A0A096NPY0_PAPAN Loading...

S-arrestin

Binds to photoactivated, phosphorylated RHO and terminates RHO signaling via G-proteins by competing with G-proteins for the same binding site on RHO. May play a role in preventing light-dependent degeneration of retinal photoreceptor cells.

AlphaFold DB (A0A2I3LX81), UniProt , Accession A0A096NPY0, Species PAPAN (Papio anubis, Olive baboon), Gene SAG, Length 405 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M36.2Very low37.3Very low248 Ų248138.9 Ų138.9100%1.22283%0.833SS**  0130.30-71.7-161.8-161.900108
2A31.9Very low39.6Very low104 Ų104135.8 Ų135.886%0.8682%0.818SS**  trans-69.3140.7-164.700000113.5S4A2-S4 PolarHBondContact O-N 2.79Å
3A32.8Very low42.3Very low104 Ų104133.2 Ų133.286%0.8680%0.797SS**  trans-66.8121.4167.900000109.6G5A3-G5 PolarHBondContact O-N 3.24Å
4S32.6Very low45.1Very low121 Ų121126.6 Ų126.685%0.84675%0.754SS**  trans-77.4102.4172.7-173.60000108.6A2 K6A2-S4 PolarHBondContact O-N 2.79Å; S4-K6 PolarHBondContact O-N 3.38Å
5G31.9Very low48Very low62 Ų62121.2 Ų121.264%0.63972%0.722SS**  trans-67117.7167.300000109.4A3 T7A3-G5 PolarHBondContact O-N 3.24Å; G5-T7 PolarHBondContact O-N 3.34Å
6K33.5Very low50.8Low208 Ų208113.6 Ų113.690%0.90468%0.677SS**  trans-65.2101.3163.9-78.1179.1174.7178.50107.6S4 S8S4-K6 PolarHBondContact O-N 3.38Å; K6-S8 PolarHBondContact O-N 3.3Å
7T33.6Very low53.3Low131 Ų131108.6 Ų108.680%0.80464%0.644SS**  trans-65.9110.3162.234.80000107.6G5 K9G5-T7 PolarHBondContact O-N 3.34Å; T7-K9 PolarHBondContact O-N 3.07Å
8S34.6Very low55.6Low115 Ų115106.1 Ų106.180%0.80462%0.624SS**  trans-60.5105.7166.741.50000107.9K6 S10K6-S8 PolarHBondContact O-N 3.3Å; S8-S10 PolarHBondContact O-N 3.31Å
9K43.3Very low57.6Low201 Ų201104.4 Ų104.487%0.87461%0.608SS**  trans-59111.7161.5-80.8-179.7173.8179.90106.3T7 E11T7-K9 PolarHBondContact O-N 3.07Å; K9-E11 PolarHBondContact O-N 3.16Å
10S45.3Very low59.4Low109 Ų109103.4 Ų103.476%0.76260%0.599SS**PPolyproline II helixtrans-54.5122.7169.754.20000108.4S8S8-S10 PolarHBondContact O-N 3.31Å
11E55Low61.1Low125 Ų12598.7 Ų98.758%0.58457%0.572SS**PPolyproline II helixtrans-55.4135.2172.2-71172.417500109K9 N13K9-E11 PolarHBondContact O-N 3.16Å; E11-N13 PolarHBondContact O-N 3.43Å; E11-N13 VanDerWaalsContact O-N 3.15Å
12P64.2Low63.7Low101 Ų10195.6 Ų95.666%0.65655%0.547SS*.PPolyproline II helixtrans-64.2118.7177.825.1-30.9000109.1H14P12-H14 PolarHBondContact O-N 3.2Å
13N75.1Confident66.6Low103 Ų10393 Ų9355%0.55152%0.518SS*.EExtended strand (participates in β ladder)trans-66.4127.1171.2-72.9-19.9000108.7E11 N376 V378E11-N13 PolarHBondContact O-N 3.43Å; E11-N13 VanDerWaalsContact O-N 3.15Å; N13-N376 WeakPolarHBondContact CA-O 3.25Å; N13-N376 PolarHBondContact OD1-ND2 2.87Å; N13-V378 HydrophobicContact CB-CG2 3.99Å
14H81.5Confident69.4Low40 Ų4095 Ų9519%0.18551%0.507CS..EExtended strand (participates in β ladder)trans-106.1115.2175.7-160.390.6000109.3P12 Y372 A375 N376 L377 V378P12-H14 PolarHBondContact O-N 3.2Å; H14-Y372 AromaticContact CD2-CE1 3.56Å; H14-Y372 AromaticContact CE1-CE1 3.3Å; H14-Y372 WeakPolarHBondContact CE1-CE1 3.48Å; H14-Y372 AromaticContact CE1-CZ 3.52Å; H14-Y372 PolarHBondContact CE1-OH 3.07Å; H14-Y372 VanDerWaalsContact CE1-OH 3.25Å; H14-Y372 AromaticContact CG-CE1 3.89Å; H14-Y372 AromaticContact ND1-CE1 3.75Å; H14-Y372 AromaticContact NE2-CE1 3.18Å; H14-Y372 WeakPolarHBondContact NE2-CE1 3Å; H14-Y372 AromaticContact NE2-CZ 3.7Å; H14-Y372 PolarHBondContact NE2-OH 2.68Å; H14-A375 HydrophobicContact CB-CB 4.3Å; H14-N376 PolarHBondContact N-O 3.26Å; H14-L377 HydrophobicContact CB-CD2 4.11Å; H14-L377 WeakPolarHBondContact O-CA 3.35Å; H14-V378 PolarHBondContact O-N 2.95Å
15V88.8Confident72.4Confident46 Ų4689.3 Ų89.328%0.27947%0.468SS..EExtended strand (participates in β ladder)trans-79.3127.9-177.1179.80000109.6F17 V378 E380V15-F17 HydrophobicContact CG1-CD1 4.28Å; V15-F17 HydrophobicContact CG1-CE1 3.7Å; V15-F17 HydrophobicContact CG1-CE2 4.32Å; V15-F17 HydrophobicContact CG1-CZ 3.74Å; V15-V378 CarbonylContact C-O 3.55Å; V15-V378 WeakPolarHBondContact CA-O 3.18Å; V15-E380 HydrophobicContact CG1-CB 3.97Å; V15-E380 VanDerWaalsContact CG1-CD 3.49Å; V15-E380 HydrophobicContact CG1-CG 3.8Å; V15-E380 WeakPolarHBondContact CG1-OE2 3.44Å
16I92.3Very high75.4Confident0 Ų086.4 Ų86.40%044%0.438CS..EExtended strand (participates in β ladder)trans-117.9126.9174-58.8-61.2000108.1Y29 L107 L111 L377 V378 F379 E380I16-Y29 HydrophobicContact CG2-CD1 4.11Å; I16-L107 HydrophobicContact CD1-CD1 3.53Å; I16-L111 HydrophobicContact CG1-CD2 4.27Å; I16-L111 HydrophobicContact CG2-CD2 4.1Å; I16-L377 HydrophobicContact CD1-CD2 4.38Å; I16-L377 HydrophobicContact CG1-CB 4.44Å; I16-L377 HydrophobicContact CG1-CD2 4.04Å; I16-V378 PolarHBondContact N-O 3.01Å; I16-F379 HydrophobicContact CB-CD1 3.77Å; I16-F379 HydrophobicContact CB-CE1 3.99Å; I16-F379 HydrophobicContact CG1-CE1 4.46Å; I16-F379 HydrophobicContact CG2-CD1 3.89Å; I16-F379 HydrophobicContact CG2-CE1 3.92Å; I16-F379 CarbonylContact O-C 3.56Å; I16-F379 WeakPolarHBondContact O-CA 3.34Å; I16-E380 PolarHBondContact O-N 2.95Å
17F93.3Very high78.4Confident28 Ų2877 Ų7712%0.12340%0.398CS..EExtended strand (participates in β ladder)trans-89.4135.9179.5-56.2-73.7000110.3V15 Y29 L30 R33 E380 F382V15-F17 HydrophobicContact CG1-CD1 4.28Å; V15-F17 HydrophobicContact CG1-CE1 3.7Å; V15-F17 HydrophobicContact CG1-CE2 4.32Å; V15-F17 HydrophobicContact CG1-CZ 3.74Å; F17-Y29 CarbonylContact O-C 3.49Å; F17-Y29 VanDerWaalsContact O-CA 3.31Å; F17-Y29 WeakPolarHBondContact O-CA 3.3Å; F17-L30 PolarHBondContact N-O 3.4Å; F17-L30 PolarHBondContact O-N 3.4Å; F17-R33 HydrophobicContact CD1-CG 4.39Å; F17-R33 VanDerWaalsContact CD1-NH2 3.32Å; F17-R33 HydrophobicContact CD2-CG 3.76Å; F17-R33 HydrophobicContact CE1-CG 4.43Å; F17-R33 VanDerWaalsContact CE1-NH2 3.29Å; F17-R33 HydrophobicContact CE2-CG 3.81Å; F17-R33 HydrophobicContact CG-CG 4.05Å; F17-R33 HydrophobicContact CZ-CG 4.14Å; F17-E380 CarbonylContact C-O 3.6Å; F17-E380 WeakPolarHBondContact CA-O 3.05Å; F17-E380 HydrophobicContact CD1-CB 4.2Å; F17-E380 HydrophobicContact CE1-CB 4.37Å; F17-F382 HydrophobicContact CB-CB 4.26Å; F17-F382 HydrophobicContact CB-CD2 3.61Å; F17-F382 HydrophobicContact CB-CE2 4.49Å; F17-F382 HydrophobicContact CB-CG 4.37Å; F17-F382 HydrophobicContact CG-CD2 4.26Å
18K94.3Very high81.4Confident64 Ų6470.8 Ų70.828%0.27836%0.36SS..EExtended strand (participates in β ladder)trans-126.7159.4174.370.5178.6-179179.90111.8I28 Y29 F379 E380 F382K18-I28 CarbonylContact C-O 3.57Å; K18-I28 VanDerWaalsContact CA-O 3.22Å; K18-I28 WeakPolarHBondContact CA-O 3.49Å; K18-Y29 HydrophobicContact CB-CD1 3.61Å; K18-Y29 HydrophobicContact CB-CE1 3.64Å; K18-Y29 HydrophobicContact CB-CG 4.2Å; K18-Y29 HydrophobicContact CD-CE1 3.83Å; K18-Y29 HydrophobicContact CG-CE1 4.35Å; K18-F379 HydrophobicContact CD-CB 4.24Å; K18-E380 PolarHBondContact N-O 3.19Å; K18-F382 PolarHBondContact O-N 3.29Å
19K94.4Very high84.3Confident73 Ų7366 Ų6632%0.31732%0.324SS..EExtended strand (participates in β ladder)trans-149.2140.6165.1-166.3175.1178.5174.70109.8T27 I28 V174 R175 L176 F382K19-T27 WeakPolarHBondContact O-CA 3.45Å; K19-T27 WeakPolarHBondContact O-CG2 3.3Å; K19-I28 HydrophobicContact CB-CG2 4.23Å; K19-I28 PolarHBondContact N-O 3.3Å; K19-I28 WeakPolarHBondContact O-CG2 3.31Å; K19-I28 PolarHBondContact O-N 3.25Å; K19-V174 HydrophobicContact CB-CG2 3.7Å; K19-V174 HydrophobicContact CD-CG2 3.73Å; K19-V174 HydrophobicContact CG-CG2 3.54Å; K19-R175 WeakPolarHBondContact CD-O 3.44Å; K19-R175 WeakPolarHBondContact CE-O 3.45Å; K19-R175 PolarHBondContact NZ-O 2.79Å; K19-L176 HydrophobicContact CB-CD2 3.56Å; K19-L176 HydrophobicContact CD-CD2 3.64Å; K19-L176 HydrophobicContact CG-CD2 4.27Å; K19-F382 HydrophobicContact CB-CB 4.49Å
20I94.3Very high86.7Confident85 Ų8556.5 Ų56.544%0.43628%0.283SS..EExtended strand (participates in β ladder)trans-103.5142.8-179.3-168.6157.8000110.6K24 T27I20-K24 HydrophobicContact CD1-CB 3.86Å; I20-K24 HydrophobicContact CD1-CG 3.86Å; I20-K24 HydrophobicContact CG1-CB 4.23Å; I20-K24 HydrophobicContact CG1-CG 4.24Å; I20-T27 HydrophobicContact CB-CG2 4.37Å; I20-T27 WeakPolarHBondContact CG1-OG1 3.07Å
21S94Very high88.9Confident4 Ų451.6 Ų51.63%0.02825%0.249CC..  trans-64.7160.7168.752.80000111.3D23 K24 S25 V26S21-D23 VanDerWaalsContact C-N 3.34Å; S21-D23 PolarHBondContact O-N 3.45Å; S21-D23 PolarHBondContact OG-OD1 3.29Å; S21-K24 PolarHBondContact O-N 3.31Å; S21-K24 VanDerWaalsContact O-N 3.1Å; S21-K24 PolarHBondContact OG-N 2.62Å; S21-S25 PolarHBondContact OG-N 3.18Å; S21-V26 VanDerWaalsContact CB-O 3.24Å; S21-V26 WeakPolarHBondContact CB-O 3.29Å; S21-V26 PolarHBondContact N-O 2.88Å; S21-V26 PolarHBondContact OG-N 2.92Å; S21-V26 PolarHBondContact OG-O 3.35Å
22R91.7Very high90.6Very high184 Ų18448.2 Ų48.269%0.69423%0.233SC*.THydrogen-bonded Turntrans-65.9-38.3-176-65-179.5176.1-165.4-5.5112.1K24 K171R22-K24 VanDerWaalsContact C-N 3.26Å; R22-K171 PolarHBondContact N-O 2.78Å; R22-K171 VanDerWaalsContact N-O 3.15Å
23D91.9Very high91.9Very high48 Ų4844.8 Ų44.826%0.25721%0.207SC..THydrogen-bonded Turntrans-852175.867.66.2000113.6S21 S25 K171 S172S21-D23 VanDerWaalsContact C-N 3.34Å; S21-D23 PolarHBondContact O-N 3.45Å; S21-D23 PolarHBondContact OG-OD1 3.29Å; D23-S25 VanDerWaalsContact CG-OG 3.25Å; D23-S25 PolarHBondContact O-N 3.39Å; D23-S25 VanDerWaalsContact O-N 3.14Å; D23-S25 VanDerWaalsContact OD1-CB 3.24Å; D23-S25 WeakPolarHBondContact OD1-CB 3.16Å; D23-S25 PolarHBondContact OD1-N 3.34Å; D23-S25 PolarHBondContact OD1-OG 3.17Å; D23-S25 PolarHBondContact OD2-OG 3.24Å; D23-K171 HydrophobicContact CB-CB 4.43Å; D23-K171 PolarHBondContact N-O 3.28Å; D23-K171 VanDerWaalsContact N-O 3.12Å; D23-S172 WeakPolarHBondContact OD2-CA 3.32Å; D23-S172 VanDerWaalsContact OD2-CB 3.29Å; D23-S172 WeakPolarHBondContact OD2-CB 3.46Å; D23-S172 PolarHBondContact OD2-N 3.09Å
24K93Very high92.6Very high146 Ų14642.4 Ų42.464%0.63519%0.194SC*.SBendtrans63.49.1179.7-53.1177.2-176.4173.60114.9I20 S21 R22I20-K24 HydrophobicContact CD1-CB 3.86Å; I20-K24 HydrophobicContact CD1-CG 3.86Å; I20-K24 HydrophobicContact CG1-CB 4.23Å; I20-K24 HydrophobicContact CG1-CG 4.24Å; S21-K24 PolarHBondContact O-N 3.31Å; S21-K24 VanDerWaalsContact O-N 3.1Å; S21-K24 PolarHBondContact OG-N 2.62Å; R22-K24 VanDerWaalsContact C-N 3.26Å
25S93.7Very high93.1Very high3 Ų340.8 Ų40.82%0.02119%0.186CC..SBendtrans-72-31.3-178.965.20000113.5S21 D23 D52S21-S25 PolarHBondContact OG-N 3.18Å; D23-S25 VanDerWaalsContact CG-OG 3.25Å; D23-S25 PolarHBondContact O-N 3.39Å; D23-S25 VanDerWaalsContact O-N 3.14Å; D23-S25 VanDerWaalsContact OD1-CB 3.24Å; D23-S25 WeakPolarHBondContact OD1-CB 3.16Å; D23-S25 PolarHBondContact OD1-N 3.34Å; D23-S25 PolarHBondContact OD1-OG 3.17Å; D23-S25 PolarHBondContact OD2-OG 3.24Å; S25-D52 PolarHBondContact O-N 3.41Å
26V95.3Very high93.2Very high0 Ų039.6 Ų39.60%018%0.178CC..EExtended strand (participates in β ladder)trans-126.7128.2-177.5-179.20000109.6S21 V49 V61 A155 A157 V174S21-V26 VanDerWaalsContact CB-O 3.24Å; S21-V26 WeakPolarHBondContact CB-O 3.29Å; S21-V26 PolarHBondContact N-O 2.88Å; S21-V26 PolarHBondContact OG-N 2.92Å; S21-V26 PolarHBondContact OG-O 3.35Å; V26-V49 HydrophobicContact CG1-CG1 3.61Å; V26-V61 HydrophobicContact CG1-CG1 4.39Å; V26-V61 HydrophobicContact CG2-CG1 4.34Å; V26-A155 HydrophobicContact CG1-CB 3.84Å; V26-A157 HydrophobicContact CG2-CB 4.01Å; V26-V174 HydrophobicContact CG1-CG1 4.08Å
27T96.3Very high93.1Very high12 Ų1240.2 Ų40.27%0.07418%0.182CC..EExtended strand (participates in β ladder)trans-125.6126.8171-54.10000109.5K19 I20 Y29 V49 L50K19-T27 WeakPolarHBondContact O-CA 3.45Å; K19-T27 WeakPolarHBondContact O-CG2 3.3Å; I20-T27 HydrophobicContact CB-CG2 4.37Å; I20-T27 WeakPolarHBondContact CG1-OG1 3.07Å; T27-Y29 HydrophobicContact CG2-CD2 4.23Å; T27-Y29 HydrophobicContact CG2-CE2 3.47Å; T27-Y29 VanDerWaalsContact CG2-CE2 3.47Å; T27-V49 CarbonylContact O-C 3.55Å; T27-V49 WeakPolarHBondContact O-CA 3.41Å; T27-L50 PolarHBondContact N-O 2.88Å; T27-L50 PolarHBondContact O-N 3.45Å
28I96.4Very high92.6Very high0 Ų041.6 Ų41.60%019%0.188CC..EExtended strand (participates in β ladder)trans-103.5140.5180-177.8159.7000110.3K18 K19 V63 F122 V153 A155 V174 L176K18-I28 CarbonylContact C-O 3.57Å; K18-I28 VanDerWaalsContact CA-O 3.22Å; K18-I28 WeakPolarHBondContact CA-O 3.49Å; K19-I28 HydrophobicContact CB-CG2 4.23Å; K19-I28 PolarHBondContact N-O 3.3Å; K19-I28 WeakPolarHBondContact O-CG2 3.31Å; K19-I28 PolarHBondContact O-N 3.25Å; I28-V63 HydrophobicContact CD1-CG1 4.41Å; I28-F122 HydrophobicContact CD1-CE1 4.13Å; I28-F122 HydrophobicContact CD1-CZ 3.81Å; I28-F122 HydrophobicContact CG1-CE1 4.19Å; I28-F122 HydrophobicContact CG1-CZ 4.19Å; I28-V153 HydrophobicContact CD1-CG1 3.72Å; I28-A155 HydrophobicContact CB-CB 4.4Å; I28-A155 HydrophobicContact CD1-CB 4.1Å; I28-V174 HydrophobicContact CB-CG1 4.15Å; I28-V174 HydrophobicContact CG2-CB 4.34Å; I28-V174 HydrophobicContact CG2-CG1 3.6Å; I28-V174 HydrophobicContact CG2-CG2 3.77Å; I28-L176 HydrophobicContact CB-CD1 4.25Å; I28-L176 HydrophobicContact CD1-CD1 3.71Å; I28-L176 HydrophobicContact CG1-CD1 3.77Å; I28-L176 HydrophobicContact CG2-CD1 3.48Å; I28-L176 VanDerWaalsContact CG2-CD1 3.48Å; I28-L176 HydrophobicContact CG2-CD2 4.35Å; I28-L176 HydrophobicContact CG2-CG 3.99Å
29Y96Very high91.9Very high15 Ų1540.2 Ų40.26%0.05919%0.185CC..EExtended strand (participates in β ladder)trans-125.8129.7177.3-63.9-102.5000109.9I16 F17 K18 T27 G47 V48 L50 L115 F379I16-Y29 HydrophobicContact CG2-CD1 4.11Å; F17-Y29 CarbonylContact O-C 3.49Å; F17-Y29 VanDerWaalsContact O-CA 3.31Å; F17-Y29 WeakPolarHBondContact O-CA 3.3Å; K18-Y29 HydrophobicContact CB-CD1 3.61Å; K18-Y29 HydrophobicContact CB-CE1 3.64Å; K18-Y29 HydrophobicContact CB-CG 4.2Å; K18-Y29 HydrophobicContact CD-CE1 3.83Å; K18-Y29 HydrophobicContact CG-CE1 4.35Å; T27-Y29 HydrophobicContact CG2-CD2 4.23Å; T27-Y29 HydrophobicContact CG2-CE2 3.47Å; T27-Y29 VanDerWaalsContact CG2-CE2 3.47Å; Y29-G47 WeakPolarHBondContact O-CA 3.24Å; Y29-V48 HydrophobicContact CD2-CG2 4.12Å; Y29-V48 HydrophobicContact CG-CG2 4.21Å; Y29-V48 PolarHBondContact N-O 2.86Å; Y29-V48 PolarHBondContact O-N 3.45Å; Y29-V48 VanDerWaalsContact O-N 3.09Å; Y29-L50 HydrophobicContact CE2-CB 3.85Å; Y29-L50 HydrophobicContact CE2-CD2 4.44Å; Y29-L115 HydrophobicContact CD1-CD1 4.14Å; Y29-L115 HydrophobicContact CD2-CD1 3.85Å; Y29-L115 HydrophobicContact CE1-CD1 4.06Å; Y29-L115 HydrophobicContact CE1-CD2 3.96Å; Y29-L115 HydrophobicContact CE2-CD1 3.8Å; Y29-L115 HydrophobicContact CE2-CD2 4.42Å; Y29-L115 HydrophobicContact CG-CD1 4.04Å; Y29-F379 HydrophobicContact CD1-CD1 4.03Å; Y29-F379 AromaticContact CD1-CE1 3.89Å; Y29-F379 HydrophobicContact CD1-CE1 3.89Å; Y29-F379 AromaticContact CE1-CD1 3.94Å; Y29-F379 HydrophobicContact CE1-CD1 3.94Å; Y29-F379 AromaticContact CE1-CE1 3.87Å; Y29-F379 HydrophobicContact CE1-CE1 3.87Å; Y29-F379 HydrophobicContact CE1-CG 4.46Å; Y29-F379 HydrophobicContact CE1-CZ 4.27Å
30L94.8Very high91.2Very high0 Ų040.5 Ų40.50%020%0.196CC..EExtended strand (participates in β ladder)trans-126.8142.4175.3-67.2-176.4000109.9F17 V45 F122 L176 I178 F382F17-L30 PolarHBondContact N-O 3.4Å; F17-L30 PolarHBondContact O-N 3.4Å; L30-V45 HydrophobicContact CD2-CG1 3.75Å; L30-F122 HydrophobicContact CD2-CE2 4.25Å; L30-F122 HydrophobicContact CD2-CZ 3.67Å; L30-L176 HydrophobicContact CD1-CD1 3.59Å; L30-L176 HydrophobicContact CG-CD1 3.96Å; L30-I178 HydrophobicContact CD1-CG2 3.86Å; L30-F382 HydrophobicContact CD1-CE2 3.99Å
31G89.9Confident90.7Very high6 Ų642.7 Ų42.76%0.06221%0.205CC..SBendtrans-72.8-28.2174.200000113.4
32K90.8Very high90.4Very high55 Ų5543.5 Ų43.524%0.23921%0.209CC..  trans-141152.6-170.3-58.1-178.9-179.7-1790110.6Y35 E370K32-Y35 PolarHBondContact O-OH 2.58Å; K32-E370 VanDerWaalsContact NZ-CD 3.31Å; K32-E370 IonicContact NZ-OE1 3.57Å; K32-E370 PolarHBondContact NZ-OE1 3.37Å; K32-E370 IonicContact NZ-OE2 2.66Å; K32-E370 PolarHBondContact NZ-OE2 3.15Å
33R91.3Very high90.4Very high29 Ų2936.4 Ų36.411%0.10918%0.184CC..SBendtrans-97.3-22.3170.6-54.9-172.1179142.9-7.4112.7F17 I178 R179 E381 F382 A383 R384F17-R33 HydrophobicContact CD1-CG 4.39Å; F17-R33 VanDerWaalsContact CD1-NH2 3.32Å; F17-R33 HydrophobicContact CD2-CG 3.76Å; F17-R33 HydrophobicContact CE1-CG 4.43Å; F17-R33 VanDerWaalsContact CE1-NH2 3.29Å; F17-R33 HydrophobicContact CE2-CG 3.81Å; F17-R33 HydrophobicContact CG-CG 4.05Å; F17-R33 HydrophobicContact CZ-CG 4.14Å; R33-I178 CarbonylContact O-C 3.29Å; R33-I178 WeakPolarHBondContact O-CA 3.44Å; R33-R179 PolarHBondContact O-N 3.33Å; R33-E381 PolarHBondContact NH2-O 3.38Å; R33-F382 HydrophobicContact CB-CE2 4.17Å; R33-F382 HydrophobicContact CB-CZ 4.16Å; R33-F382 HydrophobicContact CG-CD2 4.07Å; R33-F382 HydrophobicContact CG-CE2 3.65Å; R33-F382 HydrophobicContact CG-CZ 3.98Å; R33-F382 VanDerWaalsContact CZ-O 3.24Å; R33-F382 PolarHBondContact NE-O 3.2Å; R33-F382 VanDerWaalsContact NH2-C 3.35Å; R33-F382 PolarHBondContact NH2-O 2.76Å; R33-A383 PolarHBondContact NH2-O 2.89Å; R33-R384 PolarHBondContact O-NH2 3.12Å
34D91.3Very high90.5Very high52 Ų5236.5 Ų36.528%0.27819%0.187SC..EExtended strand (participates in β ladder)trans-120.7125.5-175.9-57.6-22.2000108.3R179 V181 R384D34-R179 CarbonylContact C-O 3.56Å; D34-R179 WeakPolarHBondContact CA-O 3.47Å; D34-R179 WeakPolarHBondContact OD1-CB 3.31Å; D34-R179 IonicContact OD1-CZ 3.86Å; D34-R179 IonicContact OD1-NE 3.57Å; D34-R179 PolarHBondContact OD1-NE 2.81Å; D34-R179 IonicContact OD1-NH2 3.37Å; D34-R179 PolarHBondContact OD1-NH2 3.06Å; D34-R179 IonicContact OD2-CZ 2.91Å; D34-R179 IonicContact OD2-NE 2.73Å; D34-R179 IonicContact OD2-NH2 2.85Å; D34-R179 PolarHBondContact OD2-NH2 2.91Å; D34-V181 HydrophobicContact CB-CG2 4.14Å; D34-R384 IonicContact OD1-CZ 2.67Å; D34-R384 VanDerWaalsContact OD1-CZ 3.32Å; D34-R384 IonicContact OD1-NH1 3.23Å; D34-R384 PolarHBondContact OD1-NH1 2.8Å; D34-R384 IonicContact OD1-NH2 3.52Å; D34-R384 PolarHBondContact OD1-NH2 2.92Å; D34-R384 IonicContact OD2-NH1 2.76Å
35Y92.4Very high90.6Very high7 Ų729.6 Ų29.63%0.02716%0.157CC..EExtended strand (participates in β ladder)trans-112.6128.2-178.3-69.3-88.9000109.2K32 Q43 P44 V45 F126 I178 R179 K180 V181K32-Y35 PolarHBondContact O-OH 2.58Å; Y35-Q43 HydrophobicContact CD1-CB 4.34Å; Y35-P44 WeakPolarHBondContact CD1-O 3.38Å; Y35-P44 VanDerWaalsContact CE1-O 3.24Å; Y35-P44 WeakPolarHBondContact CE1-O 3.29Å; Y35-V45 HydrophobicContact CD1-CG2 4.44Å; Y35-V45 HydrophobicContact CD2-CG2 4.36Å; Y35-V45 VanDerWaalsContact CE1-CA 3.49Å; Y35-V45 HydrophobicContact CE1-CB 4.25Å; Y35-V45 HydrophobicContact CE1-CG1 4.46Å; Y35-V45 HydrophobicContact CE1-CG2 4.24Å; Y35-V45 HydrophobicContact CE2-CG1 4.33Å; Y35-V45 HydrophobicContact CE2-CG2 4.13Å; Y35-V45 WeakPolarHBondContact OH-CG1 3.3Å; Y35-F126 HydrophobicContact CG-CE2 4.46Å; Y35-I178 HydrophobicContact CD2-CB 4.09Å; Y35-I178 HydrophobicContact CD2-CD1 3.76Å; Y35-I178 HydrophobicContact CD2-CG1 4.46Å; Y35-I178 HydrophobicContact CD2-CG2 4.46Å; Y35-I178 HydrophobicContact CE2-CB 4.03Å; Y35-I178 HydrophobicContact CE2-CD1 3.86Å; Y35-I178 HydrophobicContact CE2-CG2 3.88Å; Y35-R179 PolarHBondContact N-O 2.92Å; Y35-K180 WeakPolarHBondContact O-CA 3.36Å; Y35-V181 PolarHBondContact O-N 2.68Å
36I90.6Very high90.6Very high20 Ų2030.6 Ų30.610%0.10316%0.163CC..EExtended strand (participates in β ladder)trans-86.9131.1-169.2-60.7153.8000110.4H38 Q43 V181 H183 P364I36-H38 VanDerWaalsContact CG2-CE1 3.47Å; I36-H38 WeakPolarHBondContact CG2-CE1 3.39Å; I36-Q43 HydrophobicContact CB-CG 4.23Å; I36-Q43 PolarHBondContact O-N 2.93Å; I36-V181 WeakPolarHBondContact CA-O 3.22Å; I36-H183 HydrophobicContact CG2-CB 3.97Å; I36-P364 HydrophobicContact CD1-CB 4.36Å; I36-P364 HydrophobicContact CD1-CG 3.35Å; I36-P364 HydrophobicContact CG1-CG 4.45Å
37D89.7Confident90.6Very high14 Ų1430.6 Ų30.68%0.07516%0.163CC..EExtended strand (participates in β ladder)trans-96.9114.9168-177.6-2.5000109.7V39 V42 K180 V181 Q182 H183D37-V39 WeakPolarHBondContact OD1-CA 3.48Å; D37-V39 PolarHBondContact OD1-N 3.04Å; D37-V42 HydrophobicContact CB-CG1 4.46Å; D37-V42 HydrophobicContact CB-CG2 4.27Å; D37-K180 HydrophobicContact CB-CG 4.28Å; D37-K180 WeakPolarHBondContact OD2-CE 3.31Å; D37-K180 IonicContact OD2-NZ 3.72Å; D37-K180 PolarHBondContact OD2-NZ 2.55Å; D37-V181 PolarHBondContact N-O 3.45Å; D37-Q182 HydrophobicContact CB-CG 4.33Å; D37-H183 PolarHBondContact O-N 3.09Å
38H82.9Confident90.5Very high57 Ų5730 Ų3026%0.26416%0.159SC..  trans-94.914.5178.9-62.3-79000113.2I36 S40 Q41I36-H38 VanDerWaalsContact CG2-CE1 3.47Å; I36-H38 WeakPolarHBondContact CG2-CE1 3.39Å; H38-S40 PolarHBondContact O-N 2.9Å; H38-Q41 WeakPolarHBondContact CB-O 3.47Å; H38-Q41 PolarHBondContact N-O 3.31Å
39V79.1Confident90.5Very high35 Ų3530 Ų3021%0.21216%0.159CC..SBendtrans68.9-45.6-173.1-171.30000113.3D37 I315D37-V39 WeakPolarHBondContact OD1-CA 3.48Å; D37-V39 PolarHBondContact OD1-N 3.04Å; V39-I315 HydrophobicContact CG1-CG2 3.91Å; V39-I315 HydrophobicContact CG2-CB 3.98Å; V39-I315 HydrophobicContact CG2-CD1 4.01Å; V39-I315 HydrophobicContact CG2-CG2 3.94Å
40S80.1Confident90.6Very high78 Ų7831.6 Ų31.655%0.54517%0.168SC..SBendtrans-75.5-43.6177.458.80000112.3H38 K317H38-S40 PolarHBondContact O-N 2.9Å; S40-K317 PolarHBondContact O-NZ 2.87Å
41Q82.8Confident90.6Very high132 Ų13231.8 Ų31.862%0.61717%0.169SC*.  trans-147.6154.2-178.764.1-177.5-5.900110.6H38H38-Q41 WeakPolarHBondContact CB-O 3.47Å; H38-Q41 PolarHBondContact N-O 3.31Å
42V89.6Confident90.8Very high21 Ų2134.2 Ų34.213%0.12718%0.181CC..BIsolated β-bridgetrans-111137.9176.2-171.40000109D37 F126 K180D37-V42 HydrophobicContact CB-CG1 4.46Å; D37-V42 HydrophobicContact CB-CG2 4.27Å; V42-F126 HydrophobicContact CB-CB 3.92Å; V42-F126 HydrophobicContact CB-CD2 4.09Å; V42-F126 HydrophobicContact CB-CG 4.3Å; V42-F126 HydrophobicContact CG1-CB 3.94Å; V42-F126 HydrophobicContact CG1-CD2 3.46Å; V42-F126 VanDerWaalsContact CG1-CD2 3.46Å; V42-F126 HydrophobicContact CG1-CE2 4.11Å; V42-F126 HydrophobicContact CG1-CG 3.8Å; V42-F126 HydrophobicContact CG2-CB 4.19Å; V42-K180 HydrophobicContact CG1-CD 4.27Å; V42-K180 HydrophobicContact CG1-CG 4.44Å
43Q91.3Very high90.8Very high35 Ų3534 Ų3416%0.16419%0.185CC..  trans-60.2124.3174-69.9-177.2-1400110.2Y35 I36 F126Y35-Q43 HydrophobicContact CD1-CB 4.34Å; I36-Q43 HydrophobicContact CB-CG 4.23Å; I36-Q43 PolarHBondContact O-N 2.93Å; Q43-F126 WeakPolarHBondContact O-CD2 3.36Å; Q43-F126 VanDerWaalsContact O-CE2 3.22Å; Q43-F126 WeakPolarHBondContact O-CE2 3.47Å
44P93.6Very high90.8Very high50 Ų5039.3 Ų39.333%0.32522%0.216SC..  trans-70.6154.3-179.930.3-35.6000111.4Y35 D46 L123 L124 T125Y35-P44 WeakPolarHBondContact CD1-O 3.38Å; Y35-P44 VanDerWaalsContact CE1-O 3.24Å; Y35-P44 WeakPolarHBondContact CE1-O 3.29Å; P44-D46 PolarHBondContact O-N 3.44Å; P44-D46 VanDerWaalsContact O-N 3.13Å; P44-L123 HydrophobicContact CB-CD1 3.78Å; P44-L123 HydrophobicContact CB-CG 4.16Å; P44-L123 HydrophobicContact CG-CD1 3.88Å; P44-L124 CarbonylContact C-O 3.58Å; P44-L124 WeakPolarHBondContact CA-O 3.26Å; P44-L124 WeakPolarHBondContact CB-O 3.49Å; P44-T125 HydrophobicContact CB-CG2 4.16Å
45V95.1Very high90.8Very high0 Ų040.8 Ų40.80%022%0.223CC..EExtended strand (participates in β ladder)trans-74.8102.4171.1-174.70000108.7L30 Y35 L65 F122 L123 L124 F126 V153 I178L30-V45 HydrophobicContact CD2-CG1 3.75Å; Y35-V45 HydrophobicContact CD1-CG2 4.44Å; Y35-V45 HydrophobicContact CD2-CG2 4.36Å; Y35-V45 VanDerWaalsContact CE1-CA 3.49Å; Y35-V45 HydrophobicContact CE1-CB 4.25Å; Y35-V45 HydrophobicContact CE1-CG1 4.46Å; Y35-V45 HydrophobicContact CE1-CG2 4.24Å; Y35-V45 HydrophobicContact CE2-CG1 4.33Å; Y35-V45 HydrophobicContact CE2-CG2 4.13Å; Y35-V45 WeakPolarHBondContact OH-CG1 3.3Å; V45-L65 HydrophobicContact CG2-CD1 4.42Å; V45-L65 HydrophobicContact CG2-CD2 4.38Å; V45-F122 HydrophobicContact CG1-CE2 4.09Å; V45-L123 WeakPolarHBondContact O-CA 3.32Å; V45-L124 HydrophobicContact CB-CB 4.17Å; V45-L124 PolarHBondContact N-O 2.86Å; V45-L124 PolarHBondContact O-N 2.83Å; V45-F126 HydrophobicContact CG2-CE2 3.59Å; V45-F126 HydrophobicContact CG2-CZ 3.44Å; V45-F126 VanDerWaalsContact CG2-CZ 3.44Å; V45-V153 HydrophobicContact CG1-CG2 3.92Å; V45-V153 HydrophobicContact CG2-CG2 4.43Å; V45-I178 HydrophobicContact CG2-CD1 3.57Å
46D93.4Very high90.7Very high25 Ų2540.5 Ų40.513%0.13422%0.222CC..EExtended strand (participates in β ladder)trans-99.8129.3175.3-176.714.8000111P44 T105 Q108 L123P44-D46 PolarHBondContact O-N 3.44Å; P44-D46 VanDerWaalsContact O-N 3.13Å; D46-T105 PolarHBondContact OD1-OG1 3.1Å; D46-T105 VanDerWaalsContact OD2-CB 3.23Å; D46-T105 WeakPolarHBondContact OD2-CB 3.39Å; D46-T105 VanDerWaalsContact OD2-CG2 3.27Å; D46-T105 WeakPolarHBondContact OD2-CG2 3.49Å; D46-T105 PolarHBondContact OD2-OG1 3.01Å; D46-Q108 WeakPolarHBondContact OD1-CG 3.24Å; D46-Q108 PolarHBondContact OD1-NE2 3.25Å; D46-L123 HydrophobicContact CB-CD1 3.94Å
47G94.5Very high90.7Very high0 Ų047.7 Ų47.70%025%0.253CS..EExtended strand (participates in β ladder)trans-167.6-179.1178.600000114.3Y29 F122Y29-G47 WeakPolarHBondContact O-CA 3.24Å; G47-F122 PolarHBondContact N-O 2.76Å; G47-F122 WeakPolarHBondContact O-CD1 3.36Å; G47-F122 PolarHBondContact O-N 2.98Å
48V95.8Very high90.5Very high0 Ų050.8 Ų50.80%029%0.287CS..EExtended strand (participates in β ladder)trans-132.1154.6172.8-54.90000110.8Y29 Q108 L111 L115 T119 Y120 P121Y29-V48 HydrophobicContact CD2-CG2 4.12Å; Y29-V48 HydrophobicContact CG-CG2 4.21Å; Y29-V48 PolarHBondContact N-O 2.86Å; Y29-V48 PolarHBondContact O-N 3.45Å; Y29-V48 VanDerWaalsContact O-N 3.09Å; V48-Q108 HydrophobicContact CG1-CB 4.31Å; V48-Q108 HydrophobicContact CG1-CG 4.09Å; V48-L111 HydrophobicContact CG1-CB 4.07Å; V48-L111 HydrophobicContact CG1-CD1 4.24Å; V48-L111 HydrophobicContact CG2-CB 3.94Å; V48-L111 HydrophobicContact CG2-CD1 3.92Å; V48-L111 HydrophobicContact CG2-CG 4.48Å; V48-L115 HydrophobicContact CG2-CD1 3.79Å; V48-T119 HydrophobicContact CB-CG2 3.66Å; V48-T119 HydrophobicContact CG1-CG2 4.24Å; V48-T119 HydrophobicContact CG2-CG2 3.57Å; V48-Y120 CarbonylContact C-O 3.46Å; V48-Y120 WeakPolarHBondContact CA-O 3.22Å; V48-P121 HydrophobicContact CG1-CB 4.46Å
49V96.7Very high90.9Very high0 Ų050.5 Ų50.50%029%0.286CS..EExtended strand (participates in β ladder)trans-116125.2171.9-177.10000108.9V26 T27 V51 V61 V63 V94 T119 Y120 F122 A155V26-V49 HydrophobicContact CG1-CG1 3.61Å; T27-V49 CarbonylContact O-C 3.55Å; T27-V49 WeakPolarHBondContact O-CA 3.41Å; V49-V51 HydrophobicContact CG1-CG2 3.94Å; V49-V61 HydrophobicContact CG1-CG1 4.23Å; V49-V63 HydrophobicContact CG2-CG2 3.56Å; V49-V94 HydrophobicContact CB-CG1 4.08Å; V49-V94 HydrophobicContact CG2-CG1 4.28Å; V49-T119 WeakPolarHBondContact O-CA 3.38Å; V49-Y120 PolarHBondContact N-O 3.4Å; V49-Y120 PolarHBondContact O-N 3.14Å; V49-F122 HydrophobicContact CG2-CD1 3.81Å; V49-F122 HydrophobicContact CG2-CE1 3.82Å; V49-A155 HydrophobicContact CG2-CB 4.34Å
50L96.4Very high91.5Very high47 Ų4752.4 Ų52.425%0.24629%0.291CS..EExtended strand (participates in β ladder)trans-90.1126.2167.7176.869.1000108.5T27 Y29 N118T27-L50 PolarHBondContact N-O 2.88Å; T27-L50 PolarHBondContact O-N 3.45Å; Y29-L50 HydrophobicContact CE2-CB 3.85Å; Y29-L50 HydrophobicContact CE2-CD2 4.44Å; L50-N118 HydrophobicContact CD1-CB 4.3Å
51V95.9Very high92.1Very high4 Ų448.7 Ų48.72%0.02427%0.265CS..EExtended strand (participates in β ladder)trans-115.3135.4-175.9-179.30000109.6V49 P53 V56 V61 N118 Y120V49-V51 HydrophobicContact CG1-CG2 3.94Å; V51-P53 WeakPolarHBondContact O-CD 3.39Å; V51-V56 HydrophobicContact CG1-CB 3.7Å; V51-V56 HydrophobicContact CG1-CG1 3.8Å; V51-V56 HydrophobicContact CG1-CG2 3.73Å; V51-V61 HydrophobicContact CG1-CG2 4.15Å; V51-V61 HydrophobicContact CG2-CG2 4.04Å; V51-N118 PolarHBondContact N-O 2.69Å; V51-N118 VanDerWaalsContact O-CB 3.27Å; V51-N118 WeakPolarHBondContact O-CB 3.36Å; V51-Y120 HydrophobicContact CB-CD2 4.41Å; V51-Y120 HydrophobicContact CB-CE2 4.26Å; V51-Y120 HydrophobicContact CG2-CD2 3.96Å; V51-Y120 HydrophobicContact CG2-CE2 4.27Å
52D94.6Very high92.6Very high57 Ų5743.5 Ų43.531%0.30524%0.24SC..  trans-83.7111.7168.8-171.1-44.5000109.7S25 D54 L55 V56S25-D52 PolarHBondContact O-N 3.41Å; D52-D54 VanDerWaalsContact C-N 3.25Å; D52-D54 PolarHBondContact O-N 3.22Å; D52-D54 WeakPolarHBondContact OD1-CB 3.34Å; D52-D54 PolarHBondContact OD1-N 3.2Å; D52-L55 HydrophobicContact CB-CB 4.16Å; D52-L55 HydrophobicContact CB-CD1 4.09Å; D52-L55 HydrophobicContact CB-CG 4.23Å; D52-L55 PolarHBondContact O-N 2.9Å; D52-L55 PolarHBondContact OD1-N 2.98Å; D52-V56 VanDerWaalsContact O-CB 3.3Å; D52-V56 WeakPolarHBondContact O-CB 3.42Å; D52-V56 VanDerWaalsContact O-CG2 3.29Å; D52-V56 WeakPolarHBondContact O-CG2 3.3Å; D52-V56 PolarHBondContact O-N 2.86Å
53P90.7Very high92.9Very high52 Ų5242.5 Ų42.534%0.33823%0.234SC..THydrogen-bonded Turntrans-66.6-25.7-175.428.4-35.3000113.3V51 K57 N118V51-P53 WeakPolarHBondContact O-CD 3.39Å; P53-K57 PolarHBondContact O-N 2.8Å; P53-N118 WeakPolarHBondContact CD-ND2 3.42Å
54D91.4Very high93.1Very high140 Ų14040.9 Ų40.975%0.74923%0.226SC*.THydrogen-bonded Turntrans-76.7-39.4-179.1-66.7-35.4000110.5D52D52-D54 VanDerWaalsContact C-N 3.25Å; D52-D54 PolarHBondContact O-N 3.22Å; D52-D54 WeakPolarHBondContact OD1-CB 3.34Å; D52-D54 PolarHBondContact OD1-N 3.2Å
55L90.5Very high93.2Very high83 Ų8338.5 Ų38.544%0.43521%0.211SC..THydrogen-bonded Turntrans-81.7-24.8-179.4-60.5177.7000113.9D52 K59D52-L55 HydrophobicContact CB-CB 4.16Å; D52-L55 HydrophobicContact CB-CD1 4.09Å; D52-L55 HydrophobicContact CB-CG 4.23Å; D52-L55 PolarHBondContact O-N 2.9Å; D52-L55 PolarHBondContact OD1-N 2.98Å; L55-K59 PolarHBondContact O-NZ 3.44Å
56V90.2Very high93.1Very high0 Ų038.6 Ų38.60%021%0.212CC..SBendtrans-105.611.5-176-171.50000111.7V51 D52 G58 K59 V61 Y95 A157V51-V56 HydrophobicContact CG1-CB 3.7Å; V51-V56 HydrophobicContact CG1-CG1 3.8Å; V51-V56 HydrophobicContact CG1-CG2 3.73Å; D52-V56 VanDerWaalsContact O-CB 3.3Å; D52-V56 WeakPolarHBondContact O-CB 3.42Å; D52-V56 VanDerWaalsContact O-CG2 3.29Å; D52-V56 WeakPolarHBondContact O-CG2 3.3Å; D52-V56 PolarHBondContact O-N 2.86Å; V56-G58 PolarHBondContact O-N 2.9Å; V56-K59 HydrophobicContact CG1-CB 3.85Å; V56-K59 WeakPolarHBondContact O-CB 3.34Å; V56-K59 PolarHBondContact O-N 3.03Å; V56-V61 HydrophobicContact CG1-CG2 3.51Å; V56-Y95 HydrophobicContact CG1-CD1 4.1Å; V56-Y95 HydrophobicContact CG1-CE1 4.24Å; V56-A157 HydrophobicContact CG1-CB 4.15Å; V56-A157 HydrophobicContact CG2-CB 4.31Å
57K89.9Confident93.1Very high172 Ų17237.4 Ų37.475%0.74821%0.205SC*.THydrogen-bonded Turntrans-56.9122.2178.1-168.6175.3-176.8176.40111.8P53 K59P53-K57 PolarHBondContact O-N 2.8Å; K57-K59 PolarHBondContact O-N 2.96Å
58G86.2Confident92.9Very high78 Ų7837.5 Ų37.580%0.80421%0.206SC*.THydrogen-bonded Turntrans77.52.2-178.900000114.8V56V56-G58 PolarHBondContact O-N 2.9Å
59K90.9Very high92.6Very high52 Ų5237.8 Ų37.823%0.22621%0.207CC..  trans-102164.5179.7-44.2-162.2175.3157.90111.4L55 V56 K57 A157 T158 D159L55-K59 PolarHBondContact O-NZ 3.44Å; V56-K59 HydrophobicContact CG1-CB 3.85Å; V56-K59 WeakPolarHBondContact O-CB 3.34Å; V56-K59 PolarHBondContact O-N 3.03Å; K57-K59 PolarHBondContact O-N 2.96Å; K59-A157 HydrophobicContact CD-CB 4.49Å; K59-T158 WeakPolarHBondContact CB-O 3.39Å; K59-D159 WeakPolarHBondContact CD-OD1 3.49Å; K59-D159 WeakPolarHBondContact CE-OD1 3.22Å; K59-D159 WeakPolarHBondContact CG-OD1 3.47Å
60K91.8Very high92.1Very high74 Ų7439.2 Ų39.232%0.32221%0.212SC..EExtended strand (participates in β ladder)trans-110.8141.6171.3-59-177.8-172.7173.50110.2Y62 Y95 A157 T158K60-Y62 HydrophobicContact CB-CD2 4.33Å; K60-Y62 HydrophobicContact CB-CE2 3.55Å; K60-Y62 HydrophobicContact CD-CE2 4.26Å; K60-Y62 WeakPolarHBondContact CD-OH 3.29Å; K60-Y95 CarbonylContact C-O 3.56Å; K60-Y95 VanDerWaalsContact CA-O 3.3Å; K60-Y95 WeakPolarHBondContact CA-O 3.3Å; K60-A157 CarbonylContact O-C 3.56Å; K60-A157 VanDerWaalsContact O-CA 3.31Å; K60-A157 WeakPolarHBondContact O-CA 3.34Å; K60-T158 PolarHBondContact N-O 2.87Å; K60-T158 PolarHBondContact O-N 2.98Å
61V93.5Very high91.3Very high0 Ų042.8 Ų42.80%022%0.223CC..EExtended strand (participates in β ladder)trans-109.2127174.8-173.10000109.2V26 V49 V51 V56 V94 Y95 F156 A157V26-V61 HydrophobicContact CG1-CG1 4.39Å; V26-V61 HydrophobicContact CG2-CG1 4.34Å; V49-V61 HydrophobicContact CG1-CG1 4.23Å; V51-V61 HydrophobicContact CG1-CG2 4.15Å; V51-V61 HydrophobicContact CG2-CG2 4.04Å; V56-V61 HydrophobicContact CG1-CG2 3.51Å; V61-V94 PolarHBondContact O-N 2.77Å; V61-Y95 HydrophobicContact CG2-CD1 4.22Å; V61-Y95 HydrophobicContact CG2-CG 4.48Å; V61-Y95 PolarHBondContact N-O 2.9Å; V61-Y95 PolarHBondContact O-N 2.81Å; V61-F156 WeakPolarHBondContact CA-O 3.3Å; V61-A157 HydrophobicContact CG2-CB 4.17Å
62Y93.8Very high90Very high24 Ų2443 Ų439%0.09423%0.226CC..EExtended strand (participates in β ladder)trans-117.6153.8176.2-64-85.4000110.3K60 R91 V92 Q93 A155 F156 T158K60-Y62 HydrophobicContact CB-CD2 4.33Å; K60-Y62 HydrophobicContact CB-CE2 3.55Å; K60-Y62 HydrophobicContact CD-CE2 4.26Å; K60-Y62 WeakPolarHBondContact CD-OH 3.29Å; Y62-R91 HydrophobicContact CD1-CG 3.91Å; Y62-R91 HydrophobicContact CG-CG 4.34Å; Y62-V92 WeakPolarHBondContact CA-O 3.34Å; Y62-Q93 HydrophobicContact CD1-CB 3.81Å; Y62-Q93 HydrophobicContact CD1-CG 4.13Å; Y62-Q93 HydrophobicContact CE1-CB 3.56Å; Y62-Q93 HydrophobicContact CE1-CG 3.71Å; Y62-Q93 PolarHBondContact OH-OE1 2.86Å; Y62-A155 VanDerWaalsContact O-CA 3.29Å; Y62-A155 WeakPolarHBondContact O-CA 3.31Å; Y62-F156 HydrophobicContact CD2-CE2 4.01Å; Y62-F156 HydrophobicContact CD2-CZ 4.33Å; Y62-F156 HydrophobicContact CG-CE2 4.46Å; Y62-F156 HydrophobicContact CG-CZ 4.35Å; Y62-F156 PolarHBondContact N-O 3.18Å; Y62-F156 PolarHBondContact O-N 2.96Å; Y62-T158 HydrophobicContact CD2-CG2 3.97Å; Y62-T158 HydrophobicContact CE2-CG2 3.8Å
63V95.1Very high88.5Confident0 Ų043.5 Ų43.50%023%0.227CC..EExtended strand (participates in β ladder)trans-122.2132.4165.3-173.20000108.3I28 V49 R91 V92 V94 F122 L124 V153 K154 A155I28-V63 HydrophobicContact CD1-CG1 4.41Å; V49-V63 HydrophobicContact CG2-CG2 3.56Å; V63-R91 WeakPolarHBondContact O-CA 3.45Å; V63-V92 PolarHBondContact N-O 2.87Å; V63-V92 PolarHBondContact O-N 2.88Å; V63-V94 HydrophobicContact CB-CG2 4.19Å; V63-V94 HydrophobicContact CG2-CB 4.47Å; V63-V94 HydrophobicContact CG2-CG2 3.52Å; V63-F122 HydrophobicContact CB-CD2 4.33Å; V63-F122 HydrophobicContact CB-CG 4.34Å; V63-F122 HydrophobicContact CG1-CD2 3.93Å; V63-F122 HydrophobicContact CG1-CE2 3.82Å; V63-F122 HydrophobicContact CG1-CG 4.33Å; V63-F122 HydrophobicContact CG1-CZ 4.12Å; V63-F122 HydrophobicContact CG2-CD1 4.08Å; V63-F122 HydrophobicContact CG2-CE1 4.39Å; V63-F122 HydrophobicContact CG2-CG 4.17Å; V63-L124 HydrophobicContact CG1-CD1 3.78Å; V63-V153 HydrophobicContact CG1-CG1 3.88Å; V63-K154 CarbonylContact C-O 3.59Å; V63-K154 VanDerWaalsContact CA-O 3.3Å; V63-K154 WeakPolarHBondContact CA-O 3.34Å; V63-A155 HydrophobicContact CG2-CB 3.93Å
64T94.6Very high86.8Confident0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-116.2149.217761.20000111.3F89 S90 R91 V153 K154 F156T64-F89 HydrophobicContact CG2-CE2 3.79Å; T64-F89 HydrophobicContact CG2-CZ 3.62Å; T64-S90 CarbonylContact C-O 3.57Å; T64-S90 WeakPolarHBondContact CA-O 3.25Å; T64-S90 WeakPolarHBondContact CB-O 3.44Å; T64-R91 HydrophobicContact CG2-CB 3.9Å; T64-R91 HydrophobicContact CG2-CG 3.73Å; T64-V153 VanDerWaalsContact O-CA 3.32Å; T64-V153 WeakPolarHBondContact O-CA 3.5Å; T64-K154 PolarHBondContact N-O 3.5Å; T64-K154 PolarHBondContact O-N 2.85Å; T64-K154 PolarHBondContact OG1-O 2.78Å; T64-F156 HydrophobicContact CG2-CE1 3.8Å; T64-F156 HydrophobicContact CG2-CZ 4.46Å
65L95.6Very high84.8Confident0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-116.7114.8165.2172.762.5000107.6V45 Y88 F89 S90 L124 F126 F151 E152 V153 I178V45-L65 HydrophobicContact CG2-CD1 4.42Å; V45-L65 HydrophobicContact CG2-CD2 4.38Å; L65-Y88 HydrophobicContact CD2-CE1 3.98Å; L65-Y88 HydrophobicContact CG-CE1 4.21Å; L65-F89 WeakPolarHBondContact O-CA 3.47Å; L65-S90 PolarHBondContact N-O 3.02Å; L65-S90 PolarHBondContact O-N 2.82Å; L65-L124 HydrophobicContact CB-CB 4.04Å; L65-L124 HydrophobicContact CB-CD1 3.81Å; L65-L124 HydrophobicContact CB-CD2 4.37Å; L65-L124 HydrophobicContact CB-CG 4.27Å; L65-L124 HydrophobicContact CD2-CB 3.98Å; L65-F126 HydrophobicContact CD1-CE1 3.99Å; L65-F126 HydrophobicContact CD1-CZ 4.32Å; L65-F126 HydrophobicContact CD2-CD1 3.87Å; L65-F126 HydrophobicContact CD2-CE1 3.65Å; L65-F126 HydrophobicContact CD2-CE2 4.49Å; L65-F126 HydrophobicContact CD2-CG 4.38Å; L65-F126 HydrophobicContact CD2-CZ 3.99Å; L65-F126 HydrophobicContact CG-CE1 4.35Å; L65-F151 HydrophobicContact CD1-CD1 4.41Å; L65-E152 WeakPolarHBondContact CA-O 3.5Å; L65-V153 HydrophobicContact CD1-CG2 4.12Å; L65-I178 HydrophobicContact CD1-CD1 4.03Å
66T93.6Very high82.6Confident3 Ų345.4 Ų45.42%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-116.4127180-52.60000109.2Y88 F89 F151 E152T66-Y88 WeakPolarHBondContact CA-O 3.44Å; T66-F89 HydrophobicContact CG2-CD2 4.49Å; T66-F89 WeakPolarHBondContact OG1-CD2 3.16Å; T66-F151 CarbonylContact O-C 3.59Å; T66-F151 WeakPolarHBondContact O-CA 3.46Å; T66-E152 PolarHBondContact N-O 2.95Å; T66-E152 PolarHBondContact O-N 3.09Å
67C93.9Very high80.2Confident0 Ų053 Ų530%027%0.271CS..EExtended strand (participates in β ladder)trans-105.6118.9167.6-179.90000107.4D86 L87 Y88 L130 V149 D150 F151C67-D86 CarbonylContact O-C 3.49Å; C67-L87 HydrophobicContact CB-CB 4.46Å; C67-L87 PolarHBondContact O-N 2.76Å; C67-Y88 PolarHBondContact N-O 2.86Å; C67-Y88 PolarHBondContact O-N 2.97Å; C67-L130 HydrophobicContact CB-CD1 4.24Å; C67-V149 VanDerWaalsContact SG-CG1 3.59Å; C67-D150 WeakPolarHBondContact CA-O 3.48Å; C67-F151 HydrophobicContact CB-CD1 3.84Å; C67-F151 HydrophobicContact CB-CE1 3.62Å; C67-F151 HydrophobicContact CB-CZ 4.2Å; C67-F151 VanDerWaalsContact SG-CE1 3.56Å; C67-F151 WeakPolarHBondContact SG-CZ 3.27Å
68A90.8Very high77.9Confident1 Ų150.5 Ų50.51%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-126.7142.7-178.100000110.9R70 R84 R85 D86 V149 D150A68-R70 HydrophobicContact CB-CG 4.5Å; A68-R84 HydrophobicContact CB-CG 4.25Å; A68-R85 WeakPolarHBondContact CA-O 3.49Å; A68-D86 WeakPolarHBondContact CB-OD1 3.49Å; A68-V149 VanDerWaalsContact O-CA 3.31Å; A68-V149 WeakPolarHBondContact O-CA 3.49Å; A68-D150 PolarHBondContact N-O 2.67Å; A68-D150 PolarHBondContact O-N 2.91Å
69F89.4Confident76Confident6 Ų654.6 Ų54.63%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-90.5121.7161.9-174.3-80000107.9F83 R84 R85 L87 G148 V149 V251 L253 I327F69-F83 HydrophobicContact CD1-CD1 4.18Å; F69-F83 HydrophobicContact CD1-CE1 4.04Å; F69-R84 CarbonylContact O-C 3.55Å; F69-R84 WeakPolarHBondContact O-CA 3.48Å; F69-R85 PolarHBondContact N-O 3.15Å; F69-R85 PolarHBondContact O-N 3.23Å; F69-L87 HydrophobicContact CB-CD1 4.3Å; F69-L87 HydrophobicContact CB-CD2 4.32Å; F69-L87 HydrophobicContact CB-CG 4.33Å; F69-G148 WeakPolarHBondContact CA-O 3.45Å; F69-V149 HydrophobicContact CD2-CG2 3.82Å; F69-V251 HydrophobicContact CE2-CG1 3.91Å; F69-V251 HydrophobicContact CZ-CG1 3.73Å; F69-L253 HydrophobicContact CB-CD1 3.92Å; F69-L253 HydrophobicContact CD1-CD1 4.07Å; F69-L253 HydrophobicContact CD1-CD2 3.84Å; F69-L253 HydrophobicContact CD2-CD1 4.15Å; F69-L253 HydrophobicContact CE1-CD2 3.94Å; F69-L253 HydrophobicContact CG-CD1 3.78Å; F69-L253 HydrophobicContact CG-CD2 4.4Å; F69-I327 HydrophobicContact CE2-CD1 4.34Å; F69-I327 HydrophobicContact CE2-CG1 3.9Å
70R86.4Confident74.1Confident31 Ų3154.5 Ų54.512%0.11729%0.286CS..EExtended strand (participates in β ladder)trans-114141.7177.4-61.1-174.2-165.1-139.30.7110.5A68 E74 F83 R84 C147 G148 D150A68-R70 HydrophobicContact CB-CG 4.5Å; R70-E74 IonicContact CZ-OE1 2.62Å; R70-E74 IonicContact NE-OE1 3.03Å; R70-E74 IonicContact NH1-OE1 3.66Å; R70-E74 PolarHBondContact NH1-OE1 2.82Å; R70-F83 CarbonylContact C-O 3.5Å; R70-F83 WeakPolarHBondContact CA-O 3.43Å; R70-R84 HydrophobicContact CG-CG 4.42Å; R70-C147 CarbonylContact O-C 3.55Å; R70-C147 VanDerWaalsContact O-CA 3.23Å; R70-C147 WeakPolarHBondContact O-CA 3.21Å; R70-G148 PolarHBondContact N-O 2.8Å; R70-G148 PolarHBondContact O-N 2.99Å; R70-D150 WeakPolarHBondContact CD-OD1 3.23Å; R70-D150 WeakPolarHBondContact CG-OD1 3.4Å; R70-D150 IonicContact CZ-OD1 3.2Å; R70-D150 IonicContact CZ-OD2 3.34Å; R70-D150 IonicContact NE-OD1 2.62Å; R70-D150 PolarHBondContact NE-OD1 3.49Å; R70-D150 IonicContact NE-OD2 2.96Å; R70-D150 PolarHBondContact NE-OD2 2.96Å; R70-D150 IonicContact NH2-OD2 3.41Å; R70-D150 PolarHBondContact NH2-OD2 2.89Å
71Y79Confident72.4Confident122 Ų12257.8 Ų57.848%0.47831%0.306SS..EExtended strand (participates in β ladder)trans-139.7129.6170.4175.6-87.8000109.3F83 S146 C147Y71-F83 PolarHBondContact N-O 2.79Å; Y71-F83 PolarHBondContact O-N 2.86Å; Y71-S146 CarbonylContact C-O 3.59Å; Y71-S146 VanDerWaalsContact CA-O 3.25Å; Y71-S146 WeakPolarHBondContact CA-O 3.48Å; Y71-C147 HydrophobicContact CD2-CB 3.83Å; Y71-C147 HydrophobicContact CE2-CB 4.46Å
72G68.8Low70.9Confident7 Ų760.6 Ų60.67%0.07233%0.329CS..EExtended strand (participates in β ladder)trans100.9-162.3179.300000113.1S146G72-S146 PolarHBondContact N-O 2.97Å; G72-S146 PolarHBondContact O-N 2.93Å
73Q62.5Low70Confident69 Ų6962.2 Ų62.232%0.32234%0.337SS..  trans-99136.8-176.4-173171.6-4.700110.1D75 I76 A82 G144Q73-D75 PolarHBondContact O-N 3.5Å; Q73-I76 HydrophobicContact CB-CD1 3.99Å; Q73-I76 HydrophobicContact CB-CG1 4.19Å; Q73-I76 HydrophobicContact CG-CG1 4.43Å; Q73-A82 WeakPolarHBondContact O-CB 3.48Å; Q73-G144 WeakPolarHBondContact CA-O 3.44Å
74E54.9Low69.5Low104 Ų10467.7 Ų67.749%0.48636%0.357SS..THydrogen-bonded Turntrans-67.9-19.4-175.7-70.9-171.4165.500114R70R70-E74 IonicContact CZ-OE1 2.62Å; R70-E74 IonicContact NE-OE1 3.03Å; R70-E74 IonicContact NH1-OE1 3.66Å; R70-E74 PolarHBondContact NH1-OE1 2.82Å
75D50.2Low69.1Low141 Ų14171.4 Ų71.475%0.75437%0.371SS*.THydrogen-bonded Turntrans-104.613.4-169-63.1-42.9000115.1Q73 D77Q73-D75 PolarHBondContact O-N 3.5Å; D75-D77 PolarHBondContact O-N 3.28Å
76I44.3Very low68.9Low69 Ų6974.8 Ų74.835%0.35439%0.389SS..  trans-100.878.6179.2-50176.7000109.7Q73 V78Q73-I76 HydrophobicContact CB-CD1 3.99Å; Q73-I76 HydrophobicContact CB-CG1 4.19Å; Q73-I76 HydrophobicContact CG-CG1 4.43Å; I76-V78 PolarHBondContact O-N 3.32Å; I76-V78 VanDerWaalsContact O-N 3.16Å
77D39.5Very low68.7Low160 Ų16075.9 Ų75.986%0.85640%0.395SS*.  trans-68.2103.4159.3-83-27.8000107.7D75D75-D77 PolarHBondContact O-N 3.28Å
78V41.1Very low68.7Low119 Ų11977.6 Ų77.672%0.72140%0.401SS*.SBendtrans94.6111.2171.8-168.90000116.5I76I76-V78 PolarHBondContact O-N 3.32Å; I76-V78 VanDerWaalsContact O-N 3.16Å
79I47.2Very low68.8Low164 Ų16481 Ų8184%0.84142%0.417SS*.SBendtrans63.488.1166.3-52.6163.8000116.3
80G50.2Low69Low51 Ų5182.1 Ų82.153%0.52643%0.425SS..SBendtrans162.144.2161.700000118.2
81L56.2Low69.3Low143 Ų14384.5 Ų84.575%0.74943%0.434SS*.  trans66.538.1169.9-68.2122.7000117.6F83L81-F83 PolarHBondContact O-N 2.76Å
82A62.8Low69.9Low58 Ų5881.1 Ų81.148%0.47943%0.426SS..  trans-75.4120.7155.800000108.5Q73Q73-A82 WeakPolarHBondContact O-CB 3.48Å
83F73.4Confident71Confident59 Ų5983.3 Ų83.326%0.25943%0.434SS..EExtended strand (participates in β ladder)trans-123.8128.7-179.6173.5-86.6000109.5F69 R70 Y71 L81 R85 L253 Y254F69-F83 HydrophobicContact CD1-CD1 4.18Å; F69-F83 HydrophobicContact CD1-CE1 4.04Å; R70-F83 CarbonylContact C-O 3.5Å; R70-F83 WeakPolarHBondContact CA-O 3.43Å; Y71-F83 PolarHBondContact N-O 2.79Å; Y71-F83 PolarHBondContact O-N 2.86Å; L81-F83 PolarHBondContact O-N 2.76Å; F83-R85 HydrophobicContact CE1-CB 3.6Å; F83-R85 HydrophobicContact CZ-CB 3.51Å; F83-R85 HydrophobicContact CZ-CG 4.44Å; F83-L253 HydrophobicContact CD1-CD2 4.16Å; F83-L253 HydrophobicContact CE1-CD2 3.29Å; F83-L253 HydrophobicContact CE1-CG 4.45Å; F83-L253 HydrophobicContact CZ-CD2 3.65Å; F83-Y254 HydrophobicContact CE1-CE2 4.34Å; F83-Y254 AromaticContact CE2-CE2 3.55Å; F83-Y254 HydrophobicContact CE2-CE2 3.55Å; F83-Y254 AromaticContact CE2-CZ 3.94Å; F83-Y254 WeakPolarHBondContact CE2-OH 3.47Å; F83-Y254 AromaticContact CZ-CE2 3.38Å; F83-Y254 HydrophobicContact CZ-CE2 3.38Å; F83-Y254 AromaticContact CZ-CZ 3.83Å; F83-Y254 WeakPolarHBondContact CZ-OH 3Å
84R84.5Confident72.4Confident115 Ų11580.3 Ų80.343%0.43442%0.42SS..EExtended strand (participates in β ladder)trans-132.9131.2173.4178177.6166.4-176.3-7.3108.8A68 F69 R70 D86A68-R84 HydrophobicContact CB-CG 4.25Å; F69-R84 CarbonylContact O-C 3.55Å; F69-R84 WeakPolarHBondContact O-CA 3.48Å; R70-R84 HydrophobicContact CG-CG 4.42Å; R84-D86 IonicContact CZ-OD1 2.97Å; R84-D86 IonicContact NE-OD1 2.75Å; R84-D86 PolarHBondContact NE-OD1 2.92Å; R84-D86 IonicContact NH2-OD1 2.82Å; R84-D86 PolarHBondContact NH2-OD1 3.2Å; R84-D86 IonicContact NH2-OD2 3.78Å
85R87.6Confident74.2Confident78 Ų7877.8 Ų77.829%0.29441%0.407SS..EExtended strand (participates in β ladder)trans-130.5119.6171.3179.9173-178.2-175.6-2.6109.6A68 F69 F83 L87 L253A68-R85 WeakPolarHBondContact CA-O 3.49Å; F69-R85 PolarHBondContact N-O 3.15Å; F69-R85 PolarHBondContact O-N 3.23Å; F83-R85 HydrophobicContact CE1-CB 3.6Å; F83-R85 HydrophobicContact CZ-CB 3.51Å; F83-R85 HydrophobicContact CZ-CG 4.44Å; R85-L87 HydrophobicContact CG-CD2 4.4Å; R85-L87 PolarHBondContact O-N 3.34Å; R85-L253 PolarHBondContact NH1-O 2.9Å
86D89.9Confident76.2Confident71 Ų7173.9 Ų73.938%0.3839%0.389SS..EExtended strand (participates in β ladder)trans-74.2119.8174.4-61.6-26.9000108.8C67 A68 R84C67-D86 CarbonylContact O-C 3.49Å; A68-D86 WeakPolarHBondContact CB-OD1 3.49Å; R84-D86 IonicContact CZ-OD1 2.97Å; R84-D86 IonicContact NE-OD1 2.75Å; R84-D86 PolarHBondContact NE-OD1 2.92Å; R84-D86 IonicContact NH2-OD1 2.82Å; R84-D86 PolarHBondContact NH2-OD1 3.2Å; R84-D86 IonicContact NH2-OD2 3.78Å
87L90.6Very high78.2Confident26 Ų2674.9 Ų74.914%0.13640%0.4CS..EExtended strand (participates in β ladder)trans-86.6-29.4178-56-176.5000110.9C67 F69 R85 P131 V149 L253 L325C67-L87 HydrophobicContact CB-CB 4.46Å; C67-L87 PolarHBondContact O-N 2.76Å; F69-L87 HydrophobicContact CB-CD1 4.3Å; F69-L87 HydrophobicContact CB-CD2 4.32Å; F69-L87 HydrophobicContact CB-CG 4.33Å; R85-L87 HydrophobicContact CG-CD2 4.4Å; R85-L87 PolarHBondContact O-N 3.34Å; L87-P131 HydrophobicContact CD1-CG 4.05Å; L87-V149 HydrophobicContact CD1-CG1 4.19Å; L87-V149 HydrophobicContact CD1-CG2 4.31Å; L87-L253 HydrophobicContact CD2-CD1 4.33Å; L87-L325 WeakPolarHBondContact CD1-O 3.27Å; L87-L325 HydrophobicContact CD2-CB 3.81Å; L87-L325 HydrophobicContact CD2-CD1 4.18Å
88Y93.1Very high80.3Confident35 Ų3572.4 Ų72.414%0.13739%0.39CS..EExtended strand (participates in β ladder)trans-157.3147.5176.9169.6-104.8000111.6L65 T66 C67 S90 T125 P127 L130L65-Y88 HydrophobicContact CD2-CE1 3.98Å; L65-Y88 HydrophobicContact CG-CE1 4.21Å; T66-Y88 WeakPolarHBondContact CA-O 3.44Å; C67-Y88 PolarHBondContact N-O 2.86Å; C67-Y88 PolarHBondContact O-N 2.97Å; Y88-S90 WeakPolarHBondContact OH-CB 3.23Å; Y88-T125 PolarHBondContact OH-O 3.43Å; Y88-P127 HydrophobicContact CD2-CG 3.67Å; Y88-P127 HydrophobicContact CE2-CG 3.6Å; Y88-P127 HydrophobicContact CG-CG 4.16Å; Y88-P127 VanDerWaalsContact CZ-CD 3.49Å; Y88-L130 HydrophobicContact CD1-CD1 3.71Å; Y88-L130 HydrophobicContact CE1-CD1 4.38Å; Y88-L130 HydrophobicContact CG-CD1 3.85Å; Y88-L130 HydrophobicContact CG-CD2 4.22Å
89F92.8Very high81.7Confident74 Ų7470.1 Ų70.133%0.32539%0.391SS..EExtended strand (participates in β ladder)trans-142.5134.5176.6-178.8-97.2000109.5T64 L65 T66 R91 E165T64-F89 HydrophobicContact CG2-CE2 3.79Å; T64-F89 HydrophobicContact CG2-CZ 3.62Å; L65-F89 WeakPolarHBondContact O-CA 3.47Å; T66-F89 HydrophobicContact CG2-CD2 4.49Å; T66-F89 WeakPolarHBondContact OG1-CD2 3.16Å; F89-R91 HydrophobicContact CE1-CB 3.85Å; F89-R91 HydrophobicContact CZ-CB 4.08Å; F89-E165 VanDerWaalsContact CE2-OE1 3.3Å; F89-E165 WeakPolarHBondContact CE2-OE1 3.46Å
90S93.2Very high82.4Confident29 Ų2967.2 Ų67.220%0.20339%0.392CS..EExtended strand (participates in β ladder)trans-139.6143.6171-179.70000109.8T64 L65 Y88T64-S90 CarbonylContact C-O 3.57Å; T64-S90 WeakPolarHBondContact CA-O 3.25Å; T64-S90 WeakPolarHBondContact CB-O 3.44Å; L65-S90 PolarHBondContact N-O 3.02Å; L65-S90 PolarHBondContact O-N 2.82Å; Y88-S90 WeakPolarHBondContact OH-CB 3.23Å
91R92.8Very high83Confident81 Ų8169.7 Ų69.731%0.30641%0.407SS..EExtended strand (participates in β ladder)trans-136.6133.8-177.3-175.2170.364.5-155.9-6.1110.4Y62 V63 T64 F89 D163Y62-R91 HydrophobicContact CD1-CG 3.91Å; Y62-R91 HydrophobicContact CG-CG 4.34Å; V63-R91 WeakPolarHBondContact O-CA 3.45Å; T64-R91 HydrophobicContact CG2-CB 3.9Å; T64-R91 HydrophobicContact CG2-CG 3.73Å; F89-R91 HydrophobicContact CE1-CB 3.85Å; F89-R91 HydrophobicContact CZ-CB 4.08Å; R91-D163 IonicContact CZ-OD1 2.64Å; R91-D163 IonicContact NH1-OD1 3.94Å; R91-D163 PolarHBondContact NH1-OD1 3.1Å; R91-D163 IonicContact NH2-OD1 2.9Å; R91-D163 PolarHBondContact NH2-OD1 2.85Å; R91-D163 IonicContact NH2-OD2 2.68Å; R91-D163 PolarHBondContact NH2-OD2 3.21Å
92V92.1Very high83.7Confident51 Ų5167 Ų6731%0.30940%0.4SS..EExtended strand (participates in β ladder)trans-126.4134.7175.7175.60000109.2Y62 V63 L124Y62-V92 WeakPolarHBondContact CA-O 3.34Å; V63-V92 PolarHBondContact N-O 2.87Å; V63-V92 PolarHBondContact O-N 2.88Å; V92-L124 HydrophobicContact CB-CD2 4.26Å; V92-L124 HydrophobicContact CG2-CD2 3.61Å
93Q92.7Very high84.7Confident53 Ų5370.5 Ų70.525%0.24842%0.416CS..EExtended strand (participates in β ladder)trans-81.1125170.7-169.9174.6-46.200109.4Y62 P96 V98Y62-Q93 HydrophobicContact CD1-CB 3.81Å; Y62-Q93 HydrophobicContact CD1-CG 4.13Å; Y62-Q93 HydrophobicContact CE1-CB 3.56Å; Y62-Q93 HydrophobicContact CE1-CG 3.71Å; Y62-Q93 PolarHBondContact OH-OE1 2.86Å; Q93-P96 PolarHBondContact NE2-O 2.89Å; Q93-V98 HydrophobicContact CB-CG2 4.42Å; Q93-V98 VanDerWaalsContact CD-CG2 3.47Å; Q93-V98 HydrophobicContact CG-CG2 4.19Å
94V92Very high85.3Confident5 Ų569.8 Ų69.83%0.0342%0.417CS..EExtended strand (participates in β ladder)trans-104.4-37.3-177.7177.60000111.3V49 V61 V63 Y120 F122V49-V94 HydrophobicContact CB-CG1 4.08Å; V49-V94 HydrophobicContact CG2-CG1 4.28Å; V61-V94 PolarHBondContact O-N 2.77Å; V63-V94 HydrophobicContact CB-CG2 4.19Å; V63-V94 HydrophobicContact CG2-CB 4.47Å; V63-V94 HydrophobicContact CG2-CG2 3.52Å; V94-Y120 HydrophobicContact CG1-CG 4.34Å; V94-F122 HydrophobicContact CG2-CB 3.76Å
95Y92.3Very high85.6Confident52 Ų5266.3 Ų66.320%0.20441%0.409CS..EExtended strand (participates in β ladder)trans-138139.2175.8178.8-92.9000111.7V56 K60 V61 Y120V56-Y95 HydrophobicContact CG1-CD1 4.1Å; V56-Y95 HydrophobicContact CG1-CE1 4.24Å; K60-Y95 CarbonylContact C-O 3.56Å; K60-Y95 VanDerWaalsContact CA-O 3.3Å; K60-Y95 WeakPolarHBondContact CA-O 3.3Å; V61-Y95 HydrophobicContact CG2-CD1 4.22Å; V61-Y95 HydrophobicContact CG2-CG 4.48Å; V61-Y95 PolarHBondContact N-O 2.9Å; V61-Y95 PolarHBondContact O-N 2.81Å; Y95-Y120 HydrophobicContact CD2-CD2 4.26Å; Y95-Y120 HydrophobicContact CD2-CE1 4.17Å; Y95-Y120 AromaticContact CD2-CE2 3.56Å; Y95-Y120 HydrophobicContact CD2-CE2 3.56Å; Y95-Y120 AromaticContact CD2-CZ 3.52Å; Y95-Y120 HydrophobicContact CE2-CE2 4.2Å; Y95-Y120 AromaticContact CE2-CZ 3.94Å; Y95-Y120 WeakPolarHBondContact CE2-OH 3.45Å; Y95-Y120 HydrophobicContact CG-CE2 4.39Å
96P91.3Very high85.7Confident58 Ų5868.6 Ų68.638%0.37742%0.421SS..SBendcis-60.6147-17.627.7-33.9000110Q93 V98Q93-P96 PolarHBondContact NE2-O 2.89Å; P96-V98 WeakPolarHBondContact O-CG2 3.31Å; P96-V98 PolarHBondContact O-N 2.89Å
97P87.8Confident85.6Confident91 Ų9165.7 Ų65.759%0.59141%0.405SS*.  trans-62.8133-178.324.7-33.1000110.6Y120P97-Y120 HydrophobicContact CG-CD1 4.48Å; P97-Y120 HydrophobicContact CG-CE1 4.31Å
98V82.4Confident85.7Confident107 Ų10764.7 Ų64.765%0.64840%0.4SS*.  trans-116.5129.5-177.3-1680000109.5Q93 P96Q93-V98 HydrophobicContact CB-CG2 4.42Å; Q93-V98 VanDerWaalsContact CD-CG2 3.47Å; Q93-V98 HydrophobicContact CG-CG2 4.19Å; P96-V98 WeakPolarHBondContact O-CG2 3.31Å; P96-V98 PolarHBondContact O-N 2.89Å
99G71.7Confident85.7Confident72 Ų7266.8 Ų66.874%0.74241%0.411SS*.SBendtrans88.2-174177.600000114.4
100A61.9Low85.6Confident103 Ų10364.6 Ų64.685%0.85141%0.405SS*.SBendtrans-71.3132175.900000109.1S102A100-S102 PolarHBondContact O-N 2.88Å; A100-S102 VanDerWaalsContact O-N 3.07Å
101A62.4Low85.5Confident103 Ų10363.2 Ų63.285%0.85140%0.395SS*.PPolyproline II helixtrans-58.3116.4177.200000109.5
102S71.1Confident85.4Confident85 Ų8561.7 Ų61.759%0.59439%0.393SS*.PPolyproline II helixtrans-58.1143168.9530000109A100 P104A100-S102 PolarHBondContact O-N 2.88Å; A100-S102 VanDerWaalsContact O-N 3.07Å; S102-P104 VanDerWaalsContact O-CD 3.31Å; S102-P104 WeakPolarHBondContact O-CD 3.46Å
103T83.1Confident85.4Confident133 Ų13367.5 Ų67.582%0.81641%0.414SS*.PPolyproline II helixtrans-53.6116.6176.6-49.50000109.3
104P86.4Confident85.3Confident43 Ų4369.9 Ų69.928%0.27942%0.423SS..PPolyproline II helixtrans-67.2153-176.525.7-32.3000110.7S102 Q108 E109S102-P104 VanDerWaalsContact O-CD 3.31Å; S102-P104 WeakPolarHBondContact O-CD 3.46Å; P104-Q108 HydrophobicContact CB-CB 3.96Å; P104-E109 HydrophobicContact CB-CG 4.14Å; P104-E109 HydrophobicContact CG-CG 3.83Å
105T90.2Very high85.3Confident42 Ų4271.3 Ų71.326%0.25843%0.431SS..PPolyproline II helixtrans-72.6162.5172.572.90000110.5D46 L107 Q108 E109D46-T105 PolarHBondContact OD1-OG1 3.1Å; D46-T105 VanDerWaalsContact OD2-CB 3.23Å; D46-T105 WeakPolarHBondContact OD2-CB 3.39Å; D46-T105 VanDerWaalsContact OD2-CG2 3.27Å; D46-T105 WeakPolarHBondContact OD2-CG2 3.49Å; D46-T105 PolarHBondContact OD2-OG1 3.01Å; T105-L107 PolarHBondContact O-N 2.91Å; T105-L107 PolarHBondContact OG1-N 2.98Å; T105-Q108 PolarHBondContact O-N 2.82Å; T105-Q108 VanDerWaalsContact O-N 3.1Å; T105-Q108 VanDerWaalsContact OG1-CG 3.29Å; T105-Q108 WeakPolarHBondContact OG1-CG 3.29Å; T105-Q108 PolarHBondContact OG1-N 2.83Å; T105-Q108 VanDerWaalsContact OG1-N 3.09Å; T105-E109 WeakPolarHBondContact O-CG 3.33Å; T105-E109 PolarHBondContact O-N 2.85Å
106K89.8Confident85.3Confident126 Ų12670.5 Ų70.555%0.54844%0.438SS..Hα-helixtrans-55.8-36.1174.1-64.4-177.6-178.3176.80112.2S110 Y372K106-S110 PolarHBondContact O-N 2.78Å; K106-S110 PolarHBondContact O-OG 2.83Å; K106-Y372 HydrophobicContact CB-CD2 4.36Å
107L89Confident85.3Confident10 Ų1072.8 Ų72.85%0.05246%0.456CS..Hα-helixtrans-66.2-49176.2172.360.8000111I16 T105 E109 S110 L111 Y372I16-L107 HydrophobicContact CD1-CD1 3.53Å; T105-L107 PolarHBondContact O-N 2.91Å; T105-L107 PolarHBondContact OG1-N 2.98Å; L107-E109 VanDerWaalsContact C-N 3.34Å; L107-E109 PolarHBondContact O-N 3.01Å; L107-S110 PolarHBondContact O-N 2.84Å; L107-L111 HydrophobicContact CD1-CD1 3.74Å; L107-L111 HydrophobicContact CD1-CG 4.03Å; L107-L111 HydrophobicContact CG-CD1 3.89Å; L107-L111 WeakPolarHBondContact O-CG 3.38Å; L107-L111 PolarHBondContact O-N 2.73Å; L107-Y372 HydrophobicContact CB-CD1 4.38Å; L107-Y372 HydrophobicContact CB-CE1 4.26Å; L107-Y372 HydrophobicContact CD1-CD1 3.99Å; L107-Y372 HydrophobicContact CD1-CE1 3.82Å; L107-Y372 HydrophobicContact CG-CE1 4.5Å
108Q92.2Very high85.6Confident5 Ų571.1 Ų71.12%0.02344%0.442CS..Hα-helixtrans-59.7-44.1177.8-70.2170.5-5.200111.3D46 V48 P104 T105 S110 L111 L112 P121 F122D46-Q108 WeakPolarHBondContact OD1-CG 3.24Å; D46-Q108 PolarHBondContact OD1-NE2 3.25Å; V48-Q108 HydrophobicContact CG1-CB 4.31Å; V48-Q108 HydrophobicContact CG1-CG 4.09Å; P104-Q108 HydrophobicContact CB-CB 3.96Å; T105-Q108 PolarHBondContact O-N 2.82Å; T105-Q108 VanDerWaalsContact O-N 3.1Å; T105-Q108 VanDerWaalsContact OG1-CG 3.29Å; T105-Q108 WeakPolarHBondContact OG1-CG 3.29Å; T105-Q108 PolarHBondContact OG1-N 2.83Å; T105-Q108 VanDerWaalsContact OG1-N 3.09Å; Q108-S110 PolarHBondContact O-N 2.9Å; Q108-L111 PolarHBondContact O-N 2.83Å; Q108-L112 VanDerWaalsContact O-CB 3.3Å; Q108-L112 WeakPolarHBondContact O-CB 3.33Å; Q108-L112 WeakPolarHBondContact O-CD1 3.35Å; Q108-L112 WeakPolarHBondContact O-CG 3.44Å; Q108-L112 PolarHBondContact O-N 2.97Å; Q108-P121 HydrophobicContact CB-CB 4.24Å; Q108-P121 VanDerWaalsContact CD-CB 3.5Å; Q108-P121 HydrophobicContact CG-CB 3.95Å; Q108-F122 PolarHBondContact NE2-O 3.26Å
109E91.7Very high86.2Confident79 Ų7966.3 Ų66.337%0.36941%0.413SS..Hα-helixtrans-57-46.7176.7-72.3-178.4176.900112.4P104 T105 L107 K113P104-E109 HydrophobicContact CB-CG 4.14Å; P104-E109 HydrophobicContact CG-CG 3.83Å; T105-E109 WeakPolarHBondContact O-CG 3.33Å; T105-E109 PolarHBondContact O-N 2.85Å; L107-E109 VanDerWaalsContact C-N 3.34Å; L107-E109 PolarHBondContact O-N 3.01Å; E109-K113 VanDerWaalsContact O-CG 3.31Å; E109-K113 WeakPolarHBondContact O-CG 3.32Å; E109-K113 PolarHBondContact O-N 2.97Å; E109-K113 VanDerWaalsContact O-N 3.11Å
110S90.6Very high87.3Confident28 Ų2865.1 Ų65.120%0.19639%0.386CS..Hα-helixtrans-65.5-39.3178-68.30000112.1K106 L107 Q108 K114 Y372K106-S110 PolarHBondContact O-N 2.78Å; K106-S110 PolarHBondContact O-OG 2.83Å; L107-S110 PolarHBondContact O-N 2.84Å; Q108-S110 PolarHBondContact O-N 2.9Å; S110-K114 WeakPolarHBondContact O-CB 3.48Å; S110-K114 PolarHBondContact O-N 3.33Å; S110-K114 VanDerWaalsContact O-N 3.1Å; S110-Y372 PolarHBondContact OG-O 2.93Å
111L91.1Very high88.8Confident0 Ų062.6 Ų62.60%036%0.361CS..Hα-helixtrans-70.4-41.2177.7-71.3173.5000112.7I16 V48 L107 Q108 K113 K114 L115 L377 F379I16-L111 HydrophobicContact CG1-CD2 4.27Å; I16-L111 HydrophobicContact CG2-CD2 4.1Å; V48-L111 HydrophobicContact CG1-CB 4.07Å; V48-L111 HydrophobicContact CG1-CD1 4.24Å; V48-L111 HydrophobicContact CG2-CB 3.94Å; V48-L111 HydrophobicContact CG2-CD1 3.92Å; V48-L111 HydrophobicContact CG2-CG 4.48Å; L107-L111 HydrophobicContact CD1-CD1 3.74Å; L107-L111 HydrophobicContact CD1-CG 4.03Å; L107-L111 HydrophobicContact CG-CD1 3.89Å; L107-L111 WeakPolarHBondContact O-CG 3.38Å; L107-L111 PolarHBondContact O-N 2.73Å; Q108-L111 PolarHBondContact O-N 2.83Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 3.43Å; L111-K114 PolarHBondContact O-N 3.23Å; L111-L115 HydrophobicContact CB-CD1 4.33Å; L111-L115 HydrophobicContact CD2-CD1 4.36Å; L111-L115 VanDerWaalsContact O-CB 3.3Å; L111-L115 WeakPolarHBondContact O-CB 3.46Å; L111-L115 WeakPolarHBondContact O-CG 3.42Å; L111-L115 PolarHBondContact O-N 2.9Å; L111-L377 HydrophobicContact CD2-CD1 3.96Å; L111-F379 HydrophobicContact CD2-CE1 3.93Å; L111-F379 HydrophobicContact CD2-CZ 4.37Å
112L92.3Very high90.3Very high50 Ų5058 Ų5826%0.26232%0.322SS..Hα-helixtrans-59.9-43.8175.7-72.1166.1000111Q108 K114 G116 T119Q108-L112 VanDerWaalsContact O-CB 3.3Å; Q108-L112 WeakPolarHBondContact O-CB 3.33Å; Q108-L112 WeakPolarHBondContact O-CD1 3.35Å; Q108-L112 WeakPolarHBondContact O-CG 3.44Å; Q108-L112 PolarHBondContact O-N 2.97Å; L112-K114 PolarHBondContact O-N 2.81Å; L112-G116 PolarHBondContact O-N 2.88Å; L112-T119 HydrophobicContact CD2-CG2 3.86Å; L112-T119 WeakPolarHBondContact CD2-O 3.07Å
113K91.1Very high91.4Very high173 Ų17357.6 Ų57.675%0.75231%0.312SS*.Hα-helixtrans-63.7-38.4175.3-72.4172.3-174.5171.80112.5E109 L111E109-K113 VanDerWaalsContact O-CG 3.31Å; E109-K113 WeakPolarHBondContact O-CG 3.32Å; E109-K113 PolarHBondContact O-N 2.97Å; E109-K113 VanDerWaalsContact O-N 3.11Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 3.43Å
114K91.8Very high91.9Very high102 Ų10251.3 Ų51.344%0.44327%0.274SS..Hα-helixtrans-81.1-36-175.7-173.1167.6-176.1167.30113.9S110 L111 L112 L377 F379S110-K114 WeakPolarHBondContact O-CB 3.48Å; S110-K114 PolarHBondContact O-N 3.33Å; S110-K114 VanDerWaalsContact O-N 3.1Å; L111-K114 PolarHBondContact O-N 3.23Å; L112-K114 PolarHBondContact O-N 2.81Å; K114-L377 HydrophobicContact CD-CB 4.04Å; K114-L377 HydrophobicContact CD-CD1 3.84Å; K114-L377 HydrophobicContact CD-CG 4.43Å; K114-L377 PolarHBondContact NZ-O 2.82Å; K114-F379 HydrophobicContact CD-CE2 4.13Å; K114-F379 HydrophobicContact CD-CZ 3.87Å; K114-F379 HydrophobicContact CG-CZ 4.35Å
115L91.8Very high92.3Very high35 Ų3553.3 Ų53.318%0.18329%0.285CS..Hα-helixtrans-94.9-19.3-172.1-64.1173.4000113.6Y29 V48 L111 T119 F379Y29-L115 HydrophobicContact CD1-CD1 4.14Å; Y29-L115 HydrophobicContact CD2-CD1 3.85Å; Y29-L115 HydrophobicContact CE1-CD1 4.06Å; Y29-L115 HydrophobicContact CE1-CD2 3.96Å; Y29-L115 HydrophobicContact CE2-CD1 3.8Å; Y29-L115 HydrophobicContact CE2-CD2 4.42Å; Y29-L115 HydrophobicContact CG-CD1 4.04Å; V48-L115 HydrophobicContact CG2-CD1 3.79Å; L111-L115 HydrophobicContact CB-CD1 4.33Å; L111-L115 HydrophobicContact CD2-CD1 4.36Å; L111-L115 VanDerWaalsContact O-CB 3.3Å; L111-L115 WeakPolarHBondContact O-CB 3.46Å; L111-L115 WeakPolarHBondContact O-CG 3.42Å; L111-L115 PolarHBondContact O-N 2.9Å; L115-T119 HydrophobicContact CB-CG2 4.1Å; L115-T119 WeakPolarHBondContact CB-OG1 3.28Å; L115-T119 HydrophobicContact CD1-CG2 3.99Å; L115-F379 HydrophobicContact CD2-CE2 4.12Å; L115-F379 HydrophobicContact CD2-CZ 3.77Å; L115-F379 HydrophobicContact CG-CZ 4.42Å
116G91.1Very high92.5Very high36 Ų3652 Ų5237%0.37128%0.276SS..  trans96.4-171.6173.900000114.6L112 N118 T119L112-G116 PolarHBondContact O-N 2.88Å; G116-N118 VanDerWaalsContact C-N 3.31Å; G116-N118 PolarHBondContact O-N 3.12Å; G116-T119 VanDerWaalsContact O-CB 3.28Å; G116-T119 WeakPolarHBondContact O-CB 3.19Å; G116-T119 PolarHBondContact O-N 3.04Å; G116-T119 PolarHBondContact O-OG1 2.77Å
117S90.9Very high92.5Very high105 Ų10547.2 Ų47.273%0.73426%0.258SS*.THydrogen-bonded Turntrans-68.3-19.3-164.6570000116.1T119S117-T119 PolarHBondContact O-N 3.01Å
118N94.4Very high92.4Very high57 Ų5750.5 Ų50.531%0.30528%0.276SS..THydrogen-bonded Turntrans-94.522.4-178.8-54.6-21.8000112.2L50 V51 P53 G116 Y120L50-N118 HydrophobicContact CD1-CB 4.3Å; V51-N118 PolarHBondContact N-O 2.69Å; V51-N118 VanDerWaalsContact O-CB 3.27Å; V51-N118 WeakPolarHBondContact O-CB 3.36Å; P53-N118 WeakPolarHBondContact CD-ND2 3.42Å; G116-N118 VanDerWaalsContact C-N 3.31Å; G116-N118 PolarHBondContact O-N 3.12Å; N118-Y120 WeakPolarHBondContact O-CE2 3.47Å
119T94.9Very high92.2Very high6 Ų653.6 Ų53.64%0.03729%0.288CS..EExtended strand (participates in β ladder)trans-106.6130.9-179.1-51.50000108.7V48 V49 L112 L115 G116 S117V48-T119 HydrophobicContact CB-CG2 3.66Å; V48-T119 HydrophobicContact CG1-CG2 4.24Å; V48-T119 HydrophobicContact CG2-CG2 3.57Å; V49-T119 WeakPolarHBondContact O-CA 3.38Å; L112-T119 HydrophobicContact CD2-CG2 3.86Å; L112-T119 WeakPolarHBondContact CD2-O 3.07Å; L115-T119 HydrophobicContact CB-CG2 4.1Å; L115-T119 WeakPolarHBondContact CB-OG1 3.28Å; L115-T119 HydrophobicContact CD1-CG2 3.99Å; G116-T119 VanDerWaalsContact O-CB 3.28Å; G116-T119 WeakPolarHBondContact O-CB 3.19Å; G116-T119 PolarHBondContact O-N 3.04Å; G116-T119 PolarHBondContact O-OG1 2.77Å; S117-T119 PolarHBondContact O-N 3.01Å
120Y94.5Very high92.1Very high47 Ų4750.1 Ų50.118%0.18427%0.272CS..EExtended strand (participates in β ladder)trans-129.9130.5-173.7-60.5-80.4000110.3V48 V49 V51 V94 Y95 P97 N118V48-Y120 CarbonylContact C-O 3.46Å; V48-Y120 WeakPolarHBondContact CA-O 3.22Å; V49-Y120 PolarHBondContact N-O 3.4Å; V49-Y120 PolarHBondContact O-N 3.14Å; V51-Y120 HydrophobicContact CB-CD2 4.41Å; V51-Y120 HydrophobicContact CB-CE2 4.26Å; V51-Y120 HydrophobicContact CG2-CD2 3.96Å; V51-Y120 HydrophobicContact CG2-CE2 4.27Å; V94-Y120 HydrophobicContact CG1-CG 4.34Å; Y95-Y120 HydrophobicContact CD2-CD2 4.26Å; Y95-Y120 HydrophobicContact CD2-CE1 4.17Å; Y95-Y120 AromaticContact CD2-CE2 3.56Å; Y95-Y120 HydrophobicContact CD2-CE2 3.56Å; Y95-Y120 AromaticContact CD2-CZ 3.52Å; Y95-Y120 HydrophobicContact CE2-CE2 4.2Å; Y95-Y120 AromaticContact CE2-CZ 3.94Å; Y95-Y120 WeakPolarHBondContact CE2-OH 3.45Å; Y95-Y120 HydrophobicContact CG-CE2 4.39Å; P97-Y120 HydrophobicContact CG-CD1 4.48Å; P97-Y120 HydrophobicContact CG-CE1 4.31Å; N118-Y120 WeakPolarHBondContact O-CE2 3.47Å
121P94.9Very high92.2Very high49 Ų4949 Ų4932%0.31826%0.263SS..EExtended strand (participates in β ladder)trans-78.6154.9-177.732.6-34.1000112.3V48 Q108V48-P121 HydrophobicContact CG1-CB 4.46Å; Q108-P121 HydrophobicContact CB-CB 4.24Å; Q108-P121 VanDerWaalsContact CD-CB 3.5Å; Q108-P121 HydrophobicContact CG-CB 3.95Å
122F94.1Very high92.3Very high6 Ų649.4 Ų49.43%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-144.7154.4168.370.7-88.9000111.1I28 L30 V45 G47 V49 V63 V94 Q108 L124 V153I28-F122 HydrophobicContact CD1-CE1 4.13Å; I28-F122 HydrophobicContact CD1-CZ 3.81Å; I28-F122 HydrophobicContact CG1-CE1 4.19Å; I28-F122 HydrophobicContact CG1-CZ 4.19Å; L30-F122 HydrophobicContact CD2-CE2 4.25Å; L30-F122 HydrophobicContact CD2-CZ 3.67Å; V45-F122 HydrophobicContact CG1-CE2 4.09Å; G47-F122 PolarHBondContact N-O 2.76Å; G47-F122 WeakPolarHBondContact O-CD1 3.36Å; G47-F122 PolarHBondContact O-N 2.98Å; V49-F122 HydrophobicContact CG2-CD1 3.81Å; V49-F122 HydrophobicContact CG2-CE1 3.82Å; V63-F122 HydrophobicContact CB-CD2 4.33Å; V63-F122 HydrophobicContact CB-CG 4.34Å; V63-F122 HydrophobicContact CG1-CD2 3.93Å; V63-F122 HydrophobicContact CG1-CE2 3.82Å; V63-F122 HydrophobicContact CG1-CG 4.33Å; V63-F122 HydrophobicContact CG1-CZ 4.12Å; V63-F122 HydrophobicContact CG2-CD1 4.08Å; V63-F122 HydrophobicContact CG2-CE1 4.39Å; V63-F122 HydrophobicContact CG2-CG 4.17Å; V94-F122 HydrophobicContact CG2-CB 3.76Å; Q108-F122 PolarHBondContact NE2-O 3.26Å; F122-L124 HydrophobicContact CD2-CD1 3.94Å; F122-L124 HydrophobicContact CD2-CG 4.18Å; F122-L124 HydrophobicContact CE2-CD1 4Å; F122-V153 HydrophobicContact CE2-CG1 4.47Å
123L93.8Very high92.3Very high77 Ų7747.5 Ų47.540%0.40326%0.257SS..EExtended strand (participates in β ladder)trans-139.4125.9176.1-169.471.9000109.2P44 V45 D46P44-L123 HydrophobicContact CB-CD1 3.78Å; P44-L123 HydrophobicContact CB-CG 4.16Å; P44-L123 HydrophobicContact CG-CD1 3.88Å; V45-L123 WeakPolarHBondContact O-CA 3.32Å; D46-L123 HydrophobicContact CB-CD1 3.94Å
124L94.3Very high92.5Very high1 Ų139.5 Ų39.51%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-120.6124.8177.2-59.1155.9000109.4P44 V45 V63 L65 V92 F122P44-L124 CarbonylContact C-O 3.58Å; P44-L124 WeakPolarHBondContact CA-O 3.26Å; P44-L124 WeakPolarHBondContact CB-O 3.49Å; V45-L124 HydrophobicContact CB-CB 4.17Å; V45-L124 PolarHBondContact N-O 2.86Å; V45-L124 PolarHBondContact O-N 2.83Å; V63-L124 HydrophobicContact CG1-CD1 3.78Å; L65-L124 HydrophobicContact CB-CB 4.04Å; L65-L124 HydrophobicContact CB-CD1 3.81Å; L65-L124 HydrophobicContact CB-CD2 4.37Å; L65-L124 HydrophobicContact CB-CG 4.27Å; L65-L124 HydrophobicContact CD2-CB 3.98Å; V92-L124 HydrophobicContact CB-CD2 4.26Å; V92-L124 HydrophobicContact CG2-CD2 3.61Å; F122-L124 HydrophobicContact CD2-CD1 3.94Å; F122-L124 HydrophobicContact CD2-CG 4.18Å; F122-L124 HydrophobicContact CE2-CD1 4Å
125T94.1Very high92.4Very high85 Ų8536.1 Ų36.152%0.52121%0.209SC..PPolyproline II helixtrans-97152.517954.60000111.3P44 Y88P44-T125 HydrophobicContact CB-CG2 4.16Å; Y88-T125 PolarHBondContact OH-O 3.43Å
126F93.3Very high92.2Very high15 Ų1535.1 Ų35.17%0.06620%0.204CC..PPolyproline II helixtrans-100137.1173.3-58.2-93.7000109.6Y35 V42 Q43 V45 L65 L130 F151 I178 K180Y35-F126 HydrophobicContact CG-CE2 4.46Å; V42-F126 HydrophobicContact CB-CB 3.92Å; V42-F126 HydrophobicContact CB-CD2 4.09Å; V42-F126 HydrophobicContact CB-CG 4.3Å; V42-F126 HydrophobicContact CG1-CB 3.94Å; V42-F126 HydrophobicContact CG1-CD2 3.46Å; V42-F126 VanDerWaalsContact CG1-CD2 3.46Å; V42-F126 HydrophobicContact CG1-CE2 4.11Å; V42-F126 HydrophobicContact CG1-CG 3.8Å; V42-F126 HydrophobicContact CG2-CB 4.19Å; Q43-F126 WeakPolarHBondContact O-CD2 3.36Å; Q43-F126 VanDerWaalsContact O-CE2 3.22Å; Q43-F126 WeakPolarHBondContact O-CE2 3.47Å; V45-F126 HydrophobicContact CG2-CE2 3.59Å; V45-F126 HydrophobicContact CG2-CZ 3.44Å; V45-F126 VanDerWaalsContact CG2-CZ 3.44Å; L65-F126 HydrophobicContact CD1-CE1 3.99Å; L65-F126 HydrophobicContact CD1-CZ 4.32Å; L65-F126 HydrophobicContact CD2-CD1 3.87Å; L65-F126 HydrophobicContact CD2-CE1 3.65Å; L65-F126 HydrophobicContact CD2-CE2 4.49Å; L65-F126 HydrophobicContact CD2-CG 4.38Å; L65-F126 HydrophobicContact CD2-CZ 3.99Å; L65-F126 HydrophobicContact CG-CE1 4.35Å; F126-L130 HydrophobicContact CD1-CD1 4.3Å; F126-F151 HydrophobicContact CD1-CD1 4.14Å; F126-F151 AromaticContact CD1-CE1 3.81Å; F126-F151 HydrophobicContact CD1-CE1 3.81Å; F126-F151 AromaticContact CE1-CD1 3.59Å; F126-F151 HydrophobicContact CE1-CD1 3.59Å; F126-F151 AromaticContact CE1-CE1 3.73Å; F126-F151 HydrophobicContact CE1-CE1 3.73Å; F126-F151 HydrophobicContact CE1-CG 4.49Å; F126-I178 HydrophobicContact CE1-CD1 4.46Å; F126-I178 HydrophobicContact CZ-CD1 3.9Å; F126-K180 HydrophobicContact CD1-CD 4.32Å
127P90.9Very high91.8Very high26 Ų2633.9 Ų33.917%0.16919%0.188CC..PPolyproline II helixtrans-78.3159.1166.929-30.2000112Y88 Y129 L130Y88-P127 HydrophobicContact CD2-CG 3.67Å; Y88-P127 HydrophobicContact CE2-CG 3.6Å; Y88-P127 HydrophobicContact CG-CG 4.16Å; Y88-P127 VanDerWaalsContact CZ-CD 3.49Å; P127-Y129 VanDerWaalsContact C-N 3.26Å; P127-Y129 HydrophobicContact CB-CD1 3.79Å; P127-Y129 HydrophobicContact CB-CE1 3.37Å; P127-Y129 HydrophobicContact CG-CD1 4.28Å; P127-Y129 HydrophobicContact CG-CE1 3.66Å; P127-Y129 HydrophobicContact CG-CE2 4.14Å; P127-Y129 PolarHBondContact O-N 3.07Å; P127-L130 HydrophobicContact CG-CD1 3.88Å; P127-L130 HydrophobicContact CG-CD2 4.25Å; P127-L130 HydrophobicContact CG-CG 3.82Å
128D86.7Confident91.1Very high78 Ų7830.7 Ų30.742%0.41717%0.165SC..THydrogen-bonded Turntrans-71.5-14.8-172.7-61.1-15.7000114.6L130 K317 I320D128-L130 VanDerWaalsContact C-N 3.35Å; D128-K317 HydrophobicContact CB-CD 4.1Å; D128-K317 IonicContact OD2-NZ 2.81Å; D128-K317 PolarHBondContact OD2-NZ 2.91Å; D128-I320 WeakPolarHBondContact O-CD1 3.39Å
129Y87.3Confident89.9Confident70 Ų7028.1 Ų28.128%0.27515%0.152SC..THydrogen-bonded Turntrans-90.16.6-176.761.6-99.4000113.8P127P127-Y129 VanDerWaalsContact C-N 3.26Å; P127-Y129 HydrophobicContact CB-CD1 3.79Å; P127-Y129 HydrophobicContact CB-CE1 3.37Å; P127-Y129 HydrophobicContact CG-CD1 4.28Å; P127-Y129 HydrophobicContact CG-CE1 3.66Å; P127-Y129 HydrophobicContact CG-CE2 4.14Å; P127-Y129 PolarHBondContact O-N 3.07Å
130L91.3Very high88.7Confident7 Ų732.1 Ų32.14%0.03718%0.178CC..PPolyproline II helixtrans-89136.5-179-57.5-173.7000112.6C67 Y88 F126 P127 D128 F151 K180C67-L130 HydrophobicContact CB-CD1 4.24Å; Y88-L130 HydrophobicContact CD1-CD1 3.71Å; Y88-L130 HydrophobicContact CE1-CD1 4.38Å; Y88-L130 HydrophobicContact CG-CD1 3.85Å; Y88-L130 HydrophobicContact CG-CD2 4.22Å; F126-L130 HydrophobicContact CD1-CD1 4.3Å; P127-L130 HydrophobicContact CG-CD1 3.88Å; P127-L130 HydrophobicContact CG-CD2 4.25Å; P127-L130 HydrophobicContact CG-CG 3.82Å; D128-L130 VanDerWaalsContact C-N 3.35Å; L130-F151 HydrophobicContact CB-CZ 4.28Å; L130-F151 HydrophobicContact CD1-CE1 3.88Å; L130-F151 HydrophobicContact CD1-CZ 4.45Å; L130-K180 PolarHBondContact O-NZ 2.98Å
131P91.8Very high87.3Confident3 Ų336.7 Ų36.72%0.01920%0.201CC..PPolyproline II helixtrans-65.8172.5172.335.5-41.4000110.7L87 V149 F151 K180 V324 L325L87-P131 HydrophobicContact CD1-CG 4.05Å; P131-V149 HydrophobicContact CG-CB 4.36Å; P131-V149 HydrophobicContact CG-CG1 3.85Å; P131-V149 HydrophobicContact CG-CG2 4.03Å; P131-F151 WeakPolarHBondContact O-CZ 3.3Å; P131-K180 PolarHBondContact O-NZ 2.77Å; P131-V324 HydrophobicContact CB-CG1 4.22Å; P131-L325 WeakPolarHBondContact CD-O 3.34Å; P131-L325 VanDerWaalsContact CG-O 3.26Å; P131-L325 WeakPolarHBondContact CG-O 3.48Å
132C93Very high85.7Confident10 Ų1035.8 Ų35.87%0.06819%0.194CC..PPolyproline II helixtrans-83.9168.1169.3-68.70000111.4V134 K180C132-V134 PolarHBondContact O-N 2.94Å; C132-K180 WeakPolarHBondContact CB-O 3.42Å
133S92.9Very high84.1Confident10 Ų1041 Ų417%0.0723%0.226CC..SBendtrans-65.2107.4171.7-68.10000109.6F151 R179 K180 D300S133-F151 VanDerWaalsContact OG-CD2 3.31Å; S133-F151 WeakPolarHBondContact OG-CD2 3.12Å; S133-R179 VanDerWaalsContact OG-CA 3.31Å; S133-R179 WeakPolarHBondContact OG-CA 3.41Å; S133-K180 PolarHBondContact N-O 2.79Å; S133-K180 PolarHBondContact OG-N 3.13Å; S133-D300 WeakPolarHBondContact O-CA 3.44Å
134V93.8Very high82.4Confident4 Ų439.7 Ų39.72%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-136.9134.8-179.5178.20000108.6C132 G148 V149 A298 L299 A311 I327 V329C132-V134 PolarHBondContact O-N 2.94Å; V134-G148 CarbonylContact O-C 3.49Å; V134-G148 WeakPolarHBondContact O-CA 3.35Å; V134-V149 PolarHBondContact O-N 3.22Å; V134-A298 HydrophobicContact CG1-CB 3.86Å; V134-L299 CarbonylContact C-O 3.56Å; V134-L299 VanDerWaalsContact CA-O 3.31Å; V134-L299 WeakPolarHBondContact CA-O 3.14Å; V134-A311 HydrophobicContact CG1-CB 3.97Å; V134-A311 HydrophobicContact CG2-CB 4.19Å; V134-I327 HydrophobicContact CB-CB 4.13Å; V134-I327 HydrophobicContact CG1-CB 3.8Å; V134-I327 HydrophobicContact CG1-CD1 4.17Å; V134-I327 HydrophobicContact CG1-CG2 3.69Å; V134-V329 HydrophobicContact CG1-CG2 3.9Å; V134-V329 HydrophobicContact CG2-CG2 4.45Å
135M90.6Very high81Confident31 Ų3144.8 Ų44.815%0.15325%0.254CS..EExtended strand (participates in β ladder)trans-133.8140.3172.456.5-179.3-78.600111.8C147 A298 L299 G301 K302M135-C147 CarbonylContact C-O 3.52Å; M135-C147 WeakPolarHBondContact CA-O 3.4Å; M135-A298 CarbonylContact O-C 3.59Å; M135-A298 WeakPolarHBondContact O-CA 2.94Å; M135-L299 HydrophobicContact CG-CB 4.29Å; M135-L299 PolarHBondContact N-O 3.23Å; M135-L299 PolarHBondContact O-N 3.4Å; M135-G301 WeakPolarHBondContact CG-O 3.38Å; M135-K302 HydrophobicContact CE-CB 4.42Å; M135-K302 HydrophobicContact CE-CG 4.35Å; M135-K302 WeakPolarHBondContact SD-CA 3.31Å; M135-K302 HydrophobicContact SD-CB 4.13Å; M135-K302 HydrophobicContact SD-CG 3.81Å; M135-K302 PolarHBondContact SD-N 3.34Å; M135-K302 VanDerWaalsContact SD-N 3.43Å
136L88.7Confident79.8Confident15 Ų1542.9 Ų42.98%0.07924%0.243CC..EExtended strand (participates in β ladder)trans-79.5131.2172.4-61.8179.9000109.5P138 C147 A249 V251 Y259 A298 I327L136-P138 WeakPolarHBondContact O-CD 3.44Å; L136-C147 HydrophobicContact CB-CB 4.35Å; L136-C147 PolarHBondContact N-O 3.46Å; L136-A249 HydrophobicContact CD2-CB 4.07Å; L136-V251 HydrophobicContact CD1-CG2 3.98Å; L136-Y259 HydrophobicContact CD1-CD2 4.39Å; L136-Y259 HydrophobicContact CD1-CE2 4.3Å; L136-A298 HydrophobicContact CD2-CB 3.98Å; L136-I327 HydrophobicContact CD2-CG2 4.39Å; L136-I327 HydrophobicContact CG-CD1 3.99Å
137Q82.1Confident79.3Confident9 Ų943 Ų434%0.04225%0.246CC..PPolyproline II helixtrans-63.3123.2174.7179.7168.6-19.200110.3R292 R294 G296 I297 L299 I303Q137-R292 PolarHBondContact NE2-O 3Å; Q137-R294 VanDerWaalsContact CG-O 3.31Å; Q137-R294 WeakPolarHBondContact CG-O 3.46Å; Q137-R294 PolarHBondContact NE2-O 2.85Å; Q137-R294 VanDerWaalsContact NE2-O 3.09Å; Q137-R294 PolarHBondContact OE1-O 3.22Å; Q137-G296 PolarHBondContact O-N 3.44Å; Q137-I297 HydrophobicContact CB-CB 4.44Å; Q137-I297 WeakPolarHBondContact CB-O 3.35Å; Q137-I297 PolarHBondContact N-O 3.04Å; Q137-L299 HydrophobicContact CB-CD1 4.18Å; Q137-L299 HydrophobicContact CB-CG 4.48Å; Q137-I303 VanDerWaalsContact CD-CD1 3.48Å; Q137-I303 HydrophobicContact CG-CD1 4.02Å; Q137-I303 VanDerWaalsContact NE2-CD1 3.32Å
138P75.3Confident79.3Confident38 Ų3842.2 Ų42.225%0.24724%0.242CC..PPolyproline II helixtrans-67.6165.817528.1-33.5000111.4L136 D142 K145L136-P138 WeakPolarHBondContact O-CD 3.44Å; P138-D142 HydrophobicContact CB-CB 4.13Å; P138-K145 WeakPolarHBondContact CB-O 3.48Å
139A69.9Low79.5Confident4 Ų438.8 Ų38.83%0.03323%0.225CC..PPolyproline II helixtrans-69154.4168.300000109.7Q141 D142 R295A139-Q141 HydrophobicContact CB-CG 4.06Å; A139-Q141 PolarHBondContact O-N 2.8Å; A139-Q141 VanDerWaalsContact O-N 3.12Å; A139-D142 HydrophobicContact CB-CB 4.06Å; A139-D142 WeakPolarHBondContact CB-OD2 3.4Å; A139-D142 PolarHBondContact O-N 2.86Å; A139-R295 HydrophobicContact CB-CB 4.26Å; A139-R295 VanDerWaalsContact CB-CD 3.48Å; A139-R295 HydrophobicContact CB-CG 3.88Å
140P68.7Low79.7Confident90 Ų9036.8 Ų36.858%0.58422%0.219SC*.THydrogen-bonded Turntrans-52.4-33.4171.8-27.535.5000113.6
141Q65.1Low79.8Confident142 Ų14236.5 Ų36.566%0.66422%0.217SC*.THydrogen-bonded Turntrans-83.1-10176.869.1-87.728.100115.1A139 T143A139-Q141 HydrophobicContact CB-CG 4.06Å; A139-Q141 PolarHBondContact O-N 2.8Å; A139-Q141 VanDerWaalsContact O-N 3.12Å; Q141-T143 VanDerWaalsContact C-N 3.35Å; Q141-T143 PolarHBondContact O-N 3.43Å
142D62.8Low80Confident31 Ų3137.4 Ų37.417%0.16622%0.221CC..  trans-99.544.9-180-73.1-41.9000110.5P138 A139 G144 K145 R295P138-D142 HydrophobicContact CB-CB 4.13Å; A139-D142 HydrophobicContact CB-CB 4.06Å; A139-D142 WeakPolarHBondContact CB-OD2 3.4Å; A139-D142 PolarHBondContact O-N 2.86Å; D142-G144 PolarHBondContact O-N 3.09Å; D142-K145 HydrophobicContact CB-CD 4.42Å; D142-K145 PolarHBondContact O-N 3.11Å; D142-K145 IonicContact OD1-NZ 3.45Å; D142-R295 IonicContact OD2-CZ 3.13Å; D142-R295 IonicContact OD2-NE 3.48Å; D142-R295 IonicContact OD2-NH2 3.89Å; D142-R295 PolarHBondContact OD2-NH2 2.79Å
143T58.9Low80.1Confident114 Ų11436.9 Ų36.970%0.69922%0.218SC*.THydrogen-bonded Turntrans-58.3127.8177.624.80000110.8Q141Q141-T143 VanDerWaalsContact C-N 3.35Å; Q141-T143 PolarHBondContact O-N 3.43Å
144G58.5Low80.1Confident51 Ų5138.1 Ų38.153%0.52622%0.222SC..THydrogen-bonded Turntrans90.2-13.6178.600000115.9Q73 D142Q73-G144 WeakPolarHBondContact CA-O 3.44Å; D142-G144 PolarHBondContact O-N 3.09Å
145K65.9Low80.2Confident108 Ų10838 Ų3847%0.4722%0.221SC..  trans-86.9120.4172.4-64.2177.8-173.4168.40109.5P138 D142P138-K145 WeakPolarHBondContact CB-O 3.48Å; D142-K145 HydrophobicContact CB-CD 4.42Å; D142-K145 PolarHBondContact O-N 3.11Å; D142-K145 IonicContact OD1-NZ 3.45Å
146S68.8Low80.3Confident44 Ų4436.9 Ų36.931%0.30822%0.215SC..EExtended strand (participates in β ladder)trans-116.1139.1173.563.40000110.3Y71 G72Y71-S146 CarbonylContact C-O 3.59Å; Y71-S146 VanDerWaalsContact CA-O 3.25Å; Y71-S146 WeakPolarHBondContact CA-O 3.48Å; G72-S146 PolarHBondContact N-O 2.97Å; G72-S146 PolarHBondContact O-N 2.93Å
147C83Confident80.5Confident19 Ų1936.2 Ų36.213%0.12821%0.212CC..EExtended strand (participates in β ladder)trans-123.9112.5173.2177.10000107.4R70 Y71 M135 L136R70-C147 CarbonylContact O-C 3.55Å; R70-C147 VanDerWaalsContact O-CA 3.23Å; R70-C147 WeakPolarHBondContact O-CA 3.21Å; Y71-C147 HydrophobicContact CD2-CB 3.83Å; Y71-C147 HydrophobicContact CE2-CB 4.46Å; M135-C147 CarbonylContact C-O 3.52Å; M135-C147 WeakPolarHBondContact CA-O 3.4Å; L136-C147 HydrophobicContact CB-CB 4.35Å; L136-C147 PolarHBondContact N-O 3.46Å
148G89.7Confident80.9Confident8 Ų836.3 Ų36.38%0.08221%0.213CC..EExtended strand (participates in β ladder)trans-178.5172.7-174.600000114.3F69 R70 V134F69-G148 WeakPolarHBondContact CA-O 3.45Å; R70-G148 PolarHBondContact N-O 2.8Å; R70-G148 PolarHBondContact O-N 2.99Å; V134-G148 CarbonylContact O-C 3.49Å; V134-G148 WeakPolarHBondContact O-CA 3.35Å
149V91.9Very high81.2Confident7 Ų740 Ų404%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-101.9120.7170.4-176.50000109.2C67 A68 F69 L87 P131 V134 F151C67-V149 VanDerWaalsContact SG-CG1 3.59Å; A68-V149 VanDerWaalsContact O-CA 3.31Å; A68-V149 WeakPolarHBondContact O-CA 3.49Å; F69-V149 HydrophobicContact CD2-CG2 3.82Å; L87-V149 HydrophobicContact CD1-CG1 4.19Å; L87-V149 HydrophobicContact CD1-CG2 4.31Å; P131-V149 HydrophobicContact CG-CB 4.36Å; P131-V149 HydrophobicContact CG-CG1 3.85Å; P131-V149 HydrophobicContact CG-CG2 4.03Å; V134-V149 PolarHBondContact O-N 3.22Å; V149-F151 HydrophobicContact CG1-CE2 4.16Å
150D91.6Very high81.1Confident28 Ų2841.8 Ų41.815%0.1524%0.243CC..EExtended strand (participates in β ladder)trans-115151.9176.269.8-51.9000111.8C67 A68 R70 L177C67-D150 WeakPolarHBondContact CA-O 3.48Å; A68-D150 PolarHBondContact N-O 2.67Å; A68-D150 PolarHBondContact O-N 2.91Å; R70-D150 WeakPolarHBondContact CD-OD1 3.23Å; R70-D150 WeakPolarHBondContact CG-OD1 3.4Å; R70-D150 IonicContact CZ-OD1 3.2Å; R70-D150 IonicContact CZ-OD2 3.34Å; R70-D150 IonicContact NE-OD1 2.62Å; R70-D150 PolarHBondContact NE-OD1 3.49Å; R70-D150 IonicContact NE-OD2 2.96Å; R70-D150 PolarHBondContact NE-OD2 2.96Å; R70-D150 IonicContact NH2-OD2 3.41Å; R70-D150 PolarHBondContact NH2-OD2 2.89Å; D150-L177 HydrophobicContact CB-CD2 4.44Å
151F93.7Very high80.6Confident0 Ų040.9 Ų40.90%024%0.243CC..EExtended strand (participates in β ladder)trans-116.3118.6173.5-71.7-96.8000108.5L65 T66 C67 F126 L130 P131 S133 V149 L177 I178 K180L65-F151 HydrophobicContact CD1-CD1 4.41Å; T66-F151 CarbonylContact O-C 3.59Å; T66-F151 WeakPolarHBondContact O-CA 3.46Å; C67-F151 HydrophobicContact CB-CD1 3.84Å; C67-F151 HydrophobicContact CB-CE1 3.62Å; C67-F151 HydrophobicContact CB-CZ 4.2Å; C67-F151 VanDerWaalsContact SG-CE1 3.56Å; C67-F151 WeakPolarHBondContact SG-CZ 3.27Å; F126-F151 HydrophobicContact CD1-CD1 4.14Å; F126-F151 AromaticContact CD1-CE1 3.81Å; F126-F151 HydrophobicContact CD1-CE1 3.81Å; F126-F151 AromaticContact CE1-CD1 3.59Å; F126-F151 HydrophobicContact CE1-CD1 3.59Å; F126-F151 AromaticContact CE1-CE1 3.73Å; F126-F151 HydrophobicContact CE1-CE1 3.73Å; F126-F151 HydrophobicContact CE1-CG 4.49Å; L130-F151 HydrophobicContact CB-CZ 4.28Å; L130-F151 HydrophobicContact CD1-CE1 3.88Å; L130-F151 HydrophobicContact CD1-CZ 4.45Å; P131-F151 WeakPolarHBondContact O-CZ 3.3Å; S133-F151 VanDerWaalsContact OG-CD2 3.31Å; S133-F151 WeakPolarHBondContact OG-CD2 3.12Å; V149-F151 HydrophobicContact CG1-CE2 4.16Å; F151-L177 WeakPolarHBondContact O-CA 3.17Å; F151-I178 HydrophobicContact CB-CD1 4.21Å; F151-I178 HydrophobicContact CB-CG1 3.62Å; F151-I178 PolarHBondContact O-N 2.68Å; F151-K180 HydrophobicContact CD2-CB 4.02Å; F151-K180 HydrophobicContact CE1-CB 4.47Å; F151-K180 HydrophobicContact CE1-CD 4.2Å; F151-K180 HydrophobicContact CE2-CB 3.68Å; F151-K180 HydrophobicContact CE2-CD 4.29Å; F151-K180 HydrophobicContact CZ-CB 3.92Å; F151-K180 HydrophobicContact CZ-CD 3.71Å; F151-K180 HydrophobicContact CZ-CG 4.44Å
152E94.3Very high80.1Confident22 Ų2240 Ų4010%0.10324%0.243CC..EExtended strand (participates in β ladder)trans-109.5126.7179.8-172.9177.276.400109.9L65 T66 K154 R175 L176 L177L65-E152 WeakPolarHBondContact CA-O 3.5Å; T66-E152 PolarHBondContact N-O 2.95Å; T66-E152 PolarHBondContact O-N 3.09Å; E152-K154 HydrophobicContact CG-CB 4.45Å; E152-R175 HydrophobicContact CG-CB 4.34Å; E152-L176 WeakPolarHBondContact CA-O 3.31Å; E152-L177 HydrophobicContact CB-CD2 4.11Å; E152-L177 HydrophobicContact CG-CD2 4.36Å
153V95.3Very high79.7Confident0 Ų043.7 Ų43.70%026%0.263CS..EExtended strand (participates in β ladder)trans-102.4119.5164.5-178.20000107.7I28 V45 V63 T64 L65 F122 L176 I178I28-V153 HydrophobicContact CD1-CG1 3.72Å; V45-V153 HydrophobicContact CG1-CG2 3.92Å; V45-V153 HydrophobicContact CG2-CG2 4.43Å; V63-V153 HydrophobicContact CG1-CG1 3.88Å; T64-V153 VanDerWaalsContact O-CA 3.32Å; T64-V153 WeakPolarHBondContact O-CA 3.5Å; L65-V153 HydrophobicContact CD1-CG2 4.12Å; F122-V153 HydrophobicContact CE2-CG1 4.47Å; V153-L176 HydrophobicContact CB-CB 4.37Å; V153-L176 PolarHBondContact N-O 2.88Å; V153-L176 PolarHBondContact O-N 2.83Å; V153-I178 HydrophobicContact CG2-CD1 3.61Å; V153-I178 HydrophobicContact CG2-CG1 4Å; V153-I178 HydrophobicContact CG2-CG2 3.98Å
154K94.6Very high79.7Confident36 Ų3643.6 Ų43.616%0.15725%0.254CS..EExtended strand (participates in β ladder)trans-126124.9-177.1-178.9-175.4174.8-172.40110.2V63 T64 E152 F156 V174V63-K154 CarbonylContact C-O 3.59Å; V63-K154 VanDerWaalsContact CA-O 3.3Å; V63-K154 WeakPolarHBondContact CA-O 3.34Å; T64-K154 PolarHBondContact N-O 3.5Å; T64-K154 PolarHBondContact O-N 2.85Å; T64-K154 PolarHBondContact OG1-O 2.78Å; E152-K154 HydrophobicContact CG-CB 4.45Å; K154-F156 HydrophobicContact CD-CD1 4.4Å; K154-F156 HydrophobicContact CG-CD1 4.22Å; K154-V174 CarbonylContact C-O 3.58Å; K154-V174 VanDerWaalsContact CA-O 3.29Å; K154-V174 WeakPolarHBondContact CA-O 3.46Å
155A95.1Very high79.6Confident0 Ų044.7 Ų44.70%025%0.246CC..EExtended strand (participates in β ladder)trans-105.8137.6169.300000109.5V26 I28 V49 Y62 V63 S173 V174V26-A155 HydrophobicContact CG1-CB 3.84Å; I28-A155 HydrophobicContact CB-CB 4.4Å; I28-A155 HydrophobicContact CD1-CB 4.1Å; V49-A155 HydrophobicContact CG2-CB 4.34Å; Y62-A155 VanDerWaalsContact O-CA 3.29Å; Y62-A155 WeakPolarHBondContact O-CA 3.31Å; V63-A155 HydrophobicContact CG2-CB 3.93Å; A155-S173 CarbonylContact O-C 3.56Å; A155-S173 WeakPolarHBondContact O-CA 3.35Å; A155-V174 HydrophobicContact CB-CG1 3.76Å; A155-V174 PolarHBondContact N-O 2.94Å; A155-V174 PolarHBondContact O-N 2.82Å
156F93.6Very high79.1Confident8 Ų847.4 Ų47.44%0.03527%0.265CS..EExtended strand (participates in β ladder)trans-152.2149.3179.362-87.8000112.7V61 Y62 T64 K154 T158 I168 S172V61-F156 WeakPolarHBondContact CA-O 3.3Å; Y62-F156 HydrophobicContact CD2-CE2 4.01Å; Y62-F156 HydrophobicContact CD2-CZ 4.33Å; Y62-F156 HydrophobicContact CG-CE2 4.46Å; Y62-F156 HydrophobicContact CG-CZ 4.35Å; Y62-F156 PolarHBondContact N-O 3.18Å; Y62-F156 PolarHBondContact O-N 2.96Å; T64-F156 HydrophobicContact CG2-CE1 3.8Å; T64-F156 HydrophobicContact CG2-CZ 4.46Å; K154-F156 HydrophobicContact CD-CD1 4.4Å; K154-F156 HydrophobicContact CG-CD1 4.22Å; F156-T158 HydrophobicContact CD2-CG2 4.48Å; F156-T158 HydrophobicContact CE2-CG2 4.16Å; F156-I168 HydrophobicContact CB-CG2 3.7Å; F156-I168 HydrophobicContact CD1-CD1 4.21Å; F156-I168 HydrophobicContact CD1-CG2 4.26Å; F156-I168 HydrophobicContact CD2-CB 4.44Å; F156-I168 HydrophobicContact CD2-CD1 4.19Å; F156-I168 HydrophobicContact CD2-CG1 4.03Å; F156-I168 HydrophobicContact CD2-CG2 3.59Å; F156-I168 HydrophobicContact CE1-CD1 3.81Å; F156-I168 HydrophobicContact CE2-CD1 3.8Å; F156-I168 HydrophobicContact CE2-CG1 3.81Å; F156-I168 HydrophobicContact CE2-CG2 4.26Å; F156-I168 HydrophobicContact CG-CD1 4.38Å; F156-I168 HydrophobicContact CG-CG2 3.59Å; F156-I168 HydrophobicContact CZ-CD1 3.59Å; F156-I168 HydrophobicContact CZ-CG1 4.14Å; F156-S172 WeakPolarHBondContact CA-O 3.38Å
157A92.7Very high79Confident1 Ų152 Ų521%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-99.8132.4169.500000111V26 V56 K59 K60 V61 S172V26-A157 HydrophobicContact CG2-CB 4.01Å; V56-A157 HydrophobicContact CG1-CB 4.15Å; V56-A157 HydrophobicContact CG2-CB 4.31Å; K59-A157 HydrophobicContact CD-CB 4.49Å; K60-A157 CarbonylContact O-C 3.56Å; K60-A157 VanDerWaalsContact O-CA 3.31Å; K60-A157 WeakPolarHBondContact O-CA 3.34Å; V61-A157 HydrophobicContact CG2-CB 4.17Å; A157-S172 PolarHBondContact N-O 3.34Å; A157-S172 PolarHBondContact O-OG 3.26Å
158T89.4Confident78.7Confident12 Ų1252.2 Ų52.27%0.07428%0.279CS..EExtended strand (participates in β ladder)trans-133.8148.8178.1-171.30000112.4K59 K60 Y62 F156 S160K59-T158 WeakPolarHBondContact CB-O 3.39Å; K60-T158 PolarHBondContact N-O 2.87Å; K60-T158 PolarHBondContact O-N 2.98Å; Y62-T158 HydrophobicContact CD2-CG2 3.97Å; Y62-T158 HydrophobicContact CE2-CG2 3.8Å; F156-T158 HydrophobicContact CD2-CG2 4.48Å; F156-T158 HydrophobicContact CE2-CG2 4.16Å; T158-S160 PolarHBondContact OG1-N 2.86Å; T158-S160 PolarHBondContact OG1-OG 2.85Å; T158-S160 VanDerWaalsContact OG1-OG 3.07Å
159D81.8Confident78.3Confident116 Ų11653.6 Ų53.662%0.6229%0.287SS*.SBendtrans-86.8-24.5175.1-59.2-37.9000111.8K59K59-D159 WeakPolarHBondContact CD-OD1 3.49Å; K59-D159 WeakPolarHBondContact CE-OD1 3.22Å; K59-D159 WeakPolarHBondContact CG-OD1 3.47Å
160S67.4Low77.9Confident40 Ų4061.4 Ų61.428%0.2832%0.321SS..  trans-79.8135.7-174.861.20000112.1T158 D162T158-S160 PolarHBondContact OG1-N 2.86Å; T158-S160 PolarHBondContact OG1-OG 2.85Å; T158-S160 VanDerWaalsContact OG1-OG 3.07Å; S160-D162 PolarHBondContact OG-O 3.18Å
161A57.5Low77.7Confident72 Ų7266.4 Ų66.460%0.59534%0.341SS*.SBendtrans-75.8-11.5163.600000112.3
162D55.4Low77.3Confident123 Ų12366.5 Ų66.566%0.65834%0.342SS*.SBendtrans-85.5135.9-178.3-65.2-34.3000111.8S160 E164S160-D162 PolarHBondContact OG-O 3.18Å; D162-E164 PolarHBondContact O-N 2.94Å; D162-E164 VanDerWaalsContact O-N 3.09Å
163D54.9Low77.1Confident109 Ų10966.7 Ų66.758%0.58335%0.345SS*.  trans-75.114.2-173.1-72.5-31.6000114.7R91 E165R91-D163 IonicContact CZ-OD1 2.64Å; R91-D163 IonicContact NH1-OD1 3.94Å; R91-D163 PolarHBondContact NH1-OD1 3.1Å; R91-D163 IonicContact NH2-OD1 2.9Å; R91-D163 PolarHBondContact NH2-OD1 2.85Å; R91-D163 IonicContact NH2-OD2 2.68Å; R91-D163 PolarHBondContact NH2-OD2 3.21Å; D163-E165 PolarHBondContact O-N 2.7Å
164E58.2Low77Confident111 Ų11166.9 Ų66.952%0.51935%0.346SS..  trans-76.2108.7-177.3-67.8-163.5158.400111.9D162 D166 K167D162-E164 PolarHBondContact O-N 2.94Å; D162-E164 VanDerWaalsContact O-N 3.09Å; E164-D166 PolarHBondContact O-N 3.26Å; E164-K167 PolarHBondContact O-N 2.9Å; E164-K167 IonicContact OE2-NZ 2.79Å; E164-K167 PolarHBondContact OE2-NZ 3.31Å
165E56.7Low76.9Confident74 Ų7472.2 Ų72.235%0.34637%0.365SS..G310 helixtrans-64.4-26.1-177.4-140.2178.6174.500113.3F89 D163 K167 I168F89-E165 VanDerWaalsContact CE2-OE1 3.3Å; F89-E165 WeakPolarHBondContact CE2-OE1 3.46Å; D163-E165 PolarHBondContact O-N 2.7Å; E165-K167 PolarHBondContact O-N 2.96Å; E165-I168 HydrophobicContact CB-CD1 4.39Å; E165-I168 HydrophobicContact CG-CD1 3.59Å; E165-I168 WeakPolarHBondContact O-CD1 3.34Å; E165-I168 VanDerWaalsContact O-CG1 3.3Å; E165-I168 WeakPolarHBondContact O-CG1 3.27Å; E165-I168 PolarHBondContact O-N 3.22Å
166D55.3Low76.7Confident166 Ų16672.3 Ų72.389%0.88837%0.366SS*.G310 helixtrans-71.4-12.4-177.5-69.5-30.9000113.8E164E164-D166 PolarHBondContact O-N 3.26Å
167K66.6Low76.6Confident139 Ų13974.7 Ų74.760%0.60438%0.379SS*.G310 helixtrans-103.910.4178.5-72.2176.1-174.6140.90114.1E164 E165 P169E164-K167 PolarHBondContact O-N 2.9Å; E164-K167 IonicContact OE2-NZ 2.79Å; E164-K167 PolarHBondContact OE2-NZ 3.31Å; E165-K167 PolarHBondContact O-N 2.96Å; K167-P169 WeakPolarHBondContact O-CD 3.49Å
168I77.1Confident76.6Confident24 Ų2474.9 Ų74.912%0.12338%0.38CS..  trans-68.2122.3-179.3-63.3168.7000110.5F156 E165 K170F156-I168 HydrophobicContact CB-CG2 3.7Å; F156-I168 HydrophobicContact CD1-CD1 4.21Å; F156-I168 HydrophobicContact CD1-CG2 4.26Å; F156-I168 HydrophobicContact CD2-CB 4.44Å; F156-I168 HydrophobicContact CD2-CD1 4.19Å; F156-I168 HydrophobicContact CD2-CG1 4.03Å; F156-I168 HydrophobicContact CD2-CG2 3.59Å; F156-I168 HydrophobicContact CE1-CD1 3.81Å; F156-I168 HydrophobicContact CE2-CD1 3.8Å; F156-I168 HydrophobicContact CE2-CG1 3.81Å; F156-I168 HydrophobicContact CE2-CG2 4.26Å; F156-I168 HydrophobicContact CG-CD1 4.38Å; F156-I168 HydrophobicContact CG-CG2 3.59Å; F156-I168 HydrophobicContact CZ-CD1 3.59Å; F156-I168 HydrophobicContact CZ-CG1 4.14Å; E165-I168 HydrophobicContact CB-CD1 4.39Å; E165-I168 HydrophobicContact CG-CD1 3.59Å; E165-I168 WeakPolarHBondContact O-CD1 3.34Å; E165-I168 VanDerWaalsContact O-CG1 3.3Å; E165-I168 WeakPolarHBondContact O-CG1 3.27Å; E165-I168 PolarHBondContact O-N 3.22Å; I168-K170 PolarHBondContact O-N 3.19Å
169P80.1Confident76.8Confident38 Ų3875.3 Ų75.325%0.24738%0.38CS..  trans-65.6121-179.4-16.228000111.7K167 K171 S172 S173K167-P169 WeakPolarHBondContact O-CD 3.49Å; P169-K171 HydrophobicContact CB-CG 4.29Å; P169-K171 PolarHBondContact O-N 3.13Å; P169-S172 WeakPolarHBondContact CB-OG 3.38Å; P169-S172 PolarHBondContact O-N 3.46Å; P169-S172 PolarHBondContact O-OG 3.16Å; P169-S173 WeakPolarHBondContact O-CB 3.33Å; P169-S173 PolarHBondContact O-N 3.46Å
170K83.6Confident77.3Confident171 Ų17170 Ų7074%0.74335%0.351SS*.SBendtrans-58.5-32.4179.7-68.5-176.7179.61780112.7I168 S173I168-K170 PolarHBondContact O-N 3.19Å; K170-S173 PolarHBondContact O-N 3.25Å; K170-S173 PolarHBondContact O-OG 2.82Å
171K87.4Confident78.5Confident132 Ų13268.6 Ų68.657%0.57434%0.341SS*.THydrogen-bonded Turntrans-68-39.9-177.362.6-178.2179.5-1790114.2R22 D23 P169 S173R22-K171 PolarHBondContact N-O 2.78Å; R22-K171 VanDerWaalsContact N-O 3.15Å; D23-K171 HydrophobicContact CB-CB 4.43Å; D23-K171 PolarHBondContact N-O 3.28Å; D23-K171 VanDerWaalsContact N-O 3.12Å; P169-K171 HydrophobicContact CB-CG 4.29Å; P169-K171 PolarHBondContact O-N 3.13Å; K171-S173 VanDerWaalsContact C-N 3.3Å
172S87.3Confident79.9Confident3 Ų365.3 Ų65.32%0.02131%0.314CS..THydrogen-bonded Turntrans-93.711-18059.60000112.5D23 F156 A157 P169D23-S172 WeakPolarHBondContact OD2-CA 3.32Å; D23-S172 VanDerWaalsContact OD2-CB 3.29Å; D23-S172 WeakPolarHBondContact OD2-CB 3.46Å; D23-S172 PolarHBondContact OD2-N 3.09Å; F156-S172 WeakPolarHBondContact CA-O 3.38Å; A157-S172 PolarHBondContact N-O 3.34Å; A157-S172 PolarHBondContact O-OG 3.26Å; P169-S172 WeakPolarHBondContact CB-OG 3.38Å; P169-S172 PolarHBondContact O-N 3.46Å; P169-S172 PolarHBondContact O-OG 3.16Å
173S89.4Confident81.4Confident25 Ų2560.8 Ų60.818%0.17529%0.288CS..EExtended strand (participates in β ladder)trans-106.7142.5179.677.60000111.2A155 P169 K170 K171A155-S173 CarbonylContact O-C 3.56Å; A155-S173 WeakPolarHBondContact O-CA 3.35Å; P169-S173 WeakPolarHBondContact O-CB 3.33Å; P169-S173 PolarHBondContact O-N 3.46Å; K170-S173 PolarHBondContact O-N 3.25Å; K170-S173 PolarHBondContact O-OG 2.82Å; K171-S173 VanDerWaalsContact C-N 3.3Å
174V92.8Very high82.9Confident4 Ų455.8 Ų55.82%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-131.9129.3173.159.60000109K19 V26 I28 K154 A155K19-V174 HydrophobicContact CB-CG2 3.7Å; K19-V174 HydrophobicContact CD-CG2 3.73Å; K19-V174 HydrophobicContact CG-CG2 3.54Å; V26-V174 HydrophobicContact CG1-CG1 4.08Å; I28-V174 HydrophobicContact CB-CG1 4.15Å; I28-V174 HydrophobicContact CG2-CB 4.34Å; I28-V174 HydrophobicContact CG2-CG1 3.6Å; I28-V174 HydrophobicContact CG2-CG2 3.77Å; K154-V174 CarbonylContact C-O 3.58Å; K154-V174 VanDerWaalsContact CA-O 3.29Å; K154-V174 WeakPolarHBondContact CA-O 3.46Å; A155-V174 HydrophobicContact CB-CG1 3.76Å; A155-V174 PolarHBondContact N-O 2.94Å; A155-V174 PolarHBondContact O-N 2.82Å
175R91.9Very high84.2Confident148 Ų14852.7 Ų52.756%0.55825%0.252SS*.EExtended strand (participates in β ladder)trans-118.8137.7-176.769.4-177.8-176.2-155.82.9112K19 E152K19-R175 WeakPolarHBondContact CD-O 3.44Å; K19-R175 WeakPolarHBondContact CE-O 3.45Å; K19-R175 PolarHBondContact NZ-O 2.79Å; E152-R175 HydrophobicContact CG-CB 4.34Å
176L90.9Very high85.3Confident2 Ų256.1 Ų56.11%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-129.8127.2179.6-59.2169000108.8K19 I28 L30 E152 V153 F382K19-L176 HydrophobicContact CB-CD2 3.56Å; K19-L176 HydrophobicContact CD-CD2 3.64Å; K19-L176 HydrophobicContact CG-CD2 4.27Å; I28-L176 HydrophobicContact CB-CD1 4.25Å; I28-L176 HydrophobicContact CD1-CD1 3.71Å; I28-L176 HydrophobicContact CG1-CD1 3.77Å; I28-L176 HydrophobicContact CG2-CD1 3.48Å; I28-L176 VanDerWaalsContact CG2-CD1 3.48Å; I28-L176 HydrophobicContact CG2-CD2 4.35Å; I28-L176 HydrophobicContact CG2-CG 3.99Å; L30-L176 HydrophobicContact CD1-CD1 3.59Å; L30-L176 HydrophobicContact CG-CD1 3.96Å; E152-L176 WeakPolarHBondContact CA-O 3.31Å; V153-L176 HydrophobicContact CB-CB 4.37Å; V153-L176 PolarHBondContact N-O 2.88Å; V153-L176 PolarHBondContact O-N 2.83Å; L176-F382 HydrophobicContact CB-CD1 4.19Å; L176-F382 HydrophobicContact CB-CE1 3.89Å; L176-F382 HydrophobicContact CB-CE2 4.29Å; L176-F382 HydrophobicContact CB-CZ 3.95Å; L176-F382 HydrophobicContact CD1-CD2 4.44Å; L176-F382 HydrophobicContact CD2-CB 3.53Å; L176-F382 HydrophobicContact CD2-CD1 3.49Å; L176-F382 VanDerWaalsContact CD2-CD1 3.49Å; L176-F382 HydrophobicContact CD2-CD2 3.67Å; L176-F382 HydrophobicContact CD2-CE1 4.06Å; L176-F382 HydrophobicContact CD2-CE2 4.21Å; L176-F382 HydrophobicContact CD2-CG 3.29Å; L176-F382 HydrophobicContact CD2-CZ 4.4Å; L176-F382 HydrophobicContact CG-CD1 4.45Å; L176-F382 HydrophobicContact CG-CD2 4.48Å; L176-F382 HydrophobicContact CG-CG 4.42Å
177L91.4Very high86.5Confident58 Ų5856.1 Ų56.130%0.30427%0.266SS..EExtended strand (participates in β ladder)trans-93108.1173-68.1176.3000109.6D150 F151 E152 F382D150-L177 HydrophobicContact CB-CD2 4.44Å; F151-L177 WeakPolarHBondContact O-CA 3.17Å; E152-L177 HydrophobicContact CB-CD2 4.11Å; E152-L177 HydrophobicContact CG-CD2 4.36Å; L177-F382 VanDerWaalsContact O-CE1 3.23Å; L177-F382 WeakPolarHBondContact O-CE1 3.4Å; L177-F382 WeakPolarHBondContact O-CZ 3.31Å
178I93.4Very high87.1Confident5 Ų554.7 Ų54.73%0.02626%0.263CS..EExtended strand (participates in β ladder)trans-93.7163.9176.362.3166.9000109.9L30 R33 Y35 V45 L65 F126 F151 V153 F382L30-I178 HydrophobicContact CD1-CG2 3.86Å; R33-I178 CarbonylContact O-C 3.29Å; R33-I178 WeakPolarHBondContact O-CA 3.44Å; Y35-I178 HydrophobicContact CD2-CB 4.09Å; Y35-I178 HydrophobicContact CD2-CD1 3.76Å; Y35-I178 HydrophobicContact CD2-CG1 4.46Å; Y35-I178 HydrophobicContact CD2-CG2 4.46Å; Y35-I178 HydrophobicContact CE2-CB 4.03Å; Y35-I178 HydrophobicContact CE2-CD1 3.86Å; Y35-I178 HydrophobicContact CE2-CG2 3.88Å; V45-I178 HydrophobicContact CG2-CD1 3.57Å; L65-I178 HydrophobicContact CD1-CD1 4.03Å; F126-I178 HydrophobicContact CE1-CD1 4.46Å; F126-I178 HydrophobicContact CZ-CD1 3.9Å; F151-I178 HydrophobicContact CB-CD1 4.21Å; F151-I178 HydrophobicContact CB-CG1 3.62Å; F151-I178 PolarHBondContact O-N 2.68Å; V153-I178 HydrophobicContact CG2-CD1 3.61Å; V153-I178 HydrophobicContact CG2-CG1 4Å; V153-I178 HydrophobicContact CG2-CG2 3.98Å; I178-F382 HydrophobicContact CG2-CE2 4.33Å; I178-F382 HydrophobicContact CG2-CZ 3.86Å
179R93.4Very high87.4Confident22 Ų2255 Ų558%0.08327%0.272CS..EExtended strand (participates in β ladder)trans-111.6138.5170.3-66.7-171.3-68.4-173.70.6111.2R33 D34 Y35 S133 V181 D300 D307 R384R33-R179 PolarHBondContact O-N 3.33Å; D34-R179 CarbonylContact C-O 3.56Å; D34-R179 WeakPolarHBondContact CA-O 3.47Å; D34-R179 WeakPolarHBondContact OD1-CB 3.31Å; D34-R179 IonicContact OD1-CZ 3.86Å; D34-R179 IonicContact OD1-NE 3.57Å; D34-R179 PolarHBondContact OD1-NE 2.81Å; D34-R179 IonicContact OD1-NH2 3.37Å; D34-R179 PolarHBondContact OD1-NH2 3.06Å; D34-R179 IonicContact OD2-CZ 2.91Å; D34-R179 IonicContact OD2-NE 2.73Å; D34-R179 IonicContact OD2-NH2 2.85Å; D34-R179 PolarHBondContact OD2-NH2 2.91Å; Y35-R179 PolarHBondContact N-O 2.92Å; S133-R179 VanDerWaalsContact OG-CA 3.31Å; S133-R179 WeakPolarHBondContact OG-CA 3.41Å; R179-V181 HydrophobicContact CB-CG2 3.82Å; R179-D300 WeakPolarHBondContact CD-O 3.44Å; R179-D300 IonicContact NH1-OD1 2.79Å; R179-D307 IonicContact CZ-OD2 3.66Å; R179-D307 PolarHBondContact NH1-O 2.84Å; R179-D307 PolarHBondContact NH2-O 2.93Å; R179-D307 IonicContact NH2-OD2 3.1Å; R179-D307 PolarHBondContact NH2-OD2 3.27Å; R179-D307 VanDerWaalsContact NH2-OD2 3.13Å; R179-R384 VanDerWaalsContact NH2-NH1 3.11Å
180K93.6Very high87.8Confident3 Ų358.6 Ų58.61%0.01330%0.295CS..EExtended strand (participates in β ladder)trans-96.7112161.4178.9171175.2-83.40107.7Y35 D37 V42 F126 L130 P131 C132 S133 F151Y35-K180 WeakPolarHBondContact O-CA 3.36Å; D37-K180 HydrophobicContact CB-CG 4.28Å; D37-K180 WeakPolarHBondContact OD2-CE 3.31Å; D37-K180 IonicContact OD2-NZ 3.72Å; D37-K180 PolarHBondContact OD2-NZ 2.55Å; V42-K180 HydrophobicContact CG1-CD 4.27Å; V42-K180 HydrophobicContact CG1-CG 4.44Å; F126-K180 HydrophobicContact CD1-CD 4.32Å; L130-K180 PolarHBondContact O-NZ 2.98Å; P131-K180 PolarHBondContact O-NZ 2.77Å; C132-K180 WeakPolarHBondContact CB-O 3.42Å; S133-K180 PolarHBondContact N-O 2.79Å; S133-K180 PolarHBondContact OG-N 3.13Å; F151-K180 HydrophobicContact CD2-CB 4.02Å; F151-K180 HydrophobicContact CE1-CB 4.47Å; F151-K180 HydrophobicContact CE1-CD 4.2Å; F151-K180 HydrophobicContact CE2-CB 3.68Å; F151-K180 HydrophobicContact CE2-CD 4.29Å; F151-K180 HydrophobicContact CZ-CB 3.92Å; F151-K180 HydrophobicContact CZ-CD 3.71Å; F151-K180 HydrophobicContact CZ-CG 4.44Å
181V91Very high88.1Confident11 Ų1157 Ų577%0.06729%0.291CS..EExtended strand (participates in β ladder)trans-114.6130-173-175.90000109.8D34 Y35 I36 D37 R179 H361D34-V181 HydrophobicContact CB-CG2 4.14Å; Y35-V181 PolarHBondContact O-N 2.68Å; I36-V181 WeakPolarHBondContact CA-O 3.22Å; D37-V181 PolarHBondContact N-O 3.45Å; R179-V181 HydrophobicContact CB-CG2 3.82Å; V181-H361 WeakPolarHBondContact CG1-CD2 3.24Å
182Q88.1Confident88.4Confident4 Ų451.6 Ų51.62%0.01927%0.269CS..EExtended strand (participates in β ladder)trans-88.6126.3177.4-148160.917.500111.3D37 S313 I315 M360D37-Q182 HydrophobicContact CB-CG 4.33Å; Q182-S313 PolarHBondContact OE1-O 3.45Å; Q182-I315 PolarHBondContact NE2-O 2.82Å; Q182-M360 HydrophobicContact CB-CE 4Å; Q182-M360 HydrophobicContact CG-CE 3.68Å
183H87.4Confident88.7Confident27 Ų2761 Ų6113%0.12530%0.304CS..BIsolated β-bridgetrans-100.1157.1173.1-78.6-118.6000110.5I36 D37 M360 P362 P364I36-H183 HydrophobicContact CG2-CB 3.97Å; D37-H183 PolarHBondContact O-N 3.09Å; H183-M360 VanDerWaalsContact O-CE 3.24Å; H183-M360 WeakPolarHBondContact O-CE 3.34Å; H183-P362 PolarHBondContact CE1-O 3.45Å; H183-P362 PolarHBondContact ND1-O 2.87Å; H183-P364 WeakPolarHBondContact ND1-CD 3.42Å
184A86.4Confident89Confident5 Ų560.9 Ų60.94%0.04130%0.304CS..PPolyproline II helixtrans-60.6143.9177.800000112.1I217 F219 M360 H361 Q363A184-I217 HydrophobicContact CB-CG2 4.01Å; A184-F219 HydrophobicContact CB-CE1 3.71Å; A184-M360 HydrophobicContact CB-CB 4.17Å; A184-M360 HydrophobicContact CB-SD 4.3Å; A184-H361 PolarHBondContact N-O 2.79Å; A184-Q363 WeakPolarHBondContact O-CG 3.27Å; A184-Q363 PolarHBondContact O-NE2 2.88Å
185P85.4Confident89.1Confident46 Ų4667.9 Ų67.930%0.29934%0.337SS..PPolyproline II helixtrans-62.8159.7167.228.8-35.3000111.2E187 I217 I315P185-E187 VanDerWaalsContact C-N 3.32Å; P185-I217 HydrophobicContact CG-CD1 3.64Å; P185-I315 HydrophobicContact CG-CD1 4.34Å
186L78.4Confident89.3Confident145 Ų14562 Ų6276%0.75932%0.32SS*.SBendtrans-65.6-37.1177.4-79.7163.3000112.1
187E80.8Confident89.4Confident167 Ų16765 Ų6578%0.7835%0.345SS*.SBendtrans-91124-175.9-63.6-174.6174.800110.5P185P185-E187 VanDerWaalsContact C-N 3.32Å
188M80.1Confident89.5Confident109 Ų10964.9 Ų64.954%0.53734%0.341SS..  trans-86.5129.2171.1-63.5-178.270.300109K215M188-K215 HydrophobicContact CE-CB 3.69Å; M188-K215 HydrophobicContact CE-CD 3.66Å; M188-K215 HydrophobicContact CE-CG 3.6Å
189G81.9Confident89.3Confident30 Ų3071.6 Ų71.631%0.30937%0.372SS..  trans-73.2-17917400000113.4E216G189-E216 WeakPolarHBondContact CA-OE2 3.3Å; G189-E216 PolarHBondContact N-OE2 2.96Å
190P89.7Confident88.8Confident113 Ų11372 Ų7273%0.73437%0.374SS*.PPolyproline II helixtrans-65.8158.3-178.229.3-35.5000111.8P192P190-P192 VanDerWaalsContact O-CD 3.27Å; P190-P192 WeakPolarHBondContact O-CD 3.23Å
191Q89.2Confident87.6Confident138 Ų13881.2 Ų81.265%0.64542%0.415SS*.PPolyproline II helixtrans-59.3121.4176.6-69.4179.86.300111.1R193 S214Q191-R193 PolarHBondContact O-N 2.86Å; Q191-S214 WeakPolarHBondContact CG-O 3.13Å
192P93.4Very high86.6Confident18 Ų1886.8 Ų86.812%0.11744%0.442CS..PPolyproline II helixtrans-63.5133.5176.4-22.933000111.5P190 S212 L213 K215 E216 V355P190-P192 VanDerWaalsContact O-CD 3.27Å; P190-P192 WeakPolarHBondContact O-CD 3.23Å; P192-S212 WeakPolarHBondContact O-CA 3.34Å; P192-L213 HydrophobicContact CB-CB 4.35Å; P192-L213 HydrophobicContact CB-CD1 4.11Å; P192-L213 HydrophobicContact CB-CG 4.34Å; P192-L213 HydrophobicContact CG-CB 4.34Å; P192-L213 HydrophobicContact CG-CD1 4.23Å; P192-L213 PolarHBondContact O-N 2.81Å; P192-K215 WeakPolarHBondContact CD-O 3.29Å; P192-E216 HydrophobicContact CG-CB 4.13Å; P192-E216 HydrophobicContact CG-CG 4.24Å; P192-V355 HydrophobicContact CB-CG1 3.44Å; P192-V355 VanDerWaalsContact CB-CG1 3.44Å
193R94.3Very high85.8Confident201 Ų20187 Ų8776%0.75844%0.444SS*.EExtended strand (participates in β ladder)trans-140.2141.817464.7-179.7-178.9176.6-0.1110.8Q191 V211Q191-R193 PolarHBondContact O-N 2.86Å; R193-V211 CarbonylContact C-O 3.56Å; R193-V211 VanDerWaalsContact CA-O 3.27Å; R193-V211 WeakPolarHBondContact CA-O 3.45Å
194A95.4Very high85.3Confident22 Ų2293.4 Ų93.418%0.18248%0.479CS..EExtended strand (participates in β ladder)trans-133.2142.6165.600000110A210 V211 V355A194-A210 WeakPolarHBondContact O-CA 3.34Å; A194-V211 PolarHBondContact N-O 3.15Å; A194-V211 PolarHBondContact O-N 2.79Å; A194-V355 HydrophobicContact CB-CG2 3.53Å
195E95.7Very high85.3Confident152 Ų15298.6 Ų98.671%0.7150%0.5SS*.EExtended strand (participates in β ladder)trans-126.7131.5174.2-67.5-178.3-167.500108.6L209 A210E195-L209 CarbonylContact C-O 3.55Å; E195-L209 WeakPolarHBondContact CA-O 3.38Å; E195-A210 HydrophobicContact CG-CB 3.81Å
196A95.2Very high85.6Confident25 Ų2598 Ų9821%0.20750%0.496CS..EExtended strand (participates in β ladder)trans-133.5145.7177.700000109.7W198 Q208 L209A196-W198 HydrophobicContact CB-CH2 3.6Å; A196-W198 HydrophobicContact CB-CZ2 3.56Å; A196-W198 HydrophobicContact CB-CZ3 4.23Å; A196-Q208 WeakPolarHBondContact O-CA 3.42Å; A196-L209 PolarHBondContact N-O 2.87Å; A196-L209 PolarHBondContact O-N 3.31Å
197A94Very high86.4Confident65 Ų6591 Ų9154%0.53746%0.46SS..EExtended strand (participates in β ladder)trans-129.2128.9175.800000109.4L207 Q208A197-L207 CarbonylContact C-O 3.58Å; A197-L207 WeakPolarHBondContact CA-O 3.43Å; A197-Q208 HydrophobicContact CB-CG 4.1Å
198W93Very high87.1Confident55 Ų5587.3 Ų87.321%0.20844%0.443CS..EExtended strand (participates in β ladder)trans-114.6140.1175.8-58.7-82.2000110.7A196 F200 P206 L207 L209 L337 V351 A352A196-W198 HydrophobicContact CB-CH2 3.6Å; A196-W198 HydrophobicContact CB-CZ2 3.56Å; A196-W198 HydrophobicContact CB-CZ3 4.23Å; W198-F200 HydrophobicContact CB-CE2 4.46Å; W198-F200 HydrophobicContact CB-CZ 4.39Å; W198-P206 CarbonylContact O-C 3.6Å; W198-P206 WeakPolarHBondContact O-CA 3.48Å; W198-L207 HydrophobicContact CE3-CD2 4.42Å; W198-L207 HydrophobicContact CE3-CG 4.4Å; W198-L207 PolarHBondContact N-O 3.45Å; W198-L207 PolarHBondContact O-N 3.22Å; W198-L209 HydrophobicContact CH2-CB 3.89Å; W198-L209 HydrophobicContact CH2-CD2 3.7Å; W198-L209 HydrophobicContact CH2-CG 4.42Å; W198-L209 HydrophobicContact CZ3-CB 3.49Å; W198-L209 VanDerWaalsContact CZ3-CB 3.49Å; W198-L209 HydrophobicContact CZ3-CD2 3.97Å; W198-L209 HydrophobicContact CZ3-CG 4.38Å; W198-L337 HydrophobicContact CZ3-CD1 4.26Å; W198-V351 HydrophobicContact CB-CG1 4.34Å; W198-V351 HydrophobicContact CD2-CB 3.69Å; W198-V351 HydrophobicContact CD2-CG1 3.97Å; W198-V351 HydrophobicContact CD2-CG2 3.88Å; W198-V351 HydrophobicContact CE3-CB 4.04Å; W198-V351 HydrophobicContact CE3-CG2 3.68Å; W198-V351 HydrophobicContact CG-CB 4.08Å; W198-V351 HydrophobicContact CG-CG1 3.82Å; W198-V351 HydrophobicContact CH2-CB 4.31Å; W198-V351 HydrophobicContact CH2-CG2 4.19Å; W198-V351 HydrophobicContact CZ2-CB 4.03Å; W198-V351 HydrophobicContact CZ2-CG2 4.4Å; W198-V351 HydrophobicContact CZ3-CB 4.31Å; W198-V351 HydrophobicContact CZ3-CG2 3.82Å; W198-A352 WeakPolarHBondContact CZ2-O 3.35Å
199Q88.8Confident87.9Confident146 Ų14682.2 Ų82.268%0.68242%0.417SS*.  trans-113.6137.2169.2-69.1176.7-14.500108P206Q199-P206 HydrophobicContact CG-CB 4.26Å
200F82.1Confident88.7Confident29 Ų2982.1 Ų82.113%0.12741%0.414CS..  trans-106.3147.2-179.3-61.9-83000109.4W198 M202 S203 L207 T234 K236 V339 V351W198-F200 HydrophobicContact CB-CE2 4.46Å; W198-F200 HydrophobicContact CB-CZ 4.39Å; F200-M202 PolarHBondContact O-N 3.29Å; F200-S203 PolarHBondContact O-N 2.96Å; F200-L207 HydrophobicContact CE2-CB 3.98Å; F200-L207 HydrophobicContact CE2-CD2 4.02Å; F200-L207 HydrophobicContact CZ-CD2 4.17Å; F200-T234 HydrophobicContact CD2-CG2 4.23Å; F200-T234 HydrophobicContact CE2-CG2 4.35Å; F200-K236 HydrophobicContact CB-CD 4.32Å; F200-K236 HydrophobicContact CD2-CD 4.1Å; F200-K236 HydrophobicContact CG-CD 4.05Å; F200-V339 HydrophobicContact CE2-CG1 4.4Å; F200-V339 HydrophobicContact CZ-CB 4.28Å; F200-V339 HydrophobicContact CZ-CG1 4.18Å; F200-V339 HydrophobicContact CZ-CG2 4.02Å; F200-V351 HydrophobicContact CE1-CG1 4.13Å; F200-V351 HydrophobicContact CZ-CG1 4.05Å
201F70.3Confident89.1Confident198 Ų19876.8 Ų76.887%0.86838%0.379SS*.THydrogen-bonded Turntrans-54.5128.8170-79.2-85.3000109.8
202M68.1Low89.4Confident128 Ų12872.4 Ų72.463%0.63136%0.364SS*.THydrogen-bonded Turntrans70.518.3-173.5-60-179.4-82.800116.8F200 F342F200-M202 PolarHBondContact O-N 3.29Å; M202-F342 HydrophobicContact CE-CD1 3.73Å; M202-F342 HydrophobicContact CE-CD2 3.41Å; M202-F342 VanDerWaalsContact CE-CD2 3.41Å; M202-F342 HydrophobicContact CE-CE1 3.5Å; M202-F342 HydrophobicContact CE-CE2 3.15Å; M202-F342 HydrophobicContact CE-CG 3.7Å; M202-F342 HydrophobicContact CE-CZ 3.21Å; M202-F342 HydrophobicContact SD-CD2 4.37Å; M202-F342 HydrophobicContact SD-CE2 3.67Å; M202-F342 HydrophobicContact SD-CZ 3.81Å
203S71.8Confident89.6Confident9 Ų971.7 Ų71.76%0.06336%0.359CS..  trans-129.4115.7164.7-163.90000110.3F200 K205F200-S203 PolarHBondContact O-N 2.96Å; S203-K205 PolarHBondContact O-N 3.45Å
204D76.6Confident89.5Confident160 Ų16064.6 Ų64.686%0.85634%0.34SS*.  trans-76.9-7.8-174.6-58.3-22.1000113.1
205K86.8Confident89.4Confident114 Ų11466.9 Ų66.950%0.49635%0.346SS..SBendtrans-112.7146.1-176.1-67.1-177.9-178.1179.20111.2S203 N233 T234S203-K205 PolarHBondContact O-N 3.45Å; K205-N233 HydrophobicContact CB-CB 3.98Å; K205-N233 WeakPolarHBondContact CB-O 3.44Å; K205-N233 HydrophobicContact CD-CB 4.37Å; K205-N233 WeakPolarHBondContact CD-O 3.41Å; K205-T234 WeakPolarHBondContact O-CG2 3.39Å
206P92.8Very high89.3Confident33 Ų3361.3 Ų61.321%0.21432%0.32CS..  trans-84149.1-174.732.8-35.1000113.3W198 Q199 Q208 N233W198-P206 CarbonylContact O-C 3.6Å; W198-P206 WeakPolarHBondContact O-CA 3.48Å; Q199-P206 HydrophobicContact CG-CB 4.26Å; P206-Q208 HydrophobicContact CB-CG 4.44Å; P206-Q208 HydrophobicContact CG-CG 4.44Å; P206-N233 WeakPolarHBondContact O-CB 3.07Å; P206-N233 PolarHBondContact O-N 3.41Å
207L94.5Very high89.3Confident0 Ų060.3 Ų60.30%031%0.311CS..EExtended strand (participates in β ladder)trans-91115.2158.9176.362.6000108.1A197 W198 F200 V230 N232 T234 V238 L337 V339 V351A197-L207 CarbonylContact C-O 3.58Å; A197-L207 WeakPolarHBondContact CA-O 3.43Å; W198-L207 HydrophobicContact CE3-CD2 4.42Å; W198-L207 HydrophobicContact CE3-CG 4.4Å; W198-L207 PolarHBondContact N-O 3.45Å; W198-L207 PolarHBondContact O-N 3.22Å; F200-L207 HydrophobicContact CE2-CB 3.98Å; F200-L207 HydrophobicContact CE2-CD2 4.02Å; F200-L207 HydrophobicContact CZ-CD2 4.17Å; L207-V230 HydrophobicContact CD1-CG1 3.78Å; L207-N232 HydrophobicContact CD1-CB 3.8Å; L207-T234 HydrophobicContact CB-CG2 3.66Å; L207-V238 HydrophobicContact CD1-CG2 4.04Å; L207-V238 HydrophobicContact CD2-CG2 4.25Å; L207-L337 HydrophobicContact CD2-CD1 4.07Å; L207-V339 HydrophobicContact CD2-CG2 3.74Å; L207-V351 HydrophobicContact CD2-CG2 4.25Å
208Q96.1Very high89.3Confident88 Ų8857.2 Ų57.241%0.41129%0.286SS..EExtended strand (participates in β ladder)trans-102.8139178-63.4174.3-39.800110.5A196 A197 P206 T231A196-Q208 WeakPolarHBondContact O-CA 3.42Å; A197-Q208 HydrophobicContact CB-CG 4.1Å; P206-Q208 HydrophobicContact CB-CG 4.44Å; P206-Q208 HydrophobicContact CG-CG 4.44Å; Q208-T231 PolarHBondContact N-O 3.23Å; Q208-T231 PolarHBondContact O-N 3.24Å
209L97.3Very high89.4Confident2 Ų257.9 Ų57.91%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-129.4122.3174.8178.163.6000109E195 A196 W198 V211 V228 T229 V230 V335 L337 T353E195-L209 CarbonylContact C-O 3.55Å; E195-L209 WeakPolarHBondContact CA-O 3.38Å; A196-L209 PolarHBondContact N-O 2.87Å; A196-L209 PolarHBondContact O-N 3.31Å; W198-L209 HydrophobicContact CH2-CB 3.89Å; W198-L209 HydrophobicContact CH2-CD2 3.7Å; W198-L209 HydrophobicContact CH2-CG 4.42Å; W198-L209 HydrophobicContact CZ3-CB 3.49Å; W198-L209 VanDerWaalsContact CZ3-CB 3.49Å; W198-L209 HydrophobicContact CZ3-CD2 3.97Å; W198-L209 HydrophobicContact CZ3-CG 4.38Å; L209-V211 HydrophobicContact CD1-CG2 4.27Å; L209-V211 HydrophobicContact CD2-CG2 4.21Å; L209-V211 HydrophobicContact CG-CG2 3.98Å; L209-V228 HydrophobicContact CD1-CG1 3.44Å; L209-V228 VanDerWaalsContact CD1-CG1 3.44Å; L209-T229 WeakPolarHBondContact CA-O 3.47Å; L209-V230 HydrophobicContact CD1-CG2 3.85Å; L209-V335 HydrophobicContact CD1-CG1 4.47Å; L209-V335 HydrophobicContact CD2-CB 4.32Å; L209-V335 HydrophobicContact CD2-CG1 4.06Å; L209-L337 HydrophobicContact CB-CD1 4.27Å; L209-L337 HydrophobicContact CD1-CD1 4.13Å; L209-L337 HydrophobicContact CD1-CD2 4.39Å; L209-L337 HydrophobicContact CD2-CD1 3.98Å; L209-L337 HydrophobicContact CD2-CG 4.11Å; L209-L337 HydrophobicContact CG-CD1 4.37Å; L209-T353 HydrophobicContact CD2-CG2 3.53Å; L209-T353 HydrophobicContact CG-CG2 4.16Å
210A97.4Very high89.7Confident28 Ų2852.6 Ų52.623%0.23127%0.265CS..EExtended strand (participates in β ladder)trans-111.3131.4168.200000109.2A194 E195 T229A194-A210 WeakPolarHBondContact O-CA 3.34Å; E195-A210 HydrophobicContact CG-CB 3.81Å; A210-T229 PolarHBondContact N-O 2.82Å; A210-T229 PolarHBondContact O-N 3.06Å
211V97.6Very high90.2Very high2 Ų253.2 Ų53.21%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-123.6130.8176.8-176.20000108.2R193 A194 L209 V226 T227 V335 T353 V355R193-V211 CarbonylContact C-O 3.56Å; R193-V211 VanDerWaalsContact CA-O 3.27Å; R193-V211 WeakPolarHBondContact CA-O 3.45Å; A194-V211 PolarHBondContact N-O 3.15Å; A194-V211 PolarHBondContact O-N 2.79Å; L209-V211 HydrophobicContact CD1-CG2 4.27Å; L209-V211 HydrophobicContact CD2-CG2 4.21Å; L209-V211 HydrophobicContact CG-CG2 3.98Å; V211-V226 HydrophobicContact CG1-CG1 3.74Å; V211-T227 WeakPolarHBondContact CA-O 3.31Å; V211-V335 HydrophobicContact CB-CG2 4.41Å; V211-V335 HydrophobicContact CG1-CG2 3.8Å; V211-V335 HydrophobicContact CG2-CB 3.91Å; V211-V335 HydrophobicContact CG2-CG1 4.39Å; V211-V335 HydrophobicContact CG2-CG2 3.66Å; V211-T353 HydrophobicContact CB-CG2 4.41Å; V211-T353 HydrophobicContact CG2-CG2 3.54Å; V211-V355 HydrophobicContact CB-CG2 3.84Å; V211-V355 HydrophobicContact CG1-CG2 3.78Å
212S96.6Very high91.4Very high46 Ų4645.6 Ų45.632%0.32225%0.247SC..EExtended strand (participates in β ladder)trans-135.8146.8176.361.10000112.3P192 T227P192-S212 WeakPolarHBondContact O-CA 3.34Å; S212-T227 PolarHBondContact N-O 3.5Å; S212-T227 PolarHBondContact O-N 3.12Å
213L96.8Very high92.8Very high3 Ų342.8 Ų42.82%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-112.3153.1175.8-54.4-178000110.2P192 K215 Y218 V226 I333 V355 F357P192-L213 HydrophobicContact CB-CB 4.35Å; P192-L213 HydrophobicContact CB-CD1 4.11Å; P192-L213 HydrophobicContact CB-CG 4.34Å; P192-L213 HydrophobicContact CG-CB 4.34Å; P192-L213 HydrophobicContact CG-CD1 4.23Å; P192-L213 PolarHBondContact O-N 2.81Å; L213-K215 VanDerWaalsContact C-N 3.35Å; L213-Y218 HydrophobicContact CB-CE2 4.47Å; L213-V226 HydrophobicContact CD2-CB 4.17Å; L213-V226 HydrophobicContact CD2-CG1 4.13Å; L213-V226 HydrophobicContact CD2-CG2 3.72Å; L213-I333 HydrophobicContact CD1-CG1 4.02Å; L213-I333 HydrophobicContact CD2-CG1 3.93Å; L213-V355 HydrophobicContact CD1-CG1 4.02Å; L213-V355 HydrophobicContact CG-CG1 4.24Å; L213-F357 HydrophobicContact CD1-CB 3.79Å; L213-F357 HydrophobicContact CD1-CD1 4.41Å; L213-F357 HydrophobicContact CD1-CG 4.3Å
214S93.5Very high94Very high52 Ų5242.3 Ų42.336%0.36424%0.235SC..SBendtrans-73.6-27.6178.2600000113.3Q191 Y218 P225Q191-S214 WeakPolarHBondContact CG-O 3.13Å; S214-Y218 PolarHBondContact N-OH 3.13Å; S214-Y218 VanDerWaalsContact N-OH 3.12Å; S214-Y218 PolarHBondContact OG-OH 3.37Å; S214-P225 WeakPolarHBondContact OG-CG 3.39Å
215K93.5Very high95Very high69 Ų6936.5 Ų36.530%0.321%0.206SC..  trans-142.9153.8-175.3-60.7174.5175.9178.60110.3M188 P192 L213 I217 Y218 E222M188-K215 HydrophobicContact CE-CB 3.69Å; M188-K215 HydrophobicContact CE-CD 3.66Å; M188-K215 HydrophobicContact CE-CG 3.6Å; P192-K215 WeakPolarHBondContact CD-O 3.29Å; L213-K215 VanDerWaalsContact C-N 3.35Å; K215-I217 WeakPolarHBondContact CB-O 3.36Å; K215-Y218 HydrophobicContact CB-CE1 4.19Å; K215-Y218 HydrophobicContact CB-CE2 4.08Å; K215-Y218 HydrophobicContact CD-CE1 4.26Å; K215-Y218 PolarHBondContact N-OH 2.74Å; K215-Y218 VanDerWaalsContact N-OH 3.17Å; K215-Y218 WeakPolarHBondContact O-CE2 3.3Å; K215-E222 IonicContact NZ-OE1 2.72Å; K215-E222 PolarHBondContact NZ-OE1 2.66Å
216E92.8Very high95.5Very high35 Ų3531.1 Ų31.116%0.16418%0.183CC..SBendtrans-77.8-35.3168.6-168.7-162.9-168.700111.7G189 P192 R358G189-E216 WeakPolarHBondContact CA-OE2 3.3Å; G189-E216 PolarHBondContact N-OE2 2.96Å; P192-E216 HydrophobicContact CG-CB 4.13Å; P192-E216 HydrophobicContact CG-CG 4.24Å; E216-R358 PolarHBondContact O-N 3.17Å; E216-R358 IonicContact OE1-CZ 3.54Å; E216-R358 IonicContact OE1-NH1 3.43Å; E216-R358 PolarHBondContact OE1-NH1 2.68Å; E216-R358 IonicContact OE1-NH2 3.55Å; E216-R358 PolarHBondContact OE1-NH2 2.94Å; E216-R358 IonicContact OE2-NH1 2.74Å; E216-R358 PolarHBondContact OE2-NH1 2.88Å
217I94.4Very high95.7Very high4 Ų431.4 Ų31.42%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-116.6127-175.9-48.8-176.6000109A184 P185 K215 R358 M360A184-I217 HydrophobicContact CB-CG2 4.01Å; P185-I217 HydrophobicContact CG-CD1 3.64Å; K215-I217 WeakPolarHBondContact CB-O 3.36Å; I217-R358 CarbonylContact C-O 3.46Å; I217-R358 WeakPolarHBondContact CA-O 3.15Å; I217-R358 HydrophobicContact CG1-CB 4.25Å; I217-R358 HydrophobicContact CG2-CB 4.41Å; I217-M360 HydrophobicContact CG2-CB 4.49Å; I217-M360 HydrophobicContact CG2-CG 4.45Å; I217-M360 HydrophobicContact CG2-SD 4.48Å
218Y95.4Very high95.9Very high0 Ų031.6 Ų31.60%019%0.185CC..EExtended strand (participates in β ladder)trans-117.3151.2173.1-70.1-86.4000110L213 S214 K215 E222 I224 F357 R358 L359 M360L213-Y218 HydrophobicContact CB-CE2 4.47Å; S214-Y218 PolarHBondContact N-OH 3.13Å; S214-Y218 VanDerWaalsContact N-OH 3.12Å; S214-Y218 PolarHBondContact OG-OH 3.37Å; K215-Y218 HydrophobicContact CB-CE1 4.19Å; K215-Y218 HydrophobicContact CB-CE2 4.08Å; K215-Y218 HydrophobicContact CD-CE1 4.26Å; K215-Y218 PolarHBondContact N-OH 2.74Å; K215-Y218 VanDerWaalsContact N-OH 3.17Å; K215-Y218 WeakPolarHBondContact O-CE2 3.3Å; Y218-E222 HydrophobicContact CD1-CG 4.29Å; Y218-I224 HydrophobicContact CD1-CB 4.45Å; Y218-I224 HydrophobicContact CD1-CG1 3.88Å; Y218-I224 HydrophobicContact CD2-CD1 4.43Å; Y218-I224 HydrophobicContact CD2-CG1 4.28Å; Y218-I224 HydrophobicContact CD2-CG2 4.26Å; Y218-I224 HydrophobicContact CE1-CB 4.36Å; Y218-I224 HydrophobicContact CE1-CG1 4.29Å; Y218-I224 HydrophobicContact CE1-CG2 4.17Å; Y218-I224 HydrophobicContact CE2-CG2 3.86Å; Y218-I224 HydrophobicContact CG-CD1 4.29Å; Y218-I224 HydrophobicContact CG-CG1 3.88Å; Y218-F357 AromaticContact CD2-CD2 3.75Å; Y218-F357 HydrophobicContact CD2-CD2 3.75Å; Y218-F357 HydrophobicContact CD2-CE2 4.31Å; Y218-F357 HydrophobicContact CD2-CG 4.45Å; Y218-F357 HydrophobicContact CE2-CD2 4.5Å; Y218-R358 PolarHBondContact N-O 2.76Å; Y218-L359 WeakPolarHBondContact O-CA 3.04Å; Y218-M360 PolarHBondContact O-N 2.77Å
219F94.9Very high96Very high69 Ų6929.2 Ų29.230%0.30318%0.176SC..EExtended strand (participates in β ladder)trans-94.4154.6176.3-56.9-55.5000112.7A184 G221 E222 M360 P362A184-F219 HydrophobicContact CB-CE1 3.71Å; F219-G221 PolarHBondContact O-N 2.98Å; F219-E222 HydrophobicContact CB-CB 4.3Å; F219-E222 WeakPolarHBondContact CD2-OE2 3.47Å; F219-E222 PolarHBondContact N-OE2 3.43Å; F219-E222 WeakPolarHBondContact O-CB 3.42Å; F219-E222 PolarHBondContact O-N 2.81Å; F219-M360 VanDerWaalsContact CA-O 3.32Å; F219-M360 WeakPolarHBondContact CA-O 3.39Å; F219-P362 HydrophobicContact CD1-CB 3.89Å; F219-P362 HydrophobicContact CD2-CB 4.4Å; F219-P362 HydrophobicContact CE1-CB 4.02Å; F219-P362 HydrophobicContact CE2-CB 4.5Å; F219-P362 HydrophobicContact CG-CB 4.09Å; F219-P362 HydrophobicContact CZ-CB 4.32Å
220H94.2Very high96Very high35 Ų3529.1 Ų29.116%0.16218%0.176CC..THydrogen-bonded Turntrans-55.5126.7170.9-67.8-65.8000110.5E222 L310 S312 M360 H361H220-E222 VanDerWaalsContact C-N 3.3Å; H220-L310 PolarHBondContact CE1-O 2.81Å; H220-L310 PolarHBondContact NE2-O 2.98Å; H220-S312 PolarHBondContact NE2-OG 3.5Å; H220-M360 PolarHBondContact CD2-O 3.04Å; H220-M360 PolarHBondContact N-O 3.4Å; H220-H361 AromaticContact CD2-CD2 3.88Å; H220-H361 AromaticContact CD2-CE1 3.53Å; H220-H361 AromaticContact CD2-CG 3.83Å; H220-H361 AromaticContact CD2-ND1 3.61Å; H220-H361 AromaticContact CD2-NE2 3.7Å; H220-H361 AromaticContact NE2-NE2 3.93Å
221G93.1Very high96Very high42 Ų4229.4 Ų29.443%0.43318%0.175SC..THydrogen-bonded Turntrans82.9-4.1-175.300000115.5F219 L285F219-G221 PolarHBondContact O-N 2.98Å; G221-L285 WeakPolarHBondContact O-CD1 3.29Å
222E95.4Very high95.8Very high39 Ų3929.3 Ų29.318%0.18218%0.175CC..  trans-79.7132.7173-170.1-179.4178.700110.9K215 Y218 F219 H220K215-E222 IonicContact NZ-OE1 2.72Å; K215-E222 PolarHBondContact NZ-OE1 2.66Å; Y218-E222 HydrophobicContact CD1-CG 4.29Å; F219-E222 HydrophobicContact CB-CB 4.3Å; F219-E222 WeakPolarHBondContact CD2-OE2 3.47Å; F219-E222 PolarHBondContact N-OE2 3.43Å; F219-E222 WeakPolarHBondContact O-CB 3.42Å; F219-E222 PolarHBondContact O-N 2.81Å; H220-E222 VanDerWaalsContact C-N 3.3Å
223P96.8Very high95.7Very high68 Ų6829.8 Ų29.844%0.44217%0.173SC..  trans-67.2138.7172-17.530.2000112.4P225 T283 L285P223-P225 VanDerWaalsContact O-CD 3.27Å; P223-P225 WeakPolarHBondContact O-CD 3.4Å; P223-T283 HydrophobicContact CB-CG2 3.49Å; P223-T283 VanDerWaalsContact CB-CG2 3.49Å; P223-L285 HydrophobicContact CB-CD1 4.45Å; P223-L285 HydrophobicContact CG-CD1 4.26Å
224I97.8Very high95.4Very high0 Ų029.6 Ų29.60%017%0.172CC..EExtended strand (participates in β ladder)trans-106.1101.8-178.2-54.4-180000109.3Y218 V226 V245 T283 L284 P286 I333 F357Y218-I224 HydrophobicContact CD1-CB 4.45Å; Y218-I224 HydrophobicContact CD1-CG1 3.88Å; Y218-I224 HydrophobicContact CD2-CD1 4.43Å; Y218-I224 HydrophobicContact CD2-CG1 4.28Å; Y218-I224 HydrophobicContact CD2-CG2 4.26Å; Y218-I224 HydrophobicContact CE1-CB 4.36Å; Y218-I224 HydrophobicContact CE1-CG1 4.29Å; Y218-I224 HydrophobicContact CE1-CG2 4.17Å; Y218-I224 HydrophobicContact CE2-CG2 3.86Å; Y218-I224 HydrophobicContact CG-CD1 4.29Å; Y218-I224 HydrophobicContact CG-CG1 3.88Å; I224-V226 HydrophobicContact CG2-CG2 4.17Å; I224-V226 PolarHBondContact O-N 2.72Å; I224-V245 HydrophobicContact CD1-CG2 4.38Å; I224-T283 WeakPolarHBondContact O-CA 3.44Å; I224-L284 PolarHBondContact N-O 3.48Å; I224-L284 PolarHBondContact O-N 2.95Å; I224-P286 HydrophobicContact CD1-CG 3.73Å; I224-I333 HydrophobicContact CG2-CD1 4.3Å; I224-F357 HydrophobicContact CD1-CD2 4.42Å; I224-F357 HydrophobicContact CD1-CE2 3.54Å; I224-F357 HydrophobicContact CD1-CZ 3.61Å
225P97.4Very high95.2Very high38 Ų3834.6 Ų34.625%0.24719%0.19CC..EExtended strand (participates in β ladder)trans-78.3115174.531.6-33000110.4S214 P223 T281S214-P225 WeakPolarHBondContact OG-CG 3.39Å; P223-P225 VanDerWaalsContact O-CD 3.27Å; P223-P225 WeakPolarHBondContact O-CD 3.4Å; P225-T281 HydrophobicContact CB-CG2 3.93Å
226V97.8Very high95Very high0 Ų032.6 Ų32.60%018%0.181CC..EExtended strand (participates in β ladder)trans-103.4111.6176.9-176.90000108.9V211 L213 I224 V228 T281 L282 L284 I333 V335V211-V226 HydrophobicContact CG1-CG1 3.74Å; L213-V226 HydrophobicContact CD2-CB 4.17Å; L213-V226 HydrophobicContact CD2-CG1 4.13Å; L213-V226 HydrophobicContact CD2-CG2 3.72Å; I224-V226 HydrophobicContact CG2-CG2 4.17Å; I224-V226 PolarHBondContact O-N 2.72Å; V226-V228 HydrophobicContact CG1-CG2 3.93Å; V226-T281 CarbonylContact O-C 3.53Å; V226-T281 VanDerWaalsContact O-CA 3.3Å; V226-T281 WeakPolarHBondContact O-CA 3.5Å; V226-L282 PolarHBondContact N-O 2.95Å; V226-L282 PolarHBondContact O-N 3.06Å; V226-L284 HydrophobicContact CB-CD1 4.14Å; V226-L284 HydrophobicContact CG2-CD1 3.49Å; V226-L284 VanDerWaalsContact CG2-CD1 3.49Å; V226-I333 HydrophobicContact CG1-CG2 3.77Å; V226-I333 HydrophobicContact CG2-CD1 3.99Å; V226-I333 HydrophobicContact CG2-CG1 4.07Å; V226-I333 HydrophobicContact CG2-CG2 3.9Å; V226-V335 HydrophobicContact CG1-CG2 4.2Å
227T97.6Very high94.9Very high40 Ų4033 Ų3325%0.24519%0.186CC..EExtended strand (participates in β ladder)trans-90.8124175.9-58.50000109.5V211 S212 T279 T281V211-T227 WeakPolarHBondContact CA-O 3.31Å; S212-T227 PolarHBondContact N-O 3.5Å; S212-T227 PolarHBondContact O-N 3.12Å; T227-T279 HydrophobicContact CG2-CG2 4.13Å; T227-T281 PolarHBondContact OG1-OG1 3.4Å; T227-T281 VanDerWaalsContact OG1-OG1 3.1Å
228V97.6Very high94.9Very high3 Ų332.9 Ų32.92%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-120.3120.9-176.3-174.20000108.6L209 V226 V230 I241 T279 K280 V335L209-V228 HydrophobicContact CD1-CG1 3.44Å; L209-V228 VanDerWaalsContact CD1-CG1 3.44Å; V226-V228 HydrophobicContact CG1-CG2 3.93Å; V228-V230 HydrophobicContact CG1-CG2 4.13Å; V228-I241 HydrophobicContact CG1-CG2 4.32Å; V228-T279 CarbonylContact O-C 3.57Å; V228-T279 WeakPolarHBondContact O-CA 3.37Å; V228-K280 PolarHBondContact N-O 3.44Å; V228-K280 PolarHBondContact O-N 3.37Å; V228-V335 HydrophobicContact CG1-CG1 3.95Å; V228-V335 HydrophobicContact CG2-CG1 4.17Å; V228-V335 HydrophobicContact CG2-CG2 4.06Å
229T97.7Very high94.8Very high38 Ų3835.6 Ų35.623%0.23320%0.197CC..EExtended strand (participates in β ladder)trans-114.1113.4173.2-60.50000109L209 A210 T277 L278 T279L209-T229 WeakPolarHBondContact CA-O 3.47Å; A210-T229 PolarHBondContact N-O 2.82Å; A210-T229 PolarHBondContact O-N 3.06Å; T229-T277 HydrophobicContact CG2-CG2 4.22Å; T229-L278 CarbonylContact C-O 3.5Å; T229-L278 WeakPolarHBondContact CA-O 3.3Å; T229-T279 WeakPolarHBondContact CG2-OG1 3.43Å; T229-T279 WeakPolarHBondContact OG1-CG2 3.18Å; T229-T279 PolarHBondContact OG1-OG1 3.39Å
230V97.5Very high94.7Very high1 Ų135.4 Ų35.41%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-103115.7175.7-1760000107.9L207 L209 V228 V238 I241 V272 T277 L278 L337L207-V230 HydrophobicContact CD1-CG1 3.78Å; L209-V230 HydrophobicContact CD1-CG2 3.85Å; V228-V230 HydrophobicContact CG1-CG2 4.13Å; V230-V238 HydrophobicContact CG1-CG2 4.25Å; V230-I241 HydrophobicContact CG2-CD1 3.96Å; V230-V272 HydrophobicContact CB-CG2 4.16Å; V230-V272 HydrophobicContact CG1-CB 4.34Å; V230-V272 HydrophobicContact CG1-CG1 4.15Å; V230-V272 HydrophobicContact CG1-CG2 4.12Å; V230-V272 HydrophobicContact CG2-CG2 4.48Å; V230-T277 CarbonylContact O-C 3.57Å; V230-T277 VanDerWaalsContact O-CA 3.25Å; V230-T277 WeakPolarHBondContact O-CA 3.31Å; V230-T277 WeakPolarHBondContact O-CG2 3.39Å; V230-L278 PolarHBondContact N-O 2.89Å; V230-L278 PolarHBondContact O-N 3.35Å; V230-L337 HydrophobicContact CG1-CD1 4.36Å; V230-L337 HydrophobicContact CG2-CD1 4.37Å; V230-L337 HydrophobicContact CG2-CD2 4.04Å
231T96.8Very high94.8Very high34 Ų3434 Ų3421%0.20919%0.19CC..EExtended strand (participates in β ladder)trans-106.1101.2171.4-58.50000108Q208 N233Q208-T231 PolarHBondContact N-O 3.23Å; Q208-T231 PolarHBondContact O-N 3.24Å; T231-N233 PolarHBondContact O-N 2.95Å
232N95.2Very high95.1Very high0 Ų034.8 Ų34.80%018%0.182CC..EExtended strand (participates in β ladder)trans-97.593.3-174.6-175.211.2000110.7L207 T234 K236 V272 P273 N275 S276L207-N232 HydrophobicContact CD1-CB 3.8Å; N232-T234 VanDerWaalsContact C-N 3.29Å; N232-T234 WeakPolarHBondContact OD1-CB 3.42Å; N232-T234 PolarHBondContact OD1-N 2.68Å; N232-T234 VanDerWaalsContact OD1-N 3.09Å; N232-T234 PolarHBondContact OD1-OG1 2.83Å; N232-K236 PolarHBondContact ND2-O 2.64Å; N232-V272 HydrophobicContact CB-CG1 3.77Å; N232-V272 PolarHBondContact ND2-O 3.39Å; N232-P273 PolarHBondContact ND2-O 3.23Å; N232-P273 VanDerWaalsContact ND2-O 3.1Å; N232-N275 CarbonylContact O-C 3.6Å; N232-N275 WeakPolarHBondContact O-CA 3.34Å; N232-N275 PolarHBondContact O-N 2.68Å; N232-S276 WeakPolarHBondContact CB-O 3.42Å; N232-S276 PolarHBondContact N-O 3.35Å; N232-S276 PolarHBondContact O-N 3.01Å; N232-S276 VanDerWaalsContact O-N 3.13Å
233N93Very high95.2Very high55 Ų5533 Ų3329%0.29417%0.173SC..  trans-892.2173.1-58.5-46.5000112.6K205 P206 T231K205-N233 HydrophobicContact CB-CB 3.98Å; K205-N233 WeakPolarHBondContact CB-O 3.44Å; K205-N233 HydrophobicContact CD-CB 4.37Å; K205-N233 WeakPolarHBondContact CD-O 3.41Å; P206-N233 WeakPolarHBondContact O-CB 3.07Å; P206-N233 PolarHBondContact O-N 3.41Å; T231-N233 PolarHBondContact O-N 2.95Å
234T91.3Very high95.2Very high0 Ų031.4 Ų31.40%016%0.159CC..SBendtrans-81.6171-178.481.60000111.4F200 K205 L207 N232 K236 P274F200-T234 HydrophobicContact CD2-CG2 4.23Å; F200-T234 HydrophobicContact CE2-CG2 4.35Å; K205-T234 WeakPolarHBondContact O-CG2 3.39Å; L207-T234 HydrophobicContact CB-CG2 3.66Å; N232-T234 VanDerWaalsContact C-N 3.29Å; N232-T234 WeakPolarHBondContact OD1-CB 3.42Å; N232-T234 PolarHBondContact OD1-N 2.68Å; N232-T234 VanDerWaalsContact OD1-N 3.09Å; N232-T234 PolarHBondContact OD1-OG1 2.83Å; T234-K236 VanDerWaalsContact C-N 3.28Å; T234-K236 PolarHBondContact OG1-N 3.24Å; T234-K236 PolarHBondContact OG1-O 3.44Å; T234-P274 WeakPolarHBondContact O-CA 3.26Å; T234-P274 WeakPolarHBondContact O-CB 3.44Å
235E88.6Confident95.3Very high156 Ų15631.4 Ų31.473%0.72916%0.159SC*.SBendtrans-84.1-3171.3-59.3-173.9167.700113.2P274E235-P274 VanDerWaalsContact O-CG 3.31Å; E235-P274 WeakPolarHBondContact O-CG 3.24Å
236K89.3Confident95.3Very high28 Ų2830.5 Ų30.512%0.12215%0.152CC..SBendtrans-95.4150.9-176.5-62.3174.9178.9-63.10110.5F200 N232 T234 V339 S340F200-K236 HydrophobicContact CB-CD 4.32Å; F200-K236 HydrophobicContact CD2-CD 4.1Å; F200-K236 HydrophobicContact CG-CD 4.05Å; N232-K236 PolarHBondContact ND2-O 2.64Å; T234-K236 VanDerWaalsContact C-N 3.28Å; T234-K236 PolarHBondContact OG1-N 3.24Å; T234-K236 PolarHBondContact OG1-O 3.44Å; K236-V339 HydrophobicContact CB-CG1 3.61Å; K236-V339 HydrophobicContact CD-CG1 3.93Å; K236-V339 HydrophobicContact CG-CG1 4.41Å; K236-S340 WeakPolarHBondContact CD-O 3.29Å
237T91.6Very high95.3Very high44 Ų4430.6 Ų30.627%0.2715%0.152SC..PPolyproline II helixtrans-91.4132.7171.6-58.50000110.5K271 S340T237-K271 HydrophobicContact CG2-CB 4.32Å; T237-S340 PolarHBondContact N-OG 2.59Å; T237-S340 PolarHBondContact O-N 3.02Å; T237-S340 PolarHBondContact O-OG 2.85Å
238V94.4Very high95.2Very high0 Ų029.4 Ų29.40%015%0.145CC..EExtended strand (participates in β ladder)trans-79.2116.1164.1-174.80000107.9L207 V230 I241 K271 V272 L337 V339L207-V238 HydrophobicContact CD1-CG2 4.04Å; L207-V238 HydrophobicContact CD2-CG2 4.25Å; V230-V238 HydrophobicContact CG1-CG2 4.25Å; V238-I241 HydrophobicContact CG1-CG1 4.27Å; V238-K271 WeakPolarHBondContact O-CA 3.44Å; V238-K271 WeakPolarHBondContact O-CB 3.17Å; V238-V272 HydrophobicContact CB-CB 3.9Å; V238-V272 HydrophobicContact CB-CG2 4.22Å; V238-V272 HydrophobicContact CG2-CB 4.14Å; V238-V272 PolarHBondContact N-O 2.85Å; V238-V272 PolarHBondContact O-N 3.47Å; V238-L337 HydrophobicContact CG1-CB 4.06Å; V238-L337 HydrophobicContact CG1-CD2 4.26Å; V238-V339 HydrophobicContact CG2-CG2 4.38Å
239K92.9Very high95Very high57 Ų5729.3 Ų29.325%0.24814%0.144CC..EExtended strand (participates in β ladder)trans-83.3-31.4-174.1-67.9178.1173.81720113.3T338 E345K239-T338 WeakPolarHBondContact CB-O 3.46Å; K239-T338 PolarHBondContact N-O 3Å; K239-E345 PolarHBondContact NZ-O 3.25Å
240K93.5Very high94.7Very high66 Ų6628.6 Ų28.629%0.28714%0.139SC..EExtended strand (participates in β ladder)trans-159.8138.6-166.1-173.9157.1159.2136.80110.2K242 E267 T338K240-K242 HydrophobicContact CG-CG 4.3Å; K240-E267 HydrophobicContact CD-CG 4.49Å; K240-E267 WeakPolarHBondContact CD-OE1 3.38Å; K240-E267 WeakPolarHBondContact CE-OE1 3.44Å; K240-E267 WeakPolarHBondContact CE-OE2 3.18Å; K240-E267 HydrophobicContact CG-CG 4.06Å; K240-E267 IonicContact NZ-OE1 2.81Å; K240-E267 PolarHBondContact NZ-OE1 2.85Å; K240-E267 IonicContact NZ-OE2 3.58Å; K240-E267 PolarHBondContact NZ-OE2 2.94Å; K240-T338 PolarHBondContact O-N 2.96Å
241I96.6Very high94.3Very high4 Ų429.1 Ų29.12%0.02114%0.142CC..EExtended strand (participates in β ladder)trans-120.7118.8177.4-53.1174.5000106.4V228 V230 V238 E267 A268 V272 L278 V335 L337V228-I241 HydrophobicContact CG1-CG2 4.32Å; V230-I241 HydrophobicContact CG2-CD1 3.96Å; V238-I241 HydrophobicContact CG1-CG1 4.27Å; I241-E267 WeakPolarHBondContact O-CA 3.3Å; I241-A268 HydrophobicContact CB-CB 4.03Å; I241-A268 PolarHBondContact O-N 2.77Å; I241-V272 HydrophobicContact CD1-CG2 4.17Å; I241-L278 HydrophobicContact CD1-CD2 3.82Å; I241-V335 HydrophobicContact CG2-CG1 4.19Å; I241-L337 HydrophobicContact CB-CD2 4.19Å; I241-L337 HydrophobicContact CD1-CD2 4.49Å; I241-L337 HydrophobicContact CG1-CD2 3.79Å; I241-L337 HydrophobicContact CG2-CD2 3.87Å
242K97.6Very high93.9Very high60 Ų6028.8 Ų28.826%0.26114%0.14SC..EExtended strand (participates in β ladder)trans-116.8133.9174.2-69.2-165.7179.8-157.50110.3K240 F244 E266 E267 V335 K336K240-K242 HydrophobicContact CG-CG 4.3Å; K242-F244 HydrophobicContact CB-CD2 4.29Å; K242-F244 HydrophobicContact CB-CE2 3.45Å; K242-F244 VanDerWaalsContact CB-CE2 3.45Å; K242-F244 HydrophobicContact CB-CZ 3.79Å; K242-F244 HydrophobicContact CD-CE2 4.15Å; K242-F244 HydrophobicContact CD-CZ 3.61Å; K242-F244 HydrophobicContact CG-CE2 4.47Å; K242-F244 HydrophobicContact CG-CZ 4.38Å; K242-E266 WeakPolarHBondContact CA-O 3.45Å; K242-E267 WeakPolarHBondContact CE-OE2 3.49Å; K242-E267 HydrophobicContact CG-CB 4.21Å; K242-E267 HydrophobicContact CG-CG 4Å; K242-E267 IonicContact NZ-OE2 3.13Å; K242-V335 CarbonylContact O-C 3.58Å; K242-V335 WeakPolarHBondContact O-CA 3.39Å; K242-K336 PolarHBondContact N-O 2.82Å; K242-K336 PolarHBondContact O-N 2.79Å
243A97.8Very high93.2Very high0 Ų030 Ų300%015%0.146CC..EExtended strand (participates in β ladder)trans-107.1139.2167.700000109.2V265 E266 L282 L284 K334A243-V265 WeakPolarHBondContact O-CA 3.42Å; A243-E266 PolarHBondContact N-O 2.8Å; A243-E266 PolarHBondContact O-N 3.47Å; A243-L282 HydrophobicContact CB-CD1 3.92Å; A243-L284 HydrophobicContact CB-CD1 3.83Å; A243-L284 HydrophobicContact CB-CD2 4.07Å; A243-L284 WeakPolarHBondContact O-CD2 3.42Å; A243-K334 CarbonylContact C-O 3.56Å; A243-K334 WeakPolarHBondContact CA-O 3.46Å
244F98.1Very high92.2Very high35 Ų3535.5 Ų35.515%0.15416%0.164CC..EExtended strand (participates in β ladder)trans-126.6137.9176.6-55.3-101.6000108.5K242 E246 P262 A264 V265 I333 K334 K336K242-F244 HydrophobicContact CB-CD2 4.29Å; K242-F244 HydrophobicContact CB-CE2 3.45Å; K242-F244 VanDerWaalsContact CB-CE2 3.45Å; K242-F244 HydrophobicContact CB-CZ 3.79Å; K242-F244 HydrophobicContact CD-CE2 4.15Å; K242-F244 HydrophobicContact CD-CZ 3.61Å; K242-F244 HydrophobicContact CG-CE2 4.47Å; K242-F244 HydrophobicContact CG-CZ 4.38Å; F244-E246 HydrophobicContact CB-CG 4.23Å; F244-P262 HydrophobicContact CB-CB 4.47Å; F244-P262 HydrophobicContact CD1-CB 4.02Å; F244-A264 CarbonylContact C-O 3.58Å; F244-A264 WeakPolarHBondContact CA-O 3.39Å; F244-V265 HydrophobicContact CD1-CB 4.15Å; F244-V265 HydrophobicContact CD1-CG1 3.7Å; F244-V265 HydrophobicContact CD1-CG2 3.5Å; F244-V265 HydrophobicContact CE1-CB 4.37Å; F244-V265 HydrophobicContact CE1-CG1 3.53Å; F244-V265 HydrophobicContact CE1-CG2 3.9Å; F244-V265 HydrophobicContact CG-CG1 4.42Å; F244-V265 HydrophobicContact CG-CG2 4.49Å; F244-V265 HydrophobicContact CZ-CG1 4.18Å; F244-I333 CarbonylContact O-C 3.59Å; F244-I333 VanDerWaalsContact O-CA 3.31Å; F244-I333 WeakPolarHBondContact O-CA 3.32Å; F244-K334 HydrophobicContact CB-CB 4.29Å; F244-K334 WeakPolarHBondContact CD2-O 3.46Å; F244-K334 PolarHBondContact N-O 2.9Å; F244-K334 PolarHBondContact O-N 2.97Å; F244-K336 HydrophobicContact CE2-CB 3.9Å; F244-K336 HydrophobicContact CE2-CD 4.27Å
245V98.3Very high91.3Very high0 Ų038.7 Ų38.70%019%0.187CC..EExtended strand (participates in β ladder)trans-88.5114.2156.7-177.30000106.4I224 P262 V263 A264 L284 P286 Y331 I333 F357I224-V245 HydrophobicContact CD1-CG2 4.38Å; V245-P262 CarbonylContact O-C 3.56Å; V245-P262 VanDerWaalsContact O-C 3.29Å; V245-P262 VanDerWaalsContact O-CA 3.26Å; V245-P262 WeakPolarHBondContact O-CA 3.32Å; V245-V263 HydrophobicContact CB-CG2 3.85Å; V245-V263 HydrophobicContact CG1-CG2 3.49Å; V245-V263 VanDerWaalsContact CG1-CG2 3.49Å; V245-V263 WeakPolarHBondContact O-CG2 3.26Å; V245-V263 PolarHBondContact O-N 2.87Å; V245-A264 HydrophobicContact CB-CB 4.05Å; V245-A264 HydrophobicContact CG2-CB 3.91Å; V245-A264 PolarHBondContact N-O 2.91Å; V245-A264 PolarHBondContact O-N 2.83Å; V245-L284 HydrophobicContact CG2-CB 3.76Å; V245-L284 HydrophobicContact CG2-CD2 3.85Å; V245-L284 HydrophobicContact CG2-CG 4.38Å; V245-P286 HydrophobicContact CB-CB 4.44Å; V245-P286 HydrophobicContact CG1-CB 4.08Å; V245-P286 HydrophobicContact CG1-CG 4.42Å; V245-P286 HydrophobicContact CG2-CB 4.45Å; V245-Y331 HydrophobicContact CG1-CD1 4.1Å; V245-I333 HydrophobicContact CB-CD1 4.32Å; V245-I333 HydrophobicContact CG2-CD1 3.63Å; V245-F357 HydrophobicContact CG1-CE1 3.98Å; V245-F357 HydrophobicContact CG1-CZ 3.65Å
246E97.6Very high91Very high20 Ų2034 Ų349%0.09317%0.171CC..EExtended strand (participates in β ladder)trans-102130.7174.1-68.8-177.9151.600110.3F244 V260 P262 Y331 Q332 K334F244-E246 HydrophobicContact CB-CG 4.23Å; E246-V260 HydrophobicContact CB-CG1 4.03Å; E246-V260 HydrophobicContact CG-CG1 4.24Å; E246-P262 HydrophobicContact CG-CB 4.31Å; E246-Y331 WeakPolarHBondContact O-CA 3.36Å; E246-Q332 HydrophobicContact CB-CG 3.86Å; E246-Q332 PolarHBondContact N-O 2.82Å; E246-Q332 PolarHBondContact O-N 2.87Å; E246-Q332 PolarHBondContact OE2-NE2 2.9Å; E246-K334 HydrophobicContact CG-CB 4.44Å; E246-K334 VanDerWaalsContact OE1-CD 3.26Å; E246-K334 WeakPolarHBondContact OE1-CD 3.27Å; E246-K334 IonicContact OE1-NZ 3.86Å; E246-K334 WeakPolarHBondContact OE2-CD 3.27Å; E246-K334 IonicContact OE2-NZ 2.96Å
247Q97.6Very high90.7Very high2 Ų236 Ų361%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-93.6124.4166.9-174.2-170.865.800108V260 K261 V263 I297 A298 V329 Y331Q247-V260 WeakPolarHBondContact O-CA 3.37Å; Q247-K261 PolarHBondContact N-O 2.71Å; Q247-K261 PolarHBondContact O-N 2.9Å; Q247-V263 HydrophobicContact CB-CG1 3.73Å; Q247-I297 VanDerWaalsContact OE1-CG2 3.31Å; Q247-A298 PolarHBondContact NE2-O 2.68Å; Q247-V329 HydrophobicContact CG-CG1 3.83Å; Q247-Y331 HydrophobicContact CB-CD1 4.1Å; Q247-Y331 HydrophobicContact CB-CE1 3.74Å; Q247-Y331 HydrophobicContact CG-CD1 4.36Å; Q247-Y331 HydrophobicContact CG-CE1 3.76Å; Q247-Y331 HydrophobicContact CG-CE2 4.41Å; Q247-Y331 PolarHBondContact NE2-OH 3.21Å
248V95.9Very high90.4Very high15 Ų1541.1 Ų41.19%0.09120%0.198CC..EExtended strand (participates in β ladder)trans-108.4112176.4-177.20000107.4Y258 Y259 V260 V329 S330 Q332V248-Y258 HydrophobicContact CG1-CD1 4.3Å; V248-Y259 WeakPolarHBondContact CA-O 3.44Å; V248-V260 HydrophobicContact CG1-CG2 4.25Å; V248-V260 HydrophobicContact CG2-CG1 4.26Å; V248-V260 HydrophobicContact CG2-CG2 4.15Å; V248-V329 WeakPolarHBondContact O-CA 3.31Å; V248-S330 PolarHBondContact N-O 3.1Å; V248-S330 PolarHBondContact O-N 2.82Å; V248-Q332 HydrophobicContact CG2-CG 4.31Å
249A94.3Very high90.2Very high1 Ų145.8 Ų45.81%0.00822%0.217CC..EExtended strand (participates in β ladder)trans-105.2114.9173.900000109.3L136 Y259 A298 I327L136-A249 HydrophobicContact CD2-CB 4.07Å; A249-Y259 PolarHBondContact N-O 2.78Å; A249-Y259 PolarHBondContact O-N 2.84Å; A249-A298 HydrophobicContact CB-CB 4.13Å; A249-I327 HydrophobicContact CB-CG2 4.16Å
250N91.3Very high90.2Very high22 Ų2246.2 Ų46.212%0.11822%0.224CC..EExtended strand (participates in β ladder)trans-99.3111173.8-177.316.7000109.4V252 S256 D257 Y258 L328N250-V252 WeakPolarHBondContact ND2-CG2 3.24Å; N250-S256 PolarHBondContact ND2-OG 2.66Å; N250-S256 PolarHBondContact OD1-OG 3.42Å; N250-D257 CarbonylContact C-O 3.5Å; N250-D257 WeakPolarHBondContact CA-O 3.48Å; N250-D257 PolarHBondContact OD1-O 3Å; N250-Y258 HydrophobicContact CB-CD1 3.93Å; N250-Y258 HydrophobicContact CB-CE1 3.8Å; N250-Y258 PolarHBondContact ND2-OH 2.59Å; N250-L328 HydrophobicContact CB-CB 4.35Å; N250-L328 PolarHBondContact N-O 3.26Å; N250-L328 PolarHBondContact O-N 2.85Å
251V89.7Confident90.3Very high12 Ų1246.8 Ų46.87%0.07323%0.227CC..EExtended strand (participates in β ladder)trans-88.2113.6176.2-176.10000108F69 L136 S256 D257 Y259 I327F69-V251 HydrophobicContact CE2-CG1 3.91Å; F69-V251 HydrophobicContact CZ-CG1 3.73Å; L136-V251 HydrophobicContact CD1-CG2 3.98Å; V251-S256 WeakPolarHBondContact O-CA 3.14Å; V251-D257 HydrophobicContact CB-CB 4.41Å; V251-D257 PolarHBondContact N-O 3.34Å; V251-D257 PolarHBondContact O-N 3.25Å; V251-Y259 HydrophobicContact CB-CE2 4.42Å; V251-Y259 HydrophobicContact CG2-CD2 3.94Å; V251-Y259 HydrophobicContact CG2-CE2 3.65Å; V251-I327 HydrophobicContact CG2-CG1 4.26Å; V251-I327 HydrophobicContact CG2-CG2 4.44Å
252V86.4Confident90.3Very high28 Ų2848.5 Ų48.517%0.1724%0.238CC..EExtended strand (participates in β ladder)trans-115.3106.6-176.8-175.50000108.9N250 L325 G326 L328N250-V252 WeakPolarHBondContact ND2-CG2 3.24Å; V252-L325 HydrophobicContact CG1-CD2 4.29Å; V252-L325 CarbonylContact O-C 3.59Å; V252-L325 WeakPolarHBondContact O-CA 3.38Å; V252-G326 PolarHBondContact N-O 3.47Å; V252-G326 PolarHBondContact O-N 3.36Å; V252-L328 HydrophobicContact CG2-CD1 3.91Å; V252-L328 HydrophobicContact CG2-CG 4.35Å
253L80.8Confident90.2Very high24 Ų2445.9 Ų45.913%0.12623%0.227CC..SBendtrans-144.2-60.5-179-167.281.2000113.2F69 F83 R85 L87 S255F69-L253 HydrophobicContact CB-CD1 3.92Å; F69-L253 HydrophobicContact CD1-CD1 4.07Å; F69-L253 HydrophobicContact CD1-CD2 3.84Å; F69-L253 HydrophobicContact CD2-CD1 4.15Å; F69-L253 HydrophobicContact CE1-CD2 3.94Å; F69-L253 HydrophobicContact CG-CD1 3.78Å; F69-L253 HydrophobicContact CG-CD2 4.4Å; F83-L253 HydrophobicContact CD1-CD2 4.16Å; F83-L253 HydrophobicContact CE1-CD2 3.29Å; F83-L253 HydrophobicContact CE1-CG 4.45Å; F83-L253 HydrophobicContact CZ-CD2 3.65Å; R85-L253 PolarHBondContact NH1-O 2.9Å; L87-L253 HydrophobicContact CD2-CD1 4.33Å; L253-S255 PolarHBondContact N-O 2.97Å
254Y72.7Confident90.2Very high171 Ų17146.5 Ų46.567%0.67123%0.232SC*.SBendtrans-124.3-43.9171.7-63.8-72.9000110F83F83-Y254 HydrophobicContact CE1-CE2 4.34Å; F83-Y254 AromaticContact CE2-CE2 3.55Å; F83-Y254 HydrophobicContact CE2-CE2 3.55Å; F83-Y254 AromaticContact CE2-CZ 3.94Å; F83-Y254 WeakPolarHBondContact CE2-OH 3.47Å; F83-Y254 AromaticContact CZ-CE2 3.38Å; F83-Y254 HydrophobicContact CZ-CE2 3.38Å; F83-Y254 AromaticContact CZ-CZ 3.83Å; F83-Y254 WeakPolarHBondContact CZ-OH 3Å
255S73.3Confident90.1Very high67 Ų6748 Ų4847%0.46924%0.244SC..SBendtrans-105.3167.8164.6440000110.3L253 D257L253-S255 PolarHBondContact N-O 2.97Å; S255-D257 PolarHBondContact OG-OD2 2.82Å
256S80.8Confident90.1Very high57 Ų5752.5 Ų52.540%0.39927%0.265SS..EExtended strand (participates in β ladder)trans-104.7106.6167.1-161.50000107.8N250 V251N250-S256 PolarHBondContact ND2-OG 2.66Å; N250-S256 PolarHBondContact OD1-OG 3.42Å; V251-S256 WeakPolarHBondContact O-CA 3.14Å
257D83.4Confident90Very high71 Ų7155 Ų5538%0.3828%0.277SS..EExtended strand (participates in β ladder)trans-110.2127.4-177.6-65.4-57.8000110.6N250 V251 S255 Y259N250-D257 CarbonylContact C-O 3.5Å; N250-D257 WeakPolarHBondContact CA-O 3.48Å; N250-D257 PolarHBondContact OD1-O 3Å; V251-D257 HydrophobicContact CB-CB 4.41Å; V251-D257 PolarHBondContact N-O 3.34Å; V251-D257 PolarHBondContact O-N 3.25Å; S255-D257 PolarHBondContact OG-OD2 2.82Å; D257-Y259 HydrophobicContact CB-CE2 4.07Å
258Y86.4Confident89.8Confident151 Ų15155.1 Ų55.159%0.59228%0.278SS*.EExtended strand (participates in β ladder)trans-106.7125.6-175.4-66.7-95.3000111.9V248 N250V248-Y258 HydrophobicContact CG1-CD1 4.3Å; N250-Y258 HydrophobicContact CB-CD1 3.93Å; N250-Y258 HydrophobicContact CB-CE1 3.8Å; N250-Y258 PolarHBondContact ND2-OH 2.59Å
259Y89.1Confident89.4Confident99 Ų9962.7 Ų62.739%0.38831%0.312SS..EExtended strand (participates in β ladder)trans-115.8113.1173.9-59-88.5000109.6L136 V248 A249 V251 D257L136-Y259 HydrophobicContact CD1-CD2 4.39Å; L136-Y259 HydrophobicContact CD1-CE2 4.3Å; V248-Y259 WeakPolarHBondContact CA-O 3.44Å; A249-Y259 PolarHBondContact N-O 2.78Å; A249-Y259 PolarHBondContact O-N 2.84Å; V251-Y259 HydrophobicContact CB-CE2 4.42Å; V251-Y259 HydrophobicContact CG2-CD2 3.94Å; V251-Y259 HydrophobicContact CG2-CE2 3.65Å; D257-Y259 HydrophobicContact CB-CE2 4.07Å
260V94Very high89.2Confident66 Ų6666 Ų6640%0.433%0.328SS..EExtended strand (participates in β ladder)trans-106.2121176.4-173.10000109.2E246 Q247 V248E246-V260 HydrophobicContact CB-CG1 4.03Å; E246-V260 HydrophobicContact CG-CG1 4.24Å; Q247-V260 WeakPolarHBondContact O-CA 3.37Å; V248-V260 HydrophobicContact CG1-CG2 4.25Å; V248-V260 HydrophobicContact CG2-CG1 4.26Å; V248-V260 HydrophobicContact CG2-CG2 4.15Å
261K94.7Very high89.3Confident78 Ų7871.6 Ų71.634%0.33935%0.351SS..EExtended strand (participates in β ladder)trans-131.6126.3178.1-63.6-63.1176.6-166.50110.6Q247 V263 I297Q247-K261 PolarHBondContact N-O 2.71Å; Q247-K261 PolarHBondContact O-N 2.9Å; K261-V263 PolarHBondContact O-N 2.57Å; K261-I297 HydrophobicContact CB-CG1 4.29Å; K261-I297 HydrophobicContact CG-CG1 4.48Å
262P95.9Very high89.6Confident39 Ų3971.1 Ų71.125%0.25335%0.348SS..EExtended strand (participates in β ladder)trans-73113.2176.227.2-32.3000109.3F244 V245 E246 V265 R294F244-P262 HydrophobicContact CB-CB 4.47Å; F244-P262 HydrophobicContact CD1-CB 4.02Å; V245-P262 CarbonylContact O-C 3.56Å; V245-P262 VanDerWaalsContact O-C 3.29Å; V245-P262 VanDerWaalsContact O-CA 3.26Å; V245-P262 WeakPolarHBondContact O-CA 3.32Å; E246-P262 HydrophobicContact CG-CB 4.31Å; P262-V265 HydrophobicContact CB-CG2 4.35Å; P262-R294 PolarHBondContact O-NH1 2.77Å; P262-R294 PolarHBondContact O-NH2 2.62Å
263V96.4Very high90Very high5 Ų572.9 Ų72.93%0.0336%0.36CS..EExtended strand (participates in β ladder)trans-91.1-16-177.9-65.20000114.1V245 Q247 K261 P286 N291 I297 L310 Y331V245-V263 HydrophobicContact CB-CG2 3.85Å; V245-V263 HydrophobicContact CG1-CG2 3.49Å; V245-V263 VanDerWaalsContact CG1-CG2 3.49Å; V245-V263 WeakPolarHBondContact O-CG2 3.26Å; V245-V263 PolarHBondContact O-N 2.87Å; Q247-V263 HydrophobicContact CB-CG1 3.73Å; K261-V263 PolarHBondContact O-N 2.57Å; V263-P286 HydrophobicContact CG2-CB 3.85Å; V263-N291 PolarHBondContact O-ND2 2.75Å; V263-N291 PolarHBondContact O-OD1 2.83Å; V263-I297 HydrophobicContact CG1-CD1 4.44Å; V263-I297 HydrophobicContact CG1-CG2 4.38Å; V263-L310 HydrophobicContact CB-CD1 4.31Å; V263-L310 HydrophobicContact CG1-CD2 4.43Å; V263-L310 HydrophobicContact CG2-CD1 4.38Å; V263-Y331 HydrophobicContact CG2-CE1 4.26Å
264A97.1Very high90.6Very high14 Ų1474 Ų7412%0.11637%0.369CS..EExtended strand (participates in β ladder)trans-148.1149.8169.400000109.5F244 V245 L284 P286F244-A264 CarbonylContact C-O 3.58Å; F244-A264 WeakPolarHBondContact CA-O 3.39Å; V245-A264 HydrophobicContact CB-CB 4.05Å; V245-A264 HydrophobicContact CG2-CB 3.91Å; V245-A264 PolarHBondContact N-O 2.91Å; V245-A264 PolarHBondContact O-N 2.83Å; A264-L284 HydrophobicContact CB-CB 4.39Å; A264-L284 HydrophobicContact CB-CD2 4.47Å; A264-P286 HydrophobicContact CB-CB 4.4Å
265V96.9Very high91.5Very high66 Ų6670.7 Ų70.740%0.436%0.363SS..EExtended strand (participates in β ladder)trans-142.1131.9-178.5-1720000109A243 F244 P262A243-V265 WeakPolarHBondContact O-CA 3.42Å; F244-V265 HydrophobicContact CD1-CB 4.15Å; F244-V265 HydrophobicContact CD1-CG1 3.7Å; F244-V265 HydrophobicContact CD1-CG2 3.5Å; F244-V265 HydrophobicContact CE1-CB 4.37Å; F244-V265 HydrophobicContact CE1-CG1 3.53Å; F244-V265 HydrophobicContact CE1-CG2 3.9Å; F244-V265 HydrophobicContact CG-CG1 4.42Å; F244-V265 HydrophobicContact CG-CG2 4.49Å; F244-V265 HydrophobicContact CZ-CG1 4.18Å; P262-V265 HydrophobicContact CB-CG2 4.35Å
266E97.1Very high92.6Very high94 Ų9469 Ų6944%0.43935%0.351SS..EExtended strand (participates in β ladder)trans-132.4152.1171.6-74-61.1154.800110.3K242 A243 L284K242-E266 WeakPolarHBondContact CA-O 3.45Å; A243-E266 PolarHBondContact N-O 2.8Å; A243-E266 PolarHBondContact O-N 3.47Å; E266-L284 HydrophobicContact CB-CD1 4.48Å; E266-L284 HydrophobicContact CB-CD2 4.27Å; E266-L284 HydrophobicContact CB-CG 3.98Å; E266-L284 HydrophobicContact CG-CD2 4.37Å; E266-L284 HydrophobicContact CG-CG 3.81Å
267E95.3Very high93.4Very high73 Ų7370.4 Ų70.434%0.34136%0.357SS..EExtended strand (participates in β ladder)trans-135.4134-174.4-179.5-177.3151.200111.5K240 I241 K242K240-E267 HydrophobicContact CD-CG 4.49Å; K240-E267 WeakPolarHBondContact CD-OE1 3.38Å; K240-E267 WeakPolarHBondContact CE-OE1 3.44Å; K240-E267 WeakPolarHBondContact CE-OE2 3.18Å; K240-E267 HydrophobicContact CG-CG 4.06Å; K240-E267 IonicContact NZ-OE1 2.81Å; K240-E267 PolarHBondContact NZ-OE1 2.85Å; K240-E267 IonicContact NZ-OE2 3.58Å; K240-E267 PolarHBondContact NZ-OE2 2.94Å; I241-E267 WeakPolarHBondContact O-CA 3.3Å; K242-E267 WeakPolarHBondContact CE-OE2 3.49Å; K242-E267 HydrophobicContact CG-CB 4.21Å; K242-E267 HydrophobicContact CG-CG 4Å; K242-E267 IonicContact NZ-OE2 3.13Å
268A93.3Very high94Very high4 Ų468.8 Ų68.83%0.03335%0.348CS..EExtended strand (participates in β ladder)trans-91.3135.7169.300000110.1I241 E270 L282I241-A268 HydrophobicContact CB-CB 4.03Å; I241-A268 PolarHBondContact O-N 2.77Å; A268-E270 WeakPolarHBondContact CB-OE2 3.41Å; A268-L282 HydrophobicContact CB-CD1 4.43Å; A268-L282 HydrophobicContact CB-CD2 4.11Å
269Q87.8Confident94.5Very high175 Ų17565.7 Ų65.782%0.81835%0.345SS*.  trans-87.3-13.8176.3-65.1-160-1000112.8
270E91.4Very high94.9Very high70 Ų7064.5 Ų64.533%0.32734%0.342SS..  trans-66.6133179.1-60.892156.400111.4A268 L278 K280A268-E270 WeakPolarHBondContact CB-OE2 3.41Å; E270-L278 HydrophobicContact CB-CD2 3.84Å; E270-K280 WeakPolarHBondContact OE1-CE 3.37Å; E270-K280 IonicContact OE1-NZ 2.71Å; E270-K280 PolarHBondContact OE1-NZ 3.19Å
271K93.9Very high95Very high140 Ų14064.7 Ų64.761%0.60934%0.343SS*.  trans-93147.8173.1-62-179.9-177.5175.90109.3T237 V238 P273T237-K271 HydrophobicContact CG2-CB 4.32Å; V238-K271 WeakPolarHBondContact O-CA 3.44Å; V238-K271 WeakPolarHBondContact O-CB 3.17Å; K271-P273 WeakPolarHBondContact O-CD 3.43Å
272V95.6Very high95.1Very high1 Ų161.8 Ų61.81%0.00633%0.331CS..BIsolated β-bridgetrans-108.4101.4173.6-166.50000108.5V230 N232 V238 I241 S276 L278V230-V272 HydrophobicContact CB-CG2 4.16Å; V230-V272 HydrophobicContact CG1-CB 4.34Å; V230-V272 HydrophobicContact CG1-CG1 4.15Å; V230-V272 HydrophobicContact CG1-CG2 4.12Å; V230-V272 HydrophobicContact CG2-CG2 4.48Å; N232-V272 HydrophobicContact CB-CG1 3.77Å; N232-V272 PolarHBondContact ND2-O 3.39Å; V238-V272 HydrophobicContact CB-CB 3.9Å; V238-V272 HydrophobicContact CB-CG2 4.22Å; V238-V272 HydrophobicContact CG2-CB 4.14Å; V238-V272 PolarHBondContact N-O 2.85Å; V238-V272 PolarHBondContact O-N 3.47Å; I241-V272 HydrophobicContact CD1-CG2 4.17Å; V272-S276 WeakPolarHBondContact CG1-OG 3.26Å; V272-L278 HydrophobicContact CG1-CB 4.32Å; V272-L278 HydrophobicContact CG2-CB 3.71Å; V272-L278 HydrophobicContact CG2-CD2 3.68Å; V272-L278 HydrophobicContact CG2-CG 4.34Å
273P94.6Very high95.2Very high66 Ų6663.7 Ų63.743%0.42934%0.342SS..  trans-67.5169.217926.6-32.4000112.2N232 K271 S276N232-P273 PolarHBondContact ND2-O 3.23Å; N232-P273 VanDerWaalsContact ND2-O 3.1Å; K271-P273 WeakPolarHBondContact O-CD 3.43Å; P273-S276 WeakPolarHBondContact CD-OG 3.36Å; P273-S276 WeakPolarHBondContact CG-OG 3.44Å; P273-S276 PolarHBondContact O-OG 3.14Å
274P92.9Very high95.3Very high47 Ų4763.4 Ų63.431%0.30534%0.341SS..THydrogen-bonded Turntrans-55.5144.6174.9-2838.2000112.8T234 E235 S276T234-P274 WeakPolarHBondContact O-CA 3.26Å; T234-P274 WeakPolarHBondContact O-CB 3.44Å; E235-P274 VanDerWaalsContact O-CG 3.31Å; E235-P274 WeakPolarHBondContact O-CG 3.24Å; P274-S276 VanDerWaalsContact C-N 3.27Å; P274-S276 PolarHBondContact O-N 3.33Å
275N92.4Very high95.2Very high102 Ų10266 Ų6655%0.54535%0.352SS..THydrogen-bonded Turntrans52.640.4179.4-54.6-71.6000113.9N232N232-N275 CarbonylContact O-C 3.6Å; N232-N275 WeakPolarHBondContact O-CA 3.34Å; N232-N275 PolarHBondContact O-N 2.68Å
276S95.9Very high95.2Very high32 Ų3262.9 Ų62.922%0.22433%0.334CS..EExtended strand (participates in β ladder)trans-136.4160.1179.376.10000112.1N232 V272 P273 P274N232-S276 WeakPolarHBondContact CB-O 3.42Å; N232-S276 PolarHBondContact N-O 3.35Å; N232-S276 PolarHBondContact O-N 3.01Å; N232-S276 VanDerWaalsContact O-N 3.13Å; V272-S276 WeakPolarHBondContact CG1-OG 3.26Å; P273-S276 WeakPolarHBondContact CD-OG 3.36Å; P273-S276 WeakPolarHBondContact CG-OG 3.44Å; P273-S276 PolarHBondContact O-OG 3.14Å; P274-S276 VanDerWaalsContact C-N 3.27Å; P274-S276 PolarHBondContact O-N 3.33Å
277T96.5Very high95Very high85 Ų8561 Ų6152%0.52133%0.326SS..EExtended strand (participates in β ladder)trans-122138.7178.7-58.80000110T229 V230T229-T277 HydrophobicContact CG2-CG2 4.22Å; V230-T277 CarbonylContact O-C 3.57Å; V230-T277 VanDerWaalsContact O-CA 3.25Å; V230-T277 WeakPolarHBondContact O-CA 3.31Å; V230-T277 WeakPolarHBondContact O-CG2 3.39Å
278L97.4Very high94.8Very high38 Ų3858.2 Ų58.220%0.19931%0.313CS..EExtended strand (participates in β ladder)trans-127.8128.9173176.366.9000109.4T229 V230 I241 E270 V272T229-L278 CarbonylContact C-O 3.5Å; T229-L278 WeakPolarHBondContact CA-O 3.3Å; V230-L278 PolarHBondContact N-O 2.89Å; V230-L278 PolarHBondContact O-N 3.35Å; I241-L278 HydrophobicContact CD1-CD2 3.82Å; E270-L278 HydrophobicContact CB-CD2 3.84Å; V272-L278 HydrophobicContact CG1-CB 4.32Å; V272-L278 HydrophobicContact CG2-CB 3.71Å; V272-L278 HydrophobicContact CG2-CD2 3.68Å; V272-L278 HydrophobicContact CG2-CG 4.34Å
279T97.3Very high94.7Very high85 Ų8561 Ų6152%0.52134%0.337SS..EExtended strand (participates in β ladder)trans-113.7124.9166.4-60.40000108.9T227 V228 T229T227-T279 HydrophobicContact CG2-CG2 4.13Å; V228-T279 CarbonylContact O-C 3.57Å; V228-T279 WeakPolarHBondContact O-CA 3.37Å; T229-T279 WeakPolarHBondContact CG2-OG1 3.43Å; T229-T279 WeakPolarHBondContact OG1-CG2 3.18Å; T229-T279 PolarHBondContact OG1-OG1 3.39Å
280K96.1Very high94.8Very high75 Ų7558.4 Ų58.433%0.32633%0.329SS..EExtended strand (participates in β ladder)trans-140.8140.9-179.2-173.273.1179.1-158.30110.1V228 E270 L282V228-K280 PolarHBondContact N-O 3.44Å; V228-K280 PolarHBondContact O-N 3.37Å; E270-K280 WeakPolarHBondContact OE1-CE 3.37Å; E270-K280 IonicContact OE1-NZ 2.71Å; E270-K280 PolarHBondContact OE1-NZ 3.19Å; K280-L282 HydrophobicContact CG-CD2 4.2Å
281T97.3Very high94.7Very high69 Ų6955.2 Ų55.242%0.42331%0.314SS..EExtended strand (participates in β ladder)trans-106.1124.6171.2-54.40000109.5P225 V226 T227P225-T281 HydrophobicContact CB-CG2 3.93Å; V226-T281 CarbonylContact O-C 3.53Å; V226-T281 VanDerWaalsContact O-CA 3.3Å; V226-T281 WeakPolarHBondContact O-CA 3.5Å; T227-T281 PolarHBondContact OG1-OG1 3.4Å; T227-T281 VanDerWaalsContact OG1-OG1 3.1Å
282L96.6Very high94.2Very high18 Ų1853.5 Ų53.59%0.09430%0.303CS..EExtended strand (participates in β ladder)trans-108.6135.6174.9-60.7177000108.9V226 A243 A268 K280 L284V226-L282 PolarHBondContact N-O 2.95Å; V226-L282 PolarHBondContact O-N 3.06Å; A243-L282 HydrophobicContact CB-CD1 3.92Å; A268-L282 HydrophobicContact CB-CD1 4.43Å; A268-L282 HydrophobicContact CB-CD2 4.11Å; K280-L282 HydrophobicContact CG-CD2 4.2Å; L282-L284 HydrophobicContact CB-CD1 4.39Å
283T97.4Very high93.6Very high78 Ų7861.7 Ų61.748%0.47934%0.342SS..EExtended strand (participates in β ladder)trans-107.4115.5-179-58.30000109.9P223 I224P223-T283 HydrophobicContact CB-CG2 3.49Å; P223-T283 VanDerWaalsContact CB-CG2 3.49Å; I224-T283 WeakPolarHBondContact O-CA 3.44Å
284L97.6Very high93Very high0 Ų062.3 Ų62.30%034%0.335CS..EExtended strand (participates in β ladder)trans-103.8148.1179.3-64.292.5000110.7I224 V226 A243 V245 A264 E266 L282I224-L284 PolarHBondContact N-O 3.48Å; I224-L284 PolarHBondContact O-N 2.95Å; V226-L284 HydrophobicContact CB-CD1 4.14Å; V226-L284 HydrophobicContact CG2-CD1 3.49Å; V226-L284 VanDerWaalsContact CG2-CD1 3.49Å; A243-L284 HydrophobicContact CB-CD1 3.83Å; A243-L284 HydrophobicContact CB-CD2 4.07Å; A243-L284 WeakPolarHBondContact O-CD2 3.42Å; V245-L284 HydrophobicContact CG2-CB 3.76Å; V245-L284 HydrophobicContact CG2-CD2 3.85Å; V245-L284 HydrophobicContact CG2-CG 4.38Å; A264-L284 HydrophobicContact CB-CB 4.39Å; A264-L284 HydrophobicContact CB-CD2 4.47Å; E266-L284 HydrophobicContact CB-CD1 4.48Å; E266-L284 HydrophobicContact CB-CD2 4.27Å; E266-L284 HydrophobicContact CB-CG 3.98Å; E266-L284 HydrophobicContact CG-CD2 4.37Å; E266-L284 HydrophobicContact CG-CG 3.81Å; L282-L284 HydrophobicContact CB-CD1 4.39Å
285L96.5Very high92.6Very high67 Ų6767 Ų6735%0.35135%0.347SS..  trans-130.992.7-179.5-169.862.3000110.8G221 P223 L287G221-L285 WeakPolarHBondContact O-CD1 3.29Å; P223-L285 HydrophobicContact CB-CD1 4.45Å; P223-L285 HydrophobicContact CG-CD1 4.26Å; L285-L287 HydrophobicContact CD2-CD1 3.64Å; L285-L287 HydrophobicContact CD2-CG 4.3Å; L285-L287 HydrophobicContact CG-CD1 3.82Å; L285-L287 HydrophobicContact CG-CG 3.92Å; L285-L287 PolarHBondContact O-N 3.24Å; L285-L287 VanDerWaalsContact O-N 3.12Å
286P95.6Very high92.2Very high2 Ų262.6 Ų62.61%0.01333%0.326CS..  trans-75.999.7-179.630.8-33.3000110.9I224 V245 V263 A264 L310 L359I224-P286 HydrophobicContact CD1-CG 3.73Å; V245-P286 HydrophobicContact CB-CB 4.44Å; V245-P286 HydrophobicContact CG1-CB 4.08Å; V245-P286 HydrophobicContact CG1-CG 4.42Å; V245-P286 HydrophobicContact CG2-CB 4.45Å; V263-P286 HydrophobicContact CG2-CB 3.85Å; A264-P286 HydrophobicContact CB-CB 4.4Å; P286-L310 HydrophobicContact CB-CD1 4.11Å; P286-L359 HydrophobicContact CG-CD1 4.44Å; P286-L359 HydrophobicContact CG-CD2 4.31Å
287L93.8Very high92Very high54 Ų5461.1 Ų61.128%0.28332%0.315SS..  trans-118.5140179.1-70.4172.1000111.8L285 A289 N290 N291L285-L287 HydrophobicContact CD2-CD1 3.64Å; L285-L287 HydrophobicContact CD2-CG 4.3Å; L285-L287 HydrophobicContact CG-CD1 3.82Å; L285-L287 HydrophobicContact CG-CG 3.92Å; L285-L287 PolarHBondContact O-N 3.24Å; L285-L287 VanDerWaalsContact O-N 3.12Å; L287-A289 PolarHBondContact O-N 2.82Å; L287-N290 PolarHBondContact O-N 2.84Å; L287-N291 PolarHBondContact O-ND2 2.9Å
288L91.6Very high91.9Very high14 Ų1457 Ų577%0.07329%0.29CS..G310 helixtrans-60.3-35.7171177.856.9000111.7N290 N291 R292 L299 T308 L310L288-N290 PolarHBondContact O-N 3.01Å; L288-N290 VanDerWaalsContact O-N 3.14Å; L288-N291 CarbonylContact O-C 3.45Å; L288-N291 WeakPolarHBondContact O-CA 3.32Å; L288-N291 PolarHBondContact O-N 3.49Å; L288-R292 HydrophobicContact CG-CG 4.46Å; L288-R292 WeakPolarHBondContact O-CG 3.14Å; L288-R292 PolarHBondContact O-N 3Å; L288-R292 VanDerWaalsContact O-N 3.12Å; L288-L299 HydrophobicContact CD1-CD1 4.49Å; L288-L299 HydrophobicContact CD1-CD2 3.39Å; L288-L299 HydrophobicContact CD2-CD2 4.16Å; L288-L299 HydrophobicContact CG-CD2 4.38Å; L288-T308 HydrophobicContact CD2-CG2 3.92Å; L288-T308 VanDerWaalsContact CD2-O 3.3Å; L288-T308 WeakPolarHBondContact CD2-O 3.48Å; L288-L310 HydrophobicContact CB-CD2 4.33Å; L288-L310 HydrophobicContact CB-CG 4.29Å; L288-L310 HydrophobicContact CD1-CD2 4.22Å
289A90.2Very high91.7Very high64 Ų6455.2 Ų55.253%0.52928%0.281SS..G310 helixtrans-51.9-38.7179.500000112.9L287 N291L287-A289 PolarHBondContact O-N 2.82Å; A289-N291 VanDerWaalsContact C-N 3.25Å; A289-N291 PolarHBondContact O-N 2.99Å
290N90.4Very high91.3Very high120 Ų12051.6 Ų51.664%0.64226%0.258SS*.G310 helixtrans-81.5-3.8-179.9-61.8-14.9000113.4L287 L288L287-N290 PolarHBondContact O-N 2.84Å; L288-N290 PolarHBondContact O-N 3.01Å; L288-N290 VanDerWaalsContact O-N 3.14Å
291N88.9Confident90.8Very high3 Ų348.4 Ų48.42%0.01625%0.247CC..G310 helixtrans-1275-169-73.2-72.9000113.4V263 L287 L288 A289 E293 R294 I297V263-N291 PolarHBondContact O-ND2 2.75Å; V263-N291 PolarHBondContact O-OD1 2.83Å; L287-N291 PolarHBondContact O-ND2 2.9Å; L288-N291 CarbonylContact O-C 3.45Å; L288-N291 WeakPolarHBondContact O-CA 3.32Å; L288-N291 PolarHBondContact O-N 3.49Å; A289-N291 VanDerWaalsContact C-N 3.25Å; A289-N291 PolarHBondContact O-N 2.99Å; N291-E293 PolarHBondContact O-N 3.09Å; N291-R294 WeakPolarHBondContact O-CB 3.42Å; N291-R294 PolarHBondContact O-N 2.89Å; N291-R294 WeakPolarHBondContact OD1-CD 3.44Å; N291-R294 PolarHBondContact OD1-NH1 3.39Å; N291-I297 HydrophobicContact CB-CD1 3.64Å
292R84.4Confident89.9Confident104 Ų10448.5 Ų48.539%0.39224%0.241SC..THydrogen-bonded Turntrans-59.6-21.1-173.6-72.2-170.6172.2-175.5-1.2115.4Q137 L288 I303Q137-R292 PolarHBondContact NE2-O 3Å; L288-R292 HydrophobicContact CG-CG 4.46Å; L288-R292 WeakPolarHBondContact O-CG 3.14Å; L288-R292 PolarHBondContact O-N 3Å; L288-R292 VanDerWaalsContact O-N 3.12Å; R292-I303 WeakPolarHBondContact O-CD1 3.5Å
293E81.2Confident88.9Confident173 Ų17350.2 Ų50.281%0.80825%0.25SS*.THydrogen-bonded Turntrans-98.56-178.6-62.1-177.1171.500113N291N291-E293 PolarHBondContact O-N 3.09Å
294R82.6Confident87.9Confident79 Ų7948.3 Ų48.330%0.29824%0.235SC..  trans-103.1127.9-169-65.3-179.463.1-176.5-0.8113.2Q137 P262 N291 I297Q137-R294 VanDerWaalsContact CG-O 3.31Å; Q137-R294 WeakPolarHBondContact CG-O 3.46Å; Q137-R294 PolarHBondContact NE2-O 2.85Å; Q137-R294 VanDerWaalsContact NE2-O 3.09Å; Q137-R294 PolarHBondContact OE1-O 3.22Å; P262-R294 PolarHBondContact O-NH1 2.77Å; P262-R294 PolarHBondContact O-NH2 2.62Å; N291-R294 WeakPolarHBondContact O-CB 3.42Å; N291-R294 PolarHBondContact O-N 2.89Å; N291-R294 WeakPolarHBondContact OD1-CD 3.44Å; N291-R294 PolarHBondContact OD1-NH1 3.39Å; R294-I297 HydrophobicContact CB-CD1 3.52Å; R294-I297 HydrophobicContact CB-CG1 4.21Å; R294-I297 HydrophobicContact CG-CD1 4.42Å
295R84Confident87.1Confident145 Ų14549.5 Ų49.555%0.54724%0.241SC..THydrogen-bonded Turntrans-70.6141.6176.1-172.6-175.3-165.1-171.910.3112.7A139 D142A139-R295 HydrophobicContact CB-CB 4.26Å; A139-R295 VanDerWaalsContact CB-CD 3.48Å; A139-R295 HydrophobicContact CB-CG 3.88Å; D142-R295 IonicContact OD2-CZ 3.13Å; D142-R295 IonicContact OD2-NE 3.48Å; D142-R295 IonicContact OD2-NH2 3.89Å; D142-R295 PolarHBondContact OD2-NH2 2.79Å
296G84.1Confident86.2Confident10 Ų1052.7 Ų52.710%0.10325%0.254CS..THydrogen-bonded Turntrans79.122.1165.400000114.1Q137Q137-G296 PolarHBondContact O-N 3.44Å
297I92.1Very high85.5Confident0 Ų055.3 Ų55.30%027%0.267CS..  trans-88.5132.8170.2-61.7-177000108Q137 Q247 K261 V263 N291 R294 L299 L310Q137-I297 HydrophobicContact CB-CB 4.44Å; Q137-I297 WeakPolarHBondContact CB-O 3.35Å; Q137-I297 PolarHBondContact N-O 3.04Å; Q247-I297 VanDerWaalsContact OE1-CG2 3.31Å; K261-I297 HydrophobicContact CB-CG1 4.29Å; K261-I297 HydrophobicContact CG-CG1 4.48Å; V263-I297 HydrophobicContact CG1-CD1 4.44Å; V263-I297 HydrophobicContact CG1-CG2 4.38Å; N291-I297 HydrophobicContact CB-CD1 3.64Å; R294-I297 HydrophobicContact CB-CD1 3.52Å; R294-I297 HydrophobicContact CB-CG1 4.21Å; R294-I297 HydrophobicContact CG-CD1 4.42Å; I297-L299 HydrophobicContact CG2-CD2 4.03Å; I297-L310 HydrophobicContact CG2-CD2 3.58Å
298A93.9Very high85.2Confident0 Ų053.1 Ų53.10%026%0.257CS..EExtended strand (participates in β ladder)trans-77129174.400000110.6V134 M135 L136 Q247 A249 A311 V329V134-A298 HydrophobicContact CG1-CB 3.86Å; M135-A298 CarbonylContact O-C 3.59Å; M135-A298 WeakPolarHBondContact O-CA 2.94Å; L136-A298 HydrophobicContact CD2-CB 3.98Å; Q247-A298 PolarHBondContact NE2-O 2.68Å; A249-A298 HydrophobicContact CB-CB 4.13Å; A298-A311 HydrophobicContact CB-CB 3.78Å; A298-A311 WeakPolarHBondContact O-CB 2.91Å; A298-A311 PolarHBondContact O-N 2.86Å; A298-V329 HydrophobicContact CB-CG1 4.47Å; A298-V329 HydrophobicContact CB-CG2 3.65Å
299L93.3Very high85.2Confident0 Ų055.3 Ų55.30%027%0.268CS..EExtended strand (participates in β ladder)trans-120.4151.4-179.3-52.9-178000110V134 M135 Q137 L288 I297 G301 I303 T308 N309 L310V134-L299 CarbonylContact C-O 3.56Å; V134-L299 VanDerWaalsContact CA-O 3.31Å; V134-L299 WeakPolarHBondContact CA-O 3.14Å; M135-L299 HydrophobicContact CG-CB 4.29Å; M135-L299 PolarHBondContact N-O 3.23Å; M135-L299 PolarHBondContact O-N 3.4Å; Q137-L299 HydrophobicContact CB-CD1 4.18Å; Q137-L299 HydrophobicContact CB-CG 4.48Å; L288-L299 HydrophobicContact CD1-CD1 4.49Å; L288-L299 HydrophobicContact CD1-CD2 3.39Å; L288-L299 HydrophobicContact CD2-CD2 4.16Å; L288-L299 HydrophobicContact CG-CD2 4.38Å; I297-L299 HydrophobicContact CG2-CD2 4.03Å; L299-G301 WeakPolarHBondContact CB-O 3.18Å; L299-G301 PolarHBondContact O-N 2.99Å; L299-I303 HydrophobicContact CD1-CB 4.05Å; L299-I303 HydrophobicContact CD1-CG1 4.29Å; L299-T308 HydrophobicContact CB-CG2 4.04Å; L299-T308 HydrophobicContact CD1-CG2 4.29Å; L299-N309 WeakPolarHBondContact CA-O 3.21Å; L299-L310 HydrophobicContact CD2-CD2 4.3Å
300D89.6Confident85.4Confident8 Ų852.3 Ų52.34%0.04324%0.243CC..SBendtrans-82.31175.467.44.4000113.5S133 R179 N309 H361S133-D300 WeakPolarHBondContact O-CA 3.44Å; R179-D300 WeakPolarHBondContact CD-O 3.44Å; R179-D300 IonicContact NH1-OD1 2.79Å; D300-N309 PolarHBondContact N-O 3.07Å; D300-N309 VanDerWaalsContact N-O 3.15Å; D300-N309 PolarHBondContact OD1-N 3.17Å; D300-H361 IonicContact OD2-CD2 2.98Å; D300-H361 IonicContact OD2-CE1 2.79Å; D300-H361 IonicContact OD2-NE2 3.32Å; D300-H361 PolarHBondContact OD2-NE2 3.36Å
301G84.8Confident85.7Confident8 Ų846.6 Ų46.68%0.08221%0.213CC..SBendtrans-167.9-179.6-175.300000112.7M135 L299 T308M135-G301 WeakPolarHBondContact CG-O 3.38Å; L299-G301 WeakPolarHBondContact CB-O 3.18Å; L299-G301 PolarHBondContact O-N 2.99Å; G301-T308 VanDerWaalsContact O-CG2 3.3Å; G301-T308 WeakPolarHBondContact O-CG2 3.39Å
302K79.4Confident85.9Confident71 Ų7147 Ų4731%0.30922%0.216SC..  trans-71.5131.6179-58.5-170.6178.9-173.70110M135 K304 H305 T308M135-K302 HydrophobicContact CE-CB 4.42Å; M135-K302 HydrophobicContact CE-CG 4.35Å; M135-K302 WeakPolarHBondContact SD-CA 3.31Å; M135-K302 HydrophobicContact SD-CB 4.13Å; M135-K302 HydrophobicContact SD-CG 3.81Å; M135-K302 PolarHBondContact SD-N 3.34Å; M135-K302 VanDerWaalsContact SD-N 3.43Å; K302-K304 HydrophobicContact CB-CG 4.17Å; K302-K304 PolarHBondContact O-N 2.65Å; K302-H305 WeakPolarHBondContact O-CB 3.47Å; K302-H305 PolarHBondContact O-N 3.27Å; K302-T308 PolarHBondContact O-OG1 3.16Å
303I76.6Confident86.4Confident55 Ų5542.2 Ų42.228%0.28220%0.198SC..THydrogen-bonded Turntrans-52.2-28.1-179.5-162.6171.6000114.5Q137 R292 L299 H305 L387Q137-I303 VanDerWaalsContact CD-CD1 3.48Å; Q137-I303 HydrophobicContact CG-CD1 4.02Å; Q137-I303 VanDerWaalsContact NE2-CD1 3.32Å; R292-I303 WeakPolarHBondContact O-CD1 3.5Å; L299-I303 HydrophobicContact CD1-CB 4.05Å; L299-I303 HydrophobicContact CD1-CG1 4.29Å; I303-H305 VanDerWaalsContact C-N 3.32Å; I303-L387 WeakPolarHBondContact O-CD1 3.2Å
304K75.8Confident87Confident38 Ų3835.4 Ų35.417%0.16517%0.169CC..THydrogen-bonded Turntrans-73.5-20.1178.263176.1176.2-177.90114K302 N386 L387 A390 E395K302-K304 HydrophobicContact CB-CG 4.17Å; K302-K304 PolarHBondContact O-N 2.65Å; K304-N386 CarbonylContact O-C 3.52Å; K304-N386 VanDerWaalsContact O-CA 3.27Å; K304-N386 WeakPolarHBondContact O-CA 3.1Å; K304-L387 PolarHBondContact O-N 3.12Å; K304-A390 HydrophobicContact CB-CB 4.42Å; K304-E395 IonicContact NZ-OE1 3.93Å; K304-E395 PolarHBondContact NZ-OE1 2.89Å; K304-E395 IonicContact NZ-OE2 3.84Å; K304-E395 PolarHBondContact NZ-OE2 3.31Å
305H80Confident87.3Confident25 Ų2533.5 Ų33.512%0.11616%0.164CC..BIsolated β-bridgetrans-84.4140.3-177.6-52.8158.7000111.2K302 I303 D307 T308 R384K302-H305 WeakPolarHBondContact O-CB 3.47Å; K302-H305 PolarHBondContact O-N 3.27Å; I303-H305 VanDerWaalsContact C-N 3.32Å; H305-D307 VanDerWaalsContact C-N 3.27Å; H305-D307 WeakPolarHBondContact CB-OD1 3.45Å; H305-D307 PolarHBondContact O-N 2.94Å; H305-T308 PolarHBondContact O-N 3.49Å; H305-T308 PolarHBondContact O-OG1 3.22Å; H305-R384 WeakPolarHBondContact ND1-CD 3.49Å
306E77.6Confident87.3Confident134 Ų13430.7 Ų30.763%0.62616%0.159SC*.THydrogen-bonded Turntrans-64.8-30.4-178.5-176.1174.3-171.100113.5T308 H385 L387E306-T308 VanDerWaalsContact C-N 3.3Å; E306-T308 PolarHBondContact O-N 3.15Å; E306-H385 PolarHBondContact N-O 2.88Å; E306-L387 HydrophobicContact CB-CD2 4.04Å; E306-L387 HydrophobicContact CB-CG 4.29Å; E306-L387 HydrophobicContact CG-CD2 4.05Å
307D82.3Confident87.2Confident56 Ų5633.6 Ų33.630%0.29917%0.168SC..THydrogen-bonded Turntrans-90.417.7-176.364-11.1000114.1R179 H305 R384R179-D307 IonicContact CZ-OD2 3.66Å; R179-D307 PolarHBondContact NH1-O 2.84Å; R179-D307 PolarHBondContact NH2-O 2.93Å; R179-D307 IonicContact NH2-OD2 3.1Å; R179-D307 PolarHBondContact NH2-OD2 3.27Å; R179-D307 VanDerWaalsContact NH2-OD2 3.13Å; H305-D307 VanDerWaalsContact C-N 3.27Å; H305-D307 WeakPolarHBondContact CB-OD1 3.45Å; H305-D307 PolarHBondContact O-N 2.94Å; D307-R384 IonicContact OD2-CZ 2.86Å; D307-R384 IonicContact OD2-NH1 3.77Å; D307-R384 PolarHBondContact OD2-NH1 3.1Å
308T87.1Confident86.6Confident9 Ų942.7 Ų42.76%0.05521%0.211CC..  trans-92.7136.4179.5-64.90000111.1L288 L299 G301 K302 H305 E306L288-T308 HydrophobicContact CD2-CG2 3.92Å; L288-T308 VanDerWaalsContact CD2-O 3.3Å; L288-T308 WeakPolarHBondContact CD2-O 3.48Å; L299-T308 HydrophobicContact CB-CG2 4.04Å; L299-T308 HydrophobicContact CD1-CG2 4.29Å; G301-T308 VanDerWaalsContact O-CG2 3.3Å; G301-T308 WeakPolarHBondContact O-CG2 3.39Å; K302-T308 PolarHBondContact O-OG1 3.16Å; H305-T308 PolarHBondContact O-N 3.49Å; H305-T308 PolarHBondContact O-OG1 3.22Å; E306-T308 VanDerWaalsContact C-N 3.3Å; E306-T308 PolarHBondContact O-N 3.15Å
309N91.8Very high85.8Confident59 Ų5946.6 Ų46.632%0.31625%0.252SS..  trans-125.3179.5176.2-65.7-71.5000110.9L299 D300L299-N309 WeakPolarHBondContact CA-O 3.21Å; D300-N309 PolarHBondContact N-O 3.07Å; D300-N309 VanDerWaalsContact N-O 3.15Å; D300-N309 PolarHBondContact OD1-N 3.17Å
310L94.6Very high85.1Confident2 Ų248.7 Ų48.71%0.0126%0.262CS..BIsolated β-bridgetrans-59144.8164-62.3175.5000108.7H220 V263 P286 L288 I297 L299 S312 Y331 L359H220-L310 PolarHBondContact CE1-O 2.81Å; H220-L310 PolarHBondContact NE2-O 2.98Å; V263-L310 HydrophobicContact CB-CD1 4.31Å; V263-L310 HydrophobicContact CG1-CD2 4.43Å; V263-L310 HydrophobicContact CG2-CD1 4.38Å; P286-L310 HydrophobicContact CB-CD1 4.11Å; L288-L310 HydrophobicContact CB-CD2 4.33Å; L288-L310 HydrophobicContact CB-CG 4.29Å; L288-L310 HydrophobicContact CD1-CD2 4.22Å; I297-L310 HydrophobicContact CG2-CD2 3.58Å; L299-L310 HydrophobicContact CD2-CD2 4.3Å; L310-S312 PolarHBondContact O-N 2.79Å; L310-Y331 WeakPolarHBondContact CB-OH 3.45Å; L310-L359 HydrophobicContact CD1-CD2 4.35Å
311A94.9Very high83.5Confident0 Ų056.3 Ų56.30%030%0.303CS..PPolyproline II helixtrans-60.8132.9178.400000110.8V134 A298 V329 Y331V134-A311 HydrophobicContact CG1-CB 3.97Å; V134-A311 HydrophobicContact CG2-CB 4.19Å; A298-A311 HydrophobicContact CB-CB 3.78Å; A298-A311 WeakPolarHBondContact O-CB 2.91Å; A298-A311 PolarHBondContact O-N 2.86Å; A311-V329 HydrophobicContact CB-CB 4.38Å; A311-V329 HydrophobicContact CB-CG1 4.25Å; A311-V329 HydrophobicContact CB-CG2 3.84Å; A311-Y331 VanDerWaalsContact O-CE2 3.24Å; A311-Y331 WeakPolarHBondContact O-CE2 3.15Å; A311-Y331 PolarHBondContact O-OH 3.08Å
312S94.8Very high82.4Confident11 Ų1163.8 Ų63.88%0.07733%0.329CS..PPolyproline II helixtrans-64.3155.2173-63.80000111.5H220 L310 T314 L359H220-S312 PolarHBondContact NE2-OG 3.5Å; L310-S312 PolarHBondContact O-N 2.79Å; S312-T314 PolarHBondContact O-N 2.82Å; S312-L359 CarbonylContact C-O 3.58Å; S312-L359 VanDerWaalsContact CA-O 3.29Å; S312-L359 WeakPolarHBondContact CA-O 3.48Å
313S94.8Very high82.3Confident4 Ų466 Ų663%0.02835%0.348CS..PPolyproline II helixtrans-61.5131.9174.3-56.70000110.4Q182 I315 V329 Y331 R358 L359Q182-S313 PolarHBondContact OE1-O 3.45Å; S313-I315 PolarHBondContact O-N 2.8Å; S313-V329 CarbonylContact C-O 3.59Å; S313-V329 WeakPolarHBondContact CA-O 3.4Å; S313-Y331 VanDerWaalsContact OG-CD2 3.31Å; S313-Y331 WeakPolarHBondContact OG-CD2 3.4Å; S313-R358 WeakPolarHBondContact OG-CA 3.49Å; S313-L359 PolarHBondContact N-O 2.77Å; S313-L359 PolarHBondContact OG-N 3.04Å; S313-L359 PolarHBondContact OG-O 3.02Å
314T92.3Very high82.6Confident30 Ų3064.1 Ų64.118%0.18434%0.339CS..PPolyproline II helixtrans-80.4119.7-179.7-50.70000110.2S312 I316 L328 V329S312-T314 PolarHBondContact O-N 2.82Å; T314-I316 HydrophobicContact CG2-CG1 4.46Å; T314-L328 HydrophobicContact CG2-CD2 3.77Å; T314-V329 PolarHBondContact N-O 2.9Å; T314-V329 PolarHBondContact OG1-N 3.05Å
315I89.2Confident83.1Confident39 Ų3964.1 Ų64.120%0.234%0.341CS..PPolyproline II helixtrans-100.4121.5169.9-51.6175.9000108V39 Q182 P185 S313 M360V39-I315 HydrophobicContact CG1-CG2 3.91Å; V39-I315 HydrophobicContact CG2-CB 3.98Å; V39-I315 HydrophobicContact CG2-CD1 4.01Å; V39-I315 HydrophobicContact CG2-CG2 3.94Å; Q182-I315 PolarHBondContact NE2-O 2.82Å; P185-I315 HydrophobicContact CG-CD1 4.34Å; S313-I315 PolarHBondContact O-N 2.8Å; I315-M360 HydrophobicContact CD1-CE 3.6Å; I315-M360 HydrophobicContact CD1-SD 3.74Å; I315-M360 HydrophobicContact CG1-CE 4.05Å; I315-M360 HydrophobicContact CG1-SD 4.37Å
316I84.8Confident83.5Confident85 Ų8562.9 Ų62.944%0.43634%0.335SS..PPolyproline II helixtrans-94.2129.2174.8-57173.8000107.2T314 E318 I320 V324 L328T314-I316 HydrophobicContact CG2-CG1 4.46Å; I316-E318 PolarHBondContact O-N 2.84Å; I316-I320 HydrophobicContact CG2-CD1 3.93Å; I316-V324 HydrophobicContact CG2-CG2 4.06Å; I316-L328 HydrophobicContact CD1-CD1 4.11Å; I316-L328 HydrophobicContact CD1-CD2 4.37Å
317K81.8Confident84.2Confident71 Ų7156.5 Ų56.531%0.30931%0.306SS..PPolyproline II helixtrans-63.4133.6175.6-172.3178.7-179.5168.10109.6S40 D128 I320S40-K317 PolarHBondContact O-NZ 2.87Å; D128-K317 HydrophobicContact CB-CD 4.1Å; D128-K317 IonicContact OD2-NZ 2.81Å; D128-K317 PolarHBondContact OD2-NZ 2.91Å; K317-I320 HydrophobicContact CB-CD1 3.6Å; K317-I320 HydrophobicContact CB-CG1 3.95Å; K317-I320 WeakPolarHBondContact O-CD1 3.45Å; K317-I320 VanDerWaalsContact O-CG1 3.3Å; K317-I320 WeakPolarHBondContact O-CG1 3.49Å
318E79.9Confident84.7Confident191 Ų19155.3 Ų55.389%0.89330%0.299SS*.THydrogen-bonded Turntrans-62.8141.2177.1-69.8-173.116900111I316I316-E318 PolarHBondContact O-N 2.84Å
319G76.6Confident85.1Confident83 Ų8355 Ų5586%0.85630%0.297SS*.THydrogen-bonded Turntrans81.210.6176.600000115.9D321G319-D321 PolarHBondContact O-N 2.84Å
320I78.8Confident85.4Confident44 Ų4455 Ų5523%0.22630%0.302CS..  trans-70.2115170.2-57.2164.8000109.1D128 I316 K317 R322 V324D128-I320 WeakPolarHBondContact O-CD1 3.39Å; I316-I320 HydrophobicContact CG2-CD1 3.93Å; K317-I320 HydrophobicContact CB-CD1 3.6Å; K317-I320 HydrophobicContact CB-CG1 3.95Å; K317-I320 WeakPolarHBondContact O-CD1 3.45Å; K317-I320 VanDerWaalsContact O-CG1 3.3Å; K317-I320 WeakPolarHBondContact O-CG1 3.49Å; I320-R322 HydrophobicContact CG2-CB 4.34Å; I320-R322 WeakPolarHBondContact CG2-O 3.42Å; I320-R322 PolarHBondContact O-N 2.89Å; I320-V324 HydrophobicContact CD1-CG2 4.44Å
321D55.3Low85.5Confident168 Ų16855 Ų5590%0.89830%0.302SS*.SBendtrans-69.4-8.8-178.9-162.129.2000113.7G319G319-D321 PolarHBondContact O-N 2.84Å
322R63.3Low85.6Confident164 Ų16456.8 Ų56.862%0.61931%0.31SS*.SBendtrans-111.7134.3-179.2-65.1-173.9178.8-171.9-0.8111.3I320 V324I320-R322 HydrophobicContact CG2-CB 4.34Å; I320-R322 WeakPolarHBondContact CG2-O 3.42Å; I320-R322 PolarHBondContact O-N 2.89Å; R322-V324 PolarHBondContact O-N 3.23Å; R322-V324 VanDerWaalsContact O-N 3.16Å
323T76.8Confident85.8Confident118 Ų11856.2 Ų56.272%0.72431%0.306SS*.  trans-59.2117.3167.649.40000109.6L325T323-L325 PolarHBondContact O-N 2.97Å; T323-L325 VanDerWaalsContact O-N 3.13Å
324V81.7Confident85.9Confident15 Ų1558.5 Ų58.59%0.09132%0.315CS..  trans-64.9112.6174.8178.70000108.4P131 I316 I320 R322 L328P131-V324 HydrophobicContact CB-CG1 4.22Å; I316-V324 HydrophobicContact CG2-CG2 4.06Å; I320-V324 HydrophobicContact CD1-CG2 4.44Å; R322-V324 PolarHBondContact O-N 3.23Å; R322-V324 VanDerWaalsContact O-N 3.16Å; V324-L328 HydrophobicContact CB-CD2 4.45Å; V324-L328 HydrophobicContact CG1-CD2 4.04Å
325L86.1Confident86.2Confident38 Ų3857 Ų5720%0.19931%0.307CS..  trans-84.6139.2174.8-59.6179000109.2L87 P131 V252 T323L87-L325 WeakPolarHBondContact CD1-O 3.27Å; L87-L325 HydrophobicContact CD2-CB 3.81Å; L87-L325 HydrophobicContact CD2-CD1 4.18Å; P131-L325 WeakPolarHBondContact CD-O 3.34Å; P131-L325 VanDerWaalsContact CG-O 3.26Å; P131-L325 WeakPolarHBondContact CG-O 3.48Å; V252-L325 HydrophobicContact CG1-CD2 4.29Å; V252-L325 CarbonylContact O-C 3.59Å; V252-L325 WeakPolarHBondContact O-CA 3.38Å; T323-L325 PolarHBondContact O-N 2.97Å; T323-L325 VanDerWaalsContact O-N 3.13Å
326G90Very high86.6Confident0 Ų057.7 Ų57.70%031%0.308CS..EExtended strand (participates in β ladder)trans143.6-151.8-178.500000112.8V252V252-G326 PolarHBondContact N-O 3.47Å; V252-G326 PolarHBondContact O-N 3.36Å
327I92.1Very high87.1Confident0 Ų053.6 Ų53.60%029%0.287CS..EExtended strand (participates in β ladder)trans-112.5111176-53.4173.4000107.6F69 V134 L136 A249 V251 V329F69-I327 HydrophobicContact CE2-CD1 4.34Å; F69-I327 HydrophobicContact CE2-CG1 3.9Å; V134-I327 HydrophobicContact CB-CB 4.13Å; V134-I327 HydrophobicContact CG1-CB 3.8Å; V134-I327 HydrophobicContact CG1-CD1 4.17Å; V134-I327 HydrophobicContact CG1-CG2 3.69Å; L136-I327 HydrophobicContact CD2-CG2 4.39Å; L136-I327 HydrophobicContact CG-CD1 3.99Å; A249-I327 HydrophobicContact CB-CG2 4.16Å; V251-I327 HydrophobicContact CG2-CG1 4.26Å; V251-I327 HydrophobicContact CG2-CG2 4.44Å; I327-V329 HydrophobicContact CG2-CG2 4.14Å
328L92.8Very high87.7Confident30 Ų3051.2 Ų51.216%0.15728%0.278CS..EExtended strand (participates in β ladder)trans-94.2121.2177.8-51.1177.6000108.5N250 V252 T314 I316 V324N250-L328 HydrophobicContact CB-CB 4.35Å; N250-L328 PolarHBondContact N-O 3.26Å; N250-L328 PolarHBondContact O-N 2.85Å; V252-L328 HydrophobicContact CG2-CD1 3.91Å; V252-L328 HydrophobicContact CG2-CG 4.35Å; T314-L328 HydrophobicContact CG2-CD2 3.77Å; I316-L328 HydrophobicContact CD1-CD1 4.11Å; I316-L328 HydrophobicContact CD1-CD2 4.37Å; V324-L328 HydrophobicContact CB-CD2 4.45Å; V324-L328 HydrophobicContact CG1-CD2 4.04Å
329V95.7Very high88.3Confident4 Ų442.1 Ų42.12%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-109131.4-176.2-176.40000109.7V134 Q247 V248 A298 A311 S313 T314 I327 Y331V134-V329 HydrophobicContact CG1-CG2 3.9Å; V134-V329 HydrophobicContact CG2-CG2 4.45Å; Q247-V329 HydrophobicContact CG-CG1 3.83Å; V248-V329 WeakPolarHBondContact O-CA 3.31Å; A298-V329 HydrophobicContact CB-CG1 4.47Å; A298-V329 HydrophobicContact CB-CG2 3.65Å; A311-V329 HydrophobicContact CB-CB 4.38Å; A311-V329 HydrophobicContact CB-CG1 4.25Å; A311-V329 HydrophobicContact CB-CG2 3.84Å; S313-V329 CarbonylContact C-O 3.59Å; S313-V329 WeakPolarHBondContact CA-O 3.4Å; T314-V329 PolarHBondContact N-O 2.9Å; T314-V329 PolarHBondContact OG1-N 3.05Å; I327-V329 HydrophobicContact CG2-CG2 4.14Å; V329-Y331 HydrophobicContact CG1-CD2 4.33Å; V329-Y331 HydrophobicContact CG1-CE2 3.67Å
330S96.4Very high88.9Confident58 Ų5839 Ų3941%0.40620%0.201SC..EExtended strand (participates in β ladder)trans-131.9160.7169.762.40000110.6V248V248-S330 PolarHBondContact N-O 3.1Å; V248-S330 PolarHBondContact O-N 2.82Å
331Y97.6Very high89.1Confident3 Ų337.7 Ų37.71%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-125.5148178.4-69.2-99.3000110.7V245 E246 Q247 V263 L310 A311 S313 V329 F357 L359V245-Y331 HydrophobicContact CG1-CD1 4.1Å; E246-Y331 WeakPolarHBondContact O-CA 3.36Å; Q247-Y331 HydrophobicContact CB-CD1 4.1Å; Q247-Y331 HydrophobicContact CB-CE1 3.74Å; Q247-Y331 HydrophobicContact CG-CD1 4.36Å; Q247-Y331 HydrophobicContact CG-CE1 3.76Å; Q247-Y331 HydrophobicContact CG-CE2 4.41Å; Q247-Y331 PolarHBondContact NE2-OH 3.21Å; V263-Y331 HydrophobicContact CG2-CE1 4.26Å; L310-Y331 WeakPolarHBondContact CB-OH 3.45Å; A311-Y331 VanDerWaalsContact O-CE2 3.24Å; A311-Y331 WeakPolarHBondContact O-CE2 3.15Å; A311-Y331 PolarHBondContact O-OH 3.08Å; S313-Y331 VanDerWaalsContact OG-CD2 3.31Å; S313-Y331 WeakPolarHBondContact OG-CD2 3.4Å; V329-Y331 HydrophobicContact CG1-CD2 4.33Å; V329-Y331 HydrophobicContact CG1-CE2 3.67Å; Y331-F357 HydrophobicContact CD1-CZ 4.31Å; Y331-F357 HydrophobicContact CG-CZ 4.23Å; Y331-F357 PolarHBondContact O-N 3.14Å; Y331-F357 VanDerWaalsContact O-N 3.09Å; Y331-L359 HydrophobicContact CD1-CB 4.47Å; Y331-L359 HydrophobicContact CD1-CD2 4.35Å; Y331-L359 HydrophobicContact CD2-CB 3.82Å; Y331-L359 HydrophobicContact CE1-CB 4.49Å; Y331-L359 HydrophobicContact CE1-CD2 3.78Å; Y331-L359 HydrophobicContact CE2-CB 3.85Å; Y331-L359 HydrophobicContact CE2-CD2 4.21Å; Y331-L359 HydrophobicContact CG-CB 4.12Å
332Q97.5Very high90Very high36 Ų3636 Ų3617%0.16818%0.183CC..EExtended strand (participates in β ladder)trans-143.9146.1175.462.6-173.535.700111E246 V248 E354 V355E246-Q332 HydrophobicContact CB-CG 3.86Å; E246-Q332 PolarHBondContact N-O 2.82Å; E246-Q332 PolarHBondContact O-N 2.87Å; E246-Q332 PolarHBondContact OE2-NE2 2.9Å; V248-Q332 HydrophobicContact CG2-CG 4.31Å; Q332-E354 PolarHBondContact NE2-OE2 2.91Å; Q332-V355 CarbonylContact C-O 3.53Å; Q332-V355 WeakPolarHBondContact CA-O 3.45Å
333I98.1Very high90.6Very high0 Ų035.4 Ų35.40%019%0.191CC..EExtended strand (participates in β ladder)trans-88.1120.8165.6-64.6-58.9000107.9L213 I224 V226 F244 V245 V335 E354 V355 F357L213-I333 HydrophobicContact CD1-CG1 4.02Å; L213-I333 HydrophobicContact CD2-CG1 3.93Å; I224-I333 HydrophobicContact CG2-CD1 4.3Å; V226-I333 HydrophobicContact CG1-CG2 3.77Å; V226-I333 HydrophobicContact CG2-CD1 3.99Å; V226-I333 HydrophobicContact CG2-CG1 4.07Å; V226-I333 HydrophobicContact CG2-CG2 3.9Å; F244-I333 CarbonylContact O-C 3.59Å; F244-I333 VanDerWaalsContact O-CA 3.31Å; F244-I333 WeakPolarHBondContact O-CA 3.32Å; V245-I333 HydrophobicContact CB-CD1 4.32Å; V245-I333 HydrophobicContact CG2-CD1 3.63Å; I333-V335 HydrophobicContact CG2-CG2 4.03Å; I333-E354 CarbonylContact O-C 3.57Å; I333-E354 VanDerWaalsContact O-CA 3.26Å; I333-E354 WeakPolarHBondContact O-CA 3.49Å; I333-V355 PolarHBondContact N-O 3.12Å; I333-V355 PolarHBondContact O-N 2.77Å; I333-F357 HydrophobicContact CD1-CD1 4.24Å; I333-F357 HydrophobicContact CD1-CE1 3.71Å; I333-F357 HydrophobicContact CD1-CZ 4.4Å; I333-F357 HydrophobicContact CG1-CD1 3.81Å; I333-F357 HydrophobicContact CG1-CE1 3.81Å
334K98.1Very high90.1Very high51 Ų5131.6 Ų31.622%0.22218%0.175CC..EExtended strand (participates in β ladder)trans-104.9120.3171.5-176.6176.5-163.2132.20109.3A243 F244 E246 A352 T353 E354A243-K334 CarbonylContact C-O 3.56Å; A243-K334 WeakPolarHBondContact CA-O 3.46Å; F244-K334 HydrophobicContact CB-CB 4.29Å; F244-K334 WeakPolarHBondContact CD2-O 3.46Å; F244-K334 PolarHBondContact N-O 2.9Å; F244-K334 PolarHBondContact O-N 2.97Å; E246-K334 HydrophobicContact CG-CB 4.44Å; E246-K334 VanDerWaalsContact OE1-CD 3.26Å; E246-K334 WeakPolarHBondContact OE1-CD 3.27Å; E246-K334 IonicContact OE1-NZ 3.86Å; E246-K334 WeakPolarHBondContact OE2-CD 3.27Å; E246-K334 IonicContact OE2-NZ 2.96Å; K334-A352 HydrophobicContact CG-CB 4.3Å; K334-T353 WeakPolarHBondContact CA-O 3.4Å; K334-E354 HydrophobicContact CB-CG 4.07Å; K334-E354 HydrophobicContact CD-CG 4.42Å; K334-E354 WeakPolarHBondContact CE-OE1 3.32Å; K334-E354 HydrophobicContact CG-CG 3.92Å; K334-E354 IonicContact NZ-OE1 2.65Å; K334-E354 PolarHBondContact NZ-OE1 2.93Å
335V97.8Very high89.4Confident0 Ų038.7 Ų38.70%021%0.208CC..EExtended strand (participates in β ladder)trans-104.8120.6172.8-178.70000108.5L209 V211 V226 V228 I241 K242 I333 L337 A352 T353L209-V335 HydrophobicContact CD1-CG1 4.47Å; L209-V335 HydrophobicContact CD2-CB 4.32Å; L209-V335 HydrophobicContact CD2-CG1 4.06Å; V211-V335 HydrophobicContact CB-CG2 4.41Å; V211-V335 HydrophobicContact CG1-CG2 3.8Å; V211-V335 HydrophobicContact CG2-CB 3.91Å; V211-V335 HydrophobicContact CG2-CG1 4.39Å; V211-V335 HydrophobicContact CG2-CG2 3.66Å; V226-V335 HydrophobicContact CG1-CG2 4.2Å; V228-V335 HydrophobicContact CG1-CG1 3.95Å; V228-V335 HydrophobicContact CG2-CG1 4.17Å; V228-V335 HydrophobicContact CG2-CG2 4.06Å; I241-V335 HydrophobicContact CG2-CG1 4.19Å; K242-V335 CarbonylContact O-C 3.58Å; K242-V335 WeakPolarHBondContact O-CA 3.39Å; I333-V335 HydrophobicContact CG2-CG2 4.03Å; V335-L337 HydrophobicContact CG1-CD2 4.46Å; V335-A352 WeakPolarHBondContact O-CA 3.3Å; V335-T353 HydrophobicContact CB-CG2 4.44Å; V335-T353 PolarHBondContact N-O 2.91Å; V335-T353 PolarHBondContact O-N 3Å
336K97.1Very high88.8Confident52 Ų5245.4 Ų45.423%0.22624%0.243CC..EExtended strand (participates in β ladder)trans-113.5125-177.4-169.5-178.8-171.3-171.60110K242 F244 E350 V351 A352K242-K336 PolarHBondContact N-O 2.82Å; K242-K336 PolarHBondContact O-N 2.79Å; F244-K336 HydrophobicContact CE2-CB 3.9Å; F244-K336 HydrophobicContact CE2-CD 4.27Å; K336-E350 WeakPolarHBondContact CE-OE1 3.4Å; K336-E350 WeakPolarHBondContact CE-OE2 3.4Å; K336-E350 IonicContact NZ-OE1 2.68Å; K336-E350 PolarHBondContact NZ-OE1 3.24Å; K336-E350 IonicContact NZ-OE2 2.59Å; K336-E350 PolarHBondContact NZ-OE2 2.98Å; K336-V351 CarbonylContact C-O 3.56Å; K336-V351 WeakPolarHBondContact CA-O 3.35Å; K336-A352 HydrophobicContact CB-CB 4.38Å; K336-A352 HydrophobicContact CG-CB 4.4Å
337L95.5Very high88.4Confident0 Ų048 Ų480%026%0.259CS..EExtended strand (participates in β ladder)trans-104.5126.9173.4-52.2179.7000109.3W198 L207 L209 V230 V238 I241 V335 V339 E350 V351W198-L337 HydrophobicContact CZ3-CD1 4.26Å; L207-L337 HydrophobicContact CD2-CD1 4.07Å; L209-L337 HydrophobicContact CB-CD1 4.27Å; L209-L337 HydrophobicContact CD1-CD1 4.13Å; L209-L337 HydrophobicContact CD1-CD2 4.39Å; L209-L337 HydrophobicContact CD2-CD1 3.98Å; L209-L337 HydrophobicContact CD2-CG 4.11Å; L209-L337 HydrophobicContact CG-CD1 4.37Å; V230-L337 HydrophobicContact CG1-CD1 4.36Å; V230-L337 HydrophobicContact CG2-CD1 4.37Å; V230-L337 HydrophobicContact CG2-CD2 4.04Å; V238-L337 HydrophobicContact CG1-CB 4.06Å; V238-L337 HydrophobicContact CG1-CD2 4.26Å; I241-L337 HydrophobicContact CB-CD2 4.19Å; I241-L337 HydrophobicContact CD1-CD2 4.49Å; I241-L337 HydrophobicContact CG1-CD2 3.79Å; I241-L337 HydrophobicContact CG2-CD2 3.87Å; V335-L337 HydrophobicContact CG1-CD2 4.46Å; L337-V339 HydrophobicContact CB-CG2 4.43Å; L337-E350 WeakPolarHBondContact O-CA 3.4Å; L337-V351 HydrophobicContact CB-CG2 3.81Å; L337-V351 HydrophobicContact CD1-CG2 4.23Å; L337-V351 HydrophobicContact CG-CG2 4.37Å; L337-V351 PolarHBondContact N-O 3.01Å; L337-V351 PolarHBondContact O-N 2.89Å
338T94.2Very high88.1Confident21 Ų2151.2 Ų51.213%0.12928%0.281CS..EExtended strand (participates in β ladder)trans-96.2108.5170.1-54.70000108.6K239 K240K239-T338 WeakPolarHBondContact CB-O 3.46Å; K239-T338 PolarHBondContact N-O 3Å; K240-T338 PolarHBondContact O-N 2.96Å
339V92.2Very high88Confident0 Ų052 Ų520%029%0.289CS..EExtended strand (participates in β ladder)trans-98.5144.2-177.8-170.80000109.6F200 L207 K236 V238 L337 S348 S349 V351F200-V339 HydrophobicContact CE2-CG1 4.4Å; F200-V339 HydrophobicContact CZ-CB 4.28Å; F200-V339 HydrophobicContact CZ-CG1 4.18Å; F200-V339 HydrophobicContact CZ-CG2 4.02Å; L207-V339 HydrophobicContact CD2-CG2 3.74Å; K236-V339 HydrophobicContact CB-CG1 3.61Å; K236-V339 HydrophobicContact CD-CG1 3.93Å; K236-V339 HydrophobicContact CG-CG1 4.41Å; V238-V339 HydrophobicContact CG2-CG2 4.38Å; L337-V339 HydrophobicContact CB-CG2 4.43Å; V339-S348 CarbonylContact O-C 3.6Å; V339-S348 WeakPolarHBondContact O-CA 3.49Å; V339-S348 WeakPolarHBondContact O-CB 3.31Å; V339-S349 PolarHBondContact N-O 3.22Å; V339-S349 PolarHBondContact O-N 3.03Å; V339-V351 HydrophobicContact CG2-CG2 4.28Å
340S89.4Confident87.8Confident17 Ų1756.9 Ų56.912%0.11931%0.312CS..EExtended strand (participates in β ladder)trans-59.3134.2172.542.10000112.1K236 T237K236-S340 WeakPolarHBondContact CD-O 3.29Å; T237-S340 PolarHBondContact N-OG 2.59Å; T237-S340 PolarHBondContact O-N 3.02Å; T237-S340 PolarHBondContact O-OG 2.85Å
341G82.9Confident87.7Confident16 Ų1654.9 Ų54.917%0.16530%0.297CS..PPolyproline II helixtrans-77.6171.2179.700000112.7T347G341-T347 WeakPolarHBondContact CA-O 3.37Å; G341-T347 VanDerWaalsContact CA-OG1 3.29Å; G341-T347 WeakPolarHBondContact CA-OG1 3.42Å; G341-T347 PolarHBondContact N-O 2.59Å
342F74.9Confident87.6Confident133 Ų13356.7 Ų56.758%0.58331%0.313SS*.THydrogen-bonded Turntrans-74.4-37.1-177.7171-105.5000113.1M202 G344M202-F342 HydrophobicContact CE-CD1 3.73Å; M202-F342 HydrophobicContact CE-CD2 3.41Å; M202-F342 VanDerWaalsContact CE-CD2 3.41Å; M202-F342 HydrophobicContact CE-CE1 3.5Å; M202-F342 HydrophobicContact CE-CE2 3.15Å; M202-F342 HydrophobicContact CE-CG 3.7Å; M202-F342 HydrophobicContact CE-CZ 3.21Å; M202-F342 HydrophobicContact SD-CD2 4.37Å; M202-F342 HydrophobicContact SD-CE2 3.67Å; M202-F342 HydrophobicContact SD-CZ 3.81Å; F342-G344 PolarHBondContact O-N 2.93Å
343L75.4Confident87.6Confident151 Ų15155.9 Ų55.979%0.79131%0.31SS*.THydrogen-bonded Turntrans-8131-177.9-80.2131.2000113.2T347L343-T347 HydrophobicContact CB-CG2 4.06Å; L343-T347 PolarHBondContact N-OG1 2.8Å
344G66.7Low87.5Confident38 Ų3859.8 Ų59.839%0.39233%0.328SS..  trans92.7179.9179.300000114.9F342 L346 T347F342-G344 PolarHBondContact O-N 2.93Å; G344-L346 PolarHBondContact O-N 2.93Å; G344-L346 VanDerWaalsContact O-N 3.08Å; G344-T347 PolarHBondContact O-N 2.65Å; G344-T347 VanDerWaalsContact O-N 3.14Å; G344-T347 PolarHBondContact O-OG1 3.06Å; G344-T347 VanDerWaalsContact O-OG1 3.05Å
345E66Low87.5Confident165 Ų16557.4 Ų57.477%0.77132%0.318SS*.THydrogen-bonded Turntrans-62.2-17.4-170.1-86.8-167.7146.300115.1K239K239-E345 PolarHBondContact NZ-O 3.25Å
346L73.9Confident87.4Confident178 Ų17862 Ų6293%0.93235%0.348SS*.THydrogen-bonded Turntrans-79.5-23.7179.2-156.570.6000112.5G344G344-L346 PolarHBondContact O-N 2.93Å; G344-L346 VanDerWaalsContact O-N 3.08Å
347T81.3Confident87.4Confident55 Ų5559.9 Ų59.934%0.33734%0.339SS..  trans-90.3149.3176.263.30000110.7G341 L343 G344G341-T347 WeakPolarHBondContact CA-O 3.37Å; G341-T347 VanDerWaalsContact CA-OG1 3.29Å; G341-T347 WeakPolarHBondContact CA-OG1 3.42Å; G341-T347 PolarHBondContact N-O 2.59Å; L343-T347 HydrophobicContact CB-CG2 4.06Å; L343-T347 PolarHBondContact N-OG1 2.8Å; G344-T347 PolarHBondContact O-N 2.65Å; G344-T347 VanDerWaalsContact O-N 3.14Å; G344-T347 PolarHBondContact O-OG1 3.06Å; G344-T347 VanDerWaalsContact O-OG1 3.05Å
348S86.8Confident87.4Confident67 Ų6763.8 Ų63.847%0.46935%0.353SS..EExtended strand (participates in β ladder)trans-144.7143.4176.655.20000111.6V339V339-S348 CarbonylContact O-C 3.6Å; V339-S348 WeakPolarHBondContact O-CA 3.49Å; V339-S348 WeakPolarHBondContact O-CB 3.31Å
349S90.3Very high87.5Confident47 Ų4762.8 Ų62.833%0.32935%0.347SS..EExtended strand (participates in β ladder)trans-106137.5171.7-171.70000108.9V339V339-S349 PolarHBondContact N-O 3.22Å; V339-S349 PolarHBondContact O-N 3.03Å
350E92.2Very high87.6Confident107 Ų10762.8 Ų62.850%0.535%0.347SS..EExtended strand (participates in β ladder)trans-109.2129.9178.7-60.5-174.2131.600109.6K336 L337K336-E350 WeakPolarHBondContact CE-OE1 3.4Å; K336-E350 WeakPolarHBondContact CE-OE2 3.4Å; K336-E350 IonicContact NZ-OE1 2.68Å; K336-E350 PolarHBondContact NZ-OE1 3.24Å; K336-E350 IonicContact NZ-OE2 2.59Å; K336-E350 PolarHBondContact NZ-OE2 2.98Å; L337-E350 WeakPolarHBondContact O-CA 3.4Å
351V94.6Very high87.6Confident16 Ų1663.4 Ų63.410%0.09735%0.348CS..EExtended strand (participates in β ladder)trans-124.4147.4172.7-63.20000108.6W198 F200 L207 K336 L337 V339W198-V351 HydrophobicContact CB-CG1 4.34Å; W198-V351 HydrophobicContact CD2-CB 3.69Å; W198-V351 HydrophobicContact CD2-CG1 3.97Å; W198-V351 HydrophobicContact CD2-CG2 3.88Å; W198-V351 HydrophobicContact CE3-CB 4.04Å; W198-V351 HydrophobicContact CE3-CG2 3.68Å; W198-V351 HydrophobicContact CG-CB 4.08Å; W198-V351 HydrophobicContact CG-CG1 3.82Å; W198-V351 HydrophobicContact CH2-CB 4.31Å; W198-V351 HydrophobicContact CH2-CG2 4.19Å; W198-V351 HydrophobicContact CZ2-CB 4.03Å; W198-V351 HydrophobicContact CZ2-CG2 4.4Å; W198-V351 HydrophobicContact CZ3-CB 4.31Å; W198-V351 HydrophobicContact CZ3-CG2 3.82Å; F200-V351 HydrophobicContact CE1-CG1 4.13Å; F200-V351 HydrophobicContact CZ-CG1 4.05Å; L207-V351 HydrophobicContact CD2-CG2 4.25Å; K336-V351 CarbonylContact C-O 3.56Å; K336-V351 WeakPolarHBondContact CA-O 3.35Å; L337-V351 HydrophobicContact CB-CG2 3.81Å; L337-V351 HydrophobicContact CD1-CG2 4.23Å; L337-V351 HydrophobicContact CG-CG2 4.37Å; L337-V351 PolarHBondContact N-O 3.01Å; L337-V351 PolarHBondContact O-N 2.89Å; V339-V351 HydrophobicContact CG2-CG2 4.28Å
352A95.9Very high87.8Confident41 Ų4165.6 Ų65.634%0.33936%0.36SS..EExtended strand (participates in β ladder)trans-145.6149.6-178.300000111.7W198 K334 V335 K336W198-A352 WeakPolarHBondContact CZ2-O 3.35Å; K334-A352 HydrophobicContact CG-CB 4.3Å; V335-A352 WeakPolarHBondContact O-CA 3.3Å; K336-A352 HydrophobicContact CB-CB 4.38Å; K336-A352 HydrophobicContact CG-CB 4.4Å
353T96.6Very high88Confident18 Ų1863 Ų6311%0.1135%0.349CS..EExtended strand (participates in β ladder)trans-127.9154.4169.1-163.30000109.5L209 V211 K334 V335L209-T353 HydrophobicContact CD2-CG2 3.53Å; L209-T353 HydrophobicContact CG-CG2 4.16Å; V211-T353 HydrophobicContact CB-CG2 4.41Å; V211-T353 HydrophobicContact CG2-CG2 3.54Å; K334-T353 WeakPolarHBondContact CA-O 3.4Å; V335-T353 HydrophobicContact CB-CG2 4.44Å; V335-T353 PolarHBondContact N-O 2.91Å; V335-T353 PolarHBondContact O-N 3Å
354E96.8Very high87.8Confident83 Ų8358.4 Ų58.439%0.38833%0.329SS..EExtended strand (participates in β ladder)trans-124.5140.8-175.9-65.2172.5-175.300109.7Q332 I333 K334Q332-E354 PolarHBondContact NE2-OE2 2.91Å; I333-E354 CarbonylContact O-C 3.57Å; I333-E354 VanDerWaalsContact O-CA 3.26Å; I333-E354 WeakPolarHBondContact O-CA 3.49Å; K334-E354 HydrophobicContact CB-CG 4.07Å; K334-E354 HydrophobicContact CD-CG 4.42Å; K334-E354 WeakPolarHBondContact CE-OE1 3.32Å; K334-E354 HydrophobicContact CG-CG 3.92Å; K334-E354 IonicContact NZ-OE1 2.65Å; K334-E354 PolarHBondContact NZ-OE1 2.93Å
355V97.1Very high87.5Confident1 Ų164.6 Ų64.61%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-129.5116.1177.7-177.10000108.3P192 A194 V211 L213 Q332 I333P192-V355 HydrophobicContact CB-CG1 3.44Å; P192-V355 VanDerWaalsContact CB-CG1 3.44Å; A194-V355 HydrophobicContact CB-CG2 3.53Å; V211-V355 HydrophobicContact CB-CG2 3.84Å; V211-V355 HydrophobicContact CG1-CG2 3.78Å; L213-V355 HydrophobicContact CD1-CG1 4.02Å; L213-V355 HydrophobicContact CG-CG1 4.24Å; Q332-V355 CarbonylContact C-O 3.53Å; Q332-V355 WeakPolarHBondContact CA-O 3.45Å; I333-V355 PolarHBondContact N-O 3.12Å; I333-V355 PolarHBondContact O-N 2.77Å
356P96.8Very high86.9Confident96 Ų9661.4 Ų61.462%0.62334%0.336SS*.EExtended strand (participates in β ladder)trans-71.8147.8178.630.3-34.6000111.3
357F96.4Very high85.8Confident8 Ų856.8 Ų56.84%0.03532%0.316CS..EExtended strand (participates in β ladder)trans-150.2168.6170.376.2-83.1000109.9L213 Y218 I224 V245 Y331 I333 L359L213-F357 HydrophobicContact CD1-CB 3.79Å; L213-F357 HydrophobicContact CD1-CD1 4.41Å; L213-F357 HydrophobicContact CD1-CG 4.3Å; Y218-F357 AromaticContact CD2-CD2 3.75Å; Y218-F357 HydrophobicContact CD2-CD2 3.75Å; Y218-F357 HydrophobicContact CD2-CE2 4.31Å; Y218-F357 HydrophobicContact CD2-CG 4.45Å; Y218-F357 HydrophobicContact CE2-CD2 4.5Å; I224-F357 HydrophobicContact CD1-CD2 4.42Å; I224-F357 HydrophobicContact CD1-CE2 3.54Å; I224-F357 HydrophobicContact CD1-CZ 3.61Å; V245-F357 HydrophobicContact CG1-CE1 3.98Å; V245-F357 HydrophobicContact CG1-CZ 3.65Å; Y331-F357 HydrophobicContact CD1-CZ 4.31Å; Y331-F357 HydrophobicContact CG-CZ 4.23Å; Y331-F357 PolarHBondContact O-N 3.14Å; Y331-F357 VanDerWaalsContact O-N 3.09Å; I333-F357 HydrophobicContact CD1-CD1 4.24Å; I333-F357 HydrophobicContact CD1-CE1 3.71Å; I333-F357 HydrophobicContact CD1-CZ 4.4Å; I333-F357 HydrophobicContact CG1-CD1 3.81Å; I333-F357 HydrophobicContact CG1-CE1 3.81Å; F357-L359 HydrophobicContact CE2-CB 4.11Å
358R95.6Very high84.2Confident81 Ų8158.3 Ų58.331%0.30634%0.335SS..EExtended strand (participates in β ladder)trans-108.7133.5175.8-56.3-168.4-167.391.616111.1E216 I217 Y218 S313 M360E216-R358 PolarHBondContact O-N 3.17Å; E216-R358 IonicContact OE1-CZ 3.54Å; E216-R358 IonicContact OE1-NH1 3.43Å; E216-R358 PolarHBondContact OE1-NH1 2.68Å; E216-R358 IonicContact OE1-NH2 3.55Å; E216-R358 PolarHBondContact OE1-NH2 2.94Å; E216-R358 IonicContact OE2-NH1 2.74Å; E216-R358 PolarHBondContact OE2-NH1 2.88Å; I217-R358 CarbonylContact C-O 3.46Å; I217-R358 WeakPolarHBondContact CA-O 3.15Å; I217-R358 HydrophobicContact CG1-CB 4.25Å; I217-R358 HydrophobicContact CG2-CB 4.41Å; Y218-R358 PolarHBondContact N-O 2.76Å; S313-R358 WeakPolarHBondContact OG-CA 3.49Å; R358-M360 HydrophobicContact CB-CG 4.31Å; R358-M360 HydrophobicContact CB-SD 4.37Å
359L95.8Very high82.3Confident0 Ų062.7 Ų62.70%035%0.345CS..EExtended strand (participates in β ladder)trans-109.8120.8169.2-174.567.9000109Y218 P286 L310 S312 S313 Y331 F357Y218-L359 WeakPolarHBondContact O-CA 3.04Å; P286-L359 HydrophobicContact CG-CD1 4.44Å; P286-L359 HydrophobicContact CG-CD2 4.31Å; L310-L359 HydrophobicContact CD1-CD2 4.35Å; S312-L359 CarbonylContact C-O 3.58Å; S312-L359 VanDerWaalsContact CA-O 3.29Å; S312-L359 WeakPolarHBondContact CA-O 3.48Å; S313-L359 PolarHBondContact N-O 2.77Å; S313-L359 PolarHBondContact OG-N 3.04Å; S313-L359 PolarHBondContact OG-O 3.02Å; Y331-L359 HydrophobicContact CD1-CB 4.47Å; Y331-L359 HydrophobicContact CD1-CD2 4.35Å; Y331-L359 HydrophobicContact CD2-CB 3.82Å; Y331-L359 HydrophobicContact CE1-CB 4.49Å; Y331-L359 HydrophobicContact CE1-CD2 3.78Å; Y331-L359 HydrophobicContact CE2-CB 3.85Å; Y331-L359 HydrophobicContact CE2-CD2 4.21Å; Y331-L359 HydrophobicContact CG-CB 4.12Å; F357-L359 HydrophobicContact CE2-CB 4.11Å
360M93.8Very high80.5Confident0 Ų064.1 Ų64.10%035%0.347CS..EExtended strand (participates in β ladder)trans-145.4170.9-172.4-57.9-171.68000113Q182 H183 A184 I217 Y218 F219 H220 I315 R358Q182-M360 HydrophobicContact CB-CE 4Å; Q182-M360 HydrophobicContact CG-CE 3.68Å; H183-M360 VanDerWaalsContact O-CE 3.24Å; H183-M360 WeakPolarHBondContact O-CE 3.34Å; A184-M360 HydrophobicContact CB-CB 4.17Å; A184-M360 HydrophobicContact CB-SD 4.3Å; I217-M360 HydrophobicContact CG2-CB 4.49Å; I217-M360 HydrophobicContact CG2-CG 4.45Å; I217-M360 HydrophobicContact CG2-SD 4.48Å; Y218-M360 PolarHBondContact O-N 2.77Å; F219-M360 VanDerWaalsContact CA-O 3.32Å; F219-M360 WeakPolarHBondContact CA-O 3.39Å; H220-M360 PolarHBondContact CD2-O 3.04Å; H220-M360 PolarHBondContact N-O 3.4Å; I315-M360 HydrophobicContact CD1-CE 3.6Å; I315-M360 HydrophobicContact CD1-SD 3.74Å; I315-M360 HydrophobicContact CG1-CE 4.05Å; I315-M360 HydrophobicContact CG1-SD 4.37Å; R358-M360 HydrophobicContact CB-CG 4.31Å; R358-M360 HydrophobicContact CB-SD 4.37Å
361H90.6Very high78.6Confident30 Ų3062.5 Ų62.514%0.13935%0.347CS..BIsolated β-bridgetrans-77.2142.1167.6-77.1-68.4000110.9V181 A184 H220 D300V181-H361 WeakPolarHBondContact CG1-CD2 3.24Å; A184-H361 PolarHBondContact N-O 2.79Å; H220-H361 AromaticContact CD2-CD2 3.88Å; H220-H361 AromaticContact CD2-CE1 3.53Å; H220-H361 AromaticContact CD2-CG 3.83Å; H220-H361 AromaticContact CD2-ND1 3.61Å; H220-H361 AromaticContact CD2-NE2 3.7Å; H220-H361 AromaticContact NE2-NE2 3.93Å; D300-H361 IonicContact OD2-CD2 2.98Å; D300-H361 IonicContact OD2-CE1 2.79Å; D300-H361 IonicContact OD2-NE2 3.32Å; D300-H361 PolarHBondContact OD2-NE2 3.36Å
362P87.5Confident76.9Confident63 Ų6362.7 Ų62.741%0.40935%0.346SS..PPolyproline II helixtrans-66.2148.8175.630-35.1000110.3H183 F219H183-P362 PolarHBondContact CE1-O 3.45Å; H183-P362 PolarHBondContact ND1-O 2.87Å; F219-P362 HydrophobicContact CD1-CB 3.89Å; F219-P362 HydrophobicContact CD2-CB 4.4Å; F219-P362 HydrophobicContact CE1-CB 4.02Å; F219-P362 HydrophobicContact CE2-CB 4.5Å; F219-P362 HydrophobicContact CG-CB 4.09Å; F219-P362 HydrophobicContact CZ-CB 4.32Å
363Q78.7Confident74.7Confident77 Ų7767.5 Ų67.536%0.3636%0.361SS..PPolyproline II helixtrans-58.6140.9177.2-78.8-167.3-10.200111.8A184A184-Q363 WeakPolarHBondContact O-CG 3.27Å; A184-Q363 PolarHBondContact O-NE2 2.88Å
364P70.7Confident72.7Confident56 Ų5673.6 Ų73.636%0.36439%0.394SS..PPolyproline II helixtrans-68.9158.1171.97.98000109.8I36 H183I36-P364 HydrophobicContact CD1-CB 4.36Å; I36-P364 HydrophobicContact CD1-CG 3.35Å; I36-P364 HydrophobicContact CG1-CG 4.45Å; H183-P364 WeakPolarHBondContact ND1-CD 3.42Å
365E59.6Low71.1Confident168 Ų16870.6 Ų70.679%0.78538%0.383SS*.SBendtrans-60.1150.1169.5-66.9-168.917700111.3
366D54.6Low70.1Confident98 Ų9874.2 Ų74.252%0.52440%0.402SS..  trans-45.1117.8-169.6-165.3-15.3000113.4A368 K369D366-A368 PolarHBondContact O-N 2.84Å; D366-A368 WeakPolarHBondContact OD1-CB 3.06Å; D366-A368 PolarHBondContact OD1-N 3.29Å; D366-K369 PolarHBondContact O-N 2.88Å
367P51.2Low69.4Low81 Ų8170.1 Ų70.153%0.52638%0.375SS..G310 helixtrans-60.7-17.1-178.323.7-33.6000113.1K369 E370P367-K369 PolarHBondContact O-N 2.85Å; P367-K369 VanDerWaalsContact O-N 3.16Å; P367-E370 PolarHBondContact O-N 3.36Å
368A46.4Very low69Low87 Ų8772 Ų7272%0.71939%0.387SS*.G310 helixtrans-63.3-14.5173.400000113.8D366D366-A368 PolarHBondContact O-N 2.84Å; D366-A368 WeakPolarHBondContact OD1-CB 3.06Å; D366-A368 PolarHBondContact OD1-N 3.29Å
369K48.1Very low68.7Low159 Ų15971 Ų7169%0.69139%0.385SS*.G310 helixtrans-90.1-6.9177.9-69.1-177.3-177.81730114.7D366 P367 S371D366-K369 PolarHBondContact O-N 2.88Å; P367-K369 PolarHBondContact O-N 2.85Å; P367-K369 VanDerWaalsContact O-N 3.16Å; K369-S371 PolarHBondContact O-N 2.85Å
370E52.1Low68.4Low77 Ų7774.9 Ų74.936%0.3640%0.403SS..  trans-75.686.3175.2-69.6-174.6-179.300110.3K32 P367 Y372K32-E370 VanDerWaalsContact NZ-CD 3.31Å; K32-E370 IonicContact NZ-OE1 3.57Å; K32-E370 PolarHBondContact NZ-OE1 3.37Å; K32-E370 IonicContact NZ-OE2 2.66Å; K32-E370 PolarHBondContact NZ-OE2 3.15Å; P367-E370 PolarHBondContact O-N 3.36Å; E370-Y372 HydrophobicContact CB-CD2 4.39Å; E370-Y372 HydrophobicContact CB-CE2 3.68Å; E370-Y372 WeakPolarHBondContact O-CD2 3.46Å; E370-Y372 PolarHBondContact OE2-OH 3.33Å
371S51Low68.3Low72 Ų7280 Ų8050%0.50343%0.427SS..  trans-82.2115.1167.6-177.20000109.9K369 Q373K369-S371 PolarHBondContact O-N 2.85Å; S371-Q373 PolarHBondContact OG-N 3.09Å
372Y59.8Low68Low21 Ų2179.3 Ų79.38%0.08242%0.424CS..  trans-92.7-0.3171.9-65.4-94.8000112.8H14 K106 L107 S110 E370 D374H14-Y372 AromaticContact CD2-CE1 3.56Å; H14-Y372 AromaticContact CE1-CE1 3.3Å; H14-Y372 WeakPolarHBondContact CE1-CE1 3.48Å; H14-Y372 AromaticContact CE1-CZ 3.52Å; H14-Y372 PolarHBondContact CE1-OH 3.07Å; H14-Y372 VanDerWaalsContact CE1-OH 3.25Å; H14-Y372 AromaticContact CG-CE1 3.89Å; H14-Y372 AromaticContact ND1-CE1 3.75Å; H14-Y372 AromaticContact NE2-CE1 3.18Å; H14-Y372 WeakPolarHBondContact NE2-CE1 3Å; H14-Y372 AromaticContact NE2-CZ 3.7Å; H14-Y372 PolarHBondContact NE2-OH 2.68Å; K106-Y372 HydrophobicContact CB-CD2 4.36Å; L107-Y372 HydrophobicContact CB-CD1 4.38Å; L107-Y372 HydrophobicContact CB-CE1 4.26Å; L107-Y372 HydrophobicContact CD1-CD1 3.99Å; L107-Y372 HydrophobicContact CD1-CE1 3.82Å; L107-Y372 HydrophobicContact CG-CE1 4.5Å; S110-Y372 PolarHBondContact OG-O 2.93Å; E370-Y372 HydrophobicContact CB-CD2 4.39Å; E370-Y372 HydrophobicContact CB-CE2 3.68Å; E370-Y372 WeakPolarHBondContact O-CD2 3.46Å; E370-Y372 PolarHBondContact OE2-OH 3.33Å; Y372-D374 PolarHBondContact O-N 3.46Å
373Q48.9Very low67.7Low141 Ų14179.8 Ų79.866%0.65943%0.433SS*.THydrogen-bonded Turntrans-74.9121.8174.3-69.6-176.8-9.800108.4S371 A375S371-Q373 PolarHBondContact OG-N 3.09Å; Q373-A375 PolarHBondContact O-N 2.94Å
374D54.8Low67.8Low147 Ų14777.6 Ų77.679%0.78642%0.422SS*.THydrogen-bonded Turntrans61.519.2-177.6-53.7-34.5000115.9Y372Y372-D374 PolarHBondContact O-N 3.46Å
375A62.7Low68.2Low20 Ų2081.2 Ų81.217%0.16543%0.434CS..  trans-75.2135.2175.600000111.9H14 Q373 L377H14-A375 HydrophobicContact CB-CB 4.3Å; Q373-A375 PolarHBondContact O-N 2.94Å; A375-L377 PolarHBondContact O-N 2.88Å
376N77.4Confident69.1Low76 Ų7677.7 Ų77.741%0.40642%0.42SS..EExtended strand (participates in β ladder)trans-70.699.2173.1-173.919.8000110.3N13 H14 V378N13-N376 WeakPolarHBondContact CA-O 3.25Å; N13-N376 PolarHBondContact OD1-ND2 2.87Å; H14-N376 PolarHBondContact N-O 3.26Å; N376-V378 PolarHBondContact O-N 2.92Å
377L82.3Confident69.8Low10 Ų1074.5 Ų74.55%0.05240%0.403CS..EExtended strand (participates in β ladder)trans-73.9113.9178.9-58.1178.8000110.9H14 I16 L111 K114 A375H14-L377 HydrophobicContact CB-CD2 4.11Å; H14-L377 WeakPolarHBondContact O-CA 3.35Å; I16-L377 HydrophobicContact CD1-CD2 4.38Å; I16-L377 HydrophobicContact CG1-CB 4.44Å; I16-L377 HydrophobicContact CG1-CD2 4.04Å; L111-L377 HydrophobicContact CD2-CD1 3.96Å; K114-L377 HydrophobicContact CD-CB 4.04Å; K114-L377 HydrophobicContact CD-CD1 3.84Å; K114-L377 HydrophobicContact CD-CG 4.43Å; K114-L377 PolarHBondContact NZ-O 2.82Å; A375-L377 PolarHBondContact O-N 2.88Å
378V86.7Confident70.1Confident48 Ų4880.7 Ų80.729%0.29142%0.421SS..EExtended strand (participates in β ladder)trans-101.8122.8176.4-179.20000109N13 H14 V15 I16 N376N13-V378 HydrophobicContact CB-CG2 3.99Å; H14-V378 PolarHBondContact O-N 2.95Å; V15-V378 CarbonylContact C-O 3.55Å; V15-V378 WeakPolarHBondContact CA-O 3.18Å; I16-V378 PolarHBondContact N-O 3.01Å; N376-V378 PolarHBondContact O-N 2.92Å
379F89.9Confident70.3Confident61 Ų6183.8 Ų83.827%0.26843%0.426SS..EExtended strand (participates in β ladder)trans-89.5124.1179.6-62.9-53.8000111.3I16 K18 Y29 L111 K114 L115I16-F379 HydrophobicContact CB-CD1 3.77Å; I16-F379 HydrophobicContact CB-CE1 3.99Å; I16-F379 HydrophobicContact CG1-CE1 4.46Å; I16-F379 HydrophobicContact CG2-CD1 3.89Å; I16-F379 HydrophobicContact CG2-CE1 3.92Å; I16-F379 CarbonylContact O-C 3.56Å; I16-F379 WeakPolarHBondContact O-CA 3.34Å; K18-F379 HydrophobicContact CD-CB 4.24Å; Y29-F379 HydrophobicContact CD1-CD1 4.03Å; Y29-F379 AromaticContact CD1-CE1 3.89Å; Y29-F379 HydrophobicContact CD1-CE1 3.89Å; Y29-F379 AromaticContact CE1-CD1 3.94Å; Y29-F379 HydrophobicContact CE1-CD1 3.94Å; Y29-F379 AromaticContact CE1-CE1 3.87Å; Y29-F379 HydrophobicContact CE1-CE1 3.87Å; Y29-F379 HydrophobicContact CE1-CG 4.46Å; Y29-F379 HydrophobicContact CE1-CZ 4.27Å; L111-F379 HydrophobicContact CD2-CE1 3.93Å; L111-F379 HydrophobicContact CD2-CZ 4.37Å; K114-F379 HydrophobicContact CD-CE2 4.13Å; K114-F379 HydrophobicContact CD-CZ 3.87Å; K114-F379 HydrophobicContact CG-CZ 4.35Å; L115-F379 HydrophobicContact CD2-CE2 4.12Å; L115-F379 HydrophobicContact CD2-CZ 3.77Å; L115-F379 HydrophobicContact CG-CZ 4.42Å
380E90.8Very high70.1Confident80 Ų8078.1 Ų78.137%0.37441%0.408SS..EExtended strand (participates in β ladder)trans-121156.9176.1-69.4-173.9-176.700111.5V15 I16 F17 K18V15-E380 HydrophobicContact CG1-CB 3.97Å; V15-E380 VanDerWaalsContact CG1-CD 3.49Å; V15-E380 HydrophobicContact CG1-CG 3.8Å; V15-E380 WeakPolarHBondContact CG1-OE2 3.44Å; I16-E380 PolarHBondContact O-N 2.95Å; F17-E380 CarbonylContact C-O 3.6Å; F17-E380 WeakPolarHBondContact CA-O 3.05Å; F17-E380 HydrophobicContact CD1-CB 4.2Å; F17-E380 HydrophobicContact CE1-CB 4.37Å; K18-E380 PolarHBondContact N-O 3.19Å
381E89.8Confident69.6Low109 Ų10977.7 Ų77.751%0.50943%0.425SS..EExtended strand (participates in β ladder)trans-66.6144.5172.1-74.4-61136.400110.4R33 A383R33-E381 PolarHBondContact NH2-O 3.38Å; E381-A383 PolarHBondContact O-N 2.82Å
382F85.4Confident68.8Low14 Ų1483.2 Ų83.26%0.06144%0.443CS..SBendtrans-70.2-15.5179.1-169.5-91.5000113.9F17 K18 K19 L30 R33 L176 L177 I178 R384F17-F382 HydrophobicContact CB-CB 4.26Å; F17-F382 HydrophobicContact CB-CD2 3.61Å; F17-F382 HydrophobicContact CB-CE2 4.49Å; F17-F382 HydrophobicContact CB-CG 4.37Å; F17-F382 HydrophobicContact CG-CD2 4.26Å; K18-F382 PolarHBondContact O-N 3.29Å; K19-F382 HydrophobicContact CB-CB 4.49Å; L30-F382 HydrophobicContact CD1-CE2 3.99Å; R33-F382 HydrophobicContact CB-CE2 4.17Å; R33-F382 HydrophobicContact CB-CZ 4.16Å; R33-F382 HydrophobicContact CG-CD2 4.07Å; R33-F382 HydrophobicContact CG-CE2 3.65Å; R33-F382 HydrophobicContact CG-CZ 3.98Å; R33-F382 VanDerWaalsContact CZ-O 3.24Å; R33-F382 PolarHBondContact NE-O 3.2Å; R33-F382 VanDerWaalsContact NH2-C 3.35Å; R33-F382 PolarHBondContact NH2-O 2.76Å; L176-F382 HydrophobicContact CB-CD1 4.19Å; L176-F382 HydrophobicContact CB-CE1 3.89Å; L176-F382 HydrophobicContact CB-CE2 4.29Å; L176-F382 HydrophobicContact CB-CZ 3.95Å; L176-F382 HydrophobicContact CD1-CD2 4.44Å; L176-F382 HydrophobicContact CD2-CB 3.53Å; L176-F382 HydrophobicContact CD2-CD1 3.49Å; L176-F382 VanDerWaalsContact CD2-CD1 3.49Å; L176-F382 HydrophobicContact CD2-CD2 3.67Å; L176-F382 HydrophobicContact CD2-CE1 4.06Å; L176-F382 HydrophobicContact CD2-CE2 4.21Å; L176-F382 HydrophobicContact CD2-CG 3.29Å; L176-F382 HydrophobicContact CD2-CZ 4.4Å; L176-F382 HydrophobicContact CG-CD1 4.45Å; L176-F382 HydrophobicContact CG-CD2 4.48Å; L176-F382 HydrophobicContact CG-CG 4.42Å; L177-F382 VanDerWaalsContact O-CE1 3.23Å; L177-F382 WeakPolarHBondContact O-CE1 3.4Å; L177-F382 WeakPolarHBondContact O-CZ 3.31Å; I178-F382 HydrophobicContact CG2-CE2 4.33Å; I178-F382 HydrophobicContact CG2-CZ 3.86Å; F382-R384 PolarHBondContact O-N 3.1Å
383A81.4Confident67.8Low74 Ų7485.7 Ų85.761%0.61247%0.467SS*.PPolyproline II helixtrans-59.2129.9179.900000111.7R33 E381R33-A383 PolarHBondContact NH2-O 2.89Å; E381-A383 PolarHBondContact O-N 2.82Å
384R81.1Confident67.2Low30 Ų3087.2 Ų87.211%0.11348%0.475CS..PPolyproline II helixtrans-76149.9176-64.7-174.8-169-108.12110.3R33 D34 R179 H305 D307 F382R33-R384 PolarHBondContact O-NH2 3.12Å; D34-R384 IonicContact OD1-CZ 2.67Å; D34-R384 VanDerWaalsContact OD1-CZ 3.32Å; D34-R384 IonicContact OD1-NH1 3.23Å; D34-R384 PolarHBondContact OD1-NH1 2.8Å; D34-R384 IonicContact OD1-NH2 3.52Å; D34-R384 PolarHBondContact OD1-NH2 2.92Å; D34-R384 IonicContact OD2-NH1 2.76Å; R179-R384 VanDerWaalsContact NH2-NH1 3.11Å; H305-R384 WeakPolarHBondContact ND1-CD 3.49Å; D307-R384 IonicContact OD2-CZ 2.86Å; D307-R384 IonicContact OD2-NH1 3.77Å; D307-R384 PolarHBondContact OD2-NH1 3.1Å; F382-R384 PolarHBondContact O-N 3.1Å
385H79.4Confident66.2Low133 Ų13387 Ų8762%0.61647%0.469SS*.PPolyproline II helixtrans-70.9130.4174.1-67.3-65.5000110.2E306E306-H385 PolarHBondContact N-O 2.88Å
386N78.1Confident64.7Low94 Ų9488.8 Ų88.850%0.50349%0.49SS..BIsolated β-bridgetrans-82.5148172.6-67.4-29.8000109.8K304K304-N386 CarbonylContact O-C 3.52Å; K304-N386 VanDerWaalsContact O-CA 3.27Å; K304-N386 WeakPolarHBondContact O-CA 3.1Å
387L68.4Low62.6Low30 Ų3095.1 Ų95.116%0.15751%0.514CS..PPolyproline II helixtrans-62.1135.7170.2-74.3161.9000110.4I303 K304 E306 D389 A390I303-L387 WeakPolarHBondContact O-CD1 3.2Å; K304-L387 PolarHBondContact O-N 3.12Å; E306-L387 HydrophobicContact CB-CD2 4.04Å; E306-L387 HydrophobicContact CB-CG 4.29Å; E306-L387 HydrophobicContact CG-CD2 4.05Å; L387-D389 PolarHBondContact O-N 2.98Å; L387-A390 HydrophobicContact CB-CB 3.89Å; L387-A390 PolarHBondContact O-N 2.71Å
388K57.1Low60.4Low212 Ų212105.6 Ų105.692%0.92255%0.553SS**THydrogen-bonded Turntrans-62.2-24.7-179.9-66.9179.2-179.7174.80113.8
389D50.6Low58Low151 Ų151110.1 Ų110.181%0.80758%0.575SS**THydrogen-bonded Turntrans-11410.5-178.4-69.5-33000113.9L387 G391L387-D389 PolarHBondContact O-N 2.98Å; D389-G391 VanDerWaalsContact C-N 3.31Å; D389-G391 PolarHBondContact O-N 3.23Å
390A45.2Very low55.5Low40 Ų40116.3 Ų116.333%0.33160%0.602SS.*SBendtrans-74.294.4169.100000107.1K304 L387 E392K304-A390 HydrophobicContact CB-CB 4.42Å; L387-A390 HydrophobicContact CB-CB 3.89Å; L387-A390 PolarHBondContact O-N 2.71Å; A390-E392 PolarHBondContact O-N 3.45Å
391G42Very low52.7Low69 Ų69119.5 Ų119.571%0.71162%0.622SS**  trans-36133-178.200000112.1D389 A393D389-G391 VanDerWaalsContact C-N 3.31Å; D389-G391 PolarHBondContact O-N 3.23Å; G391-A393 PolarHBondContact O-N 3.13Å
392E33.9Very low50Low188 Ų188122.5 Ų122.588%0.87964%0.641SS**  trans-39.692.5-169.9-66.6178.4153.500112.7A390 E394A390-E392 PolarHBondContact O-N 3.45Å; E392-E394 VanDerWaalsContact C-N 3.27Å; E392-E394 PolarHBondContact O-N 2.89Å; E392-E394 VanDerWaalsContact O-N 3.15Å
393A39.3Very low47.7Very low72 Ų72127.8 Ų127.860%0.59567%0.674SS**  trans-77.492.4154.700000105.1G391 E395G391-A393 PolarHBondContact O-N 3.13Å; A393-E395 PolarHBondContact O-N 3.49Å
394E34.3Very low45.5Very low174 Ų174131.4 Ų131.481%0.81368%0.683SS**  trans-56.191.1165.1-81.2-153.7142.900108.8E392 G396E392-E394 VanDerWaalsContact C-N 3.27Å; E392-E394 PolarHBondContact O-N 2.89Å; E392-E394 VanDerWaalsContact O-N 3.15Å; E394-G396 PolarHBondContact O-N 2.68Å
395E35.1Very low43.2Very low141 Ų141143.1 Ų143.166%0.65974%0.739SS**  trans-71.796.9143.8-91.9171.8-168.200104.7K304 A393 K397K304-E395 IonicContact NZ-OE1 3.93Å; K304-E395 PolarHBondContact NZ-OE1 2.89Å; K304-E395 IonicContact NZ-OE2 3.84Å; K304-E395 PolarHBondContact NZ-OE2 3.31Å; A393-E395 PolarHBondContact O-N 3.49Å; E395-K397 PolarHBondContact O-N 3.18Å
396G30.9Very low41.4Very low59 Ų59143.7 Ų143.761%0.60875%0.746SS**  trans-45.9111.4-176.900000111.6E394 R398E394-G396 PolarHBondContact O-N 2.68Å; G396-R398 PolarHBondContact O-N 2.92Å
397K33.4Very low39.5Very low209 Ų209146.3 Ų146.391%0.90976%0.758SS**  trans-65.684.9155.8-86.5177.7174.1170.20107.6E395E395-K397 PolarHBondContact O-N 3.18Å
398R35.6Very low37.9Very low230 Ų230152.7 Ų152.787%0.86879%0.792SS**  trans-131.673.7158.9-72.2-169.7-168.6172.15.3109G396G396-R398 PolarHBondContact O-N 2.92Å
399D36.5Very low36.8Very low143 Ų143149.2 Ų149.277%0.76578%0.784SS**  trans-136.158.1153.2-89.6-23.3000106.4
400K36.7Very low35.9Very low190 Ų190149.1 Ų149.183%0.82678%0.783SS**SBendtrans-148.399.8161.9-86-165.1177.3-1780106.7
401N33.5Very low35.3Very low148 Ų148156.4 Ų156.479%0.79181%0.813SS**  trans134.678.8159.2-68.3-2.1000108.8
402D33.2Very low34.8Very low172 Ų172162.6 Ų162.692%0.9282%0.82SS**  trans-141.475.6142.2-83.6-32.4000105.5
403V36.5Very low34.9Very low124 Ų124160.7 Ų160.775%0.75282%0.816SS**  trans-127126.3158179.20000104
404D35.6Very low34.5Very low151 Ų151168.1 Ų168.181%0.80783%0.834SS**  trans84.285.8174.5-52.4-29.1000117.3
405E32.7Very low34.5Very low276 Ų276167.5 Ų167.5100%1.2984%0.836SS**  -159.20107-105.6-177.3174.500112.1

Retrieved 405 of 405 residues in 220.4 ms (Link to these results)