278-D298 WeakPolarHBondContact CB-OD2 3.49Å; S278-D298 PolarHBondContact OG-N 2.98Å; S278-D298 PolarHBondContact OG-OD2 2.86Å; D296-D298 PolarHBondContact O-N 2.8Å; D296-D298 PolarHBondContact OD1-N 3.02Å; D298-K300 PolarHBondContact O-N 2.86Å
299G93.1Very high95.2Very high0 Ų019.9 Ų19.90%011%0.109CC..  trans63.526.4-174.500000113A14 V15 D296 D297A14-G299 PolarHBondContact N-O 3.49Å; V15-G299 WeakPolarHBondContact CB-O 3.3Å; V15-G299 WeakPolarHBondContact CG2-O 3.5Å; V15-G299 PolarHBondContact N-O 2.79Å; D296-G299 PolarHBondContact O-N 2.88Å; D296-G299 VanDerWaalsContact O-N 3.08Å; D296-G299 PolarHBondContact OD1-N 2.88Å; D297-G299 PolarHBondContact O-N 2.79Å
300K93.8Very high94.4Very high26 Ų2621 Ų2111%0.11312%0.116CC..  trans-89.5127.5-178.8-170.9-171.2-175.2-167.20111S11 K12 G275 R276 V295 D296 D298 M302S11-K300 WeakPolarHBondContact OG-CE 3.39Å; K12-K300 CarbonylContact O-C 3.53Å; K12-K300 VanDerWaalsContact O-CA 3.26Å; K12-K300 WeakPolarHBondContact O-CA 3.27Å; K12-K300 VanDerWaalsContact O-CG 3.29Å; K12-K300 WeakPolarHBondContact O-CG 3.25Å; G275-K300 PolarHBondContact O-NZ 2.92Å; G275-K300 VanDerWaalsContact O-NZ 3.14Å; R276-K300 PolarHBondContact NH1-O 2.9Å; R276-K300 PolarHBondContact NH2-O 2.69Å; V295-K300 WeakPolarHBondContact CA-O 3.44Å; D296-K300 PolarHBondContact N-O 3.2Å; D296-K300 WeakPolarHBondContact OD1-CA 3.41Å; D296-K300 WeakPolarHBondContact OD1-CB 3.25Å; D296-K300 PolarHBondContact OD1-N 2.8Å; D296-K300 WeakPolarHBondContact OD2-CB 3.14Å; D298-K300 PolarHBondContact O-N 2.86Å; K300-M302 HydrophobicContact CD-CG 4.2Å; K300-M302 HydrophobicContact CD-SD 4.12Å; K300-M302 HydrophobicContact CG-CG 4.26Å; K300-M302 PolarHBondContact NZ-SD 3.49Å
301V96.3Very high93.2Very high0 Ų026.1 Ų26.10%014%0.136CC..EExtended strand (participates in β ladder)trans-99.7132.3170.3-179.20000109.3S11 K12 V15 T36 L55 V293 S294 V295S11-V301 WeakPolarHBondContact CA-O 3.26Å; K12-V301 PolarHBondContact N-O 3.29Å; K12-V301 PolarHBondContact O-N 2.86Å; V15-V301 HydrophobicContact CB-CG2 3.9Å; V15-V301 HydrophobicContact CG1-CG2 3.88Å; V15-V301 HydrophobicContact CG2-CB 3.97Å; V15-V301 HydrophobicContact CG2-CG2 3.6Å; T36-V301 HydrophobicContact CG2-CG2 4.1Å; L55-V301 HydrophobicContact CD1-CB 4.38Å; L55-V301 HydrophobicContact CD1-CG1 3.72Å; V293-V301 HydrophobicContact CG2-CG1 3.55Å; S294-V301 WeakPolarHBondContact O-CA 3.48Å; V295-V301 HydrophobicContact CG1-CG2 4.06Å
302M96.8Very high91.2Very high1 Ų130.1 Ų30.11%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-129.9137171.7-62.2-179.753.800110.3Q8 F10 R276 V293 S294 K300Q8-M302 HydrophobicContact CG-CE 3.87Å; F10-M302 WeakPolarHBondContact O-CA 3.25Å; R276-M302 HydrophobicContact CG-SD 3.64Å; V293-M302 CarbonylContact C-O 3.53Å; V293-M302 WeakPolarHBondContact CA-O 3.48Å; S294-M302 PolarHBondContact N-O 3.23Å; S294-M302 PolarHBondContact O-N 2.91Å; S294-M302 VanDerWaalsContact O-N 3.08Å; S294-M302 PolarHBondContact OG-O 2.85Å; K300-M302 HydrophobicContact CD-CG 4.2Å; K300-M302 HydrophobicContact CD-SD 4.12Å; K300-M302 HydrophobicContact CG-CG 4.26Å; K300-M302 PolarHBondContact NZ-SD 3.49Å
303I97.7Very high88.9Confident0 Ų032.4 Ų32.40%018%0.184CC..EExtended strand (participates in β ladder)trans-117.4131.6176.9-64169.8000109.2L9 F10 W25 V34 W48 L55 R291 L292 V293L9-I303 PolarHBondContact N-O 2.98Å; F10-I303 HydrophobicContact CB-CB 4.22Å; F10-I303 HydrophobicContact CD1-CD1 4.39Å; F10-I303 PolarHBondContact N-O 2.77Å; F10-I303 VanDerWaalsContact N-O 3.14Å; F10-I303 PolarHBondContact O-N 2.85Å; W25-I303 HydrophobicContact CH2-CD1 3.96Å; W25-I303 HydrophobicContact CH2-CG1 4.35Å; W25-I303 HydrophobicContact CH2-CG2 3.95Å; W25-I303 HydrophobicContact CZ3-CD1 4.2Å; W25-I303 HydrophobicContact CZ3-CG1 4.2Å; W25-I303 HydrophobicContact CZ3-CG2 4.11Å; V34-I303 HydrophobicContact CG2-CD1 4.41Å; W48-I303 HydrophobicContact CD2-CD1 3.77Å; W48-I303 HydrophobicContact CE3-CD1 3.32Å; W48-I303 HydrophobicContact CH2-CB 4.15Å; W48-I303 HydrophobicContact CH2-CD1 4.04Å; W48-I303 HydrophobicContact CH2-CG2 3.98Å; W48-I303 HydrophobicContact CZ2-CD1 4.45Å; W48-I303 HydrophobicContact CZ2-CG2 3.85Å; W48-I303 HydrophobicContact CZ3-CB 4.38Å; W48-I303 HydrophobicContact CZ3-CD1 3.47Å; W48-I303 VanDerWaalsContact CZ3-CD1 3.47Å; W48-I303 HydrophobicContact CZ3-CG1 4.48Å; L55-I303 HydrophobicContact CD1-CD1 4.03Å; L55-I303 HydrophobicContact CD2-CD1 3.89Å; L55-I303 HydrophobicContact CG-CD1 3.99Å; R291-I303 HydrophobicContact CB-CG2 4.31Å; L292-I303 CarbonylContact O-C 3.51Å; L292-I303 VanDerWaalsContact O-CA 3.28Å; L292-I303 WeakPolarHBondContact O-CA 3.29Å; V293-I303 HydrophobicContact CB-CG1 4.15Å; V293-I303 HydrophobicContact CG2-CG1 4.01Å
304H97.1Very high86.4Confident6 Ų637.9 Ų37.93%0.02822%0.22CC..EExtended strand (participates in β ladder)trans-121.2149.8179.7-55.780.5000111.4V6 K7 L273 R291 L292V6-H304 HydrophobicContact CG1-CB 3.56Å; K7-H304 CarbonylContact O-C 3.55Å; K7-H304 VanDerWaalsContact O-CA 3.29Å; K7-H304 WeakPolarHBondContact O-CA 3.29Å; L273-H304 HydrophobicContact CD1-CB 4.37Å; R291-H304 WeakPolarHBondContact CA-O 3.34Å; L292-H304 PolarHBondContact N-O 3.26Å; L292-H304 PolarHBondContact O-N 2.69Å
305D95.9Very high83.7Confident46 Ų4646.7 Ų46.725%0.24627%0.265CS..EExtended strand (participates in β ladder)trans-83.7110.3174.6-173.7-0.1000110.7V6 K7 L9 R291 A307V6-D305 WeakPolarHBondContact CG1-O 3.4Å; K7-D305 HydrophobicContact CB-CB 4.38Å; K7-D305 PolarHBondContact O-N 3.43Å; L9-D305 HydrophobicContact CD1-CB 3.89Å; L9-D305 HydrophobicContact CD2-CB 3.98Å; L9-D305 HydrophobicContact CG-CB 3.9Å; R291-D305 IonicContact NH1-OD1 3.99Å; R291-D305 PolarHBondContact NH1-OD1 3.45Å; D305-A307 WeakPolarHBondContact OD1-CB 3.23Å; D305-A307 PolarHBondContact OD1-N 3.09Å
306T95.1Very high81.1Confident0 Ų051.4 Ų51.40%030%0.298CS..  trans-10912.217846.50000112.3V6 A289 D290 R291 L292 N308 L309 C310V6-T306 HydrophobicContact CG1-CG2 3.96Å; V6-T306 HydrophobicContact CG2-CG2 4.13Å; A289-T306 PolarHBondContact O-OG1 3.02Å; D290-T306 PolarHBondContact O-N 3.15Å; D290-T306 PolarHBondContact O-OG1 2.89Å; R291-T306 PolarHBondContact N-OG1 3.06Å; L292-T306 HydrophobicContact CB-CG2 3.78Å; T306-N308 PolarHBondContact O-N 3.06Å; T306-N308 VanDerWaalsContact O-N 3.08Å; T306-L309 HydrophobicContact CG2-CD1 4.28Å; T306-L309 WeakPolarHBondContact O-CA 3.34Å; T306-L309 WeakPolarHBondContact O-CB 3.31Å; T306-L309 PolarHBondContact O-N 3.28Å; T306-C310 PolarHBondContact O-N 2.83Å; T306-C310 PolarHBondContact O-SG 2.79Å; T306-C310 VanDerWaalsContact O-SG 3.35Å
307A93.2Very high78.5Confident38 Ų3854 Ų5431%0.31431%0.314SS..THydrogen-bonded Turntrans-57.6-28.4-177.900000113.7D290 D305 L309 C310D290-A307 HydrophobicContact CB-CB 3.82Å; D290-A307 PolarHBondContact O-N 3.31Å; D305-A307 WeakPolarHBondContact OD1-CB 3.23Å; D305-A307 PolarHBondContact OD1-N 3.09Å; A307-L309 VanDerWaalsContact C-N 3.28Å; A307-L309 PolarHBondContact O-N 2.87Å; A307-C310 PolarHBondContact O-N 3.19Å
308N88.8Confident76.4Confident69 Ų6954.7 Ų54.737%0.36932%0.32SS..THydrogen-bonded Turntrans-69-25.9175.465.2-33.4000113.2S5 T306S5-N308 PolarHBondContact O-ND2 2.65Å; T306-N308 PolarHBondContact O-N 3.06Å; T306-N308 VanDerWaalsContact O-N 3.08Å
309L87.8Confident74.4Confident8 Ų850.3 Ų50.34%0.04230%0.297CS..THydrogen-bonded Turntrans-89.7-11.4177.7-54.5-176.7000112.6V6 M244 D246 H249 I261 T306 A307 K311V6-L309 HydrophobicContact CG2-CD1 3.77Å; V6-L309 HydrophobicContact CG2-CG 4.12Å; M244-L309 HydrophobicContact CE-CB 3.76Å; M244-L309 HydrophobicContact CE-CD1 4.39Å; D246-L309 VanDerWaalsContact CB-O 3.23Å; D246-L309 WeakPolarHBondContact CB-O 3.49Å; D246-L309 VanDerWaalsContact OD2-O 3.11Å; H249-L309 HydrophobicContact CB-CD1 4.5Å; I261-L309 HydrophobicContact CD1-CD1 3.98Å; I261-L309 HydrophobicContact CG1-CD1 4.48Å; I261-L309 HydrophobicContact CG2-CD1 3.9Å; T306-L309 HydrophobicContact CG2-CD1 4.28Å; T306-L309 WeakPolarHBondContact O-CA 3.34Å; T306-L309 WeakPolarHBondContact O-CB 3.31Å; T306-L309 PolarHBondContact O-N 3.28Å; A307-L309 VanDerWaalsContact C-N 3.28Å; A307-L309 PolarHBondContact O-N 2.87Å; L309-K311 VanDerWaalsContact C-N 3.31Å; L309-K311 PolarHBondContact O-N 3.42Å
310C77.7Confident72.4Confident27 Ų2752.3 Ų52.318%0.18231%0.307CS..  trans-84.3-2.2179.8-590000114.4T288 A289 D290 T306 A307 P312T288-C310 PolarHBondContact O-SG 3.07Å; A289-C310 PolarHBondContact O-SG 3.17Å; D290-C310 VanDerWaalsContact CA-SG 3.56Å; D290-C310 PolarHBondContact N-SG 3.3Å; D290-C310 VanDerWaalsContact N-SG 3.38Å; T306-C310 PolarHBondContact O-N 2.83Å; T306-C310 PolarHBondContact O-SG 2.79Å; T306-C310 VanDerWaalsContact O-SG 3.35Å; A307-C310 PolarHBondContact O-N 3.19Å; C310-P312 WeakPolarHBondContact O-CD 3.48Å
311K68.1Low70.7Confident153 Ų15354.4 Ų54.467%0.66532%0.32SS*.SBendtrans-77.8118.6-175-68.2-178.2-178.3176.90109L309 A313L309-K311 VanDerWaalsContact C-N 3.31Å; L309-K311 PolarHBondContact O-N 3.42Å; K311-A313 PolarHBondContact O-N 2.63Å
312P54.1Low68.7Low109 Ų10955 Ų5571%0.70832%0.323SS*.PPolyproline II helixtrans-58134.2176.621.8-30000109.1C310C310-P312 WeakPolarHBondContact O-CD 3.48Å
313A50.2Low66.5Low48 Ų4855.3 Ų55.340%0.39733%0.325SS..PPolyproline II helixtrans-55.2145.5167.500000108.9K311 I315K311-A313 PolarHBondContact O-N 2.63Å; A313-I315 PolarHBondContact O-N 3.06Å
314P45.3Very low64.6Low115 Ų11559 Ų5975%0.74735%0.345SS*.PPolyproline II helixtrans-50.1138.7175.7-22.831.2000111S316 T317P314-S316 PolarHBondContact O-N 3.5Å; P314-T317 PolarHBondContact O-OG1 3.26Å
315I42.8Very low62.5Low185 Ų18560.5 Ų60.595%0.94936%0.356SS*.SBendtrans-61.755.3-160.5-54.9159.9000114.7A313A313-I315 PolarHBondContact O-N 3.06Å
316S42.5Very low60.2Low99 Ų9960 Ų6069%0.69236%0.358SS*.  trans-148.119176-175.30000112.8P314P314-S316 PolarHBondContact O-N 3.5Å
317T42.4Very low58Low54 Ų5463.8 Ų63.833%0.33138%0.38SS..  trans-131.691.1-174.7-5.50000109.9P314 D321 V322P314-T317 PolarHBondContact O-OG1 3.26Å; T317-D321 WeakPolarHBondContact CA-OD2 3.23Å; T317-D321 HydrophobicContact CG2-CB 3.36Å; T317-V322 HydrophobicContact CG2-CB 4.44Å; T317-V322 HydrophobicContact CG2-CG2 3.44Å; T317-V322 VanDerWaalsContact CG2-CG2 3.44Å
318T52.3Low55.8Low71 Ų7168.5 Ų68.544%0.43640%0.4SS..  -15.9130.5129.663.20000114.3I320 D321 V322T318-I320 PolarHBondContact O-N 2.77Å; T318-D321 VanDerWaalsContact CA-OD2 3.27Å; T318-D321 WeakPolarHBondContact CA-OD2 3.08Å; T318-D321 PolarHBondContact N-OD2 2.92Å; T318-D321 PolarHBondContact O-N 3.22Å; T318-V322 WeakPolarHBondContact O-CG2 3.48Å; T318-V322 PolarHBondContact O-N 2.97Å
319I52.2Low53.7Low1 Ų174 Ų741%0.00542%0.421CS..Hα-helixtrans-52.9-27156.1-136.4163.2000110.3L206 F208 R222 A247 V322 I323L206-I319 HydrophobicContact CD1-CB 4.23Å; L206-I319 HydrophobicContact CD1-CD1 3.23Å; L206-I319 HydrophobicContact CD1-CG1 3.7Å; L206-I319 HydrophobicContact CD1-CG2 3.54Å; L206-I319 HydrophobicContact CD2-CG2 3.89Å; L206-I319 HydrophobicContact CG-CD1 3.93Å; L206-I319 HydrophobicContact CG-CG2 3.59Å; F208-I319 HydrophobicContact CZ-CD1 4.25Å; R222-I319 VanDerWaalsContact NH2-CG2 3.34Å; A247-I319 HydrophobicContact CB-CD1 3.8Å; A247-I319 HydrophobicContact CB-CG1 4.1Å; A247-I319 WeakPolarHBondContact O-CD1 3.31Å; A247-I319 WeakPolarHBondContact O-CG1 3.42Å; I319-V322 WeakPolarHBondContact O-CB 3.15Å; I319-V322 PolarHBondContact O-N 3.14Å; I319-I323 HydrophobicContact CG2-CD1 4.46Å; I319-I323 VanDerWaalsContact O-CG1 3.25Å; I319-I323 WeakPolarHBondContact O-CG1 3.43Å; I319-I323 PolarHBondContact O-N 3.2Å
320I51.4Low51.4Low42 Ų4280.6 Ų80.622%0.21548%0.477CS..Hα-helixtrans-61.2-52.9168.3-112.5161000111.3R222 T318 V322 I323 D324R222-I320 VanDerWaalsContact NH1-CD1 3.25Å; T318-I320 PolarHBondContact O-N 2.77Å; I320-V322 PolarHBondContact O-N 2.6Å; I320-V322 VanDerWaalsContact O-N 3.11Å; I320-I323 CarbonylContact O-C 3.57Å; I320-I323 PolarHBondContact O-N 3.07Å; I320-D324 VanDerWaalsContact O-CB 3.3Å; I320-D324 WeakPolarHBondContact O-CB 3.29Å; I320-D324 PolarHBondContact O-N 3.26Å
321D57.6Low50.1Low71 Ų7183.3 Ų83.338%0.3849%0.491SS..Hα-helixtrans-60.7-30.8-178.3-63.6-48.5000110.6T317 T318 S325T317-D321 WeakPolarHBondContact CA-OD2 3.23Å; T317-D321 HydrophobicContact CG2-CB 3.36Å; T318-D321 VanDerWaalsContact CA-OD2 3.27Å; T318-D321 WeakPolarHBondContact CA-OD2 3.08Å; T318-D321 PolarHBondContact N-OD2 2.92Å; T318-D321 PolarHBondContact O-N 3.22Å; D321-S325 VanDerWaalsContact O-CB 3.22Å; D321-S325 WeakPolarHBondContact O-CB 3.45Å; D321-S325 PolarHBondContact O-N 3.4Å; D321-S325 PolarHBondContact O-OG 3.49Å
322V53.1Low49.1Very low12 Ų1279.6 Ų79.67%0.07348%0.482CS..Hα-helixtrans-66-51.8173.1175.80000110.8R265 T317 T318 I319 I320 S325R265-V322 HydrophobicContact CB-CG1 3.2Å; R265-V322 HydrophobicContact CG-CG1 3.34Å; T317-V322 HydrophobicContact CG2-CB 4.44Å; T317-V322 HydrophobicContact CG2-CG2 3.44Å; T317-V322 VanDerWaalsContact CG2-CG2 3.44Å; T318-V322 WeakPolarHBondContact O-CG2 3.48Å; T318-V322 PolarHBondContact O-N 2.97Å; I319-V322 WeakPolarHBondContact O-CB 3.15Å; I319-V322 PolarHBondContact O-N 3.14Å; I320-V322 PolarHBondContact O-N 2.6Å; I320-V322 VanDerWaalsContact O-N 3.11Å; V322-S325 PolarHBondContact O-OG 3Å
323I51.1Low48.8Very low8 Ų877.9 Ų77.94%0.04147%0.47CS..Hα-helixtrans-72.2-46.1-177.6-66.5167.4000112.1L206 V264 I319 I320 S325 A326 V327L206-I323 HydrophobicContact CD1-CD1 4.15Å; V264-I323 HydrophobicContact CG1-CD1 4.29Å; V264-I323 HydrophobicContact CG1-CG1 4.38Å; I319-I323 HydrophobicContact CG2-CD1 4.46Å; I319-I323 VanDerWaalsContact O-CG1 3.25Å; I319-I323 WeakPolarHBondContact O-CG1 3.43Å; I319-I323 PolarHBondContact O-N 3.2Å; I320-I323 CarbonylContact O-C 3.57Å; I320-I323 PolarHBondContact O-N 3.07Å; I323-S325 VanDerWaalsContact C-N 3.29Å; I323-S325 PolarHBondContact O-N 3.14Å; I323-A326 WeakPolarHBondContact O-CB 3.21Å; I323-A326 PolarHBondContact O-N 2.75Å; I323-V327 PolarHBondContact O-N 3.39Å
324D57.4Low48.7Very low78 Ų7879.7 Ų79.742%0.41747%0.474SS..Hα-helixtrans-65-30.9-179.5-74.6-11.4000112.3I320 A326 N328I320-D324 VanDerWaalsContact O-CB 3.3Å; I320-D324 WeakPolarHBondContact O-CB 3.29Å; I320-D324 PolarHBondContact O-N 3.26Å; D324-A326 PolarHBondContact O-N 2.79Å; D324-N328 PolarHBondContact O-N 3.16Å; D324-N328 PolarHBondContact O-ND2 2.92Å
325S53.3Low49Very low37 Ų3777.5 Ų77.526%0.25946%0.457SS..Hα-helixtrans-68-23.6173.380.70000113.4R265 D321 V322 I323R265-S325 PolarHBondContact NH2-OG 2.73Å; D321-S325 VanDerWaalsContact O-CB 3.22Å; D321-S325 WeakPolarHBondContact O-CB 3.45Å; D321-S325 PolarHBondContact O-N 3.4Å; D321-S325 PolarHBondContact O-OG 3.49Å; V322-S325 PolarHBondContact O-OG 3Å; I323-S325 VanDerWaalsContact C-N 3.29Å; I323-S325 PolarHBondContact O-N 3.14Å
326A47.3Very low49.4Very low35 Ų3570.3 Ų70.329%0.28942%0.424SS..Hα-helixtrans-86.1-37.9178.700000111.6I323 D324 N328 K329I323-A326 WeakPolarHBondContact O-CB 3.21Å; I323-A326 PolarHBondContact O-N 2.75Å; D324-A326 PolarHBondContact O-N 2.79Å; A326-N328 VanDerWaalsContact C-N 3.34Å; A326-N328 PolarHBondContact O-N 3.16Å; A326-K329 PolarHBondContact O-N 2.89Å
327V50.3Low49.9Very low79 Ų7968.3 Ų68.348%0.47941%0.405SS..Hα-helixtrans-65.3-37.3177178.20000111.5I323 K329I323-V327 PolarHBondContact O-N 3.39Å; V327-K329 PolarHBondContact O-N 3.49Å
328N45.8Very low50.4Low137 Ų13769.4 Ų69.473%0.73341%0.411SS*.THydrogen-bonded Turntrans-75.6-0.1178.1-74.2-53.8000114.8D324 A326D324-N328 PolarHBondContact O-N 3.16Å; D324-N328 PolarHBondContact O-ND2 2.92Å; A326-N328 VanDerWaalsContact C-N 3.34Å; A326-N328 PolarHBondContact O-N 3.16Å
329K45.3Very low50.3Low184 Ų18469.3 Ų69.380%0.841%0.409SS*.THydrogen-bonded Turntrans-113.5-0.5179.3-77.8-173.8177.3-178.80114.3A326 V327A326-K329 PolarHBondContact O-N 2.89Å; V327-K329 PolarHBondContact O-N 3.49Å
330A38.7Very low50.1Low147 Ų14775.5 Ų75.5100%1.21545%0.445SS*.  trans-1000172.900000110.5

Retrieved 330 of 330 residues in 187.3 ms (Link to these results)

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