A0A060X2I7_ONCMY Loading...

VPS26, retromer complex component B

AlphaFold DB (A0A4W5QRU6), UniProt , Accession A0A060X2I7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110503967, Length 333 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.2Very low63.6Low222 Ų222107.9 Ų107.9100%1.09457%0.572SS**  01020-72-70.4-112.200107.7F3M1-F3 PolarHBondContact O-N 3.29Å; M1-F3 VanDerWaalsContact O-N 3.16Å
2S35.3Very low66.4Low104 Ų10499.8 Ų99.873%0.72753%0.528SS*.  trans-73104.6-179.6-1610000108.9F4S2-F4 VanDerWaalsContact C-N 3.3Å; S2-F4 PolarHBondContact O-N 3.42Å
3F40.1Very low68.9Low193 Ų19398.2 Ų98.285%0.84652%0.52SS*.  trans-74.784172.7-92.7-94.7000108.7M1 S5M1-F3 PolarHBondContact O-N 3.29Å; M1-F3 VanDerWaalsContact O-N 3.16Å; F3-S5 PolarHBondContact O-N 3.31Å
4F43.7Very low71Confident169 Ų16991.9 Ų91.974%0.74149%0.487SS*.  trans-68.785.9159.2-84.2-86.7000108S2 F6S2-F4 VanDerWaalsContact C-N 3.3Å; S2-F4 PolarHBondContact O-N 3.42Å; F4-F6 PolarHBondContact O-N 3.27Å
5S45.3Very low72.8Confident97 Ų9789.5 Ų89.568%0.67848%0.477SS*.  trans-64102.1165.5-178.90000107.5F3 G7F3-S5 PolarHBondContact O-N 3.31Å; S5-G7 PolarHBondContact O-N 3.44Å
6F60.5Low74.4Confident174 Ų17484.1 Ų84.176%0.76345%0.449SS*.  trans-59110.2168.9-84.3-96000107.8F4F4-F6 PolarHBondContact O-N 3.27Å
7G72.2Confident75.7Confident50 Ų5085.4 Ų85.452%0.51546%0.46SS..  trans-61.9165.9175.900000111.9S5S5-G7 PolarHBondContact O-N 3.44Å
8Q85.4Confident76.7Confident16 Ų1683.5 Ų83.58%0.07545%0.45CS..  trans-62.5141.1177.3-172.665.6-15.200111.3N56 K59 R60 L61 R136Q8-N56 PolarHBondContact NE2-O 2.88Å; Q8-N56 PolarHBondContact OE1-ND2 3.11Å; Q8-N56 PolarHBondContact OE1-O 2.8Å; Q8-K59 HydrophobicContact CB-CB 4.28Å; Q8-K59 HydrophobicContact CG-CB 4.22Å; Q8-K59 PolarHBondContact NE2-O 2.9Å; Q8-R60 VanDerWaalsContact CB-O 3.26Å; Q8-R60 WeakPolarHBondContact CB-O 3.45Å; Q8-R60 WeakPolarHBondContact CG-O 3.43Å; Q8-L61 HydrophobicContact CB-CD1 4.46Å; Q8-L61 HydrophobicContact CG-CB 3.8Å; Q8-L61 HydrophobicContact CG-CD1 4.27Å; Q8-R136 PolarHBondContact O-NH2 3.01Å; Q8-R136 VanDerWaalsContact O-NH2 3.16Å
9S90.2Very high77.7Confident34 Ų3480.6 Ų80.624%0.23844%0.439CS..  trans-141.9163.8177.9-178.70000109.2K55S9-K55 PolarHBondContact O-N 3.04Å
10A94.1Very high78.5Confident3 Ų386.4 Ų86.43%0.02546%0.463CS..EExtended strand (participates in β ladder)trans-128.8157.3176.200000110.7V52 T53 L54 L61 I141A10-V52 HydrophobicContact CB-CG1 3.67Å; A10-T53 CarbonylContact C-O 3.48Å; A10-T53 WeakPolarHBondContact CA-O 3.29Å; A10-T53 WeakPolarHBondContact CB-O 3.45Å; A10-L54 HydrophobicContact CB-CD2 4.33Å; A10-L61 HydrophobicContact CB-CD2 3.76Å; A10-I141 HydrophobicContact CB-CD1 4.37Å
11E96.3Very high79.3Confident125 Ų12587.9 Ų87.958%0.58448%0.475SS*.EExtended strand (participates in β ladder)trans-103.1137.4163.8-177.6169.1-171.400108.6T53E11-T53 PolarHBondContact N-O 3.33Å; E11-T53 PolarHBondContact O-N 3Å
12I98Very high82.1Confident10 Ų1079 Ų795%0.05143%0.429CS..EExtended strand (participates in β ladder)trans-112.9130.8-179.8-57.1174.8000108V50 N51 A132 V134 I141 K143I12-V50 HydrophobicContact CG2-CG1 3.91Å; I12-N51 WeakPolarHBondContact CA-O 3.36Å; I12-A132 HydrophobicContact CG2-CB 3.55Å; I12-V134 HydrophobicContact CD1-CB 4.4Å; I12-V134 HydrophobicContact CD1-CG2 3.76Å; I12-V134 HydrophobicContact CG1-CG2 4.32Å; I12-I141 HydrophobicContact CD1-CB 4.21Å; I12-I141 HydrophobicContact CD1-CG2 3.75Å; I12-I141 VanDerWaalsContact CD1-O 3.22Å; I12-I141 WeakPolarHBondContact CD1-O 3.37Å; I12-I141 HydrophobicContact CG1-CG2 4.13Å; I12-K143 HydrophobicContact CB-CB 3.82Å; I12-K143 HydrophobicContact CG2-CB 3.86Å
13D97.8Very high85Confident80 Ų8079.6 Ų79.643%0.42842%0.419SS..EExtended strand (participates in β ladder)trans-127.6139.8172.3179.846.9000110V15 N51D13-V15 WeakPolarHBondContact OD2-CG2 3.34Å; D13-N51 HydrophobicContact CB-CB 4.27Å; D13-N51 PolarHBondContact N-O 3.14Å; D13-N51 PolarHBondContact O-N 2.78Å
14V98.3Very high87.7Confident9 Ų976.1 Ų76.16%0.05540%0.404CS..EExtended strand (participates in β ladder)trans-119.3117.8-177.9-176.90000108V50 F107 L130 A132 M145V14-V50 HydrophobicContact CG2-CG2 4.48Å; V14-F107 HydrophobicContact CG1-CE1 4.05Å; V14-F107 HydrophobicContact CG1-CZ 4.21Å; V14-L130 HydrophobicContact CG1-CB 4.4Å; V14-L130 HydrophobicContact CG1-CD1 4.13Å; V14-A132 HydrophobicContact CG2-CB 3.75Å; V14-M145 HydrophobicContact CB-CE 4.3Å; V14-M145 HydrophobicContact CB-SD 4.48Å; V14-M145 HydrophobicContact CG1-CE 3.73Å; V14-M145 VanDerWaalsContact O-SD 3.42Å
15V98.1Very high90.2Very high56 Ų5668.5 Ų68.534%0.33937%0.372SS..EExtended strand (participates in β ladder)trans-120.7122.9-175.7-175.10000109.4D13 A19 G48 K49D13-V15 WeakPolarHBondContact OD2-CG2 3.34Å; V15-A19 HydrophobicContact CG1-CB 4.46Å; V15-G48 CarbonylContact O-C 3.08Å; V15-G48 WeakPolarHBondContact O-CA 3.46Å; V15-K49 PolarHBondContact N-O 3.39Å; V15-K49 PolarHBondContact O-N 2.59Å
16L98.3Very high92.6Very high4 Ų469.5 Ų69.52%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-72.2145.4174.8-60.7176.6000110.9D18 A19 F38 F40 V46 A47 L130 M145L16-D18 PolarHBondContact O-N 3.36Å; L16-D18 VanDerWaalsContact O-N 3.14Å; L16-A19 HydrophobicContact CB-CB 4.29Å; L16-A19 WeakPolarHBondContact O-CB 3.31Å; L16-A19 PolarHBondContact O-N 3.11Å; L16-F38 HydrophobicContact CD1-CB 3.86Å; L16-F38 HydrophobicContact CD1-CD1 4.12Å; L16-F38 HydrophobicContact CD1-CD2 3.48Å; L16-F38 VanDerWaalsContact CD1-CD2 3.48Å; L16-F38 HydrophobicContact CD1-CE2 3.99Å; L16-F38 HydrophobicContact CD1-CG 3.55Å; L16-F38 HydrophobicContact CG-CD2 4.42Å; L16-F40 HydrophobicContact CD1-CE2 3.87Å; L16-F40 HydrophobicContact CD1-CZ 3.87Å; L16-F40 HydrophobicContact CD2-CZ 4.45Å; L16-V46 HydrophobicContact CD2-CG1 4.33Å; L16-A47 WeakPolarHBondContact CA-O 3.46Å; L16-L130 HydrophobicContact CD2-CD1 3.78Å; L16-M145 HydrophobicContact CD1-CE 4.28Å; L16-M145 HydrophobicContact CD2-CE 3.74Å; L16-M145 HydrophobicContact CG-CE 3.77Å
17T97.2Very high94.3Very high105 Ų10563 Ų6364%0.64434%0.338SS*.THydrogen-bonded Turntrans-54.8-36.9-177.7-57.90000113A47 G48T17-A47 PolarHBondContact N-O 3.26Å; T17-A47 PolarHBondContact OG1-O 2.78Å; T17-G48 WeakPolarHBondContact OG1-CA 3.34Å; T17-G48 PolarHBondContact OG1-N 2.76Å
18D94.3Very high95.3Very high52 Ų5265.6 Ų65.628%0.27834%0.335SS..THydrogen-bonded Turntrans-117.133.6-177.156.9-49.2000112.3L16 E20 T21 R22L16-D18 PolarHBondContact O-N 3.36Å; L16-D18 VanDerWaalsContact O-N 3.14Å; D18-E20 PolarHBondContact O-N 3.37Å; D18-E20 VanDerWaalsContact O-N 3.09Å; D18-T21 PolarHBondContact O-N 3.4Å; D18-T21 VanDerWaalsContact O-N 3.07Å; D18-T21 PolarHBondContact O-OG1 3.25Å; D18-R22 WeakPolarHBondContact O-CB 3.27Å; D18-R22 PolarHBondContact O-N 2.73Å; D18-R22 IonicContact OD1-CZ 3.97Å; D18-R22 IonicContact OD1-NH1 3.47Å; D18-R22 PolarHBondContact OD1-NH1 3.43Å; D18-R22 IonicContact OD1-NH2 3.72Å; D18-R22 PolarHBondContact OD1-NH2 3.06Å; D18-R22 IonicContact OD2-CZ 2.98Å; D18-R22 IonicContact OD2-NE 3.46Å; D18-R22 PolarHBondContact OD2-NE 3.3Å; D18-R22 IonicContact OD2-NH1 2.65Å; D18-R22 PolarHBondContact OD2-NH1 3.28Å; D18-R22 VanDerWaalsContact OD2-NH1 3.15Å; D18-R22 IonicContact OD2-NH2 3.49Å; D18-R22 PolarHBondContact OD2-NH2 3.33Å
19A94.5Very high95.6Very high29 Ų2965.9 Ų65.924%0.2434%0.338CS..THydrogen-bonded Turntrans-52.8-30179.900000114.8V15 L16 F38V15-A19 HydrophobicContact CG1-CB 4.46Å; L16-A19 HydrophobicContact CB-CB 4.29Å; L16-A19 WeakPolarHBondContact O-CB 3.31Å; L16-A19 PolarHBondContact O-N 3.11Å; A19-F38 HydrophobicContact CB-CE1 4.2Å; A19-F38 HydrophobicContact CB-CZ 3.85Å; A19-F38 VanDerWaalsContact O-CE1 3.3Å; A19-F38 WeakPolarHBondContact O-CE1 3.35Å
20E93.8Very high95.6Very high196 Ų19668.8 Ų68.892%0.91635%0.347SS*.THydrogen-bonded Turntrans-79-29.2179.9-62.9-172.2167.600113.4D18D18-E20 PolarHBondContact O-N 3.37Å; D18-E20 VanDerWaalsContact O-N 3.09Å
21T95.4Very high95.4Very high117 Ų11773.3 Ų73.372%0.71837%0.371SS*.THydrogen-bonded Turntrans-106.7-22.1-173.4630000113.1D18 K23D18-T21 PolarHBondContact O-N 3.4Å; D18-T21 VanDerWaalsContact O-N 3.07Å; D18-T21 PolarHBondContact O-OG1 3.25Å; T21-K23 PolarHBondContact O-N 3.44Å
22R95.5Very high95Very high36 Ų3669.2 Ų69.214%0.13636%0.363CS..SBendtrans-64134-179.8-178.2166.6-75.8108.71.2111D18 F38 F40D18-R22 WeakPolarHBondContact O-CB 3.27Å; D18-R22 PolarHBondContact O-N 2.73Å; D18-R22 IonicContact OD1-CZ 3.97Å; D18-R22 IonicContact OD1-NH1 3.47Å; D18-R22 PolarHBondContact OD1-NH1 3.43Å; D18-R22 IonicContact OD1-NH2 3.72Å; D18-R22 PolarHBondContact OD1-NH2 3.06Å; D18-R22 IonicContact OD2-CZ 2.98Å; D18-R22 IonicContact OD2-NE 3.46Å; D18-R22 PolarHBondContact OD2-NE 3.3Å; D18-R22 IonicContact OD2-NH1 2.65Å; D18-R22 PolarHBondContact OD2-NH1 3.28Å; D18-R22 VanDerWaalsContact OD2-NH1 3.15Å; D18-R22 IonicContact OD2-NH2 3.49Å; D18-R22 PolarHBondContact OD2-NH2 3.33Å; R22-F38 HydrophobicContact CB-CD1 4.19Å; R22-F38 HydrophobicContact CG-CD1 4.23Å; R22-F40 VanDerWaalsContact CZ-CZ 3.45Å
23K96.4Very high94.7Very high117 Ų11774.8 Ų74.851%0.50939%0.387SS..  trans-56.7143.5174.4-71.4-173.8176.2-176.80110.5T21 L39 D297T21-K23 PolarHBondContact O-N 3.44Å; K23-L39 HydrophobicContact CB-CB 4.41Å; K23-L39 HydrophobicContact CB-CD2 4.45Å; K23-L39 WeakPolarHBondContact O-CB 3.5Å; K23-L39 PolarHBondContact O-N 2.88Å; K23-D297 IonicContact NZ-OD2 3.74Å; K23-D297 PolarHBondContact NZ-OD2 2.92Å
24K96.6Very high94.5Very high120 Ų12075.2 Ų75.252%0.52239%0.385SS..EExtended strand (participates in β ladder)trans-111.5143.2169.9-64.6-176.9-179.1-177.10110.2K36 Y37 F38K24-K36 HydrophobicContact CB-CB 4.37Å; K24-K36 HydrophobicContact CD-CB 4.44Å; K24-Y37 CarbonylContact C-O 3.55Å; K24-Y37 WeakPolarHBondContact CA-O 3.43Å; K24-Y37 WeakPolarHBondContact CB-O 3.45Å; K24-F38 HydrophobicContact CD-CE1 4.49Å; K24-F38 HydrophobicContact CG-CD1 4.11Å; K24-F38 HydrophobicContact CG-CE1 4.38Å
25A95.8Very high94.3Very high9 Ų978.5 Ų78.57%0.07440%0.402CS..EExtended strand (participates in β ladder)trans-111.5142.8172.700000109.6K36 Y37 L39 V148A25-K36 WeakPolarHBondContact O-CA 3.08Å; A25-Y37 PolarHBondContact N-O 2.74Å; A25-Y37 PolarHBondContact O-N 3.1Å; A25-L39 HydrophobicContact CB-CB 4.11Å; A25-L39 HydrophobicContact CB-CD1 4.09Å; A25-L39 HydrophobicContact CB-CD2 4.37Å; A25-L39 HydrophobicContact CB-CG 4.42Å; A25-V148 HydrophobicContact CB-CB 4.47Å; A25-V148 HydrophobicContact CB-CG1 4.11Å
26E95.8Very high94.3Very high117 Ų11783.3 Ų83.355%0.54742%0.418SS..EExtended strand (participates in β ladder)trans-79.2130.7169.4-171.8174.7-173.200108.7K34 D35E26-K34 HydrophobicContact CG-CB 3.8Å; E26-K34 HydrophobicContact CG-CD 4.06Å; E26-K34 HydrophobicContact CG-CG 4.42Å; E26-K34 VanDerWaalsContact OE1-CB 3.27Å; E26-K34 WeakPolarHBondContact OE1-CB 3.29Å; E26-K34 WeakPolarHBondContact OE1-CD 3.4Å; E26-D35 WeakPolarHBondContact CA-O 3.31Å
27H95.9Very high94.2Very high39 Ų3985.2 Ų85.218%0.18143%0.425CS..EExtended strand (participates in β ladder)trans-137.9138.7-179.2-170.675000110.2D35 Y37 T120 V148H27-D35 PolarHBondContact N-O 3.47Å; H27-D35 PolarHBondContact O-N 2.97Å; H27-D35 VanDerWaalsContact O-N 3.12Å; H27-Y37 HydrophobicContact CB-CD2 3.76Å; H27-Y37 HydrophobicContact CB-CE2 3.96Å; H27-T120 PolarHBondContact NE2-OG1 3.43Å; H27-V148 HydrophobicContact CB-CG2 3.63Å
28K94.1Very high94.3Very high104 Ų10481.6 Ų81.645%0.45240%0.401SS..EExtended strand (participates in β ladder)trans-80.2127.4179.8-170.6177178.7178.80110K33 T120K28-K33 CarbonylContact C-O 3.46Å; K28-K33 VanDerWaalsContact CA-O 3.31Å; K28-K33 WeakPolarHBondContact CA-O 3.37Å; K28-T120 WeakPolarHBondContact O-CB 3.1Å; K28-T120 PolarHBondContact O-OG1 2.78Å
29T91.3Very high94.5Very high22 Ų2279.9 Ų79.914%0.13539%0.391CS..  trans-87.4169.3176.548.80000111.3D31 G32 K33 D35 Y37T29-D31 VanDerWaalsContact CB-OD1 3.27Å; T29-D31 WeakPolarHBondContact CB-OD1 3.47Å; T29-D31 PolarHBondContact O-N 3.39Å; T29-D31 PolarHBondContact OG1-OD1 3.13Å; T29-G32 PolarHBondContact O-N 3.39Å; T29-K33 PolarHBondContact N-O 2.82Å; T29-K33 PolarHBondContact OG1-N 2.71Å; T29-K33 PolarHBondContact OG1-O 2.88Å; T29-D35 HydrophobicContact CG2-CB 4.47Å; T29-Y37 HydrophobicContact CG2-CE2 4.43Å; T29-Y37 WeakPolarHBondContact CG2-OH 3.39Å
30E90Very high94.7Very high95 Ų9578.5 Ų78.544%0.44438%0.38SS..THydrogen-bonded Turntrans-61.6-30.9-179.2-70.1176-142.800113.5G32 Y77 T120 K125E30-G32 PolarHBondContact O-N 2.96Å; E30-Y77 WeakPolarHBondContact CG-OH 3.43Å; E30-T120 HydrophobicContact CG-CG2 4.02Å; E30-K125 HydrophobicContact CG-CD 4.3Å; E30-K125 WeakPolarHBondContact OE1-CD 3.24Å; E30-K125 WeakPolarHBondContact OE1-CE 2.92Å; E30-K125 IonicContact OE1-NZ 2.86Å; E30-K125 PolarHBondContact OE1-NZ 3.45Å
31D89.9Confident94.8Very high97 Ų9771.6 Ų71.652%0.51935%0.346SS..THydrogen-bonded Turntrans-79.65.5175.568.7-24000112.9T29 K33T29-D31 VanDerWaalsContact CB-OD1 3.27Å; T29-D31 WeakPolarHBondContact CB-OD1 3.47Å; T29-D31 PolarHBondContact O-N 3.39Å; T29-D31 PolarHBondContact OG1-OD1 3.13Å; D31-K33 VanDerWaalsContact C-N 3.26Å; D31-K33 PolarHBondContact O-N 2.86Å; D31-K33 PolarHBondContact OD1-N 2.87Å; D31-K33 VanDerWaalsContact OD2-CD 3.29Å; D31-K33 WeakPolarHBondContact OD2-CD 3.33Å; D31-K33 VanDerWaalsContact OD2-CE 3.31Å; D31-K33 WeakPolarHBondContact OD2-CE 3.37Å; D31-K33 WeakPolarHBondContact OD2-CG 3.45Å; D31-K33 IonicContact OD2-NZ 3.05Å; D31-K33 PolarHBondContact OD2-NZ 3.2Å
32G88.3Confident94.9Very high40 Ų4070.6 Ų70.641%0.41234%0.336SS..SBendtrans80.5-0.6177.100000114.7T29 E30T29-G32 PolarHBondContact O-N 3.39Å; E30-G32 PolarHBondContact O-N 2.96Å
33K92.2Very high94.9Very high127 Ų12770.7 Ų70.755%0.55235%0.348SS*.  trans-74.4165174.2-64.1-174.1-167.6122.90111K28 T29 D31K28-K33 CarbonylContact C-O 3.46Å; K28-K33 VanDerWaalsContact CA-O 3.31Å; K28-K33 WeakPolarHBondContact CA-O 3.37Å; T29-K33 PolarHBondContact N-O 2.82Å; T29-K33 PolarHBondContact OG1-N 2.71Å; T29-K33 PolarHBondContact OG1-O 2.88Å; D31-K33 VanDerWaalsContact C-N 3.26Å; D31-K33 PolarHBondContact O-N 2.86Å; D31-K33 PolarHBondContact OD1-N 2.87Å; D31-K33 VanDerWaalsContact OD2-CD 3.29Å; D31-K33 WeakPolarHBondContact OD2-CD 3.33Å; D31-K33 VanDerWaalsContact OD2-CE 3.31Å; D31-K33 WeakPolarHBondContact OD2-CE 3.37Å; D31-K33 WeakPolarHBondContact OD2-CG 3.45Å; D31-K33 IonicContact OD2-NZ 3.05Å; D31-K33 PolarHBondContact OD2-NZ 3.2Å
34K92.9Very high94.9Very high89 Ų8968.4 Ų68.439%0.38734%0.339SS..EExtended strand (participates in β ladder)trans-119.6116.3175.9-65.6-172.1-172.8175.30109.5E26 E254E26-K34 HydrophobicContact CG-CB 3.8Å; E26-K34 HydrophobicContact CG-CD 4.06Å; E26-K34 HydrophobicContact CG-CG 4.42Å; E26-K34 VanDerWaalsContact OE1-CB 3.27Å; E26-K34 WeakPolarHBondContact OE1-CB 3.29Å; E26-K34 WeakPolarHBondContact OE1-CD 3.4Å; K34-E254 WeakPolarHBondContact CE-OE1 3.43Å; K34-E254 WeakPolarHBondContact CE-OE2 3.48Å; K34-E254 IonicContact NZ-OE1 3.23Å; K34-E254 PolarHBondContact NZ-OE1 3.25Å; K34-E254 IonicContact NZ-OE2 2.78Å
35D95.3Very high95Very high77 Ų7765.2 Ų65.241%0.41233%0.33SS..EExtended strand (participates in β ladder)trans-114.8161179.1-74.5-28.8000110.5E26 H27 T29 Y37E26-D35 WeakPolarHBondContact CA-O 3.31Å; H27-D35 PolarHBondContact N-O 3.47Å; H27-D35 PolarHBondContact O-N 2.97Å; H27-D35 VanDerWaalsContact O-N 3.12Å; T29-D35 HydrophobicContact CG2-CB 4.47Å; D35-Y37 HydrophobicContact CB-CD2 4.44Å; D35-Y37 HydrophobicContact CB-CE2 3.58Å
36K96.4Very high95.1Very high157 Ų15764.8 Ų64.868%0.68333%0.326SS*.EExtended strand (participates in β ladder)trans-103.2120.5179.6-70.1-177-178.9177.80110.6K24 A25K24-K36 HydrophobicContact CB-CB 4.37Å; K24-K36 HydrophobicContact CD-CB 4.44Å; A25-K36 WeakPolarHBondContact O-CA 3.08Å
37Y97.8Very high95.3Very high44 Ų4460 Ų6017%0.17331%0.306CS..EExtended strand (participates in β ladder)trans-117157.3179.4-58-87.6000110.9K24 A25 H27 T29 D35 L39 D146 V148K24-Y37 CarbonylContact C-O 3.55Å; K24-Y37 WeakPolarHBondContact CA-O 3.43Å; K24-Y37 WeakPolarHBondContact CB-O 3.45Å; A25-Y37 PolarHBondContact N-O 2.74Å; A25-Y37 PolarHBondContact O-N 3.1Å; H27-Y37 HydrophobicContact CB-CD2 3.76Å; H27-Y37 HydrophobicContact CB-CE2 3.96Å; T29-Y37 HydrophobicContact CG2-CE2 4.43Å; T29-Y37 WeakPolarHBondContact CG2-OH 3.39Å; D35-Y37 HydrophobicContact CB-CD2 4.44Å; D35-Y37 HydrophobicContact CB-CE2 3.58Å; Y37-L39 PolarHBondContact O-N 2.98Å; Y37-D146 HydrophobicContact CD1-CB 3.73Å; Y37-D146 HydrophobicContact CE1-CB 3.71Å; Y37-V148 HydrophobicContact CD2-CG2 3.84Å; Y37-V148 HydrophobicContact CG-CG2 3.9Å
38F98.4Very high95.4Very high30 Ų3058.2 Ų58.213%0.13230%0.299CS..EExtended strand (participates in β ladder)trans-63.4130.8172-66.8-68000110.4L16 A19 R22 K24 F40 M145 I147 V148L16-F38 HydrophobicContact CD1-CB 3.86Å; L16-F38 HydrophobicContact CD1-CD1 4.12Å; L16-F38 HydrophobicContact CD1-CD2 3.48Å; L16-F38 VanDerWaalsContact CD1-CD2 3.48Å; L16-F38 HydrophobicContact CD1-CE2 3.99Å; L16-F38 HydrophobicContact CD1-CG 3.55Å; L16-F38 HydrophobicContact CG-CD2 4.42Å; A19-F38 HydrophobicContact CB-CE1 4.2Å; A19-F38 HydrophobicContact CB-CZ 3.85Å; A19-F38 VanDerWaalsContact O-CE1 3.3Å; A19-F38 WeakPolarHBondContact O-CE1 3.35Å; R22-F38 HydrophobicContact CB-CD1 4.19Å; R22-F38 HydrophobicContact CG-CD1 4.23Å; K24-F38 HydrophobicContact CD-CE1 4.49Å; K24-F38 HydrophobicContact CG-CD1 4.11Å; K24-F38 HydrophobicContact CG-CE1 4.38Å; F38-F40 HydrophobicContact CB-CD2 4.43Å; F38-F40 HydrophobicContact CB-CE2 3.95Å; F38-M145 HydrophobicContact CD2-SD 4.47Å; F38-M145 HydrophobicContact CE2-SD 4.36Å; F38-I147 HydrophobicContact CB-CG2 4.37Å; F38-V148 PolarHBondContact O-N 2.91Å
39L98.1Very high95.6Very high15 Ų1557.7 Ų57.78%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-92.5130.2-179.1177.161.5000110.3K23 A25 Y37 Y41 V148 H150K23-L39 HydrophobicContact CB-CB 4.41Å; K23-L39 HydrophobicContact CB-CD2 4.45Å; K23-L39 WeakPolarHBondContact O-CB 3.5Å; K23-L39 PolarHBondContact O-N 2.88Å; A25-L39 HydrophobicContact CB-CB 4.11Å; A25-L39 HydrophobicContact CB-CD1 4.09Å; A25-L39 HydrophobicContact CB-CD2 4.37Å; A25-L39 HydrophobicContact CB-CG 4.42Å; Y37-L39 PolarHBondContact O-N 2.98Å; L39-Y41 HydrophobicContact CD2-CE2 4.13Å; L39-Y41 WeakPolarHBondContact CD2-OH 3.38Å; L39-Y41 HydrophobicContact CG-CE2 4.19Å; L39-V148 CarbonylContact C-O 3.56Å; L39-V148 WeakPolarHBondContact CA-O 3.13Å; L39-V148 HydrophobicContact CD1-CG1 4.32Å; L39-H150 HydrophobicContact CD1-CB 3.91Å; L39-H150 WeakPolarHBondContact CD1-ND1 3.37Å
40F98Very high96Very high0 Ų056.7 Ų56.70%029%0.291CS..EExtended strand (participates in β ladder)trans-125.9160173.1-75.8-94000111.2L16 R22 F38 E44 V46 K114 I147 V148 V149 H150L16-F40 HydrophobicContact CD1-CE2 3.87Å; L16-F40 HydrophobicContact CD1-CZ 3.87Å; L16-F40 HydrophobicContact CD2-CZ 4.45Å; R22-F40 VanDerWaalsContact CZ-CZ 3.45Å; F38-F40 HydrophobicContact CB-CD2 4.43Å; F38-F40 HydrophobicContact CB-CE2 3.95Å; F40-E44 HydrophobicContact CD1-CB 4.18Å; F40-V46 HydrophobicContact CD1-CG2 4.09Å; F40-V46 HydrophobicContact CE1-CB 4.45Å; F40-V46 HydrophobicContact CE1-CG1 4.5Å; F40-V46 HydrophobicContact CE1-CG2 3.84Å; F40-V46 HydrophobicContact CZ-CG1 4.31Å; F40-V46 HydrophobicContact CZ-CG2 4.38Å; F40-K114 HydrophobicContact CB-CD 4.13Å; F40-I147 HydrophobicContact CB-CD1 4.4Å; F40-I147 HydrophobicContact CD2-CB 4.02Å; F40-I147 HydrophobicContact CD2-CD1 3.67Å; F40-I147 HydrophobicContact CD2-CG1 4.41Å; F40-I147 HydrophobicContact CD2-CG2 4.2Å; F40-I147 HydrophobicContact CE2-CB 4.28Å; F40-I147 HydrophobicContact CE2-CD1 4.14Å; F40-I147 HydrophobicContact CE2-CG2 3.95Å; F40-I147 HydrophobicContact CG-CD1 4.13Å; F40-V148 PolarHBondContact N-O 3.32Å; F40-V149 HydrophobicContact CB-CG2 4.48Å; F40-V149 WeakPolarHBondContact O-CA 3.32Å; F40-H150 PolarHBondContact O-N 3.33Å
41Y97.7Very high96.4Very high52 Ų5254 Ų5420%0.20428%0.279CS..  trans-121166.2170.7-60.9-83.6000110.4L39 E44 K114 H150 L152L39-Y41 HydrophobicContact CD2-CE2 4.13Å; L39-Y41 WeakPolarHBondContact CD2-OH 3.38Å; L39-Y41 HydrophobicContact CG-CE2 4.19Å; Y41-E44 VanDerWaalsContact CD2-OE1 3.26Å; Y41-E44 WeakPolarHBondContact CD2-OE1 3.15Å; Y41-E44 WeakPolarHBondContact O-CB 3.25Å; Y41-E44 PolarHBondContact O-N 2.91Å; Y41-K114 PolarHBondContact O-NZ 2.88Å; Y41-H150 HydrophobicContact CD1-CB 4.23Å; Y41-H150 VanDerWaalsContact CD1-O 3.28Å; Y41-H150 WeakPolarHBondContact CD1-O 3.32Å; Y41-H150 HydrophobicContact CE1-CB 3.77Å; Y41-L152 HydrophobicContact CD1-CD1 3.99Å; Y41-L152 HydrophobicContact CD1-CD2 4.44Å; Y41-L152 HydrophobicContact CD1-CG 3.83Å; Y41-L152 HydrophobicContact CE1-CD1 3.65Å; Y41-L152 HydrophobicContact CE1-CD2 3.69Å; Y41-L152 HydrophobicContact CE1-CG 3.52Å
42D96.8Very high96.7Very high96 Ų9649.3 Ų49.351%0.51325%0.254SS..THydrogen-bonded Turntrans-58.3143.7177.7-169.224.1000112E44 E113 K114D42-E44 PolarHBondContact O-N 2.93Å; D42-E44 VanDerWaalsContact O-N 3.11Å; D42-E113 WeakPolarHBondContact OD1-CA 3.44Å; D42-K114 PolarHBondContact OD1-N 2.91Å
43G95Very high97.1Very high37 Ų3750.6 Ų50.638%0.38125%0.254SS..THydrogen-bonded Turntrans74.2-15.4-176.800000116H111 V112G43-H111 WeakPolarHBondContact O-CA 3.43Å; G43-V112 WeakPolarHBondContact CA-O 3.45Å; G43-V112 PolarHBondContact N-O 2.94Å; G43-V112 VanDerWaalsContact N-O 3.11Å
44E97.5Very high97.3Very high70 Ų7045 Ų4533%0.32723%0.23SC..  trans-62.1142.5179.8-70-166.5-169.400113.1F40 Y41 D42 K114F40-E44 HydrophobicContact CD1-CB 4.18Å; Y41-E44 VanDerWaalsContact CD2-OE1 3.26Å; Y41-E44 WeakPolarHBondContact CD2-OE1 3.15Å; Y41-E44 WeakPolarHBondContact O-CB 3.25Å; Y41-E44 PolarHBondContact O-N 2.91Å; D42-E44 PolarHBondContact O-N 2.93Å; D42-E44 VanDerWaalsContact O-N 3.11Å; E44-K114 PolarHBondContact O-NZ 2.92Å
45T98.1Very high97.3Very high52 Ų5246.9 Ų46.932%0.31924%0.238SC..  trans-71.1137.3173.8-66.60000110.4A47 E108 F109 T110T45-A47 HydrophobicContact CG2-CB 4.24Å; T45-E108 HydrophobicContact CG2-CG 3.88Å; T45-F109 CarbonylContact C-O 3.55Å; T45-F109 VanDerWaalsContact CA-O 3.31Å; T45-F109 WeakPolarHBondContact CA-O 3.48Å; T45-F109 WeakPolarHBondContact CG2-O 3.49Å; T45-T110 HydrophobicContact CG2-CG2 4.24Å
46V98.5Very high97.1Very high0 Ų046.2 Ų46.20%024%0.235CC..EExtended strand (participates in β ladder)trans-113.7107174.9-173.50000108.1L16 F40 F70 F107 F109 V112 L130L16-V46 HydrophobicContact CD2-CG1 4.33Å; F40-V46 HydrophobicContact CD1-CG2 4.09Å; F40-V46 HydrophobicContact CE1-CB 4.45Å; F40-V46 HydrophobicContact CE1-CG1 4.5Å; F40-V46 HydrophobicContact CE1-CG2 3.84Å; F40-V46 HydrophobicContact CZ-CG1 4.31Å; F40-V46 HydrophobicContact CZ-CG2 4.38Å; V46-F70 HydrophobicContact CB-CD2 4.38Å; V46-F70 HydrophobicContact CG1-CD2 4.26Å; V46-F70 HydrophobicContact CG2-CD2 4.1Å; V46-F70 HydrophobicContact CG2-CE2 3.83Å; V46-F107 HydrophobicContact CG1-CE2 4.4Å; V46-F109 PolarHBondContact N-O 2.83Å; V46-F109 PolarHBondContact O-N 2.66Å; V46-V112 HydrophobicContact CB-CG2 4.46Å; V46-V112 HydrophobicContact CG2-CB 4.41Å; V46-V112 HydrophobicContact CG2-CG2 4.12Å; V46-L130 HydrophobicContact CG1-CD1 3.85Å; V46-L130 HydrophobicContact CG1-CD2 4.07Å; V46-L130 HydrophobicContact CG1-CG 4.27Å
47A98.5Very high96.5Very high16 Ų1644.5 Ų44.513%0.13224%0.239CC..EExtended strand (participates in β ladder)trans-133.4153.2-175.500000111.7L16 T17 T45 F107 E108L16-A47 WeakPolarHBondContact CA-O 3.46Å; T17-A47 PolarHBondContact N-O 3.26Å; T17-A47 PolarHBondContact OG1-O 2.78Å; T45-A47 HydrophobicContact CG2-CB 4.24Å; A47-F107 WeakPolarHBondContact CA-O 3.48Å; A47-E108 HydrophobicContact CB-CB 4.07Å; A47-E108 HydrophobicContact CB-CG 4.03Å
48G98.5Very high95.8Very high2 Ų246.2 Ų46.22%0.02127%0.271CS..EExtended strand (participates in β ladder)trans172.9-157.1-17800000113.1V15 T17 F107V15-G48 CarbonylContact O-C 3.08Å; V15-G48 WeakPolarHBondContact O-CA 3.46Å; T17-G48 WeakPolarHBondContact OG1-CA 3.34Å; T17-G48 PolarHBondContact OG1-N 2.76Å; G48-F107 PolarHBondContact N-O 2.75Å; G48-F107 VanDerWaalsContact O-CD1 3.32Å; G48-F107 WeakPolarHBondContact O-CD1 3.43Å; G48-F107 PolarHBondContact O-N 3.21Å
49K98.6Very high95.5Very high94 Ų9449.5 Ų49.541%0.40929%0.285SS..EExtended strand (participates in β ladder)trans-131.4142.3-179.4-51.4-167.8177.3-109.30110.8V15 T104 F105 D106V15-K49 PolarHBondContact N-O 3.39Å; V15-K49 PolarHBondContact O-N 2.59Å; K49-T104 HydrophobicContact CB-CG2 3.75Å; K49-T104 HydrophobicContact CD-CG2 3.77Å; K49-T104 HydrophobicContact CG-CG2 4.26Å; K49-F105 CarbonylContact C-O 3.54Å; K49-F105 VanDerWaalsContact CA-O 3.32Å; K49-F105 WeakPolarHBondContact CA-O 3.18Å; K49-D106 WeakPolarHBondContact CD-OD1 3.44Å; K49-D106 VanDerWaalsContact CE-OD1 3.31Å; K49-D106 WeakPolarHBondContact CE-OD1 3.29Å; K49-D106 VanDerWaalsContact CG-OD1 3.27Å; K49-D106 WeakPolarHBondContact CG-OD1 3.25Å; K49-D106 IonicContact NZ-OD1 2.94Å; K49-D106 PolarHBondContact NZ-OD1 3.19Å; K49-D106 IonicContact NZ-OD2 3.74Å
50V98.7Very high95.2Very high1 Ų155.1 Ų55.11%0.00631%0.305CS..EExtended strand (participates in β ladder)trans-103.2116.5167.3-179.80000107.9I12 V14 V52 I68 L93 T104 F105 F107 A132I12-V50 HydrophobicContact CG2-CG1 3.91Å; V14-V50 HydrophobicContact CG2-CG2 4.48Å; V50-V52 HydrophobicContact CG1-CG2 4.21Å; V50-I68 HydrophobicContact CG2-CB 4.17Å; V50-I68 HydrophobicContact CG2-CD1 4.03Å; V50-I68 HydrophobicContact CG2-CG1 4.22Å; V50-L93 HydrophobicContact CB-CD1 3.89Å; V50-L93 HydrophobicContact CG1-CD1 4.42Å; V50-L93 HydrophobicContact CG2-CD1 3.67Å; V50-T104 CarbonylContact O-C 3.41Å; V50-T104 WeakPolarHBondContact O-CA 3.45Å; V50-F105 PolarHBondContact N-O 3.08Å; V50-F105 PolarHBondContact O-N 3.35Å; V50-F107 HydrophobicContact CG2-CD1 3.94Å; V50-F107 HydrophobicContact CG2-CE1 4.2Å; V50-A132 HydrophobicContact CG1-CB 3.8Å; V50-A132 HydrophobicContact CG2-CB 4.17Å
51N98.4Very high95Very high37 Ų3755.2 Ų55.220%0.19831%0.306CS..EExtended strand (participates in β ladder)trans-96.6120.5176.1-61.2-44.6000108.9I12 D13 T104I12-N51 WeakPolarHBondContact CA-O 3.36Å; D13-N51 HydrophobicContact CB-CB 4.27Å; D13-N51 PolarHBondContact N-O 3.14Å; D13-N51 PolarHBondContact O-N 2.78Å; N51-T104 WeakPolarHBondContact OD1-CG2 3.21Å; N51-T104 PolarHBondContact OD1-OG1 3.31Å
52V97.8Very high94.9Very high0 Ų057.9 Ų57.90%032%0.32CS..EExtended strand (participates in β ladder)trans-109.5106175.4-175.90000108.5A10 V50 L99 S102 Q103 F105 V134A10-V52 HydrophobicContact CB-CG1 3.67Å; V50-V52 HydrophobicContact CG1-CG2 4.21Å; V52-L99 HydrophobicContact CB-CD1 4.41Å; V52-L99 HydrophobicContact CG1-CD1 3.81Å; V52-S102 VanDerWaalsContact O-CA 3.25Å; V52-S102 WeakPolarHBondContact O-CA 3.27Å; V52-S102 WeakPolarHBondContact O-CB 3.26Å; V52-Q103 PolarHBondContact N-O 3.32Å; V52-Q103 PolarHBondContact O-N 2.83Å; V52-F105 HydrophobicContact CG2-CD2 4.27Å; V52-F105 HydrophobicContact CG2-CE2 4.06Å; V52-V134 HydrophobicContact CG1-CG2 4.3Å; V52-V134 HydrophobicContact CG2-CG2 4.23Å
53T97Very high94.9Very high66 Ų6654.1 Ų54.141%0.40530%0.299SS..EExtended strand (participates in β ladder)trans-101.7118.2-176.6-57.40000110.6A10 E11 K55 S102A10-T53 CarbonylContact C-O 3.48Å; A10-T53 WeakPolarHBondContact CA-O 3.29Å; A10-T53 WeakPolarHBondContact CB-O 3.45Å; E11-T53 PolarHBondContact N-O 3.33Å; E11-T53 PolarHBondContact O-N 3Å; T53-K55 PolarHBondContact O-N 2.8Å; T53-S102 WeakPolarHBondContact CA-OG 3.44Å
54L95.2Very high95.1Very high11 Ų1157.9 Ų57.96%0.05831%0.307CS..EExtended strand (participates in β ladder)trans-72126.4178.6-67.4-172000111.3A10 L61 L99 S102A10-L54 HydrophobicContact CB-CD2 4.33Å; L54-L61 HydrophobicContact CD2-CB 3.79Å; L54-L61 HydrophobicContact CD2-CD2 3.91Å; L54-L99 HydrophobicContact CD2-CB 4.32Å; L54-S102 PolarHBondContact N-OG 3.4Å
55K93.3Very high95.1Very high128 Ų12855.1 Ų55.156%0.55730%0.298SS*.SBendtrans-70.6-35.1-177.1-69.9-170.5177.4-179.90113.7S9 T53S9-K55 PolarHBondContact O-N 3.04Å; T53-K55 PolarHBondContact O-N 2.8Å
56N90.4Very high95.1Very high62 Ų6252.8 Ų52.833%0.33228%0.283SS..SBendtrans-114.9104.2174.3-42.4-63.3000109.5Q8 K59Q8-N56 PolarHBondContact NE2-O 2.88Å; Q8-N56 PolarHBondContact OE1-ND2 3.11Å; Q8-N56 PolarHBondContact OE1-O 2.8Å; N56-K59 HydrophobicContact CB-CB 4.43Å; N56-K59 HydrophobicContact CB-CD 4.11Å; N56-K59 HydrophobicContact CB-CG 4.44Å; N56-K59 PolarHBondContact O-N 3.11Å
57P84.6Confident95.1Very high121 Ų12155.4 Ų55.479%0.78629%0.294SS*.THydrogen-bonded Turntrans-54.1141.6173.9-26.535.3000111.8K59P57-K59 VanDerWaalsContact C-N 3.28Å; P57-K59 PolarHBondContact O-N 2.81Å
58G82.9Confident95.1Very high81 Ų8154.6 Ų54.684%0.83529%0.288SS*.THydrogen-bonded Turntrans81.7-9179.400000115.8
59K91.2Very high95.1Very high98 Ų9855.1 Ų55.143%0.42629%0.29SS..  trans-96.4133.6168.5-72.9-173.2179.11780110.5Q8 N56 P57Q8-K59 HydrophobicContact CB-CB 4.28Å; Q8-K59 HydrophobicContact CG-CB 4.22Å; Q8-K59 PolarHBondContact NE2-O 2.9Å; N56-K59 HydrophobicContact CB-CB 4.43Å; N56-K59 HydrophobicContact CB-CD 4.11Å; N56-K59 HydrophobicContact CB-CG 4.44Å; N56-K59 PolarHBondContact O-N 3.11Å; P57-K59 VanDerWaalsContact C-N 3.28Å; P57-K59 PolarHBondContact O-N 2.81Å
60R92.4Very high95.1Very high133 Ų13350.7 Ų50.750%0.50227%0.27SS..  trans-75.1145.417664.9173.1-171.8-175.38.4112.6Q8 E62 E98 L99 T100Q8-R60 VanDerWaalsContact CB-O 3.26Å; Q8-R60 WeakPolarHBondContact CB-O 3.45Å; Q8-R60 WeakPolarHBondContact CG-O 3.43Å; R60-E62 IonicContact CZ-OE1 2.71Å; R60-E62 VanDerWaalsContact CZ-OE1 3.26Å; R60-E62 IonicContact NE-OE1 3.6Å; R60-E62 PolarHBondContact NE-OE1 2.79Å; R60-E62 IonicContact NH2-OE1 3.71Å; R60-E62 PolarHBondContact NH2-OE1 3.32Å; R60-E98 WeakPolarHBondContact CD-OE2 3.47Å; R60-E98 IonicContact CZ-OE1 2.71Å; R60-E98 VanDerWaalsContact CZ-OE1 3.26Å; R60-E98 IonicContact CZ-OE2 3.68Å; R60-E98 IonicContact NE-OE1 3.17Å; R60-E98 IonicContact NE-OE2 3.98Å; R60-E98 VanDerWaalsContact NH1-CD 3.32Å; R60-E98 IonicContact NH1-OE1 2.69Å; R60-E98 PolarHBondContact NH1-OE1 2.83Å; R60-E98 IonicContact NH1-OE2 2.8Å; R60-E98 PolarHBondContact NH1-OE2 3.49Å; R60-E98 IonicContact NH2-OE1 3.51Å; R60-L99 CarbonylContact C-O 3.59Å; R60-L99 WeakPolarHBondContact CA-O 3.42Å; R60-T100 HydrophobicContact CB-CG2 4.47Å
61L94.5Very high95.1Very high2 Ų250.6 Ų50.61%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-110.7107.4170.8178.265.9000109.4Q8 A10 L54 E98 L99 V134Q8-L61 HydrophobicContact CB-CD1 4.46Å; Q8-L61 HydrophobicContact CG-CB 3.8Å; Q8-L61 HydrophobicContact CG-CD1 4.27Å; A10-L61 HydrophobicContact CB-CD2 3.76Å; L54-L61 HydrophobicContact CD2-CB 3.79Å; L54-L61 HydrophobicContact CD2-CD2 3.91Å; L61-E98 WeakPolarHBondContact O-CA 3.39Å; L61-L99 HydrophobicContact CB-CB 4.3Å; L61-L99 PolarHBondContact N-O 2.82Å; L61-L99 PolarHBondContact O-N 2.98Å; L61-V134 HydrophobicContact CD2-CG1 4.37Å
62E95.6Very high95.1Very high109 Ų10948.9 Ų48.951%0.50926%0.261SS..EExtended strand (participates in β ladder)trans-75.1131.1171.3-66.7172-160.800110R60 E98R60-E62 IonicContact CZ-OE1 2.71Å; R60-E62 VanDerWaalsContact CZ-OE1 3.26Å; R60-E62 IonicContact NE-OE1 3.6Å; R60-E62 PolarHBondContact NE-OE1 2.79Å; R60-E62 IonicContact NH2-OE1 3.71Å; R60-E62 PolarHBondContact NH2-OE1 3.32Å; E62-E98 HydrophobicContact CG-CG 3.99Å
63H96.9Very high95.1Very high16 Ų1649 Ų497%0.07426%0.261CS..EExtended strand (participates in β ladder)trans-139.5153.1179.56790.7000112G65 R95 P96 G97 V134 S135H63-G65 PolarHBondContact ND1-N 3.05Å; H63-R95 PolarHBondContact CE1-O 2.94Å; H63-P96 WeakPolarHBondContact O-CA 3.39Å; H63-G97 PolarHBondContact CD2-O 2.86Å; H63-G97 PolarHBondContact N-O 2.97Å; H63-G97 PolarHBondContact O-N 2.82Å; H63-V134 HydrophobicContact CB-CG1 3.74Å; H63-S135 CarbonylContact C-O 3.59Å; H63-S135 VanDerWaalsContact CA-O 3.27Å; H63-S135 WeakPolarHBondContact CA-O 3.25Å; H63-S135 WeakPolarHBondContact CB-O 3.35Å
64Q97.6Very high95.2Very high117 Ų11745.9 Ų45.955%0.54724%0.242SC..SBendtrans-95.78.7177.6-65.6-176.1-12.400113P96 S135Q64-P96 WeakPolarHBondContact O-CG 3.47Å; Q64-S135 PolarHBondContact N-O 3.02Å
65G97.8Very high95.2Very high12 Ų1246.4 Ų46.412%0.12424%0.244CC..EExtended strand (participates in β ladder)trans144.8157.7177.900000110.4H63 A94 S135H63-G65 PolarHBondContact ND1-N 3.05Å; G65-A94 WeakPolarHBondContact CA-O 3.49Å; G65-S135 PolarHBondContact O-N 3.16Å
66I98.6Very high95.3Very high2 Ų240.4 Ų40.41%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-126.1129171.4-53.6177.6000106.2L93 A94 L99 F105 T133 V134I66-L93 HydrophobicContact CB-CB 4.36Å; I66-L93 HydrophobicContact CG2-CB 4.18Å; I66-L93 HydrophobicContact CG2-CD1 4.28Å; I66-L93 WeakPolarHBondContact O-CA 3.3Å; I66-L93 WeakPolarHBondContact O-CB 3.18Å; I66-L93 PolarHBondContact O-N 2.76Å; I66-A94 HydrophobicContact CB-CB 3.97Å; I66-A94 HydrophobicContact CD1-CB 4.01Å; I66-A94 HydrophobicContact CG1-CB 4.02Å; I66-A94 PolarHBondContact N-O 3.18Å; I66-A94 PolarHBondContact O-N 3.09Å; I66-A94 VanDerWaalsContact O-N 3.1Å; I66-L99 HydrophobicContact CD1-CD1 3.83Å; I66-L99 HydrophobicContact CD1-CG 4.48Å; I66-F105 HydrophobicContact CD1-CE2 3.78Å; I66-F105 HydrophobicContact CD1-CZ 3.78Å; I66-T133 WeakPolarHBondContact CA-O 3.38Å; I66-V134 HydrophobicContact CD1-CG2 4.39Å; I66-V134 HydrophobicContact CG1-CG1 4.3Å; I66-V134 HydrophobicContact CG1-CG2 4.15Å; I66-V134 HydrophobicContact CG2-CG2 4.13Å
67K98.6Very high95.4Very high55 Ų5539.4 Ų39.424%0.23921%0.21CC..EExtended strand (participates in β ladder)trans-136.5158.5179.862.3173.1178166.80111.4E69 V90 K91 A132 T133K67-E69 HydrophobicContact CD-CG 4.23Å; K67-E69 WeakPolarHBondContact CE-OE1 3.11Å; K67-E69 IonicContact NZ-OE1 3.93Å; K67-E69 PolarHBondContact NZ-OE1 2.89Å; K67-E69 IonicContact NZ-OE2 2.78Å; K67-V90 HydrophobicContact CB-CG1 4.39Å; K67-V90 HydrophobicContact CD-CG1 4.09Å; K67-K91 WeakPolarHBondContact CA-O 3.41Å; K67-A132 WeakPolarHBondContact O-CA 3.26Å; K67-T133 PolarHBondContact N-O 2.93Å; K67-T133 PolarHBondContact O-N 2.75Å
68I98.8Very high95.6Very high0 Ų037.6 Ų37.60%019%0.188CC..EExtended strand (participates in β ladder)trans-123.3138.1167.5-177.864.5000108.2V50 K91 L93 F107 F109 L130 R131 A132V50-I68 HydrophobicContact CG2-CB 4.17Å; V50-I68 HydrophobicContact CG2-CD1 4.03Å; V50-I68 HydrophobicContact CG2-CG1 4.22Å; I68-K91 HydrophobicContact CG2-CB 3.87Å; I68-K91 PolarHBondContact N-O 2.87Å; I68-K91 PolarHBondContact O-N 3.47Å; I68-L93 HydrophobicContact CB-CD1 3.92Å; I68-L93 HydrophobicContact CB-CG 4.45Å; I68-L93 HydrophobicContact CG2-CD1 3.87Å; I68-L93 HydrophobicContact CG2-CD2 3.82Å; I68-L93 HydrophobicContact CG2-CG 3.95Å; I68-F107 HydrophobicContact CG1-CD1 4.29Å; I68-F107 HydrophobicContact CG1-CD2 4.32Å; I68-F107 HydrophobicContact CG1-CE1 4.48Å; I68-F107 HydrophobicContact CG1-CG 4.21Å; I68-F107 HydrophobicContact CG2-CB 3.66Å; I68-F107 HydrophobicContact CG2-CD2 4.44Å; I68-F107 HydrophobicContact CG2-CG 3.98Å; I68-F109 HydrophobicContact CG1-CE2 4.23Å; I68-F109 HydrophobicContact CG2-CE2 4.22Å; I68-F109 HydrophobicContact CG2-CZ 4.02Å; I68-L130 HydrophobicContact CD1-CB 4.14Å; I68-L130 HydrophobicContact CD1-CD2 4.3Å; I68-L130 HydrophobicContact CG1-CD2 4.24Å; I68-R131 WeakPolarHBondContact CA-O 3.28Å; I68-A132 HydrophobicContact CD1-CB 3.89Å
69E98.7Very high95.9Very high13 Ų1336.7 Ų36.76%0.06116%0.164CC..EExtended strand (participates in β ladder)trans-122.8137.8-179.1-55176.2128.500109K67 V71 L89 V90 L130 R131K67-E69 HydrophobicContact CD-CG 4.23Å; K67-E69 WeakPolarHBondContact CE-OE1 3.11Å; K67-E69 IonicContact NZ-OE1 3.93Å; K67-E69 PolarHBondContact NZ-OE1 2.89Å; K67-E69 IonicContact NZ-OE2 2.78Å; E69-V71 HydrophobicContact CB-CG2 4.03Å; E69-L89 CarbonylContact C-O 3.51Å; E69-L89 WeakPolarHBondContact CA-O 3.46Å; E69-V90 HydrophobicContact CG-CG1 4.23Å; E69-V90 HydrophobicContact CG-CG2 4.08Å; E69-L130 CarbonylContact O-C 3.59Å; E69-L130 VanDerWaalsContact O-CA 3.25Å; E69-L130 WeakPolarHBondContact O-CA 3.26Å; E69-R131 HydrophobicContact CB-CB 4.37Å; E69-R131 PolarHBondContact N-O 2.85Å; E69-R131 PolarHBondContact O-N 2.92Å; E69-R131 IonicContact OE1-NH2 2.79Å; E69-R131 IonicContact OE2-CZ 3.56Å; E69-R131 VanDerWaalsContact OE2-CZ 3.23Å; E69-R131 IonicContact OE2-NE 3.61Å; E69-R131 PolarHBondContact OE2-NE 2.95Å; E69-R131 IonicContact OE2-NH2 3.52Å; E69-R131 PolarHBondContact OE2-NH2 2.89Å
70F98.8Very high95.4Very high0 Ų039.5 Ų39.50%017%0.172CC..EExtended strand (participates in β ladder)trans-102.2119.6162.8178.3-85.6000107.7V46 V87 S88 L89 F109 V112 K114 Y128 L130 I147V46-F70 HydrophobicContact CB-CD2 4.38Å; V46-F70 HydrophobicContact CG1-CD2 4.26Å; V46-F70 HydrophobicContact CG2-CD2 4.1Å; V46-F70 HydrophobicContact CG2-CE2 3.83Å; F70-V87 HydrophobicContact CD1-CG1 4.39Å; F70-V87 HydrophobicContact CD1-CG2 4.29Å; F70-V87 HydrophobicContact CE1-CG1 3.92Å; F70-V87 HydrophobicContact CE1-CG2 4.31Å; F70-S88 WeakPolarHBondContact O-CA 3.46Å; F70-L89 HydrophobicContact CB-CB 4.24Å; F70-L89 HydrophobicContact CD1-CD1 4.44Å; F70-L89 PolarHBondContact N-O 2.85Å; F70-L89 PolarHBondContact O-N 3.07Å; F70-F109 HydrophobicContact CB-CD2 4.09Å; F70-F109 HydrophobicContact CB-CE2 4.06Å; F70-F109 HydrophobicContact CB-CG 4.5Å; F70-F109 HydrophobicContact CB-CZ 4.43Å; F70-V112 HydrophobicContact CD1-CG1 3.53Å; F70-V112 HydrophobicContact CD2-CG1 4.33Å; F70-V112 HydrophobicContact CE1-CG1 3.26Å; F70-V112 HydrophobicContact CE2-CG1 4.08Å; F70-V112 HydrophobicContact CG-CG1 4.08Å; F70-V112 HydrophobicContact CZ-CG1 3.57Å; F70-K114 HydrophobicContact CE1-CG 4.46Å; F70-K114 HydrophobicContact CZ-CD 4.09Å; F70-K114 HydrophobicContact CZ-CG 4.01Å; F70-Y128 HydrophobicContact CE1-CD1 4.02Å; F70-Y128 AromaticContact CZ-CD1 3.82Å; F70-Y128 HydrophobicContact CZ-CD1 3.82Å; F70-L130 HydrophobicContact CB-CD2 4.13Å; F70-L130 HydrophobicContact CD2-CD2 4.09Å; F70-I147 HydrophobicContact CE2-CD1 3.61Å; F70-I147 HydrophobicContact CZ-CD1 4.2Å
71V98.8Very high95.1Very high0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-125.2131.8-175.3-172.80000109.5E69 Q73 E85 V87 Y128 F129E69-V71 HydrophobicContact CB-CG2 4.03Å; V71-Q73 HydrophobicContact CG1-CB 4.29Å; V71-E85 HydrophobicContact CG1-CG 3.84Å; V71-V87 WeakPolarHBondContact CA-O 3.4Å; V71-Y128 CarbonylContact O-C 3.57Å; V71-Y128 VanDerWaalsContact O-CA 3.25Å; V71-Y128 WeakPolarHBondContact O-CA 3.43Å; V71-F129 HydrophobicContact CB-CD2 4.38Å; V71-F129 HydrophobicContact CB-CE1 4.01Å; V71-F129 HydrophobicContact CB-CE2 3.87Å; V71-F129 HydrophobicContact CB-CZ 3.66Å; V71-F129 HydrophobicContact CG1-CE1 4.06Å; V71-F129 HydrophobicContact CG1-CE2 4.45Å; V71-F129 HydrophobicContact CG1-CZ 3.79Å; V71-F129 HydrophobicContact CG2-CE2 4.02Å; V71-F129 HydrophobicContact CG2-CZ 4.18Å; V71-F129 PolarHBondContact N-O 2.85Å; V71-F129 PolarHBondContact O-N 3.21Å
72G98.6Very high94.9Very high0 Ų040.3 Ų40.30%021%0.205CC..EExtended strand (participates in β ladder)trans-119.3122.4164.200000108.6F86 V87 R127G72-F86 VanDerWaalsContact C-CE1 3.4Å; G72-F86 VanDerWaalsContact C-CZ 3.49Å; G72-F86 WeakPolarHBondContact O-CD1 3.38Å; G72-F86 PolarHBondContact O-N 2.84Å; G72-V87 VanDerWaalsContact CA-CG1 3.5Å; G72-V87 PolarHBondContact N-O 3.48Å; G72-V87 PolarHBondContact O-N 2.77Å; G72-R127 WeakPolarHBondContact CA-O 3.36Å
73Q98.1Very high94.8Very high3 Ų339.5 Ų39.51%0.01420%0.201CC..EExtended strand (participates in β ladder)trans-140.7156.6-173.272.7-176.822.500112.8V71 E75 H83 H84 E85 F86 L126 R127 F129V71-Q73 HydrophobicContact CG1-CB 4.29Å; Q73-E75 HydrophobicContact CG-CG 4.3Å; Q73-E75 PolarHBondContact NE2-OE1 2.82Å; Q73-H83 PolarHBondContact NE2-ND1 2.91Å; Q73-H84 VanDerWaalsContact CA-O 3.32Å; Q73-H84 WeakPolarHBondContact CA-O 3.39Å; Q73-E85 HydrophobicContact CB-CG 4.13Å; Q73-F86 VanDerWaalsContact C-CE1 3.49Å; Q73-F86 VanDerWaalsContact N-CE1 3.33Å; Q73-L126 WeakPolarHBondContact O-CA 3.48Å; Q73-R127 HydrophobicContact CG-CG 4.25Å; Q73-R127 PolarHBondContact N-O 2.92Å; Q73-R127 PolarHBondContact O-N 2.87Å; Q73-R127 VanDerWaalsContact O-N 3.13Å; Q73-F129 HydrophobicContact CG-CE1 3.99Å
74I97.9Very high94.7Very high0 Ų040.4 Ų40.40%021%0.205CC..EExtended strand (participates in β ladder)trans-108.1124.3170-58.9171.6000108.1L76 H84 F86 V124 K125 L126 I262 N263 K265 F266I74-L76 HydrophobicContact CG2-CD2 3.98Å; I74-L76 HydrophobicContact CG2-CG 4.31Å; I74-H84 HydrophobicContact CB-CB 4.33Å; I74-H84 PolarHBondContact N-O 2.7Å; I74-H84 PolarHBondContact O-N 2.9Å; I74-F86 HydrophobicContact CD1-CD1 4.27Å; I74-F86 HydrophobicContact CD1-CE1 4.47Å; I74-F86 HydrophobicContact CG1-CD1 3.9Å; I74-F86 HydrophobicContact CG1-CE1 3.81Å; I74-V124 HydrophobicContact CG2-CG2 3.54Å; I74-K125 CarbonylContact C-O 3.49Å; I74-K125 WeakPolarHBondContact CA-O 3.34Å; I74-L126 HydrophobicContact CD1-CD1 4.32Å; I74-L126 HydrophobicContact CG1-CB 4.43Å; I74-L126 HydrophobicContact CG1-CD1 4.04Å; I74-L126 HydrophobicContact CG1-CG 4.08Å; I74-I262 HydrophobicContact CD1-CG2 4.16Å; I74-N263 HydrophobicContact CD1-CB 3.74Å; I74-K265 HydrophobicContact CD1-CB 4.16Å; I74-K265 HydrophobicContact CD1-CG 4.19Å; I74-K265 HydrophobicContact CG2-CB 4.36Å; I74-F266 HydrophobicContact CD1-CD1 4.38Å; I74-F266 HydrophobicContact CD1-CE1 4.07Å; I74-F266 HydrophobicContact CG1-CE1 4.38Å; I74-F266 HydrophobicContact CG2-CD1 4.29Å; I74-F266 HydrophobicContact CG2-CE1 4.37Å
75E96.1Very high94.7Very high23 Ų2339 Ų3911%0.10720%0.199CC..EExtended strand (participates in β ladder)trans-105.9121.5174.7-61.4169.2-162.500108.2Q73 V124 K125 R127Q73-E75 HydrophobicContact CG-CG 4.3Å; Q73-E75 PolarHBondContact NE2-OE1 2.82Å; E75-V124 CarbonylContact O-C 3.52Å; E75-V124 WeakPolarHBondContact O-CA 3.17Å; E75-K125 HydrophobicContact CB-CB 4.32Å; E75-K125 PolarHBondContact N-O 3.05Å; E75-K125 PolarHBondContact O-N 3.1Å; E75-K125 IonicContact OE2-NZ 3.15Å; E75-R127 WeakPolarHBondContact OE1-CD 3.37Å; E75-R127 IonicContact OE1-NH1 3.92Å; E75-R127 PolarHBondContact OE1-NH1 2.93Å
76L94.8Very high94.7Very high1 Ų140.6 Ų40.61%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-103.6122.9178.7-59.5170.5000108.3I74 Y78 D79 R80 V124 T215 K265I74-L76 HydrophobicContact CG2-CD2 3.98Å; I74-L76 HydrophobicContact CG2-CG 4.31Å; L76-Y78 VanDerWaalsContact C-N 3.26Å; L76-Y78 HydrophobicContact CB-CD1 4.18Å; L76-Y78 HydrophobicContact CB-CE1 3.83Å; L76-Y78 HydrophobicContact CD1-CE1 4.15Å; L76-Y78 WeakPolarHBondContact CD1-OH 3.28Å; L76-Y78 HydrophobicContact CD2-CE1 4.33Å; L76-Y78 HydrophobicContact CG-CE1 4.33Å; L76-Y78 PolarHBondContact O-N 2.91Å; L76-D79 CarbonylContact O-C 3.58Å; L76-D79 PolarHBondContact O-N 3.03Å; L76-R80 PolarHBondContact O-N 2.76Å; L76-R80 VanDerWaalsContact O-N 3.16Å; L76-V124 HydrophobicContact CD2-CB 4.15Å; L76-V124 HydrophobicContact CD2-CG2 3.7Å; L76-T215 HydrophobicContact CD2-CG2 3.43Å; L76-T215 VanDerWaalsContact CD2-CG2 3.43Å; L76-K265 HydrophobicContact CD1-CD 4.22Å
77Y92.9Very high94.7Very high41 Ų4141.3 Ų41.316%0.16121%0.207CC..G310 helixtrans-73.1-18.2-170.8-63.1-16.6000114.4E30 D79 R80 Q122 N123 K125E30-Y77 WeakPolarHBondContact CG-OH 3.43Å; Y77-D79 VanDerWaalsContact C-N 3.26Å; Y77-R80 HydrophobicContact CD1-CG 4.5Å; Y77-R80 WeakPolarHBondContact O-CG 3.18Å; Y77-Q122 WeakPolarHBondContact CD2-O 3.42Å; Y77-Q122 VanDerWaalsContact CE2-O 3.29Å; Y77-Q122 WeakPolarHBondContact CE2-O 3.25Å; Y77-N123 PolarHBondContact N-O 3.16Å; Y77-K125 HydrophobicContact CE1-CB 4.11Å
78Y88.8Confident94.6Very high83 Ų8341.5 Ų41.533%0.32522%0.215SC..G310 helixtrans-76.8-15.6170.868.8-101.3000112.5L76 T215 G216 Y222L76-Y78 VanDerWaalsContact C-N 3.26Å; L76-Y78 HydrophobicContact CB-CD1 4.18Å; L76-Y78 HydrophobicContact CB-CE1 3.83Å; L76-Y78 HydrophobicContact CD1-CE1 4.15Å; L76-Y78 WeakPolarHBondContact CD1-OH 3.28Å; L76-Y78 HydrophobicContact CD2-CE1 4.33Å; L76-Y78 HydrophobicContact CG-CE1 4.33Å; L76-Y78 PolarHBondContact O-N 2.91Å; Y78-T215 HydrophobicContact CE1-CG2 4.04Å; Y78-G216 WeakPolarHBondContact OH-CA 3.3Å; Y78-Y222 AromaticContact CD1-CD2 3.78Å; Y78-Y222 HydrophobicContact CD1-CD2 3.78Å; Y78-Y222 AromaticContact CD1-CE2 3.63Å; Y78-Y222 HydrophobicContact CD1-CE2 3.63Å; Y78-Y222 HydrophobicContact CD2-CE2 4.23Å; Y78-Y222 HydrophobicContact CE1-CD2 4.06Å; Y78-Y222 HydrophobicContact CE1-CE2 4.03Å; Y78-Y222 HydrophobicContact CG-CD2 4.33Å; Y78-Y222 AromaticContact CG-CE2 3.73Å; Y78-Y222 HydrophobicContact CG-CE2 3.73Å
79D87.6Confident94.6Very high63 Ų6344.3 Ų44.334%0.33723%0.23SC..G310 helixtrans-136.653.2179.5-169.314.6000110.4L76 Y77 G81 N82L76-D79 CarbonylContact O-C 3.58Å; L76-D79 PolarHBondContact O-N 3.03Å; Y77-D79 VanDerWaalsContact C-N 3.26Å; D79-G81 PolarHBondContact O-N 2.82Å; D79-N82 HydrophobicContact CB-CB 4.47Å; D79-N82 VanDerWaalsContact CG-CB 3.41Å; D79-N82 PolarHBondContact O-N 2.97Å; D79-N82 WeakPolarHBondContact OD2-CB 3.22Å; D79-N82 PolarHBondContact OD2-ND2 3.23Å
80R81.4Confident94.6Very high157 Ų15747.5 Ų47.559%0.59225%0.25SC*.THydrogen-bonded Turntrans-57.1-21.5-172.6-77-175.6176.5-155.6-7.4114.8L76 Y77 N82 H83L76-R80 PolarHBondContact O-N 2.76Å; L76-R80 VanDerWaalsContact O-N 3.16Å; Y77-R80 HydrophobicContact CD1-CG 4.5Å; Y77-R80 WeakPolarHBondContact O-CG 3.18Å; R80-N82 VanDerWaalsContact C-N 3.26Å; R80-H83 PolarHBondContact O-NE2 2.83Å
81G86.1Confident94.6Very high79 Ų7951.1 Ų51.181%0.81427%0.266SS*.THydrogen-bonded Turntrans-77.6-12177.900000113.8D79D79-G81 PolarHBondContact O-N 2.82Å
82N90Very high94.6Very high72 Ų7257.2 Ų57.239%0.38530%0.298SS..  trans-118.195.2-170.2-167.98.8000110.7D79 R80D79-N82 HydrophobicContact CB-CB 4.47Å; D79-N82 VanDerWaalsContact CG-CB 3.41Å; D79-N82 PolarHBondContact O-N 2.97Å; D79-N82 WeakPolarHBondContact OD2-CB 3.22Å; D79-N82 PolarHBondContact OD2-ND2 3.23Å; R80-N82 VanDerWaalsContact C-N 3.26Å
83H93.6Very high94.5Very high92 Ų9258.6 Ų58.643%0.42631%0.305SS..EExtended strand (participates in β ladder)trans-82.5133.1176.8-56.9168000110.2Q73 R80Q73-H83 PolarHBondContact NE2-ND1 2.91Å; R80-H83 PolarHBondContact O-NE2 2.83Å
84H95.3Very high94.5Very high35 Ų3559.6 Ų59.616%0.16231%0.314CS..EExtended strand (participates in β ladder)trans-101.387.3176-62-50.4000110.1Q73 I74 F86 K265Q73-H84 VanDerWaalsContact CA-O 3.32Å; Q73-H84 WeakPolarHBondContact CA-O 3.39Å; I74-H84 HydrophobicContact CB-CB 4.33Å; I74-H84 PolarHBondContact N-O 2.7Å; I74-H84 PolarHBondContact O-N 2.9Å; H84-F86 PolarHBondContact O-N 2.92Å; H84-K265 PolarHBondContact CD2-NZ 2.9Å; H84-K265 PolarHBondContact CE1-NZ 2.85Å; H84-K265 VanDerWaalsContact CE1-NZ 3.33Å; H84-K265 PolarHBondContact NE2-NZ 2.79Å
85E97.5Very high94.5Very high87 Ų8770.3 Ų70.341%0.40736%0.355SS..EExtended strand (participates in β ladder)trans-66.3127.4171.6-61.5-174.3-169.900109.8V71 Q73 S88V71-E85 HydrophobicContact CG1-CG 3.84Å; Q73-E85 HydrophobicContact CB-CG 4.13Å; E85-S88 VanDerWaalsContact OE2-CB 3.29Å; E85-S88 WeakPolarHBondContact OE2-CB 3.45Å; E85-S88 PolarHBondContact OE2-OG 3.46Å
86F97.6Very high94.6Very high47 Ų4773.9 Ų73.921%0.20638%0.38CS..EExtended strand (participates in β ladder)trans-114-14.3174.357.5-98.3000112.4G72 Q73 I74 H84 P115 Y116 L126 Y128G72-F86 VanDerWaalsContact C-CE1 3.4Å; G72-F86 VanDerWaalsContact C-CZ 3.49Å; G72-F86 WeakPolarHBondContact O-CD1 3.38Å; G72-F86 PolarHBondContact O-N 2.84Å; Q73-F86 VanDerWaalsContact C-CE1 3.49Å; Q73-F86 VanDerWaalsContact N-CE1 3.33Å; I74-F86 HydrophobicContact CD1-CD1 4.27Å; I74-F86 HydrophobicContact CD1-CE1 4.47Å; I74-F86 HydrophobicContact CG1-CD1 3.9Å; I74-F86 HydrophobicContact CG1-CE1 3.81Å; H84-F86 PolarHBondContact O-N 2.92Å; F86-P115 HydrophobicContact CD2-CG 4.35Å; F86-P115 HydrophobicContact CE2-CG 4.46Å; F86-Y116 HydrophobicContact CD1-CD2 4.4Å; F86-Y116 AromaticContact CD2-CD2 3.93Å; F86-Y116 HydrophobicContact CD2-CD2 3.93Å; F86-Y116 HydrophobicContact CD2-CE2 4.01Å; F86-Y116 HydrophobicContact CE1-CD2 4.25Å; F86-Y116 AromaticContact CE2-CD2 3.79Å; F86-Y116 HydrophobicContact CE2-CD2 3.79Å; F86-Y116 HydrophobicContact CE2-CE2 4.34Å; F86-Y116 HydrophobicContact CG-CD2 4.24Å; F86-Y116 HydrophobicContact CG-CE2 4.1Å; F86-Y116 AromaticContact CZ-CD2 3.97Å; F86-Y116 HydrophobicContact CZ-CD2 3.97Å; F86-L126 HydrophobicContact CE1-CD1 4.22Å; F86-L126 HydrophobicContact CE1-CD2 4.28Å; F86-L126 HydrophobicContact CE1-CG 3.96Å; F86-L126 HydrophobicContact CZ-CD1 4.36Å; F86-L126 HydrophobicContact CZ-CD2 3.9Å; F86-L126 HydrophobicContact CZ-CG 4.09Å; F86-Y128 AromaticContact CE2-CE1 3.55Å; F86-Y128 HydrophobicContact CE2-CE1 3.55Å; F86-Y128 AromaticContact CE2-CZ 3.67Å; F86-Y128 WeakPolarHBondContact CE2-OH 3.36Å; F86-Y128 AromaticContact CZ-CE1 3.75Å; F86-Y128 HydrophobicContact CZ-CE1 3.75Å; F86-Y128 HydrophobicContact CZ-CE2 4.29Å; F86-Y128 AromaticContact CZ-CZ 3.62Å
87V97.7Very high94.7Very high17 Ų1775.5 Ų75.510%0.10340%0.397CS..EExtended strand (participates in β ladder)trans-141.4131.8165.959.50000108.5F70 V71 G72 L89 Y128F70-V87 HydrophobicContact CD1-CG1 4.39Å; F70-V87 HydrophobicContact CD1-CG2 4.29Å; F70-V87 HydrophobicContact CE1-CG1 3.92Å; F70-V87 HydrophobicContact CE1-CG2 4.31Å; V71-V87 WeakPolarHBondContact CA-O 3.4Å; G72-V87 VanDerWaalsContact CA-CG1 3.5Å; G72-V87 PolarHBondContact N-O 3.48Å; G72-V87 PolarHBondContact O-N 2.77Å; V87-L89 HydrophobicContact CG2-CG 4.33Å; V87-Y128 HydrophobicContact CG1-CD1 4.3Å; V87-Y128 HydrophobicContact CG1-CE1 4.02Å
88S97.5Very high94.8Very high58 Ų5878 Ų7841%0.40641%0.41SS..EExtended strand (participates in β ladder)trans-147.6107.5-178.1-160.80000108.6F70 E85F70-S88 WeakPolarHBondContact O-CA 3.46Å; E85-S88 VanDerWaalsContact OE2-CB 3.29Å; E85-S88 WeakPolarHBondContact OE2-CB 3.45Å; E85-S88 PolarHBondContact OE2-OG 3.46Å
89L98.5Very high95.1Very high59 Ų5974.4 Ų74.431%0.30940%0.396SS..EExtended strand (participates in β ladder)trans-116.8133.2178.6-53.4176.5000108.7E69 F70 V87 F109 V112E69-L89 CarbonylContact C-O 3.51Å; E69-L89 WeakPolarHBondContact CA-O 3.46Å; F70-L89 HydrophobicContact CB-CB 4.24Å; F70-L89 HydrophobicContact CD1-CD1 4.44Å; F70-L89 PolarHBondContact N-O 2.85Å; F70-L89 PolarHBondContact O-N 3.07Å; V87-L89 HydrophobicContact CG2-CG 4.33Å; L89-F109 HydrophobicContact CB-CD1 3.77Å; L89-F109 HydrophobicContact CB-CE1 3.76Å; L89-F109 HydrophobicContact CD1-CB 4.23Å; L89-F109 HydrophobicContact CD1-CD1 4.13Å; L89-F109 HydrophobicContact CD1-CG 4.4Å; L89-V112 HydrophobicContact CD1-CB 4.42Å; L89-V112 HydrophobicContact CD1-CG1 3.96Å; L89-V112 HydrophobicContact CD1-CG2 3.99Å
90V98.6Very high95.4Very high80 Ų8076 Ų7649%0.48541%0.409SS..EExtended strand (participates in β ladder)trans-122.5135.7-177.6-174.60000109.6K67 E69K67-V90 HydrophobicContact CB-CG1 4.39Å; K67-V90 HydrophobicContact CD-CG1 4.09Å; E69-V90 HydrophobicContact CG-CG1 4.23Å; E69-V90 HydrophobicContact CG-CG2 4.08Å
91K98.4Very high96.1Very high77 Ų7775.3 Ų75.334%0.33541%0.412SS..EExtended strand (participates in β ladder)trans-128.6117.3170.3-170.8173.1-171.5169.20109.6K67 I68 L93 F107 E108 F109K67-K91 WeakPolarHBondContact CA-O 3.41Å; I68-K91 HydrophobicContact CG2-CB 3.87Å; I68-K91 PolarHBondContact N-O 2.87Å; I68-K91 PolarHBondContact O-N 3.47Å; K91-L93 HydrophobicContact CG-CD2 4.37Å; K91-L93 PolarHBondContact O-N 3.15Å; K91-F107 HydrophobicContact CD-CB 4.16Å; K91-E108 PolarHBondContact NZ-O 3.47Å; K91-F109 HydrophobicContact CB-CE1 3.82Å; K91-F109 HydrophobicContact CB-CZ 3.91Å
92D98.5Very high96.5Very high128 Ų12874.4 Ų74.468%0.68439%0.393SS*.EExtended strand (participates in β ladder)trans-73.3123.5172.1-64.7-43.4000109.7
93L98.3Very high96.9Very high28 Ų2875.1 Ų75.115%0.14739%0.394CS..EExtended strand (participates in β ladder)trans-97.9-32-177.5-59.3179000111.9V50 I66 I68 K91 F105 F107V50-L93 HydrophobicContact CB-CD1 3.89Å; V50-L93 HydrophobicContact CG1-CD1 4.42Å; V50-L93 HydrophobicContact CG2-CD1 3.67Å; I66-L93 HydrophobicContact CB-CB 4.36Å; I66-L93 HydrophobicContact CG2-CB 4.18Å; I66-L93 HydrophobicContact CG2-CD1 4.28Å; I66-L93 WeakPolarHBondContact O-CA 3.3Å; I66-L93 WeakPolarHBondContact O-CB 3.18Å; I66-L93 PolarHBondContact O-N 2.76Å; I68-L93 HydrophobicContact CB-CD1 3.92Å; I68-L93 HydrophobicContact CB-CG 4.45Å; I68-L93 HydrophobicContact CG2-CD1 3.87Å; I68-L93 HydrophobicContact CG2-CD2 3.82Å; I68-L93 HydrophobicContact CG2-CG 3.95Å; K91-L93 HydrophobicContact CG-CD2 4.37Å; K91-L93 PolarHBondContact O-N 3.15Å; L93-F105 HydrophobicContact CB-CB 3.92Å; L93-F105 HydrophobicContact CB-CD1 4.12Å; L93-F105 HydrophobicContact CB-CG 4.03Å; L93-F105 HydrophobicContact CD1-CB 3.92Å; L93-F105 HydrophobicContact CD2-CB 4.27Å; L93-F105 HydrophobicContact CG-CB 4.25Å; L93-F107 HydrophobicContact CD2-CB 4.08Å
94A98.2Very high97.1Very high25 Ų2574 Ų7421%0.20739%0.394CS..EExtended strand (participates in β ladder)trans-149141.8174.200000111.4G65 I66 F105G65-A94 WeakPolarHBondContact CA-O 3.49Å; I66-A94 HydrophobicContact CB-CB 3.97Å; I66-A94 HydrophobicContact CD1-CB 4.01Å; I66-A94 HydrophobicContact CG1-CB 4.02Å; I66-A94 PolarHBondContact N-O 3.18Å; I66-A94 PolarHBondContact O-N 3.09Å; I66-A94 VanDerWaalsContact O-N 3.1Å; A94-F105 HydrophobicContact CB-CE1 3.92Å; A94-F105 HydrophobicContact CB-CZ 4.24Å
95R97.9Very high97.2Very high225 Ų22573.3 Ų73.385%0.84939%0.39SS*.  trans-68.8165.2170.1-69.9-176.9-174.3175.11.8110.9H63 G97H63-R95 PolarHBondContact CE1-O 2.94Å; R95-G97 PolarHBondContact O-N 3.19Å
96P98.2Very high97.3Very high98 Ų9874 Ų7464%0.63640%0.397SS*.SBendtrans-48.4134.9170.4-23.728.2000112.1H63 Q64H63-P96 WeakPolarHBondContact O-CA 3.39Å; Q64-P96 WeakPolarHBondContact O-CG 3.47Å
97G96.4Very high97.4Very high34 Ų3472 Ų7235%0.35139%0.388SS..EExtended strand (participates in β ladder)trans177.2-160.2-173.400000114H63 R95H63-G97 PolarHBondContact CD2-O 2.86Å; H63-G97 PolarHBondContact N-O 2.97Å; H63-G97 PolarHBondContact O-N 2.82Å; R95-G97 PolarHBondContact O-N 3.19Å
98E95.3Very high97.4Very high94 Ų9476.3 Ų76.344%0.43941%0.407SS..EExtended strand (participates in β ladder)trans-127.1132.5179.4-52.9-171166.700110.3R60 L61 E62R60-E98 WeakPolarHBondContact CD-OE2 3.47Å; R60-E98 IonicContact CZ-OE1 2.71Å; R60-E98 VanDerWaalsContact CZ-OE1 3.26Å; R60-E98 IonicContact CZ-OE2 3.68Å; R60-E98 IonicContact NE-OE1 3.17Å; R60-E98 IonicContact NE-OE2 3.98Å; R60-E98 VanDerWaalsContact NH1-CD 3.32Å; R60-E98 IonicContact NH1-OE1 2.69Å; R60-E98 PolarHBondContact NH1-OE1 2.83Å; R60-E98 IonicContact NH1-OE2 2.8Å; R60-E98 PolarHBondContact NH1-OE2 3.49Å; R60-E98 IonicContact NH2-OE1 3.51Å; L61-E98 WeakPolarHBondContact O-CA 3.39Å; E62-E98 HydrophobicContact CG-CG 3.99Å
99L94.7Very high97.4Very high8 Ų874.4 Ų74.44%0.04239%0.392CS..EExtended strand (participates in β ladder)trans-96.3117.7167.7-72.3175.4000109.8V52 L54 R60 L61 I66 Q103 F105V52-L99 HydrophobicContact CB-CD1 4.41Å; V52-L99 HydrophobicContact CG1-CD1 3.81Å; L54-L99 HydrophobicContact CD2-CB 4.32Å; R60-L99 CarbonylContact C-O 3.59Å; R60-L99 WeakPolarHBondContact CA-O 3.42Å; L61-L99 HydrophobicContact CB-CB 4.3Å; L61-L99 PolarHBondContact N-O 2.82Å; L61-L99 PolarHBondContact O-N 2.98Å; I66-L99 HydrophobicContact CD1-CD1 3.83Å; I66-L99 HydrophobicContact CD1-CG 4.48Å; L99-Q103 HydrophobicContact CD2-CB 4.17Å; L99-F105 HydrophobicContact CD2-CZ 4.38Å
100T94.2Very high97.4Very high97 Ų9775.2 Ų75.260%0.59540%0.399SS*.SBendtrans-95.7-19.9175.254.50000113R60R60-T100 HydrophobicContact CB-CG2 4.47Å
101Q94.6Very high97.2Very high141 Ų14178.6 Ų78.666%0.65941%0.409SS*.SBendtrans-138.8160177.962.4-174.9-1.700110.4
102S96.2Very high97.2Very high61 Ų6175 Ų7543%0.42739%0.394SS..  trans-59.6140.2171.5-57.40000110.3V52 T53 L54V52-S102 VanDerWaalsContact O-CA 3.25Å; V52-S102 WeakPolarHBondContact O-CA 3.27Å; V52-S102 WeakPolarHBondContact O-CB 3.26Å; T53-S102 WeakPolarHBondContact CA-OG 3.44Å; L54-S102 PolarHBondContact N-OG 3.4Å
103Q96.9Very high97.1Very high86 Ų8675.6 Ų75.640%0.40239%0.392SS..EExtended strand (participates in β ladder)trans-141.9150.9-173.9-169.3169.720.200111.2V52 L99 F105V52-Q103 PolarHBondContact N-O 3.32Å; V52-Q103 PolarHBondContact O-N 2.83Å; L99-Q103 HydrophobicContact CD2-CB 4.17Å; Q103-F105 HydrophobicContact CB-CE2 4.03Å; Q103-F105 HydrophobicContact CB-CZ 4.07Å; Q103-F105 HydrophobicContact CG-CE1 4.16Å; Q103-F105 HydrophobicContact CG-CE2 4.02Å; Q103-F105 HydrophobicContact CG-CZ 3.75Å; Q103-F105 VanDerWaalsContact OE1-CZ 3.24Å
104T98.4Very high97.1Very high68 Ų6874.3 Ų74.342%0.41739%0.386SS..EExtended strand (participates in β ladder)trans-115139.2176.1-61.70000109.7K49 V50 N51K49-T104 HydrophobicContact CB-CG2 3.75Å; K49-T104 HydrophobicContact CD-CG2 3.77Å; K49-T104 HydrophobicContact CG-CG2 4.26Å; V50-T104 CarbonylContact O-C 3.41Å; V50-T104 WeakPolarHBondContact O-CA 3.45Å; N51-T104 WeakPolarHBondContact OD1-CG2 3.21Å; N51-T104 PolarHBondContact OD1-OG1 3.31Å
105F98.6Very high97.1Very high21 Ų2176 Ų769%0.09239%0.394CS..EExtended strand (participates in β ladder)trans-125.8126.6-179.7-58.1-87000110.3K49 V50 V52 I66 L93 A94 L99 Q103K49-F105 CarbonylContact C-O 3.54Å; K49-F105 VanDerWaalsContact CA-O 3.32Å; K49-F105 WeakPolarHBondContact CA-O 3.18Å; V50-F105 PolarHBondContact N-O 3.08Å; V50-F105 PolarHBondContact O-N 3.35Å; V52-F105 HydrophobicContact CG2-CD2 4.27Å; V52-F105 HydrophobicContact CG2-CE2 4.06Å; I66-F105 HydrophobicContact CD1-CE2 3.78Å; I66-F105 HydrophobicContact CD1-CZ 3.78Å; L93-F105 HydrophobicContact CB-CB 3.92Å; L93-F105 HydrophobicContact CB-CD1 4.12Å; L93-F105 HydrophobicContact CB-CG 4.03Å; L93-F105 HydrophobicContact CD1-CB 3.92Å; L93-F105 HydrophobicContact CD2-CB 4.27Å; L93-F105 HydrophobicContact CG-CB 4.25Å; A94-F105 HydrophobicContact CB-CE1 3.92Å; A94-F105 HydrophobicContact CB-CZ 4.24Å; L99-F105 HydrophobicContact CD2-CZ 4.38Å; Q103-F105 HydrophobicContact CB-CE2 4.03Å; Q103-F105 HydrophobicContact CB-CZ 4.07Å; Q103-F105 HydrophobicContact CG-CE1 4.16Å; Q103-F105 HydrophobicContact CG-CE2 4.02Å; Q103-F105 HydrophobicContact CG-CZ 3.75Å; Q103-F105 VanDerWaalsContact OE1-CZ 3.24Å
106D98.6Very high97.1Very high102 Ų10268 Ų6855%0.54536%0.364SS..EExtended strand (participates in β ladder)trans-81142.8177.7-63.5-26.6000111K49K49-D106 WeakPolarHBondContact CD-OD1 3.44Å; K49-D106 VanDerWaalsContact CE-OD1 3.31Å; K49-D106 WeakPolarHBondContact CE-OD1 3.29Å; K49-D106 VanDerWaalsContact CG-OD1 3.27Å; K49-D106 WeakPolarHBondContact CG-OD1 3.25Å; K49-D106 IonicContact NZ-OD1 2.94Å; K49-D106 PolarHBondContact NZ-OD1 3.19Å; K49-D106 IonicContact NZ-OD2 3.74Å
107F98.7Very high97.1Very high6 Ų663.8 Ų63.83%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-137.3155.1174.376.9-92.3000111.9V14 V46 A47 G48 V50 I68 K91 L93 F109 L130V14-F107 HydrophobicContact CG1-CE1 4.05Å; V14-F107 HydrophobicContact CG1-CZ 4.21Å; V46-F107 HydrophobicContact CG1-CE2 4.4Å; A47-F107 WeakPolarHBondContact CA-O 3.48Å; G48-F107 PolarHBondContact N-O 2.75Å; G48-F107 VanDerWaalsContact O-CD1 3.32Å; G48-F107 WeakPolarHBondContact O-CD1 3.43Å; G48-F107 PolarHBondContact O-N 3.21Å; V50-F107 HydrophobicContact CG2-CD1 3.94Å; V50-F107 HydrophobicContact CG2-CE1 4.2Å; I68-F107 HydrophobicContact CG1-CD1 4.29Å; I68-F107 HydrophobicContact CG1-CD2 4.32Å; I68-F107 HydrophobicContact CG1-CE1 4.48Å; I68-F107 HydrophobicContact CG1-CG 4.21Å; I68-F107 HydrophobicContact CG2-CB 3.66Å; I68-F107 HydrophobicContact CG2-CD2 4.44Å; I68-F107 HydrophobicContact CG2-CG 3.98Å; K91-F107 HydrophobicContact CD-CB 4.16Å; L93-F107 HydrophobicContact CD2-CB 4.08Å; F107-F109 AromaticContact CD2-CD2 3.93Å; F107-F109 HydrophobicContact CD2-CD2 3.93Å; F107-F109 AromaticContact CD2-CE2 3.83Å; F107-F109 HydrophobicContact CD2-CE2 3.83Å; F107-F109 HydrophobicContact CE2-CD2 4.26Å; F107-F109 HydrophobicContact CE2-CE2 4.28Å; F107-L130 HydrophobicContact CE2-CD1 4.09Å; F107-L130 HydrophobicContact CE2-CD2 4.04Å; F107-L130 HydrophobicContact CZ-CD1 3.76Å; F107-L130 HydrophobicContact CZ-CD2 4.38Å
108E98.6Very high97.1Very high107 Ų10762.4 Ų62.450%0.532%0.322SS..EExtended strand (participates in β ladder)trans-157.7125.7178.6179172.2-16000108.3T45 A47 K91 T110T45-E108 HydrophobicContact CG2-CG 3.88Å; A47-E108 HydrophobicContact CB-CB 4.07Å; A47-E108 HydrophobicContact CB-CG 4.03Å; K91-E108 PolarHBondContact NZ-O 3.47Å; E108-T110 HydrophobicContact CG-CG2 3.9Å
109F98.5Very high97.3Very high18 Ų1858 Ų588%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-114.7114.4168.5-59.1-75.5000107.7T45 V46 I68 F70 L89 K91 F107 V112 L130T45-F109 CarbonylContact C-O 3.55Å; T45-F109 VanDerWaalsContact CA-O 3.31Å; T45-F109 WeakPolarHBondContact CA-O 3.48Å; T45-F109 WeakPolarHBondContact CG2-O 3.49Å; V46-F109 PolarHBondContact N-O 2.83Å; V46-F109 PolarHBondContact O-N 2.66Å; I68-F109 HydrophobicContact CG1-CE2 4.23Å; I68-F109 HydrophobicContact CG2-CE2 4.22Å; I68-F109 HydrophobicContact CG2-CZ 4.02Å; F70-F109 HydrophobicContact CB-CD2 4.09Å; F70-F109 HydrophobicContact CB-CE2 4.06Å; F70-F109 HydrophobicContact CB-CG 4.5Å; F70-F109 HydrophobicContact CB-CZ 4.43Å; L89-F109 HydrophobicContact CB-CD1 3.77Å; L89-F109 HydrophobicContact CB-CE1 3.76Å; L89-F109 HydrophobicContact CD1-CB 4.23Å; L89-F109 HydrophobicContact CD1-CD1 4.13Å; L89-F109 HydrophobicContact CD1-CG 4.4Å; K91-F109 HydrophobicContact CB-CE1 3.82Å; K91-F109 HydrophobicContact CB-CZ 3.91Å; F107-F109 AromaticContact CD2-CD2 3.93Å; F107-F109 HydrophobicContact CD2-CD2 3.93Å; F107-F109 AromaticContact CD2-CE2 3.83Å; F107-F109 HydrophobicContact CD2-CE2 3.83Å; F107-F109 HydrophobicContact CE2-CD2 4.26Å; F107-F109 HydrophobicContact CE2-CE2 4.28Å; F109-V112 HydrophobicContact CB-CG2 3.47Å; F109-V112 VanDerWaalsContact CB-CG2 3.47Å; F109-V112 VanDerWaalsContact O-CG2 3.29Å; F109-V112 WeakPolarHBondContact O-CG2 3.32Å; F109-L130 HydrophobicContact CD2-CD2 4.4Å; F109-L130 HydrophobicContact CE2-CD2 4.04Å
110T97.7Very high97.4Very high75 Ų7558.9 Ų58.946%0.4631%0.307SS..  trans-94.9155.6179.367.40000110.4T45 E108 V112T45-T110 HydrophobicContact CG2-CG2 4.24Å; E108-T110 HydrophobicContact CG-CG2 3.9Å; T110-V112 VanDerWaalsContact C-N 3.25Å; T110-V112 PolarHBondContact O-N 2.96Å
111H95.1Very high97.5Very high152 Ų15255 Ų5570%0.70429%0.286SS*.SBendtrans51.742.5175.6-53.391.6000113.4G43 E113G43-H111 WeakPolarHBondContact O-CA 3.43Å; H111-E113 PolarHBondContact O-N 2.93Å
112V97.5Very high97.5Very high1 Ų154.3 Ų54.31%0.00628%0.282CS..  trans-73.4117.5-173.7-177.60000109.7G43 V46 F70 L89 F109 T110 K114G43-V112 WeakPolarHBondContact CA-O 3.45Å; G43-V112 PolarHBondContact N-O 2.94Å; G43-V112 VanDerWaalsContact N-O 3.11Å; V46-V112 HydrophobicContact CB-CG2 4.46Å; V46-V112 HydrophobicContact CG2-CB 4.41Å; V46-V112 HydrophobicContact CG2-CG2 4.12Å; F70-V112 HydrophobicContact CD1-CG1 3.53Å; F70-V112 HydrophobicContact CD2-CG1 4.33Å; F70-V112 HydrophobicContact CE1-CG1 3.26Å; F70-V112 HydrophobicContact CE2-CG1 4.08Å; F70-V112 HydrophobicContact CG-CG1 4.08Å; F70-V112 HydrophobicContact CZ-CG1 3.57Å; L89-V112 HydrophobicContact CD1-CB 4.42Å; L89-V112 HydrophobicContact CD1-CG1 3.96Å; L89-V112 HydrophobicContact CD1-CG2 3.99Å; F109-V112 HydrophobicContact CB-CG2 3.47Å; F109-V112 VanDerWaalsContact CB-CG2 3.47Å; F109-V112 VanDerWaalsContact O-CG2 3.29Å; F109-V112 WeakPolarHBondContact O-CG2 3.32Å; T110-V112 VanDerWaalsContact C-N 3.25Å; T110-V112 PolarHBondContact O-N 2.96Å; V112-K114 HydrophobicContact CG1-CG 4.19Å; V112-K114 PolarHBondContact O-N 2.93Å; V112-K114 PolarHBondContact O-NZ 2.92Å
113E97.3Very high97.5Very high141 Ų14152.9 Ų52.966%0.65927%0.27SS*.  trans-68.4126.2174.5-64.4-173.6171.700110.8D42 H111D42-E113 WeakPolarHBondContact OD1-CA 3.44Å; H111-E113 PolarHBondContact O-N 2.93Å
114K98.1Very high97.5Very high1 Ų148.8 Ų48.80%0.00425%0.251CS..  trans-136.465.2178.2-50.9174.9-149.667.90108.5F40 Y41 D42 E44 F70 V112 Y116 Y128 V149F40-K114 HydrophobicContact CB-CD 4.13Å; Y41-K114 PolarHBondContact O-NZ 2.88Å; D42-K114 PolarHBondContact OD1-N 2.91Å; E44-K114 PolarHBondContact O-NZ 2.92Å; F70-K114 HydrophobicContact CE1-CG 4.46Å; F70-K114 HydrophobicContact CZ-CD 4.09Å; F70-K114 HydrophobicContact CZ-CG 4.01Å; V112-K114 HydrophobicContact CG1-CG 4.19Å; V112-K114 PolarHBondContact O-N 2.93Å; V112-K114 PolarHBondContact O-NZ 2.92Å; K114-Y116 PolarHBondContact O-N 3.27Å; K114-Y116 VanDerWaalsContact O-N 3.08Å; K114-Y128 HydrophobicContact CB-CE1 4.03Å; K114-Y128 HydrophobicContact CG-CE1 4.28Å; K114-V149 HydrophobicContact CB-CG1 3.76Å; K114-V149 HydrophobicContact CB-CG2 4.04Å; K114-V149 HydrophobicContact CD-CG1 4.48Å; K114-V149 HydrophobicContact CD-CG2 3.7Å; K114-V149 HydrophobicContact CG-CG2 4.26Å
115P96.8Very high97.4Very high59 Ų5947 Ų4738%0.38324%0.237SC..  trans-66.8-16.3-165.526.2-35.7000114.1F86F86-P115 HydrophobicContact CD2-CG 4.35Å; F86-P115 HydrophobicContact CE2-CG 4.46Å
116Y98Very high97.4Very high57 Ų5746 Ų4622%0.22423%0.233CC..SBendtrans-124.8142.3-173.1-49.3-54.3000112.1F86 K114 L126 Y128 I262 N263F86-Y116 HydrophobicContact CD1-CD2 4.4Å; F86-Y116 AromaticContact CD2-CD2 3.93Å; F86-Y116 HydrophobicContact CD2-CD2 3.93Å; F86-Y116 HydrophobicContact CD2-CE2 4.01Å; F86-Y116 HydrophobicContact CE1-CD2 4.25Å; F86-Y116 AromaticContact CE2-CD2 3.79Å; F86-Y116 HydrophobicContact CE2-CD2 3.79Å; F86-Y116 HydrophobicContact CE2-CE2 4.34Å; F86-Y116 HydrophobicContact CG-CD2 4.24Å; F86-Y116 HydrophobicContact CG-CE2 4.1Å; F86-Y116 AromaticContact CZ-CD2 3.97Å; F86-Y116 HydrophobicContact CZ-CD2 3.97Å; K114-Y116 PolarHBondContact O-N 3.27Å; K114-Y116 VanDerWaalsContact O-N 3.08Å; Y116-L126 VanDerWaalsContact CB-CD1 3.49Å; Y116-L126 HydrophobicContact CD2-CD1 4.06Å; Y116-L126 HydrophobicContact CG-CD1 4.05Å; Y116-Y128 PolarHBondContact N-OH 2.89Å; Y116-Y128 WeakPolarHBondContact O-CE2 2.98Å; Y116-Y128 PolarHBondContact O-OH 3.4Å; Y116-I262 HydrophobicContact CD1-CD1 3.93Å; Y116-I262 HydrophobicContact CD1-CG2 3.77Å; Y116-I262 HydrophobicContact CD2-CG2 3.94Å; Y116-I262 HydrophobicContact CE1-CD1 4.38Å; Y116-I262 HydrophobicContact CE1-CG2 4.08Å; Y116-I262 HydrophobicContact CE2-CG2 4.26Å; Y116-I262 HydrophobicContact CG-CG2 3.68Å; Y116-N263 HydrophobicContact CE2-CB 4.13Å
117E98.2Very high97.4Very high10 Ų1042.7 Ų42.75%0.04721%0.213CC..  trans-71139172.5174.2153.614500111.1V149 H150 T151 P257 M259 R294E117-V149 WeakPolarHBondContact CA-O 3.39Å; E117-V149 WeakPolarHBondContact CG-O 3.39Å; E117-H150 IonicContact OE1-CD2 2.78Å; E117-H150 WeakPolarHBondContact OE2-CA 3.44Å; E117-H150 IonicContact OE2-CD2 3.26Å; E117-T151 PolarHBondContact N-OG1 3.17Å; E117-T151 PolarHBondContact OE2-N 2.91Å; E117-P257 WeakPolarHBondContact OE1-CD 3.38Å; E117-P257 WeakPolarHBondContact OE1-CG 3.41Å; E117-M259 HydrophobicContact CB-CE 4Å; E117-M259 HydrophobicContact CG-CE 4Å; E117-R294 IonicContact OE1-CZ 3.26Å; E117-R294 VanDerWaalsContact OE1-CZ 3.27Å; E117-R294 IonicContact OE1-NE 3.26Å; E117-R294 PolarHBondContact OE1-NE 3.31Å; E117-R294 IonicContact OE1-NH2 3.75Å; E117-R294 PolarHBondContact OE1-NH2 3.05Å; E117-R294 IonicContact OE2-CZ 3.76Å; E117-R294 IonicContact OE2-NE 2.91Å; E117-R294 PolarHBondContact OE2-NE 2.86Å
118S98.4Very high97.4Very high6 Ų642.4 Ų42.44%0.04221%0.212CC..  trans-57.5138.1175.7-66.90000111.1L126 V149S118-L126 WeakPolarHBondContact CA-O 3.13Å; S118-V149 PolarHBondContact N-O 3.5Å; S118-V149 PolarHBondContact OG-N 2.95Å
119Y98.1Very high97.4Very high2 Ų237.3 Ų37.31%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-145.1131.4-175.7-178-109.8000111.2G121 V124 K125 L126 K211 E213 T256 M259 F266 V268Y119-G121 WeakPolarHBondContact OH-CA 3.34Å; Y119-V124 HydrophobicContact CD1-CG1 4.01Å; Y119-V124 HydrophobicContact CE1-CG1 3.74Å; Y119-K125 CarbonylContact O-C 3.6Å; Y119-K125 WeakPolarHBondContact O-CA 3.21Å; Y119-L126 PolarHBondContact N-O 2.91Å; Y119-L126 PolarHBondContact O-N 2.93Å; Y119-K211 WeakPolarHBondContact OH-CE 3.14Å; Y119-K211 PolarHBondContact OH-NZ 2.88Å; Y119-E213 WeakPolarHBondContact CE1-OE2 3.49Å; Y119-E213 PolarHBondContact OH-OE2 2.65Å; Y119-T256 HydrophobicContact CD2-CG2 4.12Å; Y119-T256 HydrophobicContact CE2-CG2 4.28Å; Y119-M259 HydrophobicContact CD2-CE 4.01Å; Y119-M259 HydrophobicContact CD2-SD 4.1Å; Y119-M259 HydrophobicContact CG-CE 4.25Å; Y119-M259 HydrophobicContact CG-SD 4Å; Y119-F266 HydrophobicContact CD1-CD2 4.36Å; Y119-F266 AromaticContact CD1-CE2 3.64Å; Y119-F266 HydrophobicContact CD1-CE2 3.64Å; Y119-F266 HydrophobicContact CD1-CZ 4.14Å; Y119-F266 HydrophobicContact CE1-CD2 4.46Å; Y119-F266 HydrophobicContact CE1-CE2 4.11Å; Y119-F266 HydrophobicContact CG-CE2 4.23Å; Y119-V268 HydrophobicContact CD1-CG2 4.27Å; Y119-V268 HydrophobicContact CD2-CG2 4.31Å; Y119-V268 HydrophobicContact CE1-CG2 3.71Å; Y119-V268 HydrophobicContact CE2-CG1 4.27Å; Y119-V268 HydrophobicContact CE2-CG2 3.76Å; Y119-V268 VanDerWaalsContact CZ-CG2 3.45Å
120T97.7Very high97.4Very high26 Ų2636.5 Ų36.516%0.1618%0.184CC..EExtended strand (participates in β ladder)trans-116.6108167.5-51.30000107.7H27 K28 E30H27-T120 PolarHBondContact NE2-OG1 3.43Å; K28-T120 WeakPolarHBondContact O-CB 3.1Å; K28-T120 PolarHBondContact O-OG1 2.78Å; E30-T120 HydrophobicContact CG-CG2 4.02Å
121G95.8Very high97.5Very high15 Ų1535.4 Ų35.416%0.15517%0.171CC..  trans-105.9-168.4-177.800000113.8Y119 V124 E213Y119-G121 WeakPolarHBondContact OH-CA 3.34Å; G121-V124 VanDerWaalsContact CA-O 3.26Å; G121-V124 WeakPolarHBondContact CA-O 3.4Å; G121-V124 PolarHBondContact N-O 3.47Å; G121-E213 WeakPolarHBondContact CA-OE2 3.38Å
122Q95Very high97.6Very high126 Ų12628.2 Ų28.259%0.58914%0.138SC*.SBendtrans-81.7-40.3178.2-176.760.536.400111.7Y77 E213 E224Y77-Q122 WeakPolarHBondContact CD2-O 3.42Å; Y77-Q122 VanDerWaalsContact CE2-O 3.29Å; Y77-Q122 WeakPolarHBondContact CE2-O 3.25Å; Q122-E213 PolarHBondContact N-OE1 2.82Å; Q122-E213 PolarHBondContact N-OE2 3.49Å; Q122-E224 HydrophobicContact CB-CB 4.32Å; Q122-E224 HydrophobicContact CB-CG 3.99Å; Q122-E224 HydrophobicContact CG-CB 4.46Å; Q122-E224 HydrophobicContact CG-CG 3.82Å
123N95.3Very high97.7Very high31 Ų3128.5 Ų28.517%0.16614%0.14CC..SBendtrans-120-3-177.4-71.5-34.3000113.4Y77 E213 T215 E224Y77-N123 PolarHBondContact N-O 3.16Å; N123-E213 WeakPolarHBondContact CA-OE1 3.31Å; N123-E213 WeakPolarHBondContact CB-OE1 3.29Å; N123-E213 PolarHBondContact N-OE1 2.82Å; N123-T215 HydrophobicContact CB-CG2 4.39Å; N123-E224 WeakPolarHBondContact ND2-CG 3.33Å; N123-E224 PolarHBondContact ND2-OE1 3.2Å
124V96.8Very high97.7Very high0 Ų021.8 Ų21.80%011%0.109CC..EExtended strand (participates in β ladder)trans-144.6147-177.463.50000112.1I74 E75 L76 Y119 G121 E213 T215 F266I74-V124 HydrophobicContact CG2-CG2 3.54Å; E75-V124 CarbonylContact O-C 3.52Å; E75-V124 WeakPolarHBondContact O-CA 3.17Å; L76-V124 HydrophobicContact CD2-CB 4.15Å; L76-V124 HydrophobicContact CD2-CG2 3.7Å; Y119-V124 HydrophobicContact CD1-CG1 4.01Å; Y119-V124 HydrophobicContact CE1-CG1 3.74Å; G121-V124 VanDerWaalsContact CA-O 3.26Å; G121-V124 WeakPolarHBondContact CA-O 3.4Å; G121-V124 PolarHBondContact N-O 3.47Å; V124-E213 HydrophobicContact CG1-CG 4.27Å; V124-T215 HydrophobicContact CB-CG2 3.87Å; V124-T215 HydrophobicContact CG1-CG2 4.45Å; V124-F266 HydrophobicContact CB-CB 4.49Å; V124-F266 HydrophobicContact CB-CG 4.39Å; V124-F266 HydrophobicContact CG1-CB 4.03Å; V124-F266 HydrophobicContact CG1-CD1 4.33Å; V124-F266 HydrophobicContact CG1-CD2 3.72Å; V124-F266 HydrophobicContact CG1-CE2 4.24Å; V124-F266 HydrophobicContact CG1-CG 3.78Å; V124-F266 HydrophobicContact CG2-CB 4.32Å; V124-F266 HydrophobicContact CG2-CD1 3.67Å; V124-F266 HydrophobicContact CG2-CE1 4.06Å; V124-F266 HydrophobicContact CG2-CG 3.94Å
125K97.4Very high97.7Very high30 Ų3023 Ų2313%0.1312%0.117CC..EExtended strand (participates in β ladder)trans-130.7130.5169.4-178.2-179.5-179.5-1680110.2E30 I74 E75 Y77 Y119 R127E30-K125 HydrophobicContact CG-CD 4.3Å; E30-K125 WeakPolarHBondContact OE1-CD 3.24Å; E30-K125 WeakPolarHBondContact OE1-CE 2.92Å; E30-K125 IonicContact OE1-NZ 2.86Å; E30-K125 PolarHBondContact OE1-NZ 3.45Å; I74-K125 CarbonylContact C-O 3.49Å; I74-K125 WeakPolarHBondContact CA-O 3.34Å; E75-K125 HydrophobicContact CB-CB 4.32Å; E75-K125 PolarHBondContact N-O 3.05Å; E75-K125 PolarHBondContact O-N 3.1Å; E75-K125 IonicContact OE2-NZ 3.15Å; Y77-K125 HydrophobicContact CE1-CB 4.11Å; Y119-K125 CarbonylContact O-C 3.6Å; Y119-K125 WeakPolarHBondContact O-CA 3.21Å; K125-R127 HydrophobicContact CG-CB 4.4Å
126L98.3Very high97.6Very high1 Ų123.6 Ų23.61%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-112.3114.8168.9-170.5160.1000107.7Q73 I74 F86 Y116 S118 Y119 Y128 I262 F266Q73-L126 WeakPolarHBondContact O-CA 3.48Å; I74-L126 HydrophobicContact CD1-CD1 4.32Å; I74-L126 HydrophobicContact CG1-CB 4.43Å; I74-L126 HydrophobicContact CG1-CD1 4.04Å; I74-L126 HydrophobicContact CG1-CG 4.08Å; F86-L126 HydrophobicContact CE1-CD1 4.22Å; F86-L126 HydrophobicContact CE1-CD2 4.28Å; F86-L126 HydrophobicContact CE1-CG 3.96Å; F86-L126 HydrophobicContact CZ-CD1 4.36Å; F86-L126 HydrophobicContact CZ-CD2 3.9Å; F86-L126 HydrophobicContact CZ-CG 4.09Å; Y116-L126 VanDerWaalsContact CB-CD1 3.49Å; Y116-L126 HydrophobicContact CD2-CD1 4.06Å; Y116-L126 HydrophobicContact CG-CD1 4.05Å; S118-L126 WeakPolarHBondContact CA-O 3.13Å; Y119-L126 PolarHBondContact N-O 2.91Å; Y119-L126 PolarHBondContact O-N 2.93Å; L126-Y128 HydrophobicContact CD2-CD2 4.12Å; L126-Y128 HydrophobicContact CD2-CE2 3.44Å; L126-Y128 VanDerWaalsContact CD2-CE2 3.44Å; L126-I262 HydrophobicContact CD1-CG2 3.59Å; L126-F266 HydrophobicContact CB-CE1 4.3Å; L126-F266 HydrophobicContact CB-CZ 4.15Å; L126-F266 HydrophobicContact CD1-CE1 3.97Å; L126-F266 HydrophobicContact CD1-CZ 4.01Å
127R98.1Very high97.3Very high33 Ų3331.4 Ų31.413%0.12514%0.141CC..EExtended strand (participates in β ladder)trans-133.3159.1-177.271.1-176-65.5-148.4-15.1111.6G72 Q73 E75 K125 F129 E144 D146G72-R127 WeakPolarHBondContact CA-O 3.36Å; Q73-R127 HydrophobicContact CG-CG 4.25Å; Q73-R127 PolarHBondContact N-O 2.92Å; Q73-R127 PolarHBondContact O-N 2.87Å; Q73-R127 VanDerWaalsContact O-N 3.13Å; E75-R127 WeakPolarHBondContact OE1-CD 3.37Å; E75-R127 IonicContact OE1-NH1 3.92Å; E75-R127 PolarHBondContact OE1-NH1 2.93Å; K125-R127 HydrophobicContact CG-CB 4.4Å; R127-F129 HydrophobicContact CG-CD1 4.03Å; R127-F129 HydrophobicContact CG-CE1 4.26Å; R127-E144 IonicContact CZ-OE2 2.73Å; R127-E144 IonicContact NH1-OE2 3.76Å; R127-E144 IonicContact NH2-OE2 3.78Å; R127-E144 PolarHBondContact NH2-OE2 2.89Å; R127-D146 IonicContact CZ-OD1 2.61Å; R127-D146 IonicContact CZ-OD2 3.91Å; R127-D146 IonicContact NE-OD1 3.83Å; R127-D146 PolarHBondContact NE-OD1 3.01Å; R127-D146 IonicContact NE-OD2 3.96Å; R127-D146 IonicContact NH2-OD1 2.71Å; R127-D146 PolarHBondContact NH2-OD1 2.84Å; R127-D146 IonicContact NH2-OD2 2.97Å; R127-D146 PolarHBondContact NH2-OD2 3.04Å
128Y98.8Very high96.8Very high0 Ų038 Ų380%018%0.176CC..EExtended strand (participates in β ladder)trans-125.9138.5171.6-62.3-97.1000108.9F70 V71 F86 V87 K114 Y116 L126 I147 V149F70-Y128 HydrophobicContact CE1-CD1 4.02Å; F70-Y128 AromaticContact CZ-CD1 3.82Å; F70-Y128 HydrophobicContact CZ-CD1 3.82Å; V71-Y128 CarbonylContact O-C 3.57Å; V71-Y128 VanDerWaalsContact O-CA 3.25Å; V71-Y128 WeakPolarHBondContact O-CA 3.43Å; F86-Y128 AromaticContact CE2-CE1 3.55Å; F86-Y128 HydrophobicContact CE2-CE1 3.55Å; F86-Y128 AromaticContact CE2-CZ 3.67Å; F86-Y128 WeakPolarHBondContact CE2-OH 3.36Å; F86-Y128 AromaticContact CZ-CE1 3.75Å; F86-Y128 HydrophobicContact CZ-CE1 3.75Å; F86-Y128 HydrophobicContact CZ-CE2 4.29Å; F86-Y128 AromaticContact CZ-CZ 3.62Å; V87-Y128 HydrophobicContact CG1-CD1 4.3Å; V87-Y128 HydrophobicContact CG1-CE1 4.02Å; K114-Y128 HydrophobicContact CB-CE1 4.03Å; K114-Y128 HydrophobicContact CG-CE1 4.28Å; Y116-Y128 PolarHBondContact N-OH 2.89Å; Y116-Y128 WeakPolarHBondContact O-CE2 2.98Å; Y116-Y128 PolarHBondContact O-OH 3.4Å; L126-Y128 HydrophobicContact CD2-CD2 4.12Å; L126-Y128 HydrophobicContact CD2-CE2 3.44Å; L126-Y128 VanDerWaalsContact CD2-CE2 3.44Å; Y128-I147 PolarHBondContact O-N 2.82Å; Y128-V149 HydrophobicContact CD1-CG2 4.22Å; Y128-V149 HydrophobicContact CD2-CB 3.83Å; Y128-V149 HydrophobicContact CD2-CG2 3.38Å; Y128-V149 HydrophobicContact CE1-CG2 4.37Å; Y128-V149 HydrophobicContact CE2-CB 3.65Å; Y128-V149 HydrophobicContact CE2-CG1 4.28Å; Y128-V149 HydrophobicContact CE2-CG2 3.58Å; Y128-V149 HydrophobicContact CG-CG2 3.71Å
129F98.7Very high96.6Very high0 Ų043.6 Ų43.60%021%0.205CC..EExtended strand (participates in β ladder)trans-151.6157.1178.957.9-85.9000112.1V71 Q73 R127 R131 E144 M145V71-F129 HydrophobicContact CB-CD2 4.38Å; V71-F129 HydrophobicContact CB-CE1 4.01Å; V71-F129 HydrophobicContact CB-CE2 3.87Å; V71-F129 HydrophobicContact CB-CZ 3.66Å; V71-F129 HydrophobicContact CG1-CE1 4.06Å; V71-F129 HydrophobicContact CG1-CE2 4.45Å; V71-F129 HydrophobicContact CG1-CZ 3.79Å; V71-F129 HydrophobicContact CG2-CE2 4.02Å; V71-F129 HydrophobicContact CG2-CZ 4.18Å; V71-F129 PolarHBondContact N-O 2.85Å; V71-F129 PolarHBondContact O-N 3.21Å; Q73-F129 HydrophobicContact CG-CE1 3.99Å; R127-F129 HydrophobicContact CG-CD1 4.03Å; R127-F129 HydrophobicContact CG-CE1 4.26Å; F129-R131 HydrophobicContact CD2-CB 4.03Å; F129-R131 HydrophobicContact CE2-CB 3.97Å; F129-E144 HydrophobicContact CD2-CB 4.3Å; F129-E144 HydrophobicContact CD2-CG 3.86Å; F129-E144 HydrophobicContact CE2-CG 4.12Å; F129-E144 WeakPolarHBondContact CE2-OE1 3.47Å; F129-M145 VanDerWaalsContact CA-O 3.29Å; F129-M145 WeakPolarHBondContact CA-O 3.36Å; F129-M145 WeakPolarHBondContact CB-O 3.39Å
130L98.8Very high96.5Very high0 Ų047.3 Ų47.30%023%0.225CC..EExtended strand (participates in β ladder)trans-95128.4165.8-75.2167.1000109.1V14 L16 V46 I68 E69 F70 F107 F109 E144 M145V14-L130 HydrophobicContact CG1-CB 4.4Å; V14-L130 HydrophobicContact CG1-CD1 4.13Å; L16-L130 HydrophobicContact CD2-CD1 3.78Å; V46-L130 HydrophobicContact CG1-CD1 3.85Å; V46-L130 HydrophobicContact CG1-CD2 4.07Å; V46-L130 HydrophobicContact CG1-CG 4.27Å; I68-L130 HydrophobicContact CD1-CB 4.14Å; I68-L130 HydrophobicContact CD1-CD2 4.3Å; I68-L130 HydrophobicContact CG1-CD2 4.24Å; E69-L130 CarbonylContact O-C 3.59Å; E69-L130 VanDerWaalsContact O-CA 3.25Å; E69-L130 WeakPolarHBondContact O-CA 3.26Å; F70-L130 HydrophobicContact CB-CD2 4.13Å; F70-L130 HydrophobicContact CD2-CD2 4.09Å; F107-L130 HydrophobicContact CE2-CD1 4.09Å; F107-L130 HydrophobicContact CE2-CD2 4.04Å; F107-L130 HydrophobicContact CZ-CD1 3.76Å; F107-L130 HydrophobicContact CZ-CD2 4.38Å; F109-L130 HydrophobicContact CD2-CD2 4.4Å; F109-L130 HydrophobicContact CE2-CD2 4.04Å; L130-E144 CarbonylContact O-C 3.46Å; L130-E144 VanDerWaalsContact O-CA 3.28Å; L130-E144 WeakPolarHBondContact O-CA 3.35Å; L130-M145 HydrophobicContact CB-CE 4.47Å; L130-M145 HydrophobicContact CD1-CE 3.52Å; L130-M145 PolarHBondContact N-O 2.92Å; L130-M145 PolarHBondContact O-N 2.95Å
131R98.7Very high96.4Very high52 Ų5247.5 Ų47.520%0.19623%0.225CC..EExtended strand (participates in β ladder)trans-117.9105.7176.9-174.3168.964.6-154.3-1.4110.9I68 E69 F129 K143 E144I68-R131 WeakPolarHBondContact CA-O 3.28Å; E69-R131 HydrophobicContact CB-CB 4.37Å; E69-R131 PolarHBondContact N-O 2.85Å; E69-R131 PolarHBondContact O-N 2.92Å; E69-R131 IonicContact OE1-NH2 2.79Å; E69-R131 IonicContact OE2-CZ 3.56Å; E69-R131 VanDerWaalsContact OE2-CZ 3.23Å; E69-R131 IonicContact OE2-NE 3.61Å; E69-R131 PolarHBondContact OE2-NE 2.95Å; E69-R131 IonicContact OE2-NH2 3.52Å; E69-R131 PolarHBondContact OE2-NH2 2.89Å; F129-R131 HydrophobicContact CD2-CB 4.03Å; F129-R131 HydrophobicContact CE2-CB 3.97Å; R131-K143 WeakPolarHBondContact CA-O 3.08Å; R131-E144 HydrophobicContact CB-CG 4.19Å; R131-E144 HydrophobicContact CG-CG 4.01Å
132A98.7Very high96.5Very high1 Ų150.2 Ų50.21%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-85.3130.7170.900000109.1I12 V14 V50 K67 I68 S142 K143I12-A132 HydrophobicContact CG2-CB 3.55Å; V14-A132 HydrophobicContact CG2-CB 3.75Å; V50-A132 HydrophobicContact CG1-CB 3.8Å; V50-A132 HydrophobicContact CG2-CB 4.17Å; K67-A132 WeakPolarHBondContact O-CA 3.26Å; I68-A132 HydrophobicContact CD1-CB 3.89Å; A132-S142 CarbonylContact O-C 3.48Å; A132-S142 WeakPolarHBondContact O-CA 3.36Å; A132-K143 PolarHBondContact N-O 3.01Å; A132-K143 PolarHBondContact O-N 3.21Å
133T98.6Very high96.6Very high8 Ų849.3 Ų49.35%0.04924%0.236CC..EExtended strand (participates in β ladder)trans-132.4126.3-178.7-540000110.6I66 K67 D140 I141I66-T133 WeakPolarHBondContact CA-O 3.38Å; K67-T133 PolarHBondContact N-O 2.93Å; K67-T133 PolarHBondContact O-N 2.75Å; T133-D140 HydrophobicContact CG2-CB 4.01Å; T133-I141 WeakPolarHBondContact CA-O 3.29Å
134V98.2Very high96.8Very high0 Ų051.4 Ų51.40%024%0.244CC..EExtended strand (participates in β ladder)trans-101.1104.3165.2178.70000107I12 V52 L61 H63 I66 I141I12-V134 HydrophobicContact CD1-CB 4.4Å; I12-V134 HydrophobicContact CD1-CG2 3.76Å; I12-V134 HydrophobicContact CG1-CG2 4.32Å; V52-V134 HydrophobicContact CG1-CG2 4.3Å; V52-V134 HydrophobicContact CG2-CG2 4.23Å; L61-V134 HydrophobicContact CD2-CG1 4.37Å; H63-V134 HydrophobicContact CB-CG1 3.74Å; I66-V134 HydrophobicContact CD1-CG2 4.39Å; I66-V134 HydrophobicContact CG1-CG1 4.3Å; I66-V134 HydrophobicContact CG1-CG2 4.15Å; I66-V134 HydrophobicContact CG2-CG2 4.13Å; V134-I141 HydrophobicContact CB-CB 4.39Å; V134-I141 PolarHBondContact N-O 2.73Å; V134-I141 PolarHBondContact O-N 2.79Å
135S97.4Very high96.8Very high25 Ų2553 Ų5318%0.17525%0.252CS..EExtended strand (participates in β ladder)trans-76.4136.7-176.3-68.50000111.6H63 Q64 G65 D140H63-S135 CarbonylContact C-O 3.59Å; H63-S135 VanDerWaalsContact CA-O 3.27Å; H63-S135 WeakPolarHBondContact CA-O 3.25Å; H63-S135 WeakPolarHBondContact CB-O 3.35Å; Q64-S135 PolarHBondContact N-O 3.02Å; G65-S135 PolarHBondContact O-N 3.16Å; S135-D140 VanDerWaalsContact CA-OD1 3.25Å; S135-D140 WeakPolarHBondContact CA-OD1 3.05Å; S135-D140 PolarHBondContact OG-OD2 3.13Å
136R94.8Very high96.9Very high73 Ų7353.9 Ų53.928%0.27526%0.258SS..  trans-134.9162-175.6-63.2178.467.7-156.79.9110.2Q8 L138 N139 D140Q8-R136 PolarHBondContact O-NH2 3.01Å; Q8-R136 VanDerWaalsContact O-NH2 3.16Å; R136-L138 PolarHBondContact O-N 3.07Å; R136-N139 WeakPolarHBondContact CB-O 3.36Å; R136-N139 WeakPolarHBondContact CD-O 3.09Å; R136-D140 PolarHBondContact N-OD1 3.05Å
137R90.7Very high96.9Very high221 Ų22154 Ų5483%0.83426%0.259SS*.SBendtrans-59.7-32.6179.5-177177.7174.8-170.9-0.5113.9
138L89.4Confident96.9Very high149 Ų14952.6 Ų52.678%0.7825%0.254SS*.SBendtrans-105.7-71.6-176-64.3176.4000111.4R136R136-L138 PolarHBondContact O-N 3.07Å
139N92.9Very high96.9Very high123 Ų12352.6 Ų52.666%0.65825%0.254SS*.  trans-130.2124.5-178.2-64.5-35.7000109.5R136R136-N139 WeakPolarHBondContact CB-O 3.36Å; R136-N139 WeakPolarHBondContact CD-O 3.09Å
140D96.3Very high96.8Very high80 Ų8053.9 Ų53.943%0.42826%0.26SS..  trans-63.1148.3173.8-74.39.7000110.6T133 S135 R136T133-D140 HydrophobicContact CG2-CB 4.01Å; S135-D140 VanDerWaalsContact CA-OD1 3.25Å; S135-D140 WeakPolarHBondContact CA-OD1 3.05Å; S135-D140 PolarHBondContact OG-OD2 3.13Å; R136-D140 PolarHBondContact N-OD1 3.05Å
141I96.3Very high96.6Very high29 Ų2956.4 Ų56.415%0.14928%0.276CS..EExtended strand (participates in β ladder)trans-103.1117.7169.9-53.9172.4000105.7A10 I12 T133 V134A10-I141 HydrophobicContact CB-CD1 4.37Å; I12-I141 HydrophobicContact CD1-CB 4.21Å; I12-I141 HydrophobicContact CD1-CG2 3.75Å; I12-I141 VanDerWaalsContact CD1-O 3.22Å; I12-I141 WeakPolarHBondContact CD1-O 3.37Å; I12-I141 HydrophobicContact CG1-CG2 4.13Å; T133-I141 WeakPolarHBondContact CA-O 3.29Å; V134-I141 HydrophobicContact CB-CB 4.39Å; V134-I141 PolarHBondContact N-O 2.73Å; V134-I141 PolarHBondContact O-N 2.79Å
142S97.3Very high96.2Very high72 Ų7257.6 Ų57.650%0.50329%0.286SS..EExtended strand (participates in β ladder)trans-127.4152.7179.161.60000112A132A132-S142 CarbonylContact O-C 3.48Å; A132-S142 WeakPolarHBondContact O-CA 3.36Å
143K98.2Very high95.4Very high107 Ų10760.1 Ų60.147%0.46530%0.303SS..EExtended strand (participates in β ladder)trans-138128.8173.2-179.270.1174.8-175.10108.9I12 R131 A132I12-K143 HydrophobicContact CB-CB 3.82Å; I12-K143 HydrophobicContact CG2-CB 3.86Å; R131-K143 WeakPolarHBondContact CA-O 3.08Å; A132-K143 PolarHBondContact N-O 3.01Å; A132-K143 PolarHBondContact O-N 3.21Å
144E98.2Very high94.4Very high75 Ų7565.9 Ų65.935%0.3534%0.338SS..EExtended strand (participates in β ladder)trans-100.7144.3171.7-66.4-175.1178.300110.8R127 F129 L130 R131R127-E144 IonicContact CZ-OE2 2.73Å; R127-E144 IonicContact NH1-OE2 3.76Å; R127-E144 IonicContact NH2-OE2 3.78Å; R127-E144 PolarHBondContact NH2-OE2 2.89Å; F129-E144 HydrophobicContact CD2-CB 4.3Å; F129-E144 HydrophobicContact CD2-CG 3.86Å; F129-E144 HydrophobicContact CE2-CG 4.12Å; F129-E144 WeakPolarHBondContact CE2-OE1 3.47Å; L130-E144 CarbonylContact O-C 3.46Å; L130-E144 VanDerWaalsContact O-CA 3.28Å; L130-E144 WeakPolarHBondContact O-CA 3.35Å; R131-E144 HydrophobicContact CB-CG 4.19Å; R131-E144 HydrophobicContact CG-CG 4.01Å
145M98.1Very high93.1Very high33 Ų3371.5 Ų71.516%0.16336%0.361CS..EExtended strand (participates in β ladder)trans-129.5110.4168.1179179.26800108.7V14 L16 F38 F129 L130V14-M145 HydrophobicContact CB-CE 4.3Å; V14-M145 HydrophobicContact CB-SD 4.48Å; V14-M145 HydrophobicContact CG1-CE 3.73Å; V14-M145 VanDerWaalsContact O-SD 3.42Å; L16-M145 HydrophobicContact CD1-CE 4.28Å; L16-M145 HydrophobicContact CD2-CE 3.74Å; L16-M145 HydrophobicContact CG-CE 3.77Å; F38-M145 HydrophobicContact CD2-SD 4.47Å; F38-M145 HydrophobicContact CE2-SD 4.36Å; F129-M145 VanDerWaalsContact CA-O 3.29Å; F129-M145 WeakPolarHBondContact CA-O 3.36Å; F129-M145 WeakPolarHBondContact CB-O 3.39Å; L130-M145 HydrophobicContact CB-CE 4.47Å; L130-M145 HydrophobicContact CD1-CE 3.52Å; L130-M145 PolarHBondContact N-O 2.92Å; L130-M145 PolarHBondContact O-N 2.95Å
146D98.3Very high92Very high49 Ų4971.8 Ų71.826%0.26236%0.362SS..EExtended strand (participates in β ladder)trans-68.5144.6175.4-77.7-60.1000112.4Y37 R127Y37-D146 HydrophobicContact CD1-CB 3.73Å; Y37-D146 HydrophobicContact CE1-CB 3.71Å; R127-D146 IonicContact CZ-OD1 2.61Å; R127-D146 IonicContact CZ-OD2 3.91Å; R127-D146 IonicContact NE-OD1 3.83Å; R127-D146 PolarHBondContact NE-OD1 3.01Å; R127-D146 IonicContact NE-OD2 3.96Å; R127-D146 IonicContact NH2-OD1 2.71Å; R127-D146 PolarHBondContact NH2-OD1 2.84Å; R127-D146 IonicContact NH2-OD2 2.97Å; R127-D146 PolarHBondContact NH2-OD2 3.04Å
147I98.3Very high90.7Very high4 Ų477.9 Ų77.92%0.02139%0.393CS..EExtended strand (participates in β ladder)trans-127.5161.516866.2167.5000109.4F38 F40 F70 Y128F38-I147 HydrophobicContact CB-CG2 4.37Å; F40-I147 HydrophobicContact CB-CD1 4.4Å; F40-I147 HydrophobicContact CD2-CB 4.02Å; F40-I147 HydrophobicContact CD2-CD1 3.67Å; F40-I147 HydrophobicContact CD2-CG1 4.41Å; F40-I147 HydrophobicContact CD2-CG2 4.2Å; F40-I147 HydrophobicContact CE2-CB 4.28Å; F40-I147 HydrophobicContact CE2-CD1 4.14Å; F40-I147 HydrophobicContact CE2-CG2 3.95Å; F40-I147 HydrophobicContact CG-CD1 4.13Å; F70-I147 HydrophobicContact CE2-CD1 3.61Å; F70-I147 HydrophobicContact CZ-CD1 4.2Å; Y128-I147 PolarHBondContact O-N 2.82Å
148V98.4Very high89.9Confident4 Ų474.1 Ų74.12%0.02439%0.389CS..EExtended strand (participates in β ladder)trans-112.3134.2175.9168.90000109.2A25 H27 Y37 F38 L39 F40A25-V148 HydrophobicContact CB-CB 4.47Å; A25-V148 HydrophobicContact CB-CG1 4.11Å; H27-V148 HydrophobicContact CB-CG2 3.63Å; Y37-V148 HydrophobicContact CD2-CG2 3.84Å; Y37-V148 HydrophobicContact CG-CG2 3.9Å; F38-V148 PolarHBondContact O-N 2.91Å; L39-V148 CarbonylContact C-O 3.56Å; L39-V148 WeakPolarHBondContact CA-O 3.13Å; L39-V148 HydrophobicContact CD1-CG1 4.32Å; F40-V148 PolarHBondContact N-O 3.32Å
149V98.3Very high89.5Confident0 Ų069.4 Ų69.40%036%0.364CS..EExtended strand (participates in β ladder)trans-109.1132.1174.5176.30000108.6F40 K114 E117 S118 Y128F40-V149 HydrophobicContact CB-CG2 4.48Å; F40-V149 WeakPolarHBondContact O-CA 3.32Å; K114-V149 HydrophobicContact CB-CG1 3.76Å; K114-V149 HydrophobicContact CB-CG2 4.04Å; K114-V149 HydrophobicContact CD-CG1 4.48Å; K114-V149 HydrophobicContact CD-CG2 3.7Å; K114-V149 HydrophobicContact CG-CG2 4.26Å; E117-V149 WeakPolarHBondContact CA-O 3.39Å; E117-V149 WeakPolarHBondContact CG-O 3.39Å; S118-V149 PolarHBondContact N-O 3.5Å; S118-V149 PolarHBondContact OG-N 2.95Å; Y128-V149 HydrophobicContact CD1-CG2 4.22Å; Y128-V149 HydrophobicContact CD2-CB 3.83Å; Y128-V149 HydrophobicContact CD2-CG2 3.38Å; Y128-V149 HydrophobicContact CE1-CG2 4.37Å; Y128-V149 HydrophobicContact CE2-CB 3.65Å; Y128-V149 HydrophobicContact CE2-CG1 4.28Å; Y128-V149 HydrophobicContact CE2-CG2 3.58Å; Y128-V149 HydrophobicContact CG-CG2 3.71Å
150H97.6Very high89.2Confident26 Ų2667.3 Ų67.312%0.1236%0.359CS..  trans-109.3144167.5-77164000110.7L39 F40 Y41 E117L39-H150 HydrophobicContact CD1-CB 3.91Å; L39-H150 WeakPolarHBondContact CD1-ND1 3.37Å; F40-H150 PolarHBondContact O-N 3.33Å; Y41-H150 HydrophobicContact CD1-CB 4.23Å; Y41-H150 VanDerWaalsContact CD1-O 3.28Å; Y41-H150 WeakPolarHBondContact CD1-O 3.32Å; Y41-H150 HydrophobicContact CE1-CB 3.77Å; E117-H150 IonicContact OE1-CD2 2.78Å; E117-H150 WeakPolarHBondContact OE2-CA 3.44Å; E117-H150 IonicContact OE2-CD2 3.26Å
151T94.3Very high88.8Confident54 Ų5466.5 Ų66.533%0.33136%0.36SS..  trans-105.2114.8171.8-55.60000108.6E117 R294E117-T151 PolarHBondContact N-OG1 3.17Å; E117-T151 PolarHBondContact OE2-N 2.91Å; T151-R294 WeakPolarHBondContact O-CB 3.43Å
152L90.1Very high88.6Confident77 Ų7766.5 Ų66.540%0.40336%0.36SS..  trans-84143.5176.5-58.5-177.8000110.1Y41 R294Y41-L152 HydrophobicContact CD1-CD1 3.99Å; Y41-L152 HydrophobicContact CD1-CD2 4.44Å; Y41-L152 HydrophobicContact CD1-CG 3.83Å; Y41-L152 HydrophobicContact CE1-CD1 3.65Å; Y41-L152 HydrophobicContact CE1-CD2 3.69Å; Y41-L152 HydrophobicContact CE1-CG 3.52Å; L152-R294 HydrophobicContact CD2-CG 3.95Å
153S82.8Confident88.5Confident54 Ų5468.4 Ų68.438%0.37836%0.359SS..BIsolated β-bridgetrans-124.4150.9168-50.10000109.9W293 R294S153-W293 WeakPolarHBondContact O-CZ3 3.45Å; S153-R294 PolarHBondContact N-O 2.85Å
154T77.6Confident88.2Confident128 Ų12863.4 Ų63.479%0.78534%0.338SS*.PPolyproline II helixtrans-85.5168.816849.70000110
155Y70.8Confident87.9Confident119 Ų11964.4 Ų64.447%0.46734%0.342SS..PPolyproline II helixtrans-55.6130.8175.3-86-87.5000110E157 W293 K295Y155-E157 PolarHBondContact O-N 2.94Å; Y155-W293 AromaticContact CD1-CH2 3.89Å; Y155-W293 HydrophobicContact CD1-CH2 3.89Å; Y155-W293 AromaticContact CD1-CZ2 3.69Å; Y155-W293 HydrophobicContact CD1-CZ2 3.69Å; Y155-W293 AromaticContact CD2-CH2 3.87Å; Y155-W293 HydrophobicContact CD2-CH2 3.87Å; Y155-W293 AromaticContact CE1-CH2 3.97Å; Y155-W293 HydrophobicContact CE1-CH2 3.97Å; Y155-W293 AromaticContact CE1-CZ2 3.77Å; Y155-W293 HydrophobicContact CE1-CZ2 3.77Å; Y155-W293 AromaticContact CE2-CH2 3.96Å; Y155-W293 HydrophobicContact CE2-CH2 3.96Å; Y155-W293 AromaticContact CG-CH2 3.83Å; Y155-W293 HydrophobicContact CG-CH2 3.83Å; Y155-W293 HydrophobicContact CG-CZ2 4.07Å; Y155-K295 HydrophobicContact CE2-CD 4.22Å; Y155-K295 PolarHBondContact OH-NZ 3.33Å
156P73.8Confident87.5Confident31 Ų3163.4 Ų63.420%0.20134%0.338CS..PPolyproline II helixtrans-64135.5173.424.1-29.8000109.8L158 K182P156-L158 PolarHBondContact O-N 3.44Å; P156-K182 HydrophobicContact CB-CD 3.37Å; P156-K182 HydrophobicContact CG-CB 3.77Å; P156-K182 HydrophobicContact CG-CD 3.4Å; P156-K182 HydrophobicContact CG-CG 4.18Å
157E66.4Low86.9Confident200 Ų20063.7 Ų63.794%0.93535%0.353SS*.SBendtrans-60.5-29.4-176.9-63.6177.2176.900112.9Y155Y155-E157 PolarHBondContact O-N 2.94Å
158L75.2Confident86.4Confident142 Ų14266 Ų6674%0.74336%0.364SS*.  trans-121.8122.8177.3-65.1169.9000110.3P156P156-L158 PolarHBondContact O-N 3.44Å
159N81.2Confident86Confident50 Ų5074 Ų7427%0.26740%0.402SS..  trans-145.286.8176.3-153.3-0000109.5K180 S181 K182N159-K180 WeakPolarHBondContact ND2-CG 3.21Å; N159-K180 WeakPolarHBondContact OD1-CA 3.43Å; N159-K180 WeakPolarHBondContact OD1-CB 3.23Å; N159-S181 PolarHBondContact OD1-N 2.92Å; N159-S181 PolarHBondContact OD1-OG 3.36Å; N159-K182 PolarHBondContact ND2-O 2.92Å; N159-K182 PolarHBondContact OD1-N 2.87Å; N159-K182 VanDerWaalsContact OD1-N 3.12Å
160S85.6Confident85.4Confident79 Ų7978.8 Ų78.855%0.55243%0.427SS*.  trans-86.3160.1178.860.80000111.5K180 S181S160-K180 CarbonylContact O-C 3.59Å; S160-K180 WeakPolarHBondContact O-CA 3.37Å; S160-S181 PolarHBondContact O-N 2.95Å
161S88.9Confident85Confident63 Ų6379.7 Ų79.744%0.44144%0.436SS..  trans-62.1152.1163.359.50000110.3Y178S161-Y178 CarbonylContact C-O 3.57Å; S161-Y178 WeakPolarHBondContact CA-O 3.32Å; S161-Y178 VanDerWaalsContact CB-O 3.32Å; S161-Y178 WeakPolarHBondContact CB-O 3.17Å
162I92.4Very high84.9Confident29 Ų2977.3 Ų77.315%0.14942%0.421CS..EExtended strand (participates in β ladder)trans-121.1141.8173.8-64.5-178.6000107.8E177 Y178 Q288I162-E177 CarbonylContact O-C 3.58Å; I162-E177 WeakPolarHBondContact O-CA 3.43Å; I162-Y178 HydrophobicContact CB-CD2 4.16Å; I162-Y178 HydrophobicContact CB-CE1 3.97Å; I162-Y178 HydrophobicContact CB-CE2 3.61Å; I162-Y178 VanDerWaalsContact CB-CZ 3.5Å; I162-Y178 HydrophobicContact CD1-CE2 3.8Å; I162-Y178 WeakPolarHBondContact CD1-OH 3.09Å; I162-Y178 HydrophobicContact CG1-CE2 4.04Å; I162-Y178 HydrophobicContact CG2-CE1 3.87Å; I162-Y178 HydrophobicContact CG2-CE2 4.22Å; I162-Y178 WeakPolarHBondContact CG2-OH 3.31Å; I162-Y178 PolarHBondContact N-O 2.86Å; I162-Y178 PolarHBondContact O-N 2.84Å; I162-Q288 HydrophobicContact CG2-CG 4.09Å
163K93.7Very high85.1Confident112 Ų11276.6 Ų76.649%0.48742%0.416SS..EExtended strand (participates in β ladder)trans-111.4128.2169.5-65.6176.1173.1-122.60109E175 E177K163-E175 HydrophobicContact CB-CG 4.44Å; K163-E175 VanDerWaalsContact CD-OE1 3.3Å; K163-E175 WeakPolarHBondContact CD-OE1 3.43Å; K163-E175 WeakPolarHBondContact CE-OE1 3.15Å; K163-E175 IonicContact NZ-OE1 3.87Å; K163-E175 PolarHBondContact NZ-OE1 3.45Å; K163-E175 IonicContact NZ-OE2 2.82Å; K163-E177 HydrophobicContact CG-CB 4.25Å; K163-E177 HydrophobicContact CG-CG 4.06Å
164M92.9Very high85.6Confident3 Ų374 Ų742%0.01540%0.398CS..EExtended strand (participates in β ladder)trans-119.7122.6175.3179.4169.959.200108.5F176 L274 K286 Q288M164-F176 HydrophobicContact CE-CD1 3.68Å; M164-F176 HydrophobicContact CE-CE1 4.38Å; M164-F176 PolarHBondContact N-O 2.92Å; M164-F176 PolarHBondContact O-N 3.36Å; M164-L274 HydrophobicContact CE-CB 3.56Å; M164-K286 HydrophobicContact CG-CB 4Å; M164-K286 HydrophobicContact CG-CG 3.39Å; M164-K286 VanDerWaalsContact SD-C 3.6Å; M164-K286 HydrophobicContact SD-CB 3.9Å; M164-K286 HydrophobicContact SD-CG 3.6Å; M164-Q288 HydrophobicContact SD-CB 3.69Å
165E90.8Very high86.4Confident95 Ų9568.9 Ų68.944%0.44437%0.365SS..EExtended strand (participates in β ladder)trans-114.5136.6-174.6-68.2168.2-162.800111.3H173 I174 E175E165-H173 IonicContact OE2-NE2 3.98Å; E165-I174 WeakPolarHBondContact CA-O 3.29Å; E165-E175 HydrophobicContact CG-CB 4.19Å; E165-E175 HydrophobicContact CG-CG 4Å
166V90Very high87.6Confident12 Ų1263.2 Ų63.27%0.07334%0.343CS..EExtended strand (participates in β ladder)trans-112.3110.2165.8-179.90000106.9L172 I174 L274 L276 K286V166-L172 HydrophobicContact CG1-CD2 4.49Å; V166-I174 PolarHBondContact N-O 2.82Å; V166-I174 PolarHBondContact O-N 3.01Å; V166-L274 HydrophobicContact CG2-CD2 3.91Å; V166-L274 HydrophobicContact CG2-CG 4.49Å; V166-L276 HydrophobicContact CB-CD1 4.12Å; V166-L276 HydrophobicContact CG1-CD1 3.98Å; V166-L276 HydrophobicContact CG2-CD1 3.9Å; V166-K286 HydrophobicContact CG2-CB 3.55Å
167G86.4Confident88.7Confident56 Ų5664 Ų6458%0.57734%0.344SS*.EExtended strand (participates in β ladder)trans-125.1131.3-177.200000111.6L172G167-L172 CarbonylContact C-O 3.55Å; G167-L172 VanDerWaalsContact CA-O 3.3Å; G167-L172 WeakPolarHBondContact CA-O 3.01Å
168I87.6Confident90.1Very high51 Ų5154.6 Ų54.626%0.26230%0.3SS..EExtended strand (participates in β ladder)trans-120.6123.7163.5-52.8168.2000105.5D170 C171 L172 I200 Y284I168-D170 PolarHBondContact O-N 3.12Å; I168-C171 HydrophobicContact CB-CB 4.06Å; I168-C171 HydrophobicContact CG2-CB 3.85Å; I168-C171 PolarHBondContact O-N 2.89Å; I168-L172 HydrophobicContact CB-CB 4.17Å; I168-L172 HydrophobicContact CD1-CB 4.06Å; I168-L172 HydrophobicContact CD1-CD2 4.17Å; I168-L172 HydrophobicContact CG1-CB 4.22Å; I168-L172 PolarHBondContact N-O 2.67Å; I168-L172 PolarHBondContact O-N 2.99Å; I168-I200 HydrophobicContact CD1-CD1 3.98Å; I168-Y284 HydrophobicContact CD1-CD1 3.65Å; I168-Y284 HydrophobicContact CD1-CE1 3.17Å; I168-Y284 HydrophobicContact CD1-CE2 4.17Å; I168-Y284 HydrophobicContact CD1-CG 4.31Å; I168-Y284 VanDerWaalsContact CD1-CZ 3.45Å; I168-Y284 HydrophobicContact CG1-CD1 4.33Å; I168-Y284 HydrophobicContact CG1-CE1 4.16Å
169E88.7Confident91.1Very high172 Ų17250.6 Ų50.680%0.80428%0.279SS*.THydrogen-bonded Turntrans-49131.3-179.2-169.7171.4-164.200111C171E169-C171 PolarHBondContact O-N 3.44Å
170D87.6Confident91.7Very high101 Ų10150.3 Ų50.354%0.5428%0.275SS..THydrogen-bonded Turntrans55.83.2-178.7-72.4-43.6000117.7I168 R199I168-D170 PolarHBondContact O-N 3.12Å; D170-R199 WeakPolarHBondContact O-CD 3.47Å; D170-R199 PolarHBondContact O-NH1 3.04Å
171C89.1Confident92Very high46 Ų4647.7 Ų47.731%0.31126%0.257SS..THydrogen-bonded Turntrans-122.3-45.9-170.8-780000113.6I168 E169 R199 I200I168-C171 HydrophobicContact CB-CB 4.06Å; I168-C171 HydrophobicContact CG2-CB 3.85Å; I168-C171 PolarHBondContact O-N 2.89Å; E169-C171 PolarHBondContact O-N 3.44Å; C171-R199 WeakPolarHBondContact O-CA 3.39Å; C171-R199 WeakPolarHBondContact O-CB 3.45Å; C171-R199 PolarHBondContact O-N 2.85Å; C171-I200 HydrophobicContact CB-CD1 3.77Å; C171-I200 HydrophobicContact CB-CG1 4.03Å
172L91.2Very high92.3Very high3 Ų348 Ų482%0.01625%0.25CS..EExtended strand (participates in β ladder)trans-149.3132.7-172.2-173.467.4000109.8V166 G167 I168 I174 L197 I202V166-L172 HydrophobicContact CG1-CD2 4.49Å; G167-L172 CarbonylContact C-O 3.55Å; G167-L172 VanDerWaalsContact CA-O 3.3Å; G167-L172 WeakPolarHBondContact CA-O 3.01Å; I168-L172 HydrophobicContact CB-CB 4.17Å; I168-L172 HydrophobicContact CD1-CB 4.06Å; I168-L172 HydrophobicContact CD1-CD2 4.17Å; I168-L172 HydrophobicContact CG1-CB 4.22Å; I168-L172 PolarHBondContact N-O 2.67Å; I168-L172 PolarHBondContact O-N 2.99Å; L172-I174 HydrophobicContact CD1-CD1 3.71Å; L172-I174 HydrophobicContact CD1-CG1 4.06Å; L172-I174 HydrophobicContact CG-CD1 4.27Å; L172-I174 HydrophobicContact CG-CG1 4.43Å; L172-L197 CarbonylContact C-O 3.55Å; L172-L197 WeakPolarHBondContact CA-O 3.44Å; L172-I202 HydrophobicContact CD1-CD1 4.07Å
173H93.7Very high92.5Very high62 Ų6246.6 Ų46.629%0.28724%0.243SC..EExtended strand (participates in β ladder)trans-146.5107.5170.6-171.3-175.5000108.6E165 L196 L197E165-H173 IonicContact OE2-NE2 3.98Å; H173-L196 HydrophobicContact CB-CB 4.17Å; H173-L196 WeakPolarHBondContact O-CA 3.43Å; H173-L196 WeakPolarHBondContact O-CB 3.43Å; H173-L196 PolarHBondContact O-N 2.99Å; H173-L197 HydrophobicContact CB-CB 3.76Å; H173-L197 PolarHBondContact N-O 3.3Å; H173-L197 PolarHBondContact O-N 3.05Å
174I93.7Very high92.6Very high0 Ų042.6 Ų42.60%023%0.227CC..EExtended strand (participates in β ladder)trans-122.6131.1178.7-66.8172.2000108.6E165 V166 L172 I193 Y194 F195 I202 L274 L276E165-I174 WeakPolarHBondContact CA-O 3.29Å; V166-I174 PolarHBondContact N-O 2.82Å; V166-I174 PolarHBondContact O-N 3.01Å; L172-I174 HydrophobicContact CD1-CD1 3.71Å; L172-I174 HydrophobicContact CD1-CG1 4.06Å; L172-I174 HydrophobicContact CG-CD1 4.27Å; L172-I174 HydrophobicContact CG-CG1 4.43Å; I174-I193 HydrophobicContact CG2-CG2 3.59Å; I174-Y194 WeakPolarHBondContact CA-O 3.1Å; I174-F195 HydrophobicContact CD1-CD1 3.65Å; I174-F195 HydrophobicContact CD1-CE1 3.65Å; I174-F195 HydrophobicContact CG1-CD1 3.71Å; I174-F195 HydrophobicContact CG1-CE1 4.12Å; I174-I202 HydrophobicContact CD1-CD1 3.65Å; I174-L274 HydrophobicContact CG2-CD2 4.48Å; I174-L276 HydrophobicContact CD1-CD2 3.31Å
175E95.3Very high92.7Very high21 Ų2143.4 Ų43.410%0.09823%0.231CC..EExtended strand (participates in β ladder)trans-111.9126.4176.2-175.4-174.2135.600108.9K163 E165 I193 Y194 L196K163-E175 HydrophobicContact CB-CG 4.44Å; K163-E175 VanDerWaalsContact CD-OE1 3.3Å; K163-E175 WeakPolarHBondContact CD-OE1 3.43Å; K163-E175 WeakPolarHBondContact CE-OE1 3.15Å; K163-E175 IonicContact NZ-OE1 3.87Å; K163-E175 PolarHBondContact NZ-OE1 3.45Å; K163-E175 IonicContact NZ-OE2 2.82Å; E165-E175 HydrophobicContact CG-CB 4.19Å; E165-E175 HydrophobicContact CG-CG 4Å; E175-I193 CarbonylContact O-C 3.51Å; E175-I193 WeakPolarHBondContact O-CA 3.29Å; E175-Y194 HydrophobicContact CB-CD2 4.43Å; E175-Y194 PolarHBondContact N-O 2.79Å; E175-Y194 PolarHBondContact O-N 3.2Å; E175-L196 HydrophobicContact CB-CD1 4.26Å
176F96.1Very high92.9Very high0 Ų046.6 Ų46.60%024%0.243CC..EExtended strand (participates in β ladder)trans-108.4112.2167.2173.5-135000109.5M164 Y178 I193 I207 I246 L272 L274M164-F176 HydrophobicContact CE-CD1 3.68Å; M164-F176 HydrophobicContact CE-CE1 4.38Å; M164-F176 PolarHBondContact N-O 2.92Å; M164-F176 PolarHBondContact O-N 3.36Å; F176-Y178 AromaticContact CD1-CD1 3.83Å; F176-Y178 HydrophobicContact CD1-CD1 3.83Å; F176-Y178 HydrophobicContact CD1-CE1 4.28Å; F176-Y178 AromaticContact CE1-CD1 3.47Å; F176-Y178 HydrophobicContact CE1-CD1 3.47Å; F176-Y178 VanDerWaalsContact CE1-CD1 3.47Å; F176-Y178 HydrophobicContact CE1-CE1 4.08Å; F176-Y178 HydrophobicContact CE1-CG 4.26Å; F176-Y178 HydrophobicContact CE2-CD1 4.48Å; F176-Y178 HydrophobicContact CG-CD1 4.47Å; F176-Y178 AromaticContact CZ-CD1 3.83Å; F176-Y178 HydrophobicContact CZ-CD1 3.83Å; F176-Y178 HydrophobicContact CZ-CG 4.23Å; F176-I193 HydrophobicContact CB-CG1 4.25Å; F176-I193 HydrophobicContact CD2-CG1 3.69Å; F176-I193 HydrophobicContact CE2-CG1 4.47Å; F176-I193 HydrophobicContact CG-CG1 4.24Å; F176-I207 HydrophobicContact CD1-CD1 4.19Å; F176-I207 HydrophobicContact CD2-CD1 4.32Å; F176-I207 HydrophobicContact CE1-CD1 3.81Å; F176-I207 HydrophobicContact CE2-CD1 3.95Å; F176-I207 HydrophobicContact CG-CD1 4.45Å; F176-I207 HydrophobicContact CZ-CD1 3.69Å; F176-I246 HydrophobicContact CE2-CB 4.32Å; F176-I246 HydrophobicContact CE2-CG1 4.23Å; F176-L272 HydrophobicContact CE1-CD1 4.11Å; F176-L274 HydrophobicContact CB-CD2 4.16Å
177E96.9Very high93.2Very high48 Ų4846.9 Ų46.922%0.22424%0.244CC..EExtended strand (participates in β ladder)trans-101.4133.9175.3-176.4177.2-152.600109.9I162 K163 G191 K192 Y194I162-E177 CarbonylContact O-C 3.58Å; I162-E177 WeakPolarHBondContact O-CA 3.43Å; K163-E177 HydrophobicContact CG-CB 4.25Å; K163-E177 HydrophobicContact CG-CG 4.06Å; E177-G191 CarbonylContact O-C 3.5Å; E177-G191 WeakPolarHBondContact O-CA 3.47Å; E177-K192 PolarHBondContact N-O 3.44Å; E177-K192 PolarHBondContact O-N 3.38Å; E177-Y194 HydrophobicContact CB-CE2 4Å; E177-Y194 PolarHBondContact OE2-OH 3.22Å
178Y96.2Very high93.7Very high2 Ų245.8 Ų45.81%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-136.9153174.656.6-92.2000112.4S161 I162 F176 K180 Y183 V190 L272 Q288 I290S161-Y178 CarbonylContact C-O 3.57Å; S161-Y178 WeakPolarHBondContact CA-O 3.32Å; S161-Y178 VanDerWaalsContact CB-O 3.32Å; S161-Y178 WeakPolarHBondContact CB-O 3.17Å; I162-Y178 HydrophobicContact CB-CD2 4.16Å; I162-Y178 HydrophobicContact CB-CE1 3.97Å; I162-Y178 HydrophobicContact CB-CE2 3.61Å; I162-Y178 VanDerWaalsContact CB-CZ 3.5Å; I162-Y178 HydrophobicContact CD1-CE2 3.8Å; I162-Y178 WeakPolarHBondContact CD1-OH 3.09Å; I162-Y178 HydrophobicContact CG1-CE2 4.04Å; I162-Y178 HydrophobicContact CG2-CE1 3.87Å; I162-Y178 HydrophobicContact CG2-CE2 4.22Å; I162-Y178 WeakPolarHBondContact CG2-OH 3.31Å; I162-Y178 PolarHBondContact N-O 2.86Å; I162-Y178 PolarHBondContact O-N 2.84Å; F176-Y178 AromaticContact CD1-CD1 3.83Å; F176-Y178 HydrophobicContact CD1-CD1 3.83Å; F176-Y178 HydrophobicContact CD1-CE1 4.28Å; F176-Y178 AromaticContact CE1-CD1 3.47Å; F176-Y178 HydrophobicContact CE1-CD1 3.47Å; F176-Y178 VanDerWaalsContact CE1-CD1 3.47Å; F176-Y178 HydrophobicContact CE1-CE1 4.08Å; F176-Y178 HydrophobicContact CE1-CG 4.26Å; F176-Y178 HydrophobicContact CE2-CD1 4.48Å; F176-Y178 HydrophobicContact CG-CD1 4.47Å; F176-Y178 AromaticContact CZ-CD1 3.83Å; F176-Y178 HydrophobicContact CZ-CD1 3.83Å; F176-Y178 HydrophobicContact CZ-CG 4.23Å; Y178-K180 WeakPolarHBondContact CD2-O 3.47Å; Y178-K180 WeakPolarHBondContact CE2-O 3.47Å; Y178-K180 PolarHBondContact O-N 2.8Å; Y178-Y183 WeakPolarHBondContact CD2-OH 3.37Å; Y178-V190 WeakPolarHBondContact CA-O 3.39Å; Y178-L272 HydrophobicContact CD1-CD1 4.15Å; Y178-L272 HydrophobicContact CD2-CD1 4.29Å; Y178-L272 HydrophobicContact CE1-CD1 4.01Å; Y178-L272 HydrophobicContact CE2-CD1 4.1Å; Y178-L272 HydrophobicContact CG-CD1 4.27Å; Y178-Q288 WeakPolarHBondContact OH-CG 3.07Å; Y178-I290 HydrophobicContact CE2-CG2 4.1Å
179N94.3Very high94.1Very high57 Ų5743.4 Ų43.431%0.30521%0.214SC..SBendtrans-72.7-21.9-159.164.6-38.5000115.9Y183 V190N179-Y183 PolarHBondContact OD1-OH 2.94Å; N179-V190 HydrophobicContact CB-CB 4.48Å; N179-V190 WeakPolarHBondContact CB-O 3.32Å; N179-V190 PolarHBondContact N-O 2.95Å; N179-V190 PolarHBondContact OD1-N 3.16Å; N179-V190 PolarHBondContact OD1-O 3Å
180K94.2Very high94.5Very high44 Ų4438 Ų3819%0.19119%0.193CC..  trans-146.4151.7-172.9-63.9168.7-172.7166.80111.6N159 S160 Y178 Y183 D187N159-K180 WeakPolarHBondContact ND2-CG 3.21Å; N159-K180 WeakPolarHBondContact OD1-CA 3.43Å; N159-K180 WeakPolarHBondContact OD1-CB 3.23Å; S160-K180 CarbonylContact O-C 3.59Å; S160-K180 WeakPolarHBondContact O-CA 3.37Å; Y178-K180 WeakPolarHBondContact CD2-O 3.47Å; Y178-K180 WeakPolarHBondContact CE2-O 3.47Å; Y178-K180 PolarHBondContact O-N 2.8Å; K180-Y183 HydrophobicContact CB-CD1 4.26Å; K180-Y183 HydrophobicContact CB-CE1 3.66Å; K180-Y183 HydrophobicContact CB-CE2 4.04Å; K180-Y183 HydrophobicContact CD-CD1 3.97Å; K180-Y183 HydrophobicContact CD-CE1 3.79Å; K180-Y183 HydrophobicContact CG-CE1 4.21Å; K180-Y183 PolarHBondContact N-OH 2.71Å; K180-Y183 VanDerWaalsContact N-OH 3.15Å; K180-Y183 WeakPolarHBondContact O-CE2 3.14Å; K180-Y183 PolarHBondContact O-OH 2.8Å; K180-D187 VanDerWaalsContact NZ-CG 3.28Å; K180-D187 IonicContact NZ-OD1 3.15Å; K180-D187 PolarHBondContact NZ-OD1 2.8Å; K180-D187 IonicContact NZ-OD2 3.04Å; K180-D187 PolarHBondContact NZ-OD2 2.89Å
181S93.1Very high94.9Very high25 Ų2533.9 Ų33.918%0.17517%0.174CC..SBendtrans-89.9-18.7167.963.20000113.3N159 S160 T291N159-S181 PolarHBondContact OD1-N 2.92Å; N159-S181 PolarHBondContact OD1-OG 3.36Å; S160-S181 PolarHBondContact O-N 2.95Å; S181-T291 PolarHBondContact O-N 2.87Å
182K94.9Very high95.3Very high68 Ų6835.3 Ų35.330%0.29618%0.175SC..EExtended strand (participates in β ladder)trans-130.3127.7-174.9-52175.6179.3160.40110.4P156 N159 T291P156-K182 HydrophobicContact CB-CD 3.37Å; P156-K182 HydrophobicContact CG-CB 3.77Å; P156-K182 HydrophobicContact CG-CD 3.4Å; P156-K182 HydrophobicContact CG-CG 4.18Å; N159-K182 PolarHBondContact ND2-O 2.92Å; N159-K182 PolarHBondContact OD1-N 2.87Å; N159-K182 VanDerWaalsContact OD1-N 3.12Å; K182-T291 CarbonylContact C-O 3.56Å; K182-T291 VanDerWaalsContact CA-O 3.24Å; K182-T291 WeakPolarHBondContact CA-O 3.27Å
183Y95.7Very high95.5Very high0 Ų035.1 Ų35.10%017%0.174CC..EExtended strand (participates in β ladder)trans-128.4140.5-175.7-64.2-87.4000110.9Y178 N179 K180 D187 I189 L250 I290 T291 L292 W293Y178-Y183 WeakPolarHBondContact CD2-OH 3.37Å; N179-Y183 PolarHBondContact OD1-OH 2.94Å; K180-Y183 HydrophobicContact CB-CD1 4.26Å; K180-Y183 HydrophobicContact CB-CE1 3.66Å; K180-Y183 HydrophobicContact CB-CE2 4.04Å; K180-Y183 HydrophobicContact CD-CD1 3.97Å; K180-Y183 HydrophobicContact CD-CE1 3.79Å; K180-Y183 HydrophobicContact CG-CE1 4.21Å; K180-Y183 PolarHBondContact N-OH 2.71Å; K180-Y183 VanDerWaalsContact N-OH 3.15Å; K180-Y183 WeakPolarHBondContact O-CE2 3.14Å; K180-Y183 PolarHBondContact O-OH 2.8Å; Y183-D187 HydrophobicContact CD1-CB 4.06Å; Y183-I189 HydrophobicContact CD1-CG1 3.96Å; Y183-I189 HydrophobicContact CD2-CD1 4.44Å; Y183-I189 HydrophobicContact CD2-CG1 4.22Å; Y183-I189 HydrophobicContact CE1-CB 4.12Å; Y183-I189 HydrophobicContact CE1-CG1 3.73Å; Y183-I189 HydrophobicContact CE1-CG2 4.42Å; Y183-I189 HydrophobicContact CE2-CD1 4.28Å; Y183-I189 HydrophobicContact CE2-CG1 4.01Å; Y183-I189 HydrophobicContact CG-CG1 4.2Å; Y183-L250 HydrophobicContact CG-CD1 4.2Å; Y183-I290 HydrophobicContact CD2-CB 4.35Å; Y183-I290 HydrophobicContact CD2-CG2 4.49Å; Y183-I290 HydrophobicContact CE2-CG2 4.19Å; Y183-T291 PolarHBondContact N-O 3.12Å; Y183-L292 CarbonylContact O-C 3.58Å; Y183-L292 VanDerWaalsContact O-CA 3.29Å; Y183-L292 WeakPolarHBondContact O-CA 3.37Å; Y183-W293 PolarHBondContact O-N 3.03Å; Y183-W293 PolarHBondContact O-NE1 2.83Å
184H95.5Very high95.6Very high29 Ų2935.3 Ų35.313%0.13417%0.172CC..EExtended strand (participates in β ladder)trans-75.9158.9168.264.987.6000110.7K186 D187 W293 K295H184-K186 PolarHBondContact CE1-O 3.47Å; H184-K186 PolarHBondContact ND1-N 2.75Å; H184-K186 PolarHBondContact O-N 2.69Å; H184-D187 IonicContact CD2-OD2 2.94Å; H184-D187 PolarHBondContact CD2-OD2 2.88Å; H184-D187 VanDerWaalsContact CE1-CA 3.43Å; H184-D187 WeakPolarHBondContact CE1-CA 3.47Å; H184-D187 PolarHBondContact CE1-N 2.8Å; H184-D187 PolarHBondContact ND1-N 2.88Å; H184-D187 IonicContact NE2-OD1 2.76Å; H184-D187 IonicContact NE2-OD2 3.47Å; H184-D187 VanDerWaalsContact O-CB 3.23Å; H184-D187 WeakPolarHBondContact O-CB 3.09Å; H184-D187 PolarHBondContact O-N 3.15Å; H184-W293 CarbonylContact C-O 3.56Å; H184-W293 WeakPolarHBondContact CA-O 3.44Å; H184-W293 HydrophobicContact CB-CD2 3.99Å; H184-W293 HydrophobicContact CB-CE3 4.26Å; H184-W293 HydrophobicContact CB-CH2 4.11Å; H184-W293 HydrophobicContact CB-CZ2 3.79Å; H184-W293 HydrophobicContact CB-CZ3 4.33Å; H184-K295 HydrophobicContact CB-CB 3.86Å
185L95.8Very high95.6Very high20 Ų2035.3 Ų35.311%0.10517%0.173CC..THydrogen-bonded Turntrans-57.5-12.2-176-60.2179.1000116.2L250 M255 T256 P257 L292 W293 R294L185-L250 CarbonylContact O-C 3.54Å; L185-M255 HydrophobicContact CD2-CB 4.13Å; L185-T256 WeakPolarHBondContact CD2-O 3.34Å; L185-P257 HydrophobicContact CD1-CG 4.27Å; L185-L292 HydrophobicContact CD2-CB 4.01Å; L185-L292 HydrophobicContact CD2-CD1 4.36Å; L185-W293 PolarHBondContact N-O 2.8Å; L185-R294 HydrophobicContact CD1-CB 4.23Å; L185-R294 HydrophobicContact CD1-CG 4.37Å
186K95.1Very high95.5Very high161 Ų16137.6 Ų37.670%0.719%0.185SC*.THydrogen-bonded Turntrans-121.714.5179-61.6-176.2178.1179.90112.5H184 A251H184-K186 PolarHBondContact CE1-O 3.47Å; H184-K186 PolarHBondContact ND1-N 2.75Å; H184-K186 PolarHBondContact O-N 2.69Å; K186-A251 HydrophobicContact CB-CB 4.08Å; K186-A251 HydrophobicContact CG-CB 4.18Å
187D95.8Very high95.4Very high18 Ų1839.5 Ų39.510%0.09620%0.195CC..  trans-77.1179.5-177.5-150.2-24.1000110.3K180 Y183 H184 L250K180-D187 VanDerWaalsContact NZ-CG 3.28Å; K180-D187 IonicContact NZ-OD1 3.15Å; K180-D187 PolarHBondContact NZ-OD1 2.8Å; K180-D187 IonicContact NZ-OD2 3.04Å; K180-D187 PolarHBondContact NZ-OD2 2.89Å; Y183-D187 HydrophobicContact CD1-CB 4.06Å; H184-D187 IonicContact CD2-OD2 2.94Å; H184-D187 PolarHBondContact CD2-OD2 2.88Å; H184-D187 VanDerWaalsContact CE1-CA 3.43Å; H184-D187 WeakPolarHBondContact CE1-CA 3.47Å; H184-D187 PolarHBondContact CE1-N 2.8Å; H184-D187 PolarHBondContact ND1-N 2.88Å; H184-D187 IonicContact NE2-OD1 2.76Å; H184-D187 IonicContact NE2-OD2 3.47Å; H184-D187 VanDerWaalsContact O-CB 3.23Å; H184-D187 WeakPolarHBondContact O-CB 3.09Å; H184-D187 PolarHBondContact O-N 3.15Å; D187-L250 HydrophobicContact CB-CD1 4.33Å; D187-L250 VanDerWaalsContact O-CB 3.22Å; D187-L250 WeakPolarHBondContact O-CB 3.24Å; D187-L250 WeakPolarHBondContact O-CG 3.43Å; D187-L250 PolarHBondContact O-N 3.13Å
188V96.7Very high95.1Very high34 Ų3438.7 Ų38.721%0.20619%0.193CC..EExtended strand (participates in β ladder)trans-122.6126172.8-174.50000108.5V190 R247 L248 F249V188-V190 HydrophobicContact CB-CG2 4.4Å; V188-V190 HydrophobicContact CG1-CG2 3.99Å; V188-V190 PolarHBondContact O-N 2.87Å; V188-R247 HydrophobicContact CG1-CB 4.3Å; V188-L248 CarbonylContact C-O 3.54Å; V188-L248 WeakPolarHBondContact CA-O 3.03Å; V188-L248 WeakPolarHBondContact CG1-O 3.48Å; V188-F249 HydrophobicContact CG1-CD1 4.29Å; V188-F249 HydrophobicContact CG1-CE1 4.32Å; V188-F249 HydrophobicContact CG1-CG 4.48Å; V188-F249 HydrophobicContact CG2-CD1 3.44Å; V188-F249 VanDerWaalsContact CG2-CD1 3.44Å; V188-F249 HydrophobicContact CG2-CE1 3.67Å; V188-F249 HydrophobicContact CG2-CG 4.23Å
189I96.7Very high94.9Very high0 Ų046.7 Ų46.70%022%0.223CC..EExtended strand (participates in β ladder)trans-77.7113.1169.6-55.2-176.6000106.7Y183 R247 L248 L250 L272 I290Y183-I189 HydrophobicContact CD1-CG1 3.96Å; Y183-I189 HydrophobicContact CD2-CD1 4.44Å; Y183-I189 HydrophobicContact CD2-CG1 4.22Å; Y183-I189 HydrophobicContact CE1-CB 4.12Å; Y183-I189 HydrophobicContact CE1-CG1 3.73Å; Y183-I189 HydrophobicContact CE1-CG2 4.42Å; Y183-I189 HydrophobicContact CE2-CD1 4.28Å; Y183-I189 HydrophobicContact CE2-CG1 4.01Å; Y183-I189 HydrophobicContact CG-CG1 4.2Å; I189-R247 WeakPolarHBondContact O-CA 3.26Å; I189-L248 HydrophobicContact CB-CB 4.13Å; I189-L248 PolarHBondContact N-O 3.5Å; I189-L248 PolarHBondContact O-N 3.03Å; I189-L250 HydrophobicContact CD1-CD2 3.89Å; I189-L250 HydrophobicContact CG1-CD1 4.27Å; I189-L250 HydrophobicContact CG1-CD2 4.04Å; I189-L250 HydrophobicContact CG1-CG 4.28Å; I189-L272 HydrophobicContact CD1-CD1 4.15Å; I189-L272 HydrophobicContact CD1-CD2 3.77Å; I189-L272 HydrophobicContact CD1-CG 4.4Å; I189-L272 HydrophobicContact CG2-CD1 4.22Å; I189-I290 HydrophobicContact CD1-CD1 3.94Å
190V96.9Very high94.7Very high60 Ų6045.3 Ų45.336%0.36422%0.216SC..EExtended strand (participates in β ladder)trans-109.3121.5178.4-177.30000107.4Y178 N179 V188 I246Y178-V190 WeakPolarHBondContact CA-O 3.39Å; N179-V190 HydrophobicContact CB-CB 4.48Å; N179-V190 WeakPolarHBondContact CB-O 3.32Å; N179-V190 PolarHBondContact N-O 2.95Å; N179-V190 PolarHBondContact OD1-N 3.16Å; N179-V190 PolarHBondContact OD1-O 3Å; V188-V190 HydrophobicContact CB-CG2 4.4Å; V188-V190 HydrophobicContact CG1-CG2 3.99Å; V188-V190 PolarHBondContact O-N 2.87Å; V190-I246 WeakPolarHBondContact CA-O 3.36Å
191G96.7Very high94.4Very high13 Ų1348.9 Ų48.913%0.13423%0.231CC..EExtended strand (participates in β ladder)trans-149.4-176.4-178.300000113E177 I246E177-G191 CarbonylContact O-C 3.5Å; E177-G191 WeakPolarHBondContact O-CA 3.47Å; G191-I246 PolarHBondContact N-O 2.99Å; G191-I246 PolarHBondContact O-N 2.9Å
192K96.2Very high94.3Very high76 Ų7648 Ų4833%0.3323%0.225SC..EExtended strand (participates in β ladder)trans-151.3134-179.8-171.2164.8173.2-175.60109.4E177 Y194 S243 I244E177-K192 PolarHBondContact N-O 3.44Å; E177-K192 PolarHBondContact O-N 3.38Å; K192-Y194 HydrophobicContact CB-CE2 4.05Å; K192-Y194 HydrophobicContact CD-CE1 3.72Å; K192-Y194 HydrophobicContact CD-CE2 4.43Å; K192-Y194 VanDerWaalsContact CE-CE1 3.5Å; K192-Y194 HydrophobicContact CG-CD1 4.5Å; K192-Y194 HydrophobicContact CG-CE1 3.98Å; K192-Y194 HydrophobicContact CG-CE2 4.08Å; K192-S243 WeakPolarHBondContact CE-OG 3.2Å; K192-S243 PolarHBondContact NZ-OG 3.35Å; K192-I244 WeakPolarHBondContact CA-O 3.48Å
193I95.8Very high94.1Very high0 Ų049.5 Ų49.50%023%0.231CC..EExtended strand (participates in β ladder)trans-97.2134.8173.7-60.8175.8000108.1I174 E175 F176 F195 M205 I207 I233 S243 I244 I246 L274I174-I193 HydrophobicContact CG2-CG2 3.59Å; E175-I193 CarbonylContact O-C 3.51Å; E175-I193 WeakPolarHBondContact O-CA 3.29Å; F176-I193 HydrophobicContact CB-CG1 4.25Å; F176-I193 HydrophobicContact CD2-CG1 3.69Å; F176-I193 HydrophobicContact CE2-CG1 4.47Å; F176-I193 HydrophobicContact CG-CG1 4.24Å; I193-F195 HydrophobicContact CG2-CE1 4.28Å; I193-F195 HydrophobicContact CG2-CE2 4.08Å; I193-F195 HydrophobicContact CG2-CZ 3.89Å; I193-M205 HydrophobicContact CD1-CE 3.76Å; I193-M205 HydrophobicContact CD1-SD 4.23Å; I193-M205 HydrophobicContact CG2-CE 4.33Å; I193-M205 HydrophobicContact CG2-SD 4.49Å; I193-I207 HydrophobicContact CD1-CD1 4.17Å; I193-I233 HydrophobicContact CD1-CD1 3.37Å; I193-I233 HydrophobicContact CD1-CG1 4.36Å; I193-I233 HydrophobicContact CD1-CG2 4.28Å; I193-S243 CarbonylContact O-C 3.51Å; I193-S243 WeakPolarHBondContact O-CA 3.46Å; I193-S243 WeakPolarHBondContact O-CB 2.87Å; I193-I244 PolarHBondContact N-O 2.92Å; I193-I244 PolarHBondContact O-N 3Å; I193-I246 HydrophobicContact CD1-CD1 4.07Å; I193-I246 HydrophobicContact CD1-CG1 4.09Å; I193-I246 HydrophobicContact CG1-CG1 4.06Å; I193-L274 HydrophobicContact CD1-CD1 4.49Å
194Y95.9Very high94Very high65 Ų6551 Ų5126%0.25524%0.238SC..EExtended strand (participates in β ladder)trans-120128.4177.8-56.5-87.7000110.1I174 E175 E177 K192 L196I174-Y194 WeakPolarHBondContact CA-O 3.1Å; E175-Y194 HydrophobicContact CB-CD2 4.43Å; E175-Y194 PolarHBondContact N-O 2.79Å; E175-Y194 PolarHBondContact O-N 3.2Å; E177-Y194 HydrophobicContact CB-CE2 4Å; E177-Y194 PolarHBondContact OE2-OH 3.22Å; K192-Y194 HydrophobicContact CB-CE2 4.05Å; K192-Y194 HydrophobicContact CD-CE1 3.72Å; K192-Y194 HydrophobicContact CD-CE2 4.43Å; K192-Y194 VanDerWaalsContact CE-CE1 3.5Å; K192-Y194 HydrophobicContact CG-CD1 4.5Å; K192-Y194 HydrophobicContact CG-CE1 3.98Å; K192-Y194 HydrophobicContact CG-CE2 4.08Å; Y194-L196 PolarHBondContact O-N 2.98Å
195F94.5Very high93.9Very high1 Ų149.6 Ų49.60%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-96.192177.6-62.8-81000109.7I174 I193 V198 I202 M205 M234 P238 R240 G241 E242 I244I174-F195 HydrophobicContact CD1-CD1 3.65Å; I174-F195 HydrophobicContact CD1-CE1 3.65Å; I174-F195 HydrophobicContact CG1-CD1 3.71Å; I174-F195 HydrophobicContact CG1-CE1 4.12Å; I193-F195 HydrophobicContact CG2-CE1 4.28Å; I193-F195 HydrophobicContact CG2-CE2 4.08Å; I193-F195 HydrophobicContact CG2-CZ 3.89Å; F195-V198 HydrophobicContact CB-CG2 3.85Å; F195-V198 HydrophobicContact CD1-CG2 3.94Å; F195-V198 HydrophobicContact CG-CG2 4.32Å; F195-I202 HydrophobicContact CE1-CD1 4.43Å; F195-M205 HydrophobicContact CE1-CE 4.18Å; F195-M205 HydrophobicContact CE1-SD 4.3Å; F195-M205 HydrophobicContact CZ-CE 3.64Å; F195-M205 HydrophobicContact CZ-SD 4.32Å; F195-M234 HydrophobicContact CE1-SD 4.24Å; F195-M234 HydrophobicContact CE2-SD 4.5Å; F195-M234 HydrophobicContact CZ-SD 3.66Å; F195-P238 HydrophobicContact CD1-CB 3.69Å; F195-P238 HydrophobicContact CD1-CG 3.42Å; F195-P238 VanDerWaalsContact CD1-CG 3.42Å; F195-P238 HydrophobicContact CD2-CB 3.86Å; F195-P238 HydrophobicContact CD2-CG 4.48Å; F195-P238 HydrophobicContact CE1-CB 3.69Å; F195-P238 HydrophobicContact CE1-CG 3.27Å; F195-P238 HydrophobicContact CE2-CB 3.84Å; F195-P238 HydrophobicContact CE2-CG 4.35Å; F195-P238 HydrophobicContact CG-CB 3.78Å; F195-P238 HydrophobicContact CG-CG 4.06Å; F195-P238 HydrophobicContact CZ-CB 3.75Å; F195-P238 HydrophobicContact CZ-CG 3.76Å; F195-R240 WeakPolarHBondContact O-CA 3.34Å; F195-G241 PolarHBondContact O-N 3.26Å; F195-E242 HydrophobicContact CD2-CB 3.99Å; F195-E242 WeakPolarHBondContact CD2-O 3.47Å; F195-E242 PolarHBondContact N-O 2.9Å; F195-E242 VanDerWaalsContact N-O 3.1Å; F195-I244 HydrophobicContact CE2-CD1 3.75Å; F195-I244 HydrophobicContact CE2-CG1 4.01Å; F195-I244 HydrophobicContact CZ-CD1 3.99Å
196L93.4Very high93.9Very high68 Ų6849.3 Ų49.336%0.35623%0.23SC..EExtended strand (participates in β ladder)trans-82.5-37.1-174.7-57178.9000112.2H173 E175 Y194 R240H173-L196 HydrophobicContact CB-CB 4.17Å; H173-L196 WeakPolarHBondContact O-CA 3.43Å; H173-L196 WeakPolarHBondContact O-CB 3.43Å; H173-L196 PolarHBondContact O-N 2.99Å; E175-L196 HydrophobicContact CB-CD1 4.26Å; Y194-L196 PolarHBondContact O-N 2.98Å; L196-R240 WeakPolarHBondContact O-CD 3.3Å; L196-R240 WeakPolarHBondContact O-CG 3.47Å; L196-R240 PolarHBondContact O-NE 2.97Å; L196-R240 VanDerWaalsContact O-NE 3.12Å
197L93Very high93.9Very high40 Ų4041.7 Ų41.721%0.20920%0.196CC..EExtended strand (participates in β ladder)trans-145.9127.5173.6-177.665000109.5L172 H173 R199L172-L197 CarbonylContact C-O 3.55Å; L172-L197 WeakPolarHBondContact CA-O 3.44Å; H173-L197 HydrophobicContact CB-CB 3.76Å; H173-L197 PolarHBondContact N-O 3.3Å; H173-L197 PolarHBondContact O-N 3.05Å; L197-R199 HydrophobicContact CD1-CG 4Å; L197-R199 HydrophobicContact CG-CG 4.37Å
198V91.7Very high94Very high31 Ų3141.1 Ų41.119%0.18819%0.194CC..EExtended strand (participates in β ladder)trans-13892.9177.1-172.10000107.8F195 I200 I202 P238F195-V198 HydrophobicContact CB-CG2 3.85Å; F195-V198 HydrophobicContact CD1-CG2 3.94Å; F195-V198 HydrophobicContact CG-CG2 4.32Å; V198-I200 WeakPolarHBondContact CG1-O 3.49Å; V198-I202 HydrophobicContact CG1-CD1 4.23Å; V198-P238 HydrophobicContact CG1-CG 4.38Å; V198-P238 HydrophobicContact CG2-CG 4.42Å
199R90.6Very high94.1Very high170 Ų17039.6 Ų39.664%0.64218%0.184SC*.  trans-103.2-18.5170.8-58.5-160.3-179.9145-10.7112.6D170 C171 L197D170-R199 WeakPolarHBondContact O-CD 3.47Å; D170-R199 PolarHBondContact O-NH1 3.04Å; C171-R199 WeakPolarHBondContact O-CA 3.39Å; C171-R199 WeakPolarHBondContact O-CB 3.45Å; C171-R199 PolarHBondContact O-N 2.85Å; L197-R199 HydrophobicContact CD1-CG 4Å; L197-R199 HydrophobicContact CG-CG 4.37Å
200I89.4Confident94.1Very high28 Ų2840.6 Ų40.614%0.14419%0.189CC..SBendtrans-91.9138.9172.6-60.4175.7000108.7I168 C171 V198 I202 D278I168-I200 HydrophobicContact CD1-CD1 3.98Å; C171-I200 HydrophobicContact CB-CD1 3.77Å; C171-I200 HydrophobicContact CB-CG1 4.03Å; V198-I200 WeakPolarHBondContact CG1-O 3.49Å; I200-I202 PolarHBondContact O-N 2.94Å; I200-D278 HydrophobicContact CG2-CB 3.62Å
201K89.4Confident94.2Very high120 Ų12039.2 Ų39.252%0.52218%0.178SC..  trans-77.3115174.4-66.7179.3175.9-175.80110.3D278 E279K201-D278 WeakPolarHBondContact O-CA 3.28Å; K201-D278 WeakPolarHBondContact O-CB 3.32Å; K201-E279 HydrophobicContact CB-CG 3.86Å; K201-E279 HydrophobicContact CD-CG 4.45Å; K201-E279 WeakPolarHBondContact CD-OE1 3.34Å; K201-E279 WeakPolarHBondContact CD-OE2 3.34Å; K201-E279 IonicContact NZ-OE1 3.82Å; K201-E279 IonicContact NZ-OE2 3.88Å; K201-E279 PolarHBondContact NZ-OE2 2.91Å; K201-E279 PolarHBondContact O-N 2.77Å; K201-E279 VanDerWaalsContact O-N 3.16Å
202I90.4Very high94.3Very high7 Ų741.6 Ų41.64%0.03618%0.183CC..EExtended strand (participates in β ladder)trans-82.2129.4177.2-57171.8000107.8L172 I174 F195 V198 I200 G236 P238 L276L172-I202 HydrophobicContact CD1-CD1 4.07Å; I174-I202 HydrophobicContact CD1-CD1 3.65Å; F195-I202 HydrophobicContact CE1-CD1 4.43Å; V198-I202 HydrophobicContact CG1-CD1 4.23Å; I200-I202 PolarHBondContact O-N 2.94Å; I202-G236 CarbonylContact O-C 3.34Å; I202-G236 VanDerWaalsContact O-O 3.08Å; I202-P238 HydrophobicContact CD1-CG 3.8Å; I202-L276 HydrophobicContact CD1-CD2 4.11Å
203K91.6Very high94.4Very high99 Ų9938.3 Ų38.343%0.4317%0.169SC..EExtended strand (participates in β ladder)trans-88.6-47.2175.2-178.6-175.8178.7-168.20110.4G236 I277 E281K203-G236 PolarHBondContact O-N 3.16Å; K203-I277 WeakPolarHBondContact CA-O 3.41Å; K203-I277 WeakPolarHBondContact CB-O 3.22Å; K203-I277 PolarHBondContact N-O 3.38Å; K203-E281 IonicContact NZ-OE1 3.88Å; K203-E281 PolarHBondContact NZ-OE1 3.43Å; K203-E281 IonicContact NZ-OE2 3.46Å
204H92.2Very high94.5Very high30 Ų3040 Ų4014%0.13918%0.179CC..EExtended strand (participates in β ladder)trans-147.1144.5-173.1-176.274.8000111.3E206 D235 I277H204-E206 IonicContact NE2-OE2 3.14Å; H204-D235 IonicContact CE1-OD1 3.74Å; H204-D235 IonicContact CG-OD1 2.57Å; H204-D235 IonicContact ND1-OD1 3.76Å; H204-D235 PolarHBondContact ND1-OD1 2.81Å; H204-I277 HydrophobicContact CB-CB 4.26Å; H204-I277 PolarHBondContact N-O 2.81Å; H204-I277 PolarHBondContact O-N 3.15Å
205M93.9Very high94.5Very high0 Ų036.9 Ų36.90%017%0.167CC..EExtended strand (participates in β ladder)trans-141.1132.9174.2-176176.264.400111.2I193 F195 I233 M234 I244 L274 V275 L276I193-M205 HydrophobicContact CD1-CE 3.76Å; I193-M205 HydrophobicContact CD1-SD 4.23Å; I193-M205 HydrophobicContact CG2-CE 4.33Å; I193-M205 HydrophobicContact CG2-SD 4.49Å; F195-M205 HydrophobicContact CE1-CE 4.18Å; F195-M205 HydrophobicContact CE1-SD 4.3Å; F195-M205 HydrophobicContact CZ-CE 3.64Å; F195-M205 HydrophobicContact CZ-SD 4.32Å; M205-I233 HydrophobicContact CE-CB 3.85Å; M205-I233 HydrophobicContact CE-CD1 3.93Å; M205-I233 HydrophobicContact CE-CG2 3.48Å; M205-I233 VanDerWaalsContact CE-CG2 3.48Å; M205-I233 HydrophobicContact CG-CD1 4.05Å; M205-I233 PolarHBondContact O-N 2.92Å; M205-I233 HydrophobicContact SD-CD1 4.45Å; M205-M234 HydrophobicContact CB-CG 3.98Å; M205-M234 HydrophobicContact CE-CG 3.84Å; M205-M234 HydrophobicContact CE-SD 3.69Å; M205-M234 PolarHBondContact N-O 2.91Å; M205-I244 HydrophobicContact CE-CD1 4.44Å; M205-L274 HydrophobicContact CG-CD1 4.11Å; M205-L274 HydrophobicContact SD-CD1 4.17Å; M205-V275 WeakPolarHBondContact CA-O 3.42Å; M205-L276 HydrophobicContact CG-CD2 4.19Å; M205-L276 HydrophobicContact CG-CG 4.1Å; M205-L276 HydrophobicContact SD-CD2 3.86Å; M205-L276 HydrophobicContact SD-CG 4.34Å
206E95.4Very high94.2Very high14 Ų1437.4 Ų37.47%0.06517%0.173CC..EExtended strand (participates in β ladder)trans-138.7156.8178.464.1-178.217800112H204 Y231 V275H204-E206 IonicContact NE2-OE2 3.14Å; E206-Y231 CarbonylContact C-O 3.5Å; E206-Y231 VanDerWaalsContact CA-O 3.24Å; E206-Y231 WeakPolarHBondContact CA-O 3.07Å; E206-V275 HydrophobicContact CG-CB 3.73Å; E206-V275 HydrophobicContact CG-CG1 4.3Å; E206-V275 HydrophobicContact CG-CG2 4.29Å; E206-V275 PolarHBondContact N-O 3.45Å; E206-V275 PolarHBondContact O-N 2.91Å
207I96.4Very high93.5Very high1 Ų137.3 Ų37.31%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-113.8123.1164.8-70.8164.6000108.4F176 I193 Y231 I233 I246 L248 L272 N273 L274F176-I207 HydrophobicContact CD1-CD1 4.19Å; F176-I207 HydrophobicContact CD2-CD1 4.32Å; F176-I207 HydrophobicContact CE1-CD1 3.81Å; F176-I207 HydrophobicContact CE2-CD1 3.95Å; F176-I207 HydrophobicContact CG-CD1 4.45Å; F176-I207 HydrophobicContact CZ-CD1 3.69Å; I193-I207 HydrophobicContact CD1-CD1 4.17Å; I207-Y231 PolarHBondContact N-O 3.4Å; I207-Y231 WeakPolarHBondContact O-CB 3.31Å; I207-Y231 PolarHBondContact O-N 3.01Å; I207-I233 HydrophobicContact CB-CD1 4.37Å; I207-I233 HydrophobicContact CD1-CD1 3.72Å; I207-I233 HydrophobicContact CG1-CD1 3.63Å; I207-I246 HydrophobicContact CD1-CG1 4.35Å; I207-I246 HydrophobicContact CD1-CG2 4.27Å; I207-L248 HydrophobicContact CG2-CD1 3.92Å; I207-L272 HydrophobicContact CG2-CD2 4.19Å; I207-N273 WeakPolarHBondContact CA-O 3.36Å; I207-L274 HydrophobicContact CG1-CD1 3.84Å
208D97.4Very high92.7Very high7 Ų738.4 Ų38.44%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-99.4147.9173.2-51-39.4000111.6I210 T227 A229 K230 L272 N273D208-I210 HydrophobicContact CB-CD1 4.38Å; D208-I210 HydrophobicContact CB-CG1 3.92Å; D208-T227 HydrophobicContact CB-CG2 4.1Å; D208-A229 CarbonylContact C-O 3.54Å; D208-A229 VanDerWaalsContact CA-O 3.23Å; D208-A229 WeakPolarHBondContact CA-O 3.45Å; D208-K230 WeakPolarHBondContact OD1-CG 2.95Å; D208-L272 WeakPolarHBondContact O-CA 3.39Å; D208-N273 HydrophobicContact CB-CB 4.18Å; D208-N273 PolarHBondContact N-O 2.8Å; D208-N273 PolarHBondContact O-N 2.84Å; D208-N273 PolarHBondContact OD2-ND2 3.32Å
209I97.9Very high92Very high2 Ų243.4 Ų43.41%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-99.6111.1158.8-58.2177.3000107.2I228 A229 L250 M255 Y270 Y271 L272I209-I228 HydrophobicContact CB-CB 4.44Å; I209-I228 HydrophobicContact CG2-CB 4.31Å; I209-I228 WeakPolarHBondContact O-CB 3.27Å; I209-I228 PolarHBondContact O-N 2.99Å; I209-A229 HydrophobicContact CB-CB 4.01Å; I209-A229 HydrophobicContact CD1-CB 4.04Å; I209-A229 HydrophobicContact CG1-CB 4.07Å; I209-A229 PolarHBondContact N-O 2.89Å; I209-A229 PolarHBondContact O-N 3.12Å; I209-L250 HydrophobicContact CD1-CD2 3.68Å; I209-M255 HydrophobicContact CG2-SD 4.37Å; I209-Y270 HydrophobicContact CG2-CD1 4.3Å; I209-Y271 WeakPolarHBondContact CA-O 3.37Å; I209-L272 HydrophobicContact CG1-CD2 3.96Å
210I98.2Very high91.8Very high20 Ų2037.9 Ų37.910%0.10322%0.217CC..EExtended strand (participates in β ladder)trans-105.3122.9180-56.6-179.5000109.2D208 N225 D226 Y270 Y271 N273D208-I210 HydrophobicContact CB-CD1 4.38Å; D208-I210 HydrophobicContact CB-CG1 3.92Å; I210-N225 HydrophobicContact CG2-CB 4.24Å; I210-D226 WeakPolarHBondContact CA-O 3.34Å; I210-Y270 CarbonylContact O-C 3.35Å; I210-Y270 WeakPolarHBondContact O-CA 3.44Å; I210-Y271 PolarHBondContact N-O 2.79Å; I210-Y271 PolarHBondContact O-N 3.33Å; I210-N273 HydrophobicContact CD1-CB 3.56Å; I210-N273 HydrophobicContact CG1-CB 4.09Å
211K98.4Very high92Very high31 Ų3139.6 Ų39.614%0.13523%0.228CC..EExtended strand (participates in β ladder)trans-88.9124.3166.6177.4-171.2173.2-167.30108.3Y119 N225 D226 I228 V268 R269 Y270Y119-K211 WeakPolarHBondContact OH-CE 3.14Å; Y119-K211 PolarHBondContact OH-NZ 2.88Å; K211-N225 CarbonylContact O-C 3.58Å; K211-N225 WeakPolarHBondContact O-CA 3.35Å; K211-D226 HydrophobicContact CB-CB 4.37Å; K211-D226 PolarHBondContact N-O 2.99Å; K211-D226 PolarHBondContact O-N 2.89Å; K211-I228 HydrophobicContact CB-CD1 3.79Å; K211-I228 HydrophobicContact CB-CG1 3.65Å; K211-I228 HydrophobicContact CD-CD1 4.06Å; K211-V268 HydrophobicContact CD-CG1 4.31Å; K211-V268 HydrophobicContact CG-CG1 3.97Å; K211-R269 CarbonylContact C-O 3.58Å; K211-R269 WeakPolarHBondContact CA-O 3.33Å; K211-Y270 HydrophobicContact CB-CD1 4.09Å; K211-Y270 HydrophobicContact CB-CE1 3.76Å; K211-Y270 HydrophobicContact CD-CE1 4.33Å; K211-Y270 HydrophobicContact CG-CE1 3.9Å
212R98.3Very high92.2Very high64 Ų6438.6 Ų38.624%0.24222%0.222CC..EExtended strand (participates in β ladder)trans-110.5115.2171.5-174.4174.1-62.9168.913.2109.6E224 N225 V268 R269 Y271R212-E224 CarbonylContact C-O 3.5Å; R212-E224 WeakPolarHBondContact CA-O 3.39Å; R212-N225 VanDerWaalsContact CG-OD1 3.31Å; R212-N225 WeakPolarHBondContact CG-OD1 3.38Å; R212-N225 PolarHBondContact NE-OD1 3.3Å; R212-V268 WeakPolarHBondContact O-CA 3.36Å; R212-R269 PolarHBondContact N-O 2.83Å; R212-R269 PolarHBondContact O-N 2.88Å; R212-Y271 HydrophobicContact CB-CD2 4.31Å; R212-Y271 HydrophobicContact CB-CE2 3.86Å
213E98.3Very high92.4Very high6 Ų643.5 Ų43.53%0.02824%0.244CC..EExtended strand (participates in β ladder)trans-92.8130167-178.2-176.1118.500108.6Y119 G121 Q122 N123 V124 T215 H223 E224 S267Y119-E213 WeakPolarHBondContact CE1-OE2 3.49Å; Y119-E213 PolarHBondContact OH-OE2 2.65Å; G121-E213 WeakPolarHBondContact CA-OE2 3.38Å; Q122-E213 PolarHBondContact N-OE1 2.82Å; Q122-E213 PolarHBondContact N-OE2 3.49Å; N123-E213 WeakPolarHBondContact CA-OE1 3.31Å; N123-E213 WeakPolarHBondContact CB-OE1 3.29Å; N123-E213 PolarHBondContact N-OE1 2.82Å; V124-E213 HydrophobicContact CG1-CG 4.27Å; E213-T215 PolarHBondContact OE1-OG1 2.91Å; E213-H223 WeakPolarHBondContact O-CA 3.02Å; E213-E224 HydrophobicContact CB-CB 4.27Å; E213-E224 PolarHBondContact N-O 3.42Å; E213-E224 PolarHBondContact O-N 3.01Å; E213-S267 CarbonylContact C-O 3.57Å; E213-S267 WeakPolarHBondContact CA-O 3.08Å
214T97.6Very high92.6Very high35 Ų3542.4 Ų42.422%0.21524%0.241CC..EExtended strand (participates in β ladder)trans-124.7125174.2-620000108V221 Y222 H223 F266 S267T214-V221 HydrophobicContact CG2-CG1 3.58Å; T214-Y222 CarbonylContact C-O 3.58Å; T214-Y222 VanDerWaalsContact CA-O 3.32Å; T214-Y222 WeakPolarHBondContact CA-O 3.14Å; T214-H223 VanDerWaalsContact CG2-CE1 3.43Å; T214-H223 WeakPolarHBondContact CG2-CE1 3.37Å; T214-H223 WeakPolarHBondContact CG2-ND1 3.45Å; T214-H223 PolarHBondContact OG1-ND1 2.78Å; T214-F266 CarbonylContact O-C 3.6Å; T214-F266 WeakPolarHBondContact O-CA 3.3Å; T214-F266 VanDerWaalsContact O-CB 3.29Å; T214-F266 WeakPolarHBondContact O-CB 3.19Å; T214-S267 PolarHBondContact N-O 2.8Å; T214-S267 PolarHBondContact O-N 2.82Å
215T96.3Very high92.8Very high0 Ų045.4 Ų45.40%026%0.258CS..EExtended strand (participates in β ladder)trans-132140.6-171.2-56.30000109.6L76 Y78 N123 V124 E213 Y222 F266L76-T215 HydrophobicContact CD2-CG2 3.43Å; L76-T215 VanDerWaalsContact CD2-CG2 3.43Å; Y78-T215 HydrophobicContact CE1-CG2 4.04Å; N123-T215 HydrophobicContact CB-CG2 4.39Å; V124-T215 HydrophobicContact CB-CG2 3.87Å; V124-T215 HydrophobicContact CG1-CG2 4.45Å; E213-T215 PolarHBondContact OE1-OG1 2.91Å; T215-Y222 PolarHBondContact N-O 2.83Å; T215-Y222 PolarHBondContact O-N 2.97Å; T215-F266 HydrophobicContact CG2-CB 4.34Å
216G89.1Confident93Very high13 Ų1349.5 Ų49.513%0.13428%0.28CS..EExtended strand (participates in β ladder)trans110.3173.9175.300000114.2Y78 S220 K265Y78-G216 WeakPolarHBondContact OH-CA 3.3Å; G216-S220 WeakPolarHBondContact CA-O 3.38Å; G216-K265 PolarHBondContact N-O 3.32Å
217T77.9Confident93Very high66 Ų6651.7 Ų51.741%0.40529%0.294SS..EExtended strand (participates in β ladder)trans-136.8140.1-174.349.20000111.2K264 K265T217-K264 WeakPolarHBondContact CG2-O 3.48Å; T217-K265 HydrophobicContact CG2-CD 4.19Å
218G75.9Confident93.1Very high62 Ų6253.3 Ų53.364%0.63930%0.303SS*.THydrogen-bonded Turntrans70.1-128.9175.800000112.1S220 V221G218-S220 VanDerWaalsContact C-N 3.28Å; G218-S220 PolarHBondContact O-N 2.58Å; G218-V221 WeakPolarHBondContact O-CG2 3.46Å
219P77.8Confident93Very high136 Ų13653.3 Ų53.388%0.88330%0.304SS*.THydrogen-bonded Turntrans-75.1-12.9-175.330.4-34.5000114.3
220S85.6Confident92.9Very high54 Ų5459.2 Ų59.238%0.37833%0.329SS..EExtended strand (participates in β ladder)trans-109.871.6-176-57.10000110.6G216 G218G216-S220 WeakPolarHBondContact CA-O 3.38Å; G218-S220 VanDerWaalsContact C-N 3.28Å; G218-S220 PolarHBondContact O-N 2.58Å
221V93.1Very high92.7Very high64 Ų6462.4 Ų62.439%0.38834%0.341SS..EExtended strand (participates in β ladder)trans-103.6127.6175.4-178.60000109.5T214 G218T214-V221 HydrophobicContact CG2-CG1 3.58Å; G218-V221 WeakPolarHBondContact O-CG2 3.46Å
222Y94Very high92.5Very high100 Ų10067.2 Ų67.239%0.39236%0.364SS..EExtended strand (participates in β ladder)trans-111.4142178.2-58-88.6000109.4Y78 T214 T215Y78-Y222 AromaticContact CD1-CD2 3.78Å; Y78-Y222 HydrophobicContact CD1-CD2 3.78Å; Y78-Y222 AromaticContact CD1-CE2 3.63Å; Y78-Y222 HydrophobicContact CD1-CE2 3.63Å; Y78-Y222 HydrophobicContact CD2-CE2 4.23Å; Y78-Y222 HydrophobicContact CE1-CD2 4.06Å; Y78-Y222 HydrophobicContact CE1-CE2 4.03Å; Y78-Y222 HydrophobicContact CG-CD2 4.33Å; Y78-Y222 AromaticContact CG-CE2 3.73Å; Y78-Y222 HydrophobicContact CG-CE2 3.73Å; T214-Y222 CarbonylContact C-O 3.58Å; T214-Y222 VanDerWaalsContact CA-O 3.32Å; T214-Y222 WeakPolarHBondContact CA-O 3.14Å; T215-Y222 PolarHBondContact N-O 2.83Å; T215-Y222 PolarHBondContact O-N 2.97Å
223H95Very high92.1Very high109 Ų10965.5 Ų65.551%0.50536%0.359SS..EExtended strand (participates in β ladder)trans-126.3125.8179.6-61.3-71.3000110E213 T214E213-H223 WeakPolarHBondContact O-CA 3.02Å; T214-H223 VanDerWaalsContact CG2-CE1 3.43Å; T214-H223 WeakPolarHBondContact CG2-CE1 3.37Å; T214-H223 WeakPolarHBondContact CG2-ND1 3.45Å; T214-H223 PolarHBondContact OG1-ND1 2.78Å
224E96.9Very high91.4Very high77 Ų7766.9 Ų66.936%0.3637%0.366SS..EExtended strand (participates in β ladder)trans-118.1131.7172.6-62.7-63.7160.400108.9Q122 N123 R212 E213Q122-E224 HydrophobicContact CB-CB 4.32Å; Q122-E224 HydrophobicContact CB-CG 3.99Å; Q122-E224 HydrophobicContact CG-CB 4.46Å; Q122-E224 HydrophobicContact CG-CG 3.82Å; N123-E224 WeakPolarHBondContact ND2-CG 3.33Å; N123-E224 PolarHBondContact ND2-OE1 3.2Å; R212-E224 CarbonylContact C-O 3.5Å; R212-E224 WeakPolarHBondContact CA-O 3.39Å; E213-E224 HydrophobicContact CB-CB 4.27Å; E213-E224 PolarHBondContact N-O 3.42Å; E213-E224 PolarHBondContact O-N 3.01Å
225N96.5Very high90.4Very high93 Ų9371.1 Ų71.150%0.49739%0.387SS..EExtended strand (participates in β ladder)trans-114.7132.2174.1-61.2-64.4000108.7I210 K211 R212I210-N225 HydrophobicContact CG2-CB 4.24Å; K211-N225 CarbonylContact O-C 3.58Å; K211-N225 WeakPolarHBondContact O-CA 3.35Å; R212-N225 VanDerWaalsContact CG-OD1 3.31Å; R212-N225 WeakPolarHBondContact CG-OD1 3.38Å; R212-N225 PolarHBondContact NE-OD1 3.3Å
226D96.4Very high89.4Confident85 Ų8572.7 Ų72.746%0.45540%0.403SS..EExtended strand (participates in β ladder)trans-126.1123.9176.6-177.515000108.9I210 K211 I228I210-D226 WeakPolarHBondContact CA-O 3.34Å; K211-D226 HydrophobicContact CB-CB 4.37Å; K211-D226 PolarHBondContact N-O 2.99Å; K211-D226 PolarHBondContact O-N 2.89Å; D226-I228 HydrophobicContact CB-CD1 4.29Å; D226-I228 PolarHBondContact O-N 2.85Å; D226-I228 VanDerWaalsContact OD2-CD1 3.3Å; D226-I228 WeakPolarHBondContact OD2-CD1 3.4Å
227T97.1Very high88.9Confident61 Ų6175.2 Ų75.237%0.37442%0.423SS..EExtended strand (participates in β ladder)trans-85.797.2176.4-60.20000108.6D208 K230D208-T227 HydrophobicContact CB-CG2 4.1Å; T227-K230 HydrophobicContact CG2-CD 4.29Å; T227-K230 HydrophobicContact CG2-CG 3.57Å
228I96.4Very high89.4Confident34 Ų3472.3 Ų72.317%0.17441%0.405CS..EExtended strand (participates in β ladder)trans-70.7-38.3-174.8-56.2-59.6000111.9I209 K211 D226 Y253 M255 Y270I209-I228 HydrophobicContact CB-CB 4.44Å; I209-I228 HydrophobicContact CG2-CB 4.31Å; I209-I228 WeakPolarHBondContact O-CB 3.27Å; I209-I228 PolarHBondContact O-N 2.99Å; K211-I228 HydrophobicContact CB-CD1 3.79Å; K211-I228 HydrophobicContact CB-CG1 3.65Å; K211-I228 HydrophobicContact CD-CD1 4.06Å; D226-I228 HydrophobicContact CB-CD1 4.29Å; D226-I228 PolarHBondContact O-N 2.85Å; D226-I228 VanDerWaalsContact OD2-CD1 3.3Å; D226-I228 WeakPolarHBondContact OD2-CD1 3.4Å; I228-Y253 HydrophobicContact CG2-CD1 4.31Å; I228-Y253 HydrophobicContact CG2-CG 4.24Å; I228-M255 HydrophobicContact CG2-CG 4.04Å; I228-M255 HydrophobicContact CG2-SD 4.45Å; I228-Y270 HydrophobicContact CG1-CE1 4.46Å
229A95.8Very high90Very high8 Ų873.5 Ų73.57%0.06640%0.4CS..EExtended strand (participates in β ladder)trans-143.9143.3-178.900000109.3D208 I209 Y253D208-A229 CarbonylContact C-O 3.54Å; D208-A229 VanDerWaalsContact CA-O 3.23Å; D208-A229 WeakPolarHBondContact CA-O 3.45Å; I209-A229 HydrophobicContact CB-CB 4.01Å; I209-A229 HydrophobicContact CD1-CB 4.04Å; I209-A229 HydrophobicContact CG1-CB 4.07Å; I209-A229 PolarHBondContact N-O 2.89Å; I209-A229 PolarHBondContact O-N 3.12Å; A229-Y253 HydrophobicContact CB-CD1 3.85Å; A229-Y253 HydrophobicContact CB-CD2 4.28Å; A229-Y253 HydrophobicContact CB-CE1 3.38Å; A229-Y253 HydrophobicContact CB-CE2 3.84Å; A229-Y253 HydrophobicContact CB-CG 4.29Å
230K96Very high90.7Very high125 Ų12576.3 Ų76.354%0.54339%0.393SS..EExtended strand (participates in β ladder)trans-122.5124166.4-61.1-166173.1-164.10108.2D208 T227D208-K230 WeakPolarHBondContact OD1-CG 2.95Å; T227-K230 HydrophobicContact CG2-CD 4.29Å; T227-K230 HydrophobicContact CG2-CG 3.57Å
231Y94.3Very high90.9Very high87 Ų8776.9 Ų76.934%0.34141%0.408SS..EExtended strand (participates in β ladder)trans-116.396.6177.6-170.3-96.5000108.9E206 I207 I233 I246 L248E206-Y231 CarbonylContact C-O 3.5Å; E206-Y231 VanDerWaalsContact CA-O 3.24Å; E206-Y231 WeakPolarHBondContact CA-O 3.07Å; I207-Y231 PolarHBondContact N-O 3.4Å; I207-Y231 WeakPolarHBondContact O-CB 3.31Å; I207-Y231 PolarHBondContact O-N 3.01Å; Y231-I233 HydrophobicContact CD1-CG1 3.83Å; Y231-I233 HydrophobicContact CE1-CG1 4.18Å; Y231-I233 PolarHBondContact O-N 2.79Å; Y231-I246 HydrophobicContact CE1-CD1 4.05Å; Y231-L248 HydrophobicContact CD1-CD2 3.57Å; Y231-L248 HydrophobicContact CD2-CD2 3.3Å; Y231-L248 HydrophobicContact CE1-CD2 4Å; Y231-L248 HydrophobicContact CE2-CD2 3.77Å; Y231-L248 HydrophobicContact CG-CD2 3.18Å
232E93.6Very high90.9Very high132 Ų13278.2 Ų78.262%0.61741%0.41SS*.EExtended strand (participates in β ladder)trans-67.7124.5174.3-61.1178.2-175.400108.8
233I89.8Confident90.9Very high29 Ų2975.8 Ų75.815%0.14941%0.407CS..EExtended strand (participates in β ladder)trans-99.2-48-173.1-64157.1000110.6I193 M205 I207 Y231 I244 I246I193-I233 HydrophobicContact CD1-CD1 3.37Å; I193-I233 HydrophobicContact CD1-CG1 4.36Å; I193-I233 HydrophobicContact CD1-CG2 4.28Å; M205-I233 HydrophobicContact CE-CB 3.85Å; M205-I233 HydrophobicContact CE-CD1 3.93Å; M205-I233 HydrophobicContact CE-CG2 3.48Å; M205-I233 VanDerWaalsContact CE-CG2 3.48Å; M205-I233 HydrophobicContact CG-CD1 4.05Å; M205-I233 PolarHBondContact O-N 2.92Å; M205-I233 HydrophobicContact SD-CD1 4.45Å; I207-I233 HydrophobicContact CB-CD1 4.37Å; I207-I233 HydrophobicContact CD1-CD1 3.72Å; I207-I233 HydrophobicContact CG1-CD1 3.63Å; Y231-I233 HydrophobicContact CD1-CG1 3.83Å; Y231-I233 HydrophobicContact CE1-CG1 4.18Å; Y231-I233 PolarHBondContact O-N 2.79Å; I233-I244 HydrophobicContact CG2-CB 4.47Å; I233-I244 HydrophobicContact CG2-CD1 3.83Å; I233-I244 HydrophobicContact CG2-CG2 3.89Å; I233-I246 HydrophobicContact CD1-CD1 4.3Å; I233-I246 HydrophobicContact CG1-CD1 3.99Å; I233-I246 HydrophobicContact CG2-CD1 4.16Å
234M84.6Confident90.9Very high34 Ų3472.7 Ų72.717%0.16739%0.394CS..EExtended strand (participates in β ladder)trans-156.1148.6-175.968-178.5-54.200112.5F195 M205 G236 P238 I244F195-M234 HydrophobicContact CE1-SD 4.24Å; F195-M234 HydrophobicContact CE2-SD 4.5Å; F195-M234 HydrophobicContact CZ-SD 3.66Å; M205-M234 HydrophobicContact CB-CG 3.98Å; M205-M234 HydrophobicContact CE-CG 3.84Å; M205-M234 HydrophobicContact CE-SD 3.69Å; M205-M234 PolarHBondContact N-O 2.91Å; M234-G236 VanDerWaalsContact CE-O 3.28Å; M234-G236 WeakPolarHBondContact CE-O 3.38Å; M234-P238 HydrophobicContact CE-CB 3.74Å; M234-P238 HydrophobicContact CE-CG 3.83Å; M234-P238 HydrophobicContact SD-CB 4.1Å; M234-P238 HydrophobicContact SD-CG 3.87Å; M234-I244 HydrophobicContact CB-CD1 4.48Å; M234-I244 HydrophobicContact SD-CD1 3.96Å
235D76.6Confident90.9Very high125 Ų12573.9 Ų73.967%0.66841%0.408SS*.EExtended strand (participates in β ladder)trans-114.3119.1160.1-67.5-35.5000107.8H204H204-D235 IonicContact CE1-OD1 3.74Å; H204-D235 IonicContact CG-OD1 2.57Å; H204-D235 IonicContact ND1-OD1 3.76Å; H204-D235 PolarHBondContact ND1-OD1 2.81Å
236G74.5Confident90.9Very high32 Ų3269.5 Ų69.533%0.3339%0.385SS..SBendtrans128.1176.7179.700000114.8I202 K203 M234 P238I202-G236 CarbonylContact O-C 3.34Å; I202-G236 VanDerWaalsContact O-O 3.08Å; K203-G236 PolarHBondContact O-N 3.16Å; M234-G236 VanDerWaalsContact CE-O 3.28Å; M234-G236 WeakPolarHBondContact CE-O 3.38Å; G236-P238 VanDerWaalsContact O-CD 3.28Å; G236-P238 WeakPolarHBondContact O-CD 2.94Å
237A78.9Confident90.9Very high66 Ų6673.4 Ų73.455%0.54539%0.393SS..  trans-94.9106.2-17300000111.5
238P88.8Confident90.8Very high6 Ų670.8 Ų70.84%0.03938%0.377CS..PPolyproline II helixtrans-69154.1175.227.1-27.9000110.3F195 V198 I202 M234 G236 E242F195-P238 HydrophobicContact CD1-CB 3.69Å; F195-P238 HydrophobicContact CD1-CG 3.42Å; F195-P238 VanDerWaalsContact CD1-CG 3.42Å; F195-P238 HydrophobicContact CD2-CB 3.86Å; F195-P238 HydrophobicContact CD2-CG 4.48Å; F195-P238 HydrophobicContact CE1-CB 3.69Å; F195-P238 HydrophobicContact CE1-CG 3.27Å; F195-P238 HydrophobicContact CE2-CB 3.84Å; F195-P238 HydrophobicContact CE2-CG 4.35Å; F195-P238 HydrophobicContact CG-CB 3.78Å; F195-P238 HydrophobicContact CG-CG 4.06Å; F195-P238 HydrophobicContact CZ-CB 3.75Å; F195-P238 HydrophobicContact CZ-CG 3.76Å; V198-P238 HydrophobicContact CG1-CG 4.38Å; V198-P238 HydrophobicContact CG2-CG 4.42Å; I202-P238 HydrophobicContact CD1-CG 3.8Å; M234-P238 HydrophobicContact CE-CB 3.74Å; M234-P238 HydrophobicContact CE-CG 3.83Å; M234-P238 HydrophobicContact SD-CB 4.1Å; M234-P238 HydrophobicContact SD-CG 3.87Å; G236-P238 VanDerWaalsContact O-CD 3.28Å; G236-P238 WeakPolarHBondContact O-CD 2.94Å; P238-E242 WeakPolarHBondContact CA-OE2 3.27Å
239V89Confident90.8Very high86 Ų8675.3 Ų75.352%0.52140%0.395SS..PPolyproline II helixtrans-102.6155.2173.9-56.60000112G241 E242V239-G241 PolarHBondContact O-N 3.02Å; V239-E242 VanDerWaalsContact CG2-CD 3.46Å; V239-E242 HydrophobicContact CG2-CG 3.64Å; V239-E242 WeakPolarHBondContact CG2-OE1 3.46Å; V239-E242 PolarHBondContact N-OE2 3.07Å; V239-E242 WeakPolarHBondContact O-CB 3.43Å; V239-E242 PolarHBondContact O-N 2.89Å; V239-E242 VanDerWaalsContact O-N 3.12Å
240R91.3Very high90.8Very high195 Ų19575 Ų7574%0.73639%0.392SS*.THydrogen-bonded Turntrans-54.9131.5176.8175.8174-177.1-162.6-1.7110.9F195 L196F195-R240 WeakPolarHBondContact O-CA 3.34Å; L196-R240 WeakPolarHBondContact O-CD 3.3Å; L196-R240 WeakPolarHBondContact O-CG 3.47Å; L196-R240 PolarHBondContact O-NE 2.97Å; L196-R240 VanDerWaalsContact O-NE 3.12Å
241G90.1Very high90.7Very high67 Ų6772.2 Ų72.269%0.69139%0.393SS*.THydrogen-bonded Turntrans92.3-9.5179.800000114.2F195 V239F195-G241 PolarHBondContact O-N 3.26Å; V239-G241 PolarHBondContact O-N 3.02Å
242E93Very high90.6Very high92 Ų9271.5 Ų71.543%0.4341%0.412SS..  trans-67.9158171.7-74.1-177.4157.500111.8F195 P238 V239F195-E242 HydrophobicContact CD2-CB 3.99Å; F195-E242 WeakPolarHBondContact CD2-O 3.47Å; F195-E242 PolarHBondContact N-O 2.9Å; F195-E242 VanDerWaalsContact N-O 3.1Å; P238-E242 WeakPolarHBondContact CA-OE2 3.27Å; V239-E242 VanDerWaalsContact CG2-CD 3.46Å; V239-E242 HydrophobicContact CG2-CG 3.64Å; V239-E242 WeakPolarHBondContact CG2-OE1 3.46Å; V239-E242 PolarHBondContact N-OE2 3.07Å; V239-E242 WeakPolarHBondContact O-CB 3.43Å; V239-E242 PolarHBondContact O-N 2.89Å; V239-E242 VanDerWaalsContact O-N 3.12Å
243S94.4Very high90.6Very high48 Ų4869 Ų6934%0.33640%0.398SS..EExtended strand (participates in β ladder)trans-149.5143.617362.80000112.2K192 I193K192-S243 WeakPolarHBondContact CE-OG 3.2Å; K192-S243 PolarHBondContact NZ-OG 3.35Å; I193-S243 CarbonylContact O-C 3.51Å; I193-S243 WeakPolarHBondContact O-CA 3.46Å; I193-S243 WeakPolarHBondContact O-CB 2.87Å
244I95.1Very high90.6Very high44 Ų4473.2 Ų73.223%0.22642%0.416CS..EExtended strand (participates in β ladder)trans-119.2119.2-177.2-60.7171.3000108.7K192 I193 F195 M205 I233 M234 I246K192-I244 WeakPolarHBondContact CA-O 3.48Å; I193-I244 PolarHBondContact N-O 2.92Å; I193-I244 PolarHBondContact O-N 3Å; F195-I244 HydrophobicContact CE2-CD1 3.75Å; F195-I244 HydrophobicContact CE2-CG1 4.01Å; F195-I244 HydrophobicContact CZ-CD1 3.99Å; M205-I244 HydrophobicContact CE-CD1 4.44Å; I233-I244 HydrophobicContact CG2-CB 4.47Å; I233-I244 HydrophobicContact CG2-CD1 3.83Å; I233-I244 HydrophobicContact CG2-CG2 3.89Å; M234-I244 HydrophobicContact CB-CD1 4.48Å; M234-I244 HydrophobicContact SD-CD1 3.96Å; I244-I246 HydrophobicContact CG2-CD1 4.07Å
245P96.6Very high91.1Very high102 Ų10272.4 Ų72.466%0.66241%0.413SS*.EExtended strand (participates in β ladder)trans-73.8138.3174.130.9-33.2000110.8
246I96.5Very high92Very high1 Ų167.9 Ų67.91%0.00539%0.389CS..EExtended strand (participates in β ladder)trans-118.2134.3-177.7-57.4-60.9000109.9F176 V190 G191 I193 I207 Y231 I233 I244 L248F176-I246 HydrophobicContact CE2-CB 4.32Å; F176-I246 HydrophobicContact CE2-CG1 4.23Å; V190-I246 WeakPolarHBondContact CA-O 3.36Å; G191-I246 PolarHBondContact N-O 2.99Å; G191-I246 PolarHBondContact O-N 2.9Å; I193-I246 HydrophobicContact CD1-CD1 4.07Å; I193-I246 HydrophobicContact CD1-CG1 4.09Å; I193-I246 HydrophobicContact CG1-CG1 4.06Å; I207-I246 HydrophobicContact CD1-CG1 4.35Å; I207-I246 HydrophobicContact CD1-CG2 4.27Å; Y231-I246 HydrophobicContact CE1-CD1 4.05Å; I233-I246 HydrophobicContact CD1-CD1 4.3Å; I233-I246 HydrophobicContact CG1-CD1 3.99Å; I233-I246 HydrophobicContact CG2-CD1 4.16Å; I244-I246 HydrophobicContact CG2-CD1 4.07Å; I246-L248 HydrophobicContact CG2-CD1 4.27Å; I246-L248 HydrophobicContact CG2-CD2 3.97Å; I246-L248 HydrophobicContact CG2-CG 3.79Å
247R96.1Very high93.1Very high168 Ų16867 Ų6763%0.63438%0.377SS*.EExtended strand (participates in β ladder)trans-137.6104.4171.5-70.3-175-179.8169.50.7110.3V188 I189 F249V188-R247 HydrophobicContact CG1-CB 4.3Å; I189-R247 WeakPolarHBondContact O-CA 3.26Å; R247-F249 HydrophobicContact CB-CE2 4.37Å
248L95.4Very high94Very high6 Ų664.8 Ų64.83%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-104.9115.8178.6-48.9176000109.9V188 I189 I207 Y231 I246V188-L248 CarbonylContact C-O 3.54Å; V188-L248 WeakPolarHBondContact CA-O 3.03Å; V188-L248 WeakPolarHBondContact CG1-O 3.48Å; I189-L248 HydrophobicContact CB-CB 4.13Å; I189-L248 PolarHBondContact N-O 3.5Å; I189-L248 PolarHBondContact O-N 3.03Å; I207-L248 HydrophobicContact CG2-CD1 3.92Å; Y231-L248 HydrophobicContact CD1-CD2 3.57Å; Y231-L248 HydrophobicContact CD2-CD2 3.3Å; Y231-L248 HydrophobicContact CE1-CD2 4Å; Y231-L248 HydrophobicContact CE2-CD2 3.77Å; Y231-L248 HydrophobicContact CG-CD2 3.18Å; I246-L248 HydrophobicContact CG2-CD1 4.27Å; I246-L248 HydrophobicContact CG2-CD2 3.97Å; I246-L248 HydrophobicContact CG2-CG 3.79Å
249F96.3Very high94.5Very high129 Ų12965 Ų6557%0.56636%0.358SS*.EExtended strand (participates in β ladder)trans-86.2113.9-179.6-67.8-93.4000110.5V188 R247 A251 Y253V188-F249 HydrophobicContact CG1-CD1 4.29Å; V188-F249 HydrophobicContact CG1-CE1 4.32Å; V188-F249 HydrophobicContact CG1-CG 4.48Å; V188-F249 HydrophobicContact CG2-CD1 3.44Å; V188-F249 VanDerWaalsContact CG2-CD1 3.44Å; V188-F249 HydrophobicContact CG2-CE1 3.67Å; V188-F249 HydrophobicContact CG2-CG 4.23Å; R247-F249 HydrophobicContact CB-CE2 4.37Å; F249-A251 VanDerWaalsContact C-N 3.35Å; F249-A251 PolarHBondContact O-N 3.1Å; F249-Y253 WeakPolarHBondContact O-CD2 3.05Å; F249-Y253 WeakPolarHBondContact O-CE2 3.33Å
250L96.5Very high94.8Very high0 Ų066 Ų660%035%0.352CS..G310 helixtrans-74.3-26.3-175.8-64-171000113.4Y183 L185 D187 I189 I209 G252 Y253 M255 L292Y183-L250 HydrophobicContact CG-CD1 4.2Å; L185-L250 CarbonylContact O-C 3.54Å; D187-L250 HydrophobicContact CB-CD1 4.33Å; D187-L250 VanDerWaalsContact O-CB 3.22Å; D187-L250 WeakPolarHBondContact O-CB 3.24Å; D187-L250 WeakPolarHBondContact O-CG 3.43Å; D187-L250 PolarHBondContact O-N 3.13Å; I189-L250 HydrophobicContact CD1-CD2 3.89Å; I189-L250 HydrophobicContact CG1-CD1 4.27Å; I189-L250 HydrophobicContact CG1-CD2 4.04Å; I189-L250 HydrophobicContact CG1-CG 4.28Å; I209-L250 HydrophobicContact CD1-CD2 3.68Å; L250-G252 PolarHBondContact O-N 3.09Å; L250-G252 VanDerWaalsContact O-N 3.09Å; L250-Y253 PolarHBondContact O-N 3.48Å; L250-Y253 VanDerWaalsContact O-N 3.1Å; L250-M255 HydrophobicContact CB-CE 3.47Å; L250-M255 VanDerWaalsContact CB-CE 3.47Å; L250-M255 HydrophobicContact CD1-CE 4.11Å; L250-M255 HydrophobicContact CD2-CE 3.76Å; L250-M255 HydrophobicContact CG-CE 3.95Å; L250-L292 HydrophobicContact CD1-CD2 4.11Å
251A94.3Very high95Very high68 Ų6862.1 Ų62.156%0.56235%0.346SS*.G310 helixtrans-62.7-18.9-175.200000114.7K186 F249 Y253K186-A251 HydrophobicContact CB-CB 4.08Å; K186-A251 HydrophobicContact CG-CB 4.18Å; F249-A251 VanDerWaalsContact C-N 3.35Å; F249-A251 PolarHBondContact O-N 3.1Å; A251-Y253 VanDerWaalsContact C-N 3.35Å
252G91.5Very high95.4Very high71 Ų7159.8 Ų59.873%0.73232%0.318SS*.G310 helixtrans-82.9-9.1178.300000114.3L250L250-G252 PolarHBondContact O-N 3.09Å; L250-G252 VanDerWaalsContact O-N 3.09Å
253Y93.8Very high95.5Very high81 Ų8158.4 Ų58.432%0.31831%0.313SS..SBendtrans-110.6144.7-175.3-57-71.9000111.8I228 A229 F249 L250 A251 M255I228-Y253 HydrophobicContact CG2-CD1 4.31Å; I228-Y253 HydrophobicContact CG2-CG 4.24Å; A229-Y253 HydrophobicContact CB-CD1 3.85Å; A229-Y253 HydrophobicContact CB-CD2 4.28Å; A229-Y253 HydrophobicContact CB-CE1 3.38Å; A229-Y253 HydrophobicContact CB-CE2 3.84Å; A229-Y253 HydrophobicContact CB-CG 4.29Å; F249-Y253 WeakPolarHBondContact O-CD2 3.05Å; F249-Y253 WeakPolarHBondContact O-CE2 3.33Å; L250-Y253 PolarHBondContact O-N 3.48Å; L250-Y253 VanDerWaalsContact O-N 3.1Å; A251-Y253 VanDerWaalsContact C-N 3.35Å; Y253-M255 PolarHBondContact O-N 2.61Å; Y253-M255 VanDerWaalsContact O-N 3.13Å
254E90.2Very high95.5Very high116 Ų11664.4 Ų64.454%0.54233%0.333SS..  trans-77.498.3173.8-70.5176.4-153.800109.9K34K34-E254 WeakPolarHBondContact CE-OE1 3.43Å; K34-E254 WeakPolarHBondContact CE-OE2 3.48Å; K34-E254 IonicContact NZ-OE1 3.23Å; K34-E254 PolarHBondContact NZ-OE1 3.25Å; K34-E254 IonicContact NZ-OE2 2.78Å
255M93.9Very high95.5Very high18 Ų1864.2 Ų64.29%0.08933%0.331CS..  trans-127.7151.8-178.4-60.8-168.7-66.200111.9L185 I209 I228 L250 Y253 Y270 L292L185-M255 HydrophobicContact CD2-CB 4.13Å; I209-M255 HydrophobicContact CG2-SD 4.37Å; I228-M255 HydrophobicContact CG2-CG 4.04Å; I228-M255 HydrophobicContact CG2-SD 4.45Å; L250-M255 HydrophobicContact CB-CE 3.47Å; L250-M255 VanDerWaalsContact CB-CE 3.47Å; L250-M255 HydrophobicContact CD1-CE 4.11Å; L250-M255 HydrophobicContact CD2-CE 3.76Å; L250-M255 HydrophobicContact CG-CE 3.95Å; Y253-M255 PolarHBondContact O-N 2.61Å; Y253-M255 VanDerWaalsContact O-N 3.13Å; M255-Y270 HydrophobicContact CB-CE1 4.38Å; M255-Y270 HydrophobicContact CG-CE1 4.27Å; M255-Y270 HydrophobicContact SD-CE1 4.36Å; M255-L292 HydrophobicContact CB-CD1 4.06Å; M255-L292 HydrophobicContact CE-CD1 4.04Å; M255-L292 HydrophobicContact CG-CD1 4.35Å; M255-L292 HydrophobicContact SD-CD1 3.5Å; M255-L292 VanDerWaalsContact SD-CD1 3.5Å
256T96.7Very high95.6Very high29 Ų2959.6 Ų59.618%0.17830%0.3CS..  trans-109.9163.8171.965.40000109Y119 L185 Y270Y119-T256 HydrophobicContact CD2-CG2 4.12Å; Y119-T256 HydrophobicContact CE2-CG2 4.28Å; L185-T256 WeakPolarHBondContact CD2-O 3.34Å; T256-Y270 PolarHBondContact N-OH 2.71Å; T256-Y270 WeakPolarHBondContact O-CE2 3.48Å; T256-Y270 PolarHBondContact O-OH 2.85Å; T256-Y270 PolarHBondContact OG1-OH 2.97Å
257P97.5Very high95.7Very high13 Ų1360 Ų608%0.08430%0.303CS..  trans-57.2156.6167.5-25.338.4000111E117 L185 M259 L292 R294E117-P257 WeakPolarHBondContact OE1-CD 3.38Å; E117-P257 WeakPolarHBondContact OE1-CG 3.41Å; L185-P257 HydrophobicContact CD1-CG 4.27Å; P257-M259 PolarHBondContact O-N 2.93Å; P257-L292 WeakPolarHBondContact CA-O 3.07Å; P257-R294 HydrophobicContact CG-CB 3.9Å
258T97.9Very high95.8Very high20 Ų2052 Ų5212%0.12327%0.273CS..  trans-65125.2166.9-640000108.8R260 V268 R269 T291 L292T258-R260 HydrophobicContact CG2-CG 4.01Å; T258-V268 CarbonylContact C-O 3.59Å; T258-V268 WeakPolarHBondContact CA-O 3.45Å; T258-R269 HydrophobicContact CG2-CG 4.45Å; T258-T291 HydrophobicContact CG2-CG2 4.42Å; T258-T291 WeakPolarHBondContact OG1-CA 3.38Å; T258-L292 PolarHBondContact N-O 2.77Å; T258-L292 PolarHBondContact OG1-N 2.99Å
259M98Very high95.9Very high10 Ų1055.8 Ų55.85%0.04929%0.287CS..EExtended strand (participates in β ladder)trans-112.1116.6179.7-62.4-176.3-174.600108E117 Y119 P257 I262 F266 S267 V268E117-M259 HydrophobicContact CB-CE 4Å; E117-M259 HydrophobicContact CG-CE 4Å; Y119-M259 HydrophobicContact CD2-CE 4.01Å; Y119-M259 HydrophobicContact CD2-SD 4.1Å; Y119-M259 HydrophobicContact CG-CE 4.25Å; Y119-M259 HydrophobicContact CG-SD 4Å; P257-M259 PolarHBondContact O-N 2.93Å; M259-I262 HydrophobicContact CB-CD1 3.92Å; M259-I262 HydrophobicContact CB-CG1 3.65Å; M259-I262 HydrophobicContact CG-CG1 4.45Å; M259-F266 HydrophobicContact SD-CE2 3.93Å; M259-F266 HydrophobicContact SD-CZ 4.22Å; M259-S267 CarbonylContact O-C 3.48Å; M259-S267 VanDerWaalsContact O-CA 3.26Å; M259-S267 WeakPolarHBondContact O-CA 3.23Å; M259-V268 HydrophobicContact CB-CB 4.04Å; M259-V268 HydrophobicContact CB-CG2 4.27Å; M259-V268 HydrophobicContact CG-CB 4.41Å; M259-V268 PolarHBondContact N-O 2.95Å; M259-V268 PolarHBondContact O-N 2.88Å; M259-V268 HydrophobicContact SD-CG2 4.29Å
260R96.3Very high96Very high107 Ų10749.7 Ų49.740%0.40426%0.26SS..EExtended strand (participates in β ladder)trans-109.3121.5-177.2-61-175.4-174.1-74.5-6109.9T258 I262 E289 T291T258-R260 HydrophobicContact CG2-CG 4.01Å; R260-I262 PolarHBondContact O-N 3.39Å; R260-I262 VanDerWaalsContact O-N 3.16Å; R260-E289 IonicContact CZ-OE1 2.78Å; R260-E289 IonicContact NH1-OE1 2.76Å; R260-E289 PolarHBondContact NH1-OE1 3.38Å; R260-E289 IonicContact NH1-OE2 3.9Å; R260-E289 IonicContact NH2-OE1 2.59Å; R260-E289 PolarHBondContact NH2-OE1 3.45Å; R260-E289 IonicContact NH2-OE2 3Å; R260-T291 PolarHBondContact NH2-OG1 2.78Å
261D95.6Very high96.1Very high115 Ų11550.6 Ų50.662%0.61526%0.264SS*.EExtended strand (participates in β ladder)trans46.247172.1-57.3-40.6000113.3N263 K264 F266 S267D261-N263 PolarHBondContact O-N 2.73Å; D261-K264 PolarHBondContact O-N 2.98Å; D261-F266 CarbonylContact C-O 3.53Å; D261-S267 PolarHBondContact N-OG 3.36Å; D261-S267 PolarHBondContact OD1-OG 2.89Å
262I97.6Very high96.3Very high18 Ų1847.3 Ų47.39%0.09224%0.237CC..EExtended strand (participates in β ladder)trans-60.7112.9-176.4-58.7-57.6000109.3I74 Y116 L126 M259 R260 K264 K265 F266I74-I262 HydrophobicContact CD1-CG2 4.16Å; Y116-I262 HydrophobicContact CD1-CD1 3.93Å; Y116-I262 HydrophobicContact CD1-CG2 3.77Å; Y116-I262 HydrophobicContact CD2-CG2 3.94Å; Y116-I262 HydrophobicContact CE1-CD1 4.38Å; Y116-I262 HydrophobicContact CE1-CG2 4.08Å; Y116-I262 HydrophobicContact CE2-CG2 4.26Å; Y116-I262 HydrophobicContact CG-CG2 3.68Å; L126-I262 HydrophobicContact CD1-CG2 3.59Å; M259-I262 HydrophobicContact CB-CD1 3.92Å; M259-I262 HydrophobicContact CB-CG1 3.65Å; M259-I262 HydrophobicContact CG-CG1 4.45Å; R260-I262 PolarHBondContact O-N 3.39Å; R260-I262 VanDerWaalsContact O-N 3.16Å; I262-K264 PolarHBondContact O-N 3.3Å; I262-K265 PolarHBondContact O-N 2.81Å; I262-F266 HydrophobicContact CB-CD1 3.96Å; I262-F266 HydrophobicContact CB-CE1 3.58Å; I262-F266 HydrophobicContact CB-CE2 4.43Å; I262-F266 HydrophobicContact CB-CZ 3.84Å; I262-F266 HydrophobicContact CG1-CE1 4.21Å; I262-F266 HydrophobicContact CG1-CE2 4.22Å; I262-F266 HydrophobicContact CG1-CZ 3.93Å; I262-F266 HydrophobicContact CG2-CD1 4.29Å; I262-F266 HydrophobicContact CG2-CE1 3.52Å; I262-F266 HydrophobicContact CG2-CZ 3.87Å; I262-F266 PolarHBondContact N-O 2.88Å
263N95.4Very high96.5Very high62 Ų6244.6 Ų44.633%0.33221%0.206SC..THydrogen-bonded Turntrans46.929.4-171.5-158.223.1000113.7I74 Y116 D261 K265I74-N263 HydrophobicContact CD1-CB 3.74Å; Y116-N263 HydrophobicContact CE2-CB 4.13Å; D261-N263 PolarHBondContact O-N 2.73Å; N263-K265 HydrophobicContact CB-CG 4.48Å; N263-K265 PolarHBondContact O-N 2.5Å; N263-K265 VanDerWaalsContact O-N 3.17Å
264K94.9Very high96.6Very high174 Ų17440.7 Ų40.776%0.75719%0.19SC*.THydrogen-bonded Turntrans55.323.2-171.4-52.7177.2-178.7176.40114.4T217 D261 I262T217-K264 WeakPolarHBondContact CG2-O 3.48Å; D261-K264 PolarHBondContact O-N 2.98Å; I262-K264 PolarHBondContact O-N 3.3Å
265K95.4Very high96.8Very high40 Ų4035.2 Ų35.217%0.17417%0.165CC..THydrogen-bonded Turntrans-105.9-37.8-177.4-67.1-59.2-173.6161.50113.5I74 L76 H84 G216 T217 I262 N263I74-K265 HydrophobicContact CD1-CB 4.16Å; I74-K265 HydrophobicContact CD1-CG 4.19Å; I74-K265 HydrophobicContact CG2-CB 4.36Å; L76-K265 HydrophobicContact CD1-CD 4.22Å; H84-K265 PolarHBondContact CD2-NZ 2.9Å; H84-K265 PolarHBondContact CE1-NZ 2.85Å; H84-K265 VanDerWaalsContact CE1-NZ 3.33Å; H84-K265 PolarHBondContact NE2-NZ 2.79Å; G216-K265 PolarHBondContact N-O 3.32Å; T217-K265 HydrophobicContact CG2-CD 4.19Å; I262-K265 PolarHBondContact O-N 2.81Å; N263-K265 HydrophobicContact CB-CG 4.48Å; N263-K265 PolarHBondContact O-N 2.5Å; N263-K265 VanDerWaalsContact O-N 3.17Å
266F97.7Very high96.7Very high5 Ų534.5 Ų34.52%0.02216%0.161CC..EExtended strand (participates in β ladder)trans-153.7163.7179.575.9-80.3000112.7I74 Y119 V124 L126 T214 T215 M259 D261 I262 V268I74-F266 HydrophobicContact CD1-CD1 4.38Å; I74-F266 HydrophobicContact CD1-CE1 4.07Å; I74-F266 HydrophobicContact CG1-CE1 4.38Å; I74-F266 HydrophobicContact CG2-CD1 4.29Å; I74-F266 HydrophobicContact CG2-CE1 4.37Å; Y119-F266 HydrophobicContact CD1-CD2 4.36Å; Y119-F266 AromaticContact CD1-CE2 3.64Å; Y119-F266 HydrophobicContact CD1-CE2 3.64Å; Y119-F266 HydrophobicContact CD1-CZ 4.14Å; Y119-F266 HydrophobicContact CE1-CD2 4.46Å; Y119-F266 HydrophobicContact CE1-CE2 4.11Å; Y119-F266 HydrophobicContact CG-CE2 4.23Å; V124-F266 HydrophobicContact CB-CB 4.49Å; V124-F266 HydrophobicContact CB-CG 4.39Å; V124-F266 HydrophobicContact CG1-CB 4.03Å; V124-F266 HydrophobicContact CG1-CD1 4.33Å; V124-F266 HydrophobicContact CG1-CD2 3.72Å; V124-F266 HydrophobicContact CG1-CE2 4.24Å; V124-F266 HydrophobicContact CG1-CG 3.78Å; V124-F266 HydrophobicContact CG2-CB 4.32Å; V124-F266 HydrophobicContact CG2-CD1 3.67Å; V124-F266 HydrophobicContact CG2-CE1 4.06Å; V124-F266 HydrophobicContact CG2-CG 3.94Å; L126-F266 HydrophobicContact CB-CE1 4.3Å; L126-F266 HydrophobicContact CB-CZ 4.15Å; L126-F266 HydrophobicContact CD1-CE1 3.97Å; L126-F266 HydrophobicContact CD1-CZ 4.01Å; T214-F266 CarbonylContact O-C 3.6Å; T214-F266 WeakPolarHBondContact O-CA 3.3Å; T214-F266 VanDerWaalsContact O-CB 3.29Å; T214-F266 WeakPolarHBondContact O-CB 3.19Å; T215-F266 HydrophobicContact CG2-CB 4.34Å; M259-F266 HydrophobicContact SD-CE2 3.93Å; M259-F266 HydrophobicContact SD-CZ 4.22Å; D261-F266 CarbonylContact C-O 3.53Å; I262-F266 HydrophobicContact CB-CD1 3.96Å; I262-F266 HydrophobicContact CB-CE1 3.58Å; I262-F266 HydrophobicContact CB-CE2 4.43Å; I262-F266 HydrophobicContact CB-CZ 3.84Å; I262-F266 HydrophobicContact CG1-CE1 4.21Å; I262-F266 HydrophobicContact CG1-CE2 4.22Å; I262-F266 HydrophobicContact CG1-CZ 3.93Å; I262-F266 HydrophobicContact CG2-CD1 4.29Å; I262-F266 HydrophobicContact CG2-CE1 3.52Å; I262-F266 HydrophobicContact CG2-CZ 3.87Å; I262-F266 PolarHBondContact N-O 2.88Å; F266-V268 HydrophobicContact CD2-CG2 3.97Å; F266-V268 HydrophobicContact CE2-CG2 3.9Å
267S98.3Very high96.6Very high10 Ų1034.5 Ų34.57%0.0716%0.16CC..EExtended strand (participates in β ladder)trans-135.6145173.6-81.90000110.1E213 T214 M259 D261E213-S267 CarbonylContact C-O 3.57Å; E213-S267 WeakPolarHBondContact CA-O 3.08Å; T214-S267 PolarHBondContact N-O 2.8Å; T214-S267 PolarHBondContact O-N 2.82Å; M259-S267 CarbonylContact O-C 3.48Å; M259-S267 VanDerWaalsContact O-CA 3.26Å; M259-S267 WeakPolarHBondContact O-CA 3.23Å; D261-S267 PolarHBondContact N-OG 3.36Å; D261-S267 PolarHBondContact OD1-OG 2.89Å
268V98.5Very high96.3Very high0 Ų034 Ų340%016%0.156CC..EExtended strand (participates in β ladder)trans-125.4110.1171.1-175.10000107.7Y119 K211 R212 T258 M259 F266 Y270Y119-V268 HydrophobicContact CD1-CG2 4.27Å; Y119-V268 HydrophobicContact CD2-CG2 4.31Å; Y119-V268 HydrophobicContact CE1-CG2 3.71Å; Y119-V268 HydrophobicContact CE2-CG1 4.27Å; Y119-V268 HydrophobicContact CE2-CG2 3.76Å; Y119-V268 VanDerWaalsContact CZ-CG2 3.45Å; K211-V268 HydrophobicContact CD-CG1 4.31Å; K211-V268 HydrophobicContact CG-CG1 3.97Å; R212-V268 WeakPolarHBondContact O-CA 3.36Å; T258-V268 CarbonylContact C-O 3.59Å; T258-V268 WeakPolarHBondContact CA-O 3.45Å; M259-V268 HydrophobicContact CB-CB 4.04Å; M259-V268 HydrophobicContact CB-CG2 4.27Å; M259-V268 HydrophobicContact CG-CB 4.41Å; M259-V268 PolarHBondContact N-O 2.95Å; M259-V268 PolarHBondContact O-N 2.88Å; M259-V268 HydrophobicContact SD-CG2 4.29Å; F266-V268 HydrophobicContact CD2-CG2 3.97Å; F266-V268 HydrophobicContact CE2-CG2 3.9Å; V268-Y270 HydrophobicContact CG1-CE2 4Å
269R98.4Very high96Very high85 Ų8538.6 Ų38.632%0.32118%0.176SC..EExtended strand (participates in β ladder)trans-120.9151.5-175.5-65.2173.872.7-175.21.6110.5K211 R212 T258 Y271 E289K211-R269 CarbonylContact C-O 3.58Å; K211-R269 WeakPolarHBondContact CA-O 3.33Å; R212-R269 PolarHBondContact N-O 2.83Å; R212-R269 PolarHBondContact O-N 2.88Å; T258-R269 HydrophobicContact CG2-CG 4.45Å; R269-Y271 HydrophobicContact CB-CE2 3.66Å; R269-Y271 PolarHBondContact NE-OH 2.94Å; R269-Y271 PolarHBondContact NH1-OH 2.8Å; R269-E289 IonicContact CZ-OE1 3.83Å; R269-E289 IonicContact CZ-OE2 3.29Å; R269-E289 VanDerWaalsContact NE-CD 3.31Å; R269-E289 IonicContact NE-OE1 2.72Å; R269-E289 PolarHBondContact NE-OE1 3.03Å; R269-E289 IonicContact NE-OE2 2.74Å; R269-E289 PolarHBondContact NE-OE2 3.12Å; R269-E289 VanDerWaalsContact NH2-CD 3.27Å; R269-E289 IonicContact NH2-OE1 2.74Å; R269-E289 IonicContact NH2-OE2 3.4Å; R269-E289 PolarHBondContact NH2-OE2 3.32Å
270Y98.4Very high95.8Very high1 Ų144.5 Ų44.50%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-120.4138-177.6-69.6-90.6000109.9I209 I210 K211 I228 M255 T256 V268 E289 I290 L292I209-Y270 HydrophobicContact CG2-CD1 4.3Å; I210-Y270 CarbonylContact O-C 3.35Å; I210-Y270 WeakPolarHBondContact O-CA 3.44Å; K211-Y270 HydrophobicContact CB-CD1 4.09Å; K211-Y270 HydrophobicContact CB-CE1 3.76Å; K211-Y270 HydrophobicContact CD-CE1 4.33Å; K211-Y270 HydrophobicContact CG-CE1 3.9Å; I228-Y270 HydrophobicContact CG1-CE1 4.46Å; M255-Y270 HydrophobicContact CB-CE1 4.38Å; M255-Y270 HydrophobicContact CG-CE1 4.27Å; M255-Y270 HydrophobicContact SD-CE1 4.36Å; T256-Y270 PolarHBondContact N-OH 2.71Å; T256-Y270 WeakPolarHBondContact O-CE2 3.48Å; T256-Y270 PolarHBondContact O-OH 2.85Å; T256-Y270 PolarHBondContact OG1-OH 2.97Å; V268-Y270 HydrophobicContact CG1-CE2 4Å; Y270-E289 WeakPolarHBondContact O-CA 3.4Å; Y270-E289 WeakPolarHBondContact O-CG 3.49Å; Y270-I290 PolarHBondContact O-N 2.83Å; Y270-I290 VanDerWaalsContact O-O 3.07Å; Y270-L292 HydrophobicContact CD1-CD1 3.59Å; Y270-L292 HydrophobicContact CD1-CG 4.45Å; Y270-L292 HydrophobicContact CD2-CB 4.18Å; Y270-L292 HydrophobicContact CD2-CD1 3.6Å; Y270-L292 HydrophobicContact CD2-CG 3.83Å; Y270-L292 HydrophobicContact CE1-CD1 3.82Å; Y270-L292 HydrophobicContact CE2-CB 4.49Å; Y270-L292 HydrophobicContact CE2-CD1 3.84Å; Y270-L292 HydrophobicContact CE2-CG 4.41Å; Y270-L292 HydrophobicContact CG-CD1 3.47Å; Y270-L292 VanDerWaalsContact CG-CD1 3.47Å; Y270-L292 HydrophobicContact CG-CG 3.86Å
271Y98Very high95.6Very high19 Ų1944.8 Ų44.88%0.07521%0.21CC..EExtended strand (participates in β ladder)trans-130.2137.6-177-61.5-95000109.7I209 I210 R212 R269 Q288 E289I209-Y271 WeakPolarHBondContact CA-O 3.37Å; I210-Y271 PolarHBondContact N-O 2.79Å; I210-Y271 PolarHBondContact O-N 3.33Å; R212-Y271 HydrophobicContact CB-CD2 4.31Å; R212-Y271 HydrophobicContact CB-CE2 3.86Å; R269-Y271 HydrophobicContact CB-CE2 3.66Å; R269-Y271 PolarHBondContact NE-OH 2.94Å; R269-Y271 PolarHBondContact NH1-OH 2.8Å; Y271-Q288 WeakPolarHBondContact CA-O 3.39Å; Y271-E289 HydrophobicContact CD1-CB 3.92Å; Y271-E289 HydrophobicContact CD1-CG 4.48Å; Y271-E289 HydrophobicContact CE1-CB 3.76Å; Y271-E289 HydrophobicContact CE1-CG 4.2Å
272L97.6Very high95.5Very high0 Ų043.9 Ų43.90%020%0.198CC..EExtended strand (participates in β ladder)trans-83.7125157.9-67.1178.5000107.5F176 Y178 I189 I207 D208 I209 Q287 Q288 I290F176-L272 HydrophobicContact CE1-CD1 4.11Å; Y178-L272 HydrophobicContact CD1-CD1 4.15Å; Y178-L272 HydrophobicContact CD2-CD1 4.29Å; Y178-L272 HydrophobicContact CE1-CD1 4.01Å; Y178-L272 HydrophobicContact CE2-CD1 4.1Å; Y178-L272 HydrophobicContact CG-CD1 4.27Å; I189-L272 HydrophobicContact CD1-CD1 4.15Å; I189-L272 HydrophobicContact CD1-CD2 3.77Å; I189-L272 HydrophobicContact CD1-CG 4.4Å; I189-L272 HydrophobicContact CG2-CD1 4.22Å; I207-L272 HydrophobicContact CG2-CD2 4.19Å; D208-L272 WeakPolarHBondContact O-CA 3.39Å; I209-L272 HydrophobicContact CG1-CD2 3.96Å; L272-Q287 CarbonylContact O-C 3.57Å; L272-Q287 VanDerWaalsContact O-CA 3.27Å; L272-Q287 WeakPolarHBondContact O-CA 3.38Å; L272-Q288 PolarHBondContact N-O 2.93Å; L272-Q288 PolarHBondContact O-N 3.28Å; L272-I290 HydrophobicContact CD1-CG2 3.78Å; L272-I290 HydrophobicContact CD2-CD1 4.13Å; L272-I290 HydrophobicContact CG-CD1 4.06Å; L272-I290 HydrophobicContact CG-CG1 4.46Å; L272-I290 HydrophobicContact CG-CG2 3.8Å
273N97.1Very high95.3Very high13 Ų1350.9 Ų50.97%0.0722%0.223CC..EExtended strand (participates in β ladder)trans-119.2106.9179.5-179.556.1000108.5I207 D208 I210 V275 K286 Q287I207-N273 WeakPolarHBondContact CA-O 3.36Å; D208-N273 HydrophobicContact CB-CB 4.18Å; D208-N273 PolarHBondContact N-O 2.8Å; D208-N273 PolarHBondContact O-N 2.84Å; D208-N273 PolarHBondContact OD2-ND2 3.32Å; I210-N273 HydrophobicContact CD1-CB 3.56Å; I210-N273 HydrophobicContact CG1-CB 4.09Å; N273-V275 WeakPolarHBondContact ND2-CG2 3.5Å; N273-K286 WeakPolarHBondContact CA-O 3.34Å; N273-Q287 HydrophobicContact CB-CB 4.47Å
274L95.4Very high95.1Very high0 Ų050.4 Ų50.40%022%0.217CC..EExtended strand (participates in β ladder)trans-81.5122.1172.917665.2000108M164 V166 I174 F176 I193 M205 I207 L276 F285 K286M164-L274 HydrophobicContact CE-CB 3.56Å; V166-L274 HydrophobicContact CG2-CD2 3.91Å; V166-L274 HydrophobicContact CG2-CG 4.49Å; I174-L274 HydrophobicContact CG2-CD2 4.48Å; F176-L274 HydrophobicContact CB-CD2 4.16Å; I193-L274 HydrophobicContact CD1-CD1 4.49Å; M205-L274 HydrophobicContact CG-CD1 4.11Å; M205-L274 HydrophobicContact SD-CD1 4.17Å; I207-L274 HydrophobicContact CG1-CD1 3.84Å; L274-L276 HydrophobicContact CD2-CD1 4.27Å; L274-L276 HydrophobicContact CG-CD1 4.01Å; L274-F285 WeakPolarHBondContact O-CA 3.49Å; L274-K286 PolarHBondContact N-O 2.88Å; L274-K286 PolarHBondContact O-N 2.84Å
275V94.6Very high95Very high1 Ų148.5 Ų48.51%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-118.2132.9-178.4-178.10000109.3M205 E206 N273 I277 F285M205-V275 WeakPolarHBondContact CA-O 3.42Å; E206-V275 HydrophobicContact CG-CB 3.73Å; E206-V275 HydrophobicContact CG-CG1 4.3Å; E206-V275 HydrophobicContact CG-CG2 4.29Å; E206-V275 PolarHBondContact N-O 3.45Å; E206-V275 PolarHBondContact O-N 2.91Å; N273-V275 WeakPolarHBondContact ND2-CG2 3.5Å; V275-I277 HydrophobicContact CG1-CG1 4.42Å; V275-F285 HydrophobicContact CG2-CB 4.46Å
276L92.4Very high95Very high2 Ų251.3 Ų51.31%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-127.9139173.4-53.4100.9000110V166 I174 I202 M205 L274 R283 Y284V166-L276 HydrophobicContact CB-CD1 4.12Å; V166-L276 HydrophobicContact CG1-CD1 3.98Å; V166-L276 HydrophobicContact CG2-CD1 3.9Å; I174-L276 HydrophobicContact CD1-CD2 3.31Å; I202-L276 HydrophobicContact CD1-CD2 4.11Å; M205-L276 HydrophobicContact CG-CD2 4.19Å; M205-L276 HydrophobicContact CG-CG 4.1Å; M205-L276 HydrophobicContact SD-CD2 3.86Å; M205-L276 HydrophobicContact SD-CG 4.34Å; L274-L276 HydrophobicContact CD2-CD1 4.27Å; L274-L276 HydrophobicContact CG-CD1 4.01Å; L276-R283 WeakPolarHBondContact O-CA 3.35Å; L276-Y284 PolarHBondContact N-O 2.9Å; L276-Y284 PolarHBondContact O-N 2.84Å
277I93.1Very high94.9Very high29 Ų2954.7 Ų54.715%0.14924%0.237CC..EExtended strand (participates in β ladder)trans-125.8128.6175.5-48.2-178000107.6K203 H204 V275 R282 R283K203-I277 WeakPolarHBondContact CA-O 3.41Å; K203-I277 WeakPolarHBondContact CB-O 3.22Å; K203-I277 PolarHBondContact N-O 3.38Å; H204-I277 HydrophobicContact CB-CB 4.26Å; H204-I277 PolarHBondContact N-O 2.81Å; H204-I277 PolarHBondContact O-N 3.15Å; V275-I277 HydrophobicContact CG1-CG1 4.42Å; I277-R282 WeakPolarHBondContact CA-O 3.28Å; I277-R283 HydrophobicContact CG1-CG 4.29Å
278D91.9Very high94.8Very high2 Ų257.9 Ų57.91%0.01125%0.251CS..EExtended strand (participates in β ladder)trans-92.6176.8176.271.311.1000112.9I200 K201 E280 E281 R282 Y284I200-D278 HydrophobicContact CG2-CB 3.62Å; K201-D278 WeakPolarHBondContact O-CA 3.28Å; K201-D278 WeakPolarHBondContact O-CB 3.32Å; D278-E280 PolarHBondContact O-N 3.29Å; D278-E280 WeakPolarHBondContact OD1-CA 3.47Å; D278-E280 WeakPolarHBondContact OD1-CB 3.18Å; D278-E280 PolarHBondContact OD1-N 2.9Å; D278-E281 PolarHBondContact O-N 3.25Å; D278-E281 VanDerWaalsContact O-N 3.11Å; D278-E281 PolarHBondContact OD1-N 2.98Å; D278-R282 PolarHBondContact N-O 2.92Å; D278-R282 VanDerWaalsContact N-O 3.17Å; D278-R282 WeakPolarHBondContact OD1-CB 3.42Å; D278-R282 PolarHBondContact OD1-N 3.1Å; D278-R282 IonicContact OD1-NE 2.99Å; D278-R282 IonicContact OD2-CZ 3.74Å; D278-R282 IonicContact OD2-NE 2.67Å; D278-R282 PolarHBondContact OD2-NE 2.85Å; D278-R282 IonicContact OD2-NH2 3.36Å; D278-R282 PolarHBondContact OD2-NH2 3.01Å; D278-Y284 HydrophobicContact CB-CE2 4.43Å; D278-Y284 PolarHBondContact OD2-OH 2.92Å
279E91.6Very high94.7Very high117 Ų11759.6 Ų59.655%0.54726%0.259SS..THydrogen-bonded Turntrans-63.1-17.2177.4-72.5-171.9170.600113.9K201 E281K201-E279 HydrophobicContact CB-CG 3.86Å; K201-E279 HydrophobicContact CD-CG 4.45Å; K201-E279 WeakPolarHBondContact CD-OE1 3.34Å; K201-E279 WeakPolarHBondContact CD-OE2 3.34Å; K201-E279 IonicContact NZ-OE1 3.82Å; K201-E279 IonicContact NZ-OE2 3.88Å; K201-E279 PolarHBondContact NZ-OE2 2.91Å; K201-E279 PolarHBondContact O-N 2.77Å; K201-E279 VanDerWaalsContact O-N 3.16Å; E279-E281 VanDerWaalsContact C-N 3.33Å
280E93.1Very high94.6Very high134 Ų13455.5 Ų55.563%0.62624%0.244SC*.THydrogen-bonded Turntrans-93.310.9176.7-67.3173.8-145.900112.2D278 R282D278-E280 PolarHBondContact O-N 3.29Å; D278-E280 WeakPolarHBondContact OD1-CA 3.47Å; D278-E280 WeakPolarHBondContact OD1-CB 3.18Å; D278-E280 PolarHBondContact OD1-N 2.9Å; E280-R282 HydrophobicContact CB-CG 4.21Å; E280-R282 PolarHBondContact O-N 2.89Å; E280-R282 IonicContact OE1-CZ 2.73Å; E280-R282 IonicContact OE1-NH1 3.94Å; E280-R282 IonicContact OE1-NH2 3.07Å; E280-R282 PolarHBondContact OE1-NH2 2.96Å; E280-R282 IonicContact OE2-CZ 2.79Å; E280-R282 IonicContact OE2-NE 3.05Å; E280-R282 IonicContact OE2-NH1 3.27Å; E280-R282 PolarHBondContact OE2-NH1 3.49Å; E280-R282 IonicContact OE2-NH2 3.64Å; E280-R282 PolarHBondContact OE2-NH2 3.06Å
281E93.1Very high94.5Very high114 Ų11457.2 Ų57.253%0.53325%0.254SS..  trans60.819.2-175.4-55.2-64.4151.400114.1K203 D278 E279K203-E281 IonicContact NZ-OE1 3.88Å; K203-E281 PolarHBondContact NZ-OE1 3.43Å; K203-E281 IonicContact NZ-OE2 3.46Å; D278-E281 PolarHBondContact O-N 3.25Å; D278-E281 VanDerWaalsContact O-N 3.11Å; D278-E281 PolarHBondContact OD1-N 2.98Å; E279-E281 VanDerWaalsContact C-N 3.33Å
282R92.4Very high94.4Very high95 Ų9556.4 Ų56.436%0.35825%0.251SS..  trans-76.3134.6172.9-57.6-175.1-64.6-131.6-17.3109.2I277 D278 E280 Y284I277-R282 WeakPolarHBondContact CA-O 3.28Å; D278-R282 PolarHBondContact N-O 2.92Å; D278-R282 VanDerWaalsContact N-O 3.17Å; D278-R282 WeakPolarHBondContact OD1-CB 3.42Å; D278-R282 PolarHBondContact OD1-N 3.1Å; D278-R282 IonicContact OD1-NE 2.99Å; D278-R282 IonicContact OD2-CZ 3.74Å; D278-R282 IonicContact OD2-NE 2.67Å; D278-R282 PolarHBondContact OD2-NE 2.85Å; D278-R282 IonicContact OD2-NH2 3.36Å; D278-R282 PolarHBondContact OD2-NH2 3.01Å; E280-R282 HydrophobicContact CB-CG 4.21Å; E280-R282 PolarHBondContact O-N 2.89Å; E280-R282 IonicContact OE1-CZ 2.73Å; E280-R282 IonicContact OE1-NH1 3.94Å; E280-R282 IonicContact OE1-NH2 3.07Å; E280-R282 PolarHBondContact OE1-NH2 2.96Å; E280-R282 IonicContact OE2-CZ 2.79Å; E280-R282 IonicContact OE2-NE 3.05Å; E280-R282 IonicContact OE2-NH1 3.27Å; E280-R282 PolarHBondContact OE2-NH1 3.49Å; E280-R282 IonicContact OE2-NH2 3.64Å; E280-R282 PolarHBondContact OE2-NH2 3.06Å; R282-Y284 HydrophobicContact CB-CE2 4.08Å; R282-Y284 PolarHBondContact NE-OH 2.88Å
283R93.3Very high94.3Very high166 Ų16657.1 Ų57.163%0.62625%0.254SS*.EExtended strand (participates in β ladder)trans-105.6124.9-177.8-60.3-177.769.4-167.82.2110.8L276 I277L276-R283 WeakPolarHBondContact O-CA 3.35Å; I277-R283 HydrophobicContact CG1-CG 4.29Å
284Y91.8Very high94.2Very high51 Ų5159 Ų5920%0.226%0.26CS..EExtended strand (participates in β ladder)trans-113.6133.7172.1-51.3-80.1000108.4I168 L276 D278 R282I168-Y284 HydrophobicContact CD1-CD1 3.65Å; I168-Y284 HydrophobicContact CD1-CE1 3.17Å; I168-Y284 HydrophobicContact CD1-CE2 4.17Å; I168-Y284 HydrophobicContact CD1-CG 4.31Å; I168-Y284 VanDerWaalsContact CD1-CZ 3.45Å; I168-Y284 HydrophobicContact CG1-CD1 4.33Å; I168-Y284 HydrophobicContact CG1-CE1 4.16Å; L276-Y284 PolarHBondContact N-O 2.9Å; L276-Y284 PolarHBondContact O-N 2.84Å; D278-Y284 HydrophobicContact CB-CE2 4.43Å; D278-Y284 PolarHBondContact OD2-OH 2.92Å; R282-Y284 HydrophobicContact CB-CE2 4.08Å; R282-Y284 PolarHBondContact NE-OH 2.88Å
285F92.9Very high94.1Very high134 Ų13462.9 Ų62.959%0.58828%0.277SS*.EExtended strand (participates in β ladder)trans-143.5146178.461.7-84.9000111.6L274 V275L274-F285 WeakPolarHBondContact O-CA 3.49Å; V275-F285 HydrophobicContact CG2-CB 4.46Å
286K95.1Very high93.6Very high100 Ų10063.8 Ų63.844%0.43529%0.286SS..EExtended strand (participates in β ladder)trans-135.5130.4170.5-171.474.3169.7-168.90108.1M164 V166 N273 L274M164-K286 HydrophobicContact CG-CB 4Å; M164-K286 HydrophobicContact CG-CG 3.39Å; M164-K286 VanDerWaalsContact SD-C 3.6Å; M164-K286 HydrophobicContact SD-CB 3.9Å; M164-K286 HydrophobicContact SD-CG 3.6Å; V166-K286 HydrophobicContact CG2-CB 3.55Å; N273-K286 WeakPolarHBondContact CA-O 3.34Å; L274-K286 PolarHBondContact N-O 2.88Å; L274-K286 PolarHBondContact O-N 2.84Å
287Q95.9Very high92.7Very high75 Ų7568.9 Ų68.935%0.3531%0.314SS..EExtended strand (participates in β ladder)trans-113.2138.6178.366.5-172.3-20.900110.1L272 N273L272-Q287 CarbonylContact O-C 3.57Å; L272-Q287 VanDerWaalsContact O-CA 3.27Å; L272-Q287 WeakPolarHBondContact O-CA 3.38Å; N273-Q287 HydrophobicContact CB-CB 4.47Å
288Q96.3Very high90.8Very high78 Ų7873.1 Ų73.136%0.36434%0.341SS..EExtended strand (participates in β ladder)trans-133.9134172.6-171.661.939.500109.5I162 M164 Y178 Y271 L272I162-Q288 HydrophobicContact CG2-CG 4.09Å; M164-Q288 HydrophobicContact SD-CB 3.69Å; Y178-Q288 WeakPolarHBondContact OH-CG 3.07Å; Y271-Q288 WeakPolarHBondContact CA-O 3.39Å; L272-Q288 PolarHBondContact N-O 2.93Å; L272-Q288 PolarHBondContact O-N 3.28Å
289E96.3Very high88.6Confident35 Ų3577.8 Ų77.816%0.16437%0.369CS..EExtended strand (participates in β ladder)trans-70137.9-180-172.6-178.8-165.600111.2R260 R269 Y270 Y271R260-E289 IonicContact CZ-OE1 2.78Å; R260-E289 IonicContact NH1-OE1 2.76Å; R260-E289 PolarHBondContact NH1-OE1 3.38Å; R260-E289 IonicContact NH1-OE2 3.9Å; R260-E289 IonicContact NH2-OE1 2.59Å; R260-E289 PolarHBondContact NH2-OE1 3.45Å; R260-E289 IonicContact NH2-OE2 3Å; R269-E289 IonicContact CZ-OE1 3.83Å; R269-E289 IonicContact CZ-OE2 3.29Å; R269-E289 VanDerWaalsContact NE-CD 3.31Å; R269-E289 IonicContact NE-OE1 2.72Å; R269-E289 PolarHBondContact NE-OE1 3.03Å; R269-E289 IonicContact NE-OE2 2.74Å; R269-E289 PolarHBondContact NE-OE2 3.12Å; R269-E289 VanDerWaalsContact NH2-CD 3.27Å; R269-E289 IonicContact NH2-OE1 2.74Å; R269-E289 IonicContact NH2-OE2 3.4Å; R269-E289 PolarHBondContact NH2-OE2 3.32Å; Y270-E289 WeakPolarHBondContact O-CA 3.4Å; Y270-E289 WeakPolarHBondContact O-CG 3.49Å; Y271-E289 HydrophobicContact CD1-CB 3.92Å; Y271-E289 HydrophobicContact CD1-CG 4.48Å; Y271-E289 HydrophobicContact CE1-CB 3.76Å; Y271-E289 HydrophobicContact CE1-CG 4.2Å
290I96.1Very high86Confident0 Ų083.5 Ų83.50%039%0.385CS..EExtended strand (participates in β ladder)trans-115.5142.8164.659.1169.6000109.4Y178 Y183 I189 Y270 L272 L292Y178-I290 HydrophobicContact CE2-CG2 4.1Å; Y183-I290 HydrophobicContact CD2-CB 4.35Å; Y183-I290 HydrophobicContact CD2-CG2 4.49Å; Y183-I290 HydrophobicContact CE2-CG2 4.19Å; I189-I290 HydrophobicContact CD1-CD1 3.94Å; Y270-I290 PolarHBondContact O-N 2.83Å; Y270-I290 VanDerWaalsContact O-O 3.07Å; L272-I290 HydrophobicContact CD1-CG2 3.78Å; L272-I290 HydrophobicContact CD2-CD1 4.13Å; L272-I290 HydrophobicContact CG-CD1 4.06Å; L272-I290 HydrophobicContact CG-CG1 4.46Å; L272-I290 HydrophobicContact CG-CG2 3.8Å; I290-L292 HydrophobicContact CD1-CD2 3.98Å; I290-L292 HydrophobicContact CG1-CD2 4.43Å
291T95.9Very high83.2Confident37 Ų3785 Ų8523%0.22739%0.39CS..EExtended strand (participates in β ladder)trans-96.2120.9174.5-57.20000109.7S181 K182 Y183 T258 R260S181-T291 PolarHBondContact O-N 2.87Å; K182-T291 CarbonylContact C-O 3.56Å; K182-T291 VanDerWaalsContact CA-O 3.24Å; K182-T291 WeakPolarHBondContact CA-O 3.27Å; Y183-T291 PolarHBondContact N-O 3.12Å; T258-T291 HydrophobicContact CG2-CG2 4.42Å; T258-T291 WeakPolarHBondContact OG1-CA 3.38Å; R260-T291 PolarHBondContact NH2-OG1 2.78Å
292L96.7Very high80.8Confident2 Ų285 Ų851%0.0140%0.403CS..EExtended strand (participates in β ladder)trans-93.5139.2172.8-59.3-170.3000110.3Y183 L185 L250 M255 P257 T258 Y270 I290Y183-L292 CarbonylContact O-C 3.58Å; Y183-L292 VanDerWaalsContact O-CA 3.29Å; Y183-L292 WeakPolarHBondContact O-CA 3.37Å; L185-L292 HydrophobicContact CD2-CB 4.01Å; L185-L292 HydrophobicContact CD2-CD1 4.36Å; L250-L292 HydrophobicContact CD1-CD2 4.11Å; M255-L292 HydrophobicContact CB-CD1 4.06Å; M255-L292 HydrophobicContact CE-CD1 4.04Å; M255-L292 HydrophobicContact CG-CD1 4.35Å; M255-L292 HydrophobicContact SD-CD1 3.5Å; M255-L292 VanDerWaalsContact SD-CD1 3.5Å; P257-L292 WeakPolarHBondContact CA-O 3.07Å; T258-L292 PolarHBondContact N-O 2.77Å; T258-L292 PolarHBondContact OG1-N 2.99Å; Y270-L292 HydrophobicContact CD1-CD1 3.59Å; Y270-L292 HydrophobicContact CD1-CG 4.45Å; Y270-L292 HydrophobicContact CD2-CB 4.18Å; Y270-L292 HydrophobicContact CD2-CD1 3.6Å; Y270-L292 HydrophobicContact CD2-CG 3.83Å; Y270-L292 HydrophobicContact CE1-CD1 3.82Å; Y270-L292 HydrophobicContact CE2-CB 4.49Å; Y270-L292 HydrophobicContact CE2-CD1 3.84Å; Y270-L292 HydrophobicContact CE2-CG 4.41Å; Y270-L292 HydrophobicContact CG-CD1 3.47Å; Y270-L292 VanDerWaalsContact CG-CD1 3.47Å; Y270-L292 HydrophobicContact CG-CG 3.86Å; I290-L292 HydrophobicContact CD1-CD2 3.98Å; I290-L292 HydrophobicContact CG1-CD2 4.43Å
293W95.6Very high78.1Confident14 Ų1488.2 Ų88.25%0.05342%0.423CS..EExtended strand (participates in β ladder)trans-139.2154.7178.560.2-82000112.2S153 Y155 Y183 H184 L185 K295S153-W293 WeakPolarHBondContact O-CZ3 3.45Å; Y155-W293 AromaticContact CD1-CH2 3.89Å; Y155-W293 HydrophobicContact CD1-CH2 3.89Å; Y155-W293 AromaticContact CD1-CZ2 3.69Å; Y155-W293 HydrophobicContact CD1-CZ2 3.69Å; Y155-W293 AromaticContact CD2-CH2 3.87Å; Y155-W293 HydrophobicContact CD2-CH2 3.87Å; Y155-W293 AromaticContact CE1-CH2 3.97Å; Y155-W293 HydrophobicContact CE1-CH2 3.97Å; Y155-W293 AromaticContact CE1-CZ2 3.77Å; Y155-W293 HydrophobicContact CE1-CZ2 3.77Å; Y155-W293 AromaticContact CE2-CH2 3.96Å; Y155-W293 HydrophobicContact CE2-CH2 3.96Å; Y155-W293 AromaticContact CG-CH2 3.83Å; Y155-W293 HydrophobicContact CG-CH2 3.83Å; Y155-W293 HydrophobicContact CG-CZ2 4.07Å; Y183-W293 PolarHBondContact O-N 3.03Å; Y183-W293 PolarHBondContact O-NE1 2.83Å; H184-W293 CarbonylContact C-O 3.56Å; H184-W293 WeakPolarHBondContact CA-O 3.44Å; H184-W293 HydrophobicContact CB-CD2 3.99Å; H184-W293 HydrophobicContact CB-CE3 4.26Å; H184-W293 HydrophobicContact CB-CH2 4.11Å; H184-W293 HydrophobicContact CB-CZ2 3.79Å; H184-W293 HydrophobicContact CB-CZ3 4.33Å; L185-W293 PolarHBondContact N-O 2.8Å; W293-K295 HydrophobicContact CE3-CB 4.11Å; W293-K295 HydrophobicContact CH2-CB 3.94Å; W293-K295 HydrophobicContact CH2-CD 4.22Å; W293-K295 HydrophobicContact CH2-CG 4.02Å; W293-K295 VanDerWaalsContact CZ3-CA 3.44Å; W293-K295 HydrophobicContact CZ3-CB 3.5Å; W293-K295 VanDerWaalsContact CZ3-CB 3.5Å; W293-K295 HydrophobicContact CZ3-CG 3.83Å
294R94.8Very high75.4Confident52 Ų5284 Ų8420%0.19642%0.419CS..  trans-93.1112.9177.6-172.3176.3-66.4-78.21109.7E117 T151 L152 S153 L185 P257E117-R294 IonicContact OE1-CZ 3.26Å; E117-R294 VanDerWaalsContact OE1-CZ 3.27Å; E117-R294 IonicContact OE1-NE 3.26Å; E117-R294 PolarHBondContact OE1-NE 3.31Å; E117-R294 IonicContact OE1-NH2 3.75Å; E117-R294 PolarHBondContact OE1-NH2 3.05Å; E117-R294 IonicContact OE2-CZ 3.76Å; E117-R294 IonicContact OE2-NE 2.91Å; E117-R294 PolarHBondContact OE2-NE 2.86Å; T151-R294 WeakPolarHBondContact O-CB 3.43Å; L152-R294 HydrophobicContact CD2-CG 3.95Å; S153-R294 PolarHBondContact N-O 2.85Å; L185-R294 HydrophobicContact CD1-CB 4.23Å; L185-R294 HydrophobicContact CD1-CG 4.37Å; P257-R294 HydrophobicContact CG-CB 3.9Å
295K92.4Very high72.9Confident83 Ų8386.1 Ų86.136%0.36144%0.442SS..BIsolated β-bridgetrans-72.1128.3172.8-175174.3176.41760109.7Y155 H184 W293Y155-K295 HydrophobicContact CE2-CD 4.22Å; Y155-K295 PolarHBondContact OH-NZ 3.33Å; H184-K295 HydrophobicContact CB-CB 3.86Å; W293-K295 HydrophobicContact CE3-CB 4.11Å; W293-K295 HydrophobicContact CH2-CB 3.94Å; W293-K295 HydrophobicContact CH2-CD 4.22Å; W293-K295 HydrophobicContact CH2-CG 4.02Å; W293-K295 VanDerWaalsContact CZ3-CA 3.44Å; W293-K295 HydrophobicContact CZ3-CB 3.5Å; W293-K295 VanDerWaalsContact CZ3-CB 3.5Å; W293-K295 HydrophobicContact CZ3-CG 3.83Å
296G85.3Confident70.5Confident20 Ų2087 Ų8721%0.20645%0.448CS..PPolyproline II helixtrans-61.3143.7170.100000111.5V298G296-V298 PolarHBondContact O-N 3.45Å; G296-V298 VanDerWaalsContact O-N 3.1Å
297D73.4Confident67.8Low109 Ų10985.3 Ų85.358%0.58345%0.453SS*.PPolyproline II helixtrans-58.6118.2165.2-69.3-27.1000106.7K23 V299K23-D297 IonicContact NZ-OD2 3.74Å; K23-D297 PolarHBondContact NZ-OD2 2.92Å; D297-V299 PolarHBondContact O-N 2.97Å
298V52.9Low65.1Low118 Ų11886.2 Ų86.272%0.71546%0.463SS*.  trans-67.490.8168.2-179.50000105.4G296 R300G296-V298 PolarHBondContact O-N 3.45Å; G296-V298 VanDerWaalsContact O-N 3.1Å; V298-R300 VanDerWaalsContact C-N 3.27Å; V298-R300 PolarHBondContact O-N 3.23Å
299V45.8Very low62.6Low99 Ų9987.2 Ų87.260%0.647%0.47SS*.  trans-63.4104.4160.7-166.90000103.4D297 K301D297-V299 PolarHBondContact O-N 2.97Å; V299-K301 HydrophobicContact CG1-CB 4.43Å; V299-K301 HydrophobicContact CG1-CG 3.77Å; V299-K301 PolarHBondContact O-N 3.37Å
300R35.8Very low59.9Low237 Ų23787.9 Ų87.989%0.89449%0.486SS*.  trans-61.968.3155-83.9-175.8175.2172-1.7106.6V298 S302V298-R300 VanDerWaalsContact C-N 3.27Å; V298-R300 PolarHBondContact O-N 3.23Å; R300-S302 PolarHBondContact O-N 2.79Å
301K36.2Very low57.3Low165 Ų16590.9 Ų90.972%0.71751%0.511SS*.  trans-63.1116.3151.6-89.9178178.6-179.90102.3V299 M303V299-K301 HydrophobicContact CG1-CB 4.43Å; V299-K301 HydrophobicContact CG1-CG 3.77Å; V299-K301 PolarHBondContact O-N 3.37Å; K301-M303 PolarHBondContact O-N 2.87Å
302S41.6Very low54.7Low115 Ų11595.8 Ų95.880%0.80453%0.532SS*.  trans-45.299.9161.3540000106.2R300 S304R300-S302 PolarHBondContact O-N 2.79Å; S302-S304 PolarHBondContact O-N 3.05Å
303M35.8Very low52.2Low162 Ų162105.6 Ų105.680%0.79857%0.568SS**  trans-66.2113.1174.8-87.4-140.5-80.500105K301K301-M303 PolarHBondContact O-N 2.87Å
304S37.7Very low49.7Very low77 Ų77112.6 Ų112.654%0.53860%0.6SS.*  trans-39.4144.1165.643.30000110.3S302 Q306S302-S304 PolarHBondContact O-N 3.05Å; S304-Q306 PolarHBondContact O-N 2.82Å
305S37.7Very low47.3Very low96 Ų96117.4 Ų117.467%0.67162%0.624SS**THydrogen-bonded Turntrans-55.626177400000116.2
306Q42.5Very low44.8Very low153 Ų153115.6 Ų115.672%0.71563%0.629SS**THydrogen-bonded Turntrans-104.2-18.1179.1-79.9177.8-26.400114S304S304-Q306 PolarHBondContact O-N 2.82Å
307A38.4Very low43Very low65 Ų65117.2 Ų117.254%0.53764%0.638SS.*Hα-helixtrans-76.2-22.6173.600000113.2
308T39.5Very low41.8Very low93 Ų93116.4 Ų116.457%0.57164%0.636SS**Hα-helixtrans-78.9-24.1179.1-260000112.7
309I43.6Very low41.6Very low99 Ų99114.2 Ų114.251%0.50863%0.626SS.*Hα-helixtrans-80.1-28.9-178.9-59.3174.2000111.4
310G40.3Very low41.8Very low49 Ų49112.4 Ų112.451%0.50562%0.618SS.*Hα-helixtrans-71.4-34.8174.900000113.5
311A41.6Very low42.5Very low63 Ų63108 Ų10852%0.52161%0.607SS.*Hα-helixtrans-73.1-34.4179.100000112.8R313 F314A311-R313 VanDerWaalsContact C-N 3.33Å; A311-R313 PolarHBondContact O-N 3.17Å; A311-F314 PolarHBondContact O-N 2.76Å
312Q41.5Very low43.3Very low141 Ų141103.3 Ų103.366%0.65960%0.596SS**Hα-helixtrans-73.8-19.6177.5-76.1-176.6-30.800114.1
313R43.5Very low43.9Very low208 Ų208100.7 Ų100.779%0.78558%0.581SS**Hα-helixtrans-79.3-22175.2-81.3-173.5176-176.1-0.7113.6A311A311-R313 VanDerWaalsContact C-N 3.33Å; A311-R313 PolarHBondContact O-N 3.17Å
314F43.2Very low44.7Very low161 Ų16199.2 Ų99.271%0.70658%0.576SS**Hα-helixtrans-89.8-25.7-178.6-147.8-95.9000112.9A311 S317A311-F314 PolarHBondContact O-N 2.76Å; F314-S317 PolarHBondContact O-OG 3.04Å
315E44.6Very low45.4Very low152 Ų152103 Ų10371%0.7159%0.585SS**Hα-helixtrans-76.2-25172.5-73.6-176.1156.500113.1S319E315-S319 PolarHBondContact O-OG 3.5Å
316G40.5Very low46.1Very low46 Ų46106.2 Ų106.247%0.47459%0.587SS.*Hα-helixtrans-73.5-22.4179.200000115S319G316-S319 PolarHBondContact O-OG 3.4Å
317S46.2Very low46.5Very low54 Ų54101.7 Ų101.738%0.37858%0.575SS.*Hα-helixtrans-89.2-25.3-179.355.30000113.6F314 S320F314-S317 PolarHBondContact O-OG 3.04Å; S317-S320 PolarHBondContact O-OG 2.74Å; S317-S320 VanDerWaalsContact O-OG 3.06Å
318V49.3Very low47.2Very low91 Ų91101.9 Ų101.955%0.55258%0.577SS**Hα-helixtrans-79.6-30-179.6-174.30000111.2
319S48.9Very low47.9Very low73 Ų73107.6 Ų107.651%0.5159%0.588SS.*Hα-helixtrans-73.1-30.3177.952.10000113.2E315 G316 S322E315-S319 PolarHBondContact O-OG 3.5Å; G316-S319 PolarHBondContact O-OG 3.4Å; S319-S322 PolarHBondContact O-OG 2.72Å; S319-S322 VanDerWaalsContact O-OG 3.11Å
320S50.2Low48.4Very low61 Ų61110.6 Ų110.643%0.42760%0.6SS.*Hα-helixtrans-77.2-34.5178.951.60000113.8S317 A323 L324S317-S320 PolarHBondContact O-OG 2.74Å; S317-S320 VanDerWaalsContact O-OG 3.06Å; S320-A323 PolarHBondContact O-N 3.29Å; S320-L324 PolarHBondContact O-N 2.97Å
321E49.8Very low48.9Very low143 Ų143115.9 Ų115.967%0.66862%0.617SS**Hα-helixtrans-67.4-39.6175.8-78.9-177155.300112A323 L324 E325E321-A323 VanDerWaalsContact C-N 3.28Å; E321-A323 PolarHBondContact O-N 2.74Å; E321-L324 PolarHBondContact O-N 3.2Å; E321-E325 PolarHBondContact O-N 2.84Å
322S54Low49.5Very low68 Ų68117.6 Ų117.648%0.47663%0.625SS.*Hα-helixtrans-69-23.217874.60000114.4S319S319-S322 PolarHBondContact O-OG 2.72Å; S319-S322 VanDerWaalsContact O-OG 3.11Å
323A52.2Low49.6Very low60 Ų60118.5 Ų118.550%0.49666%0.657SS.*Hα-helixtrans-80.2-35177.900000112.2S320 E321 A327S320-A323 PolarHBondContact O-N 3.29Å; E321-A323 VanDerWaalsContact C-N 3.28Å; E321-A323 PolarHBondContact O-N 2.74Å; A323-A327 PolarHBondContact O-N 3.21Å
324L53.5Low49.9Very low130 Ų130114.1 Ų114.168%0.68165%0.65SS**Hα-helixtrans-71-34.5176.1-82.4155000112.2S320 E321 A328S320-L324 PolarHBondContact O-N 2.97Å; E321-L324 PolarHBondContact O-N 3.2Å; L324-A328 PolarHBondContact O-N 3.46Å
325E51.6Low50.2Low156 Ų156111.6 Ų111.673%0.72965%0.648SS**Hα-helixtrans-72.6-26.5178.2-122.3-179.9175.800113.6E321E321-E325 PolarHBondContact O-N 2.84Å
326K52.4Low50.6Low164 Ų164109.3 Ų109.371%0.71364%0.644SS**Hα-helixtrans-78.6-38.3174-85-177.8176-178.70112.8A328 R329K326-A328 VanDerWaalsContact C-N 3.32Å; K326-A328 PolarHBondContact O-N 3.23Å; K326-R329 PolarHBondContact O-N 3.16Å
327A52.1Low51.2Low58 Ų58113.1 Ų113.148%0.47965%0.654SS.*Hα-helixtrans-65.4-34.6177.200000112.4A323 R329 E330A323-A327 PolarHBondContact O-N 3.21Å; A327-R329 PolarHBondContact O-N 3.11Å; A327-E330 PolarHBondContact O-N 2.57Å
328A52.8Low51.5Low70 Ų70116.8 Ų116.858%0.57967%0.671SS**Hα-helixtrans-70.5-15.8178.300000114.4L324 K326L324-A328 PolarHBondContact O-N 3.46Å; K326-A328 VanDerWaalsContact C-N 3.32Å; K326-A328 PolarHBondContact O-N 3.23Å
329R54.8Low51.6Low212 Ų212118.5 Ų118.580%0.868%0.679SS**Hα-helixtrans-93.8-16.6177.8-87.1-176.3173.5-179.80.9114.1K326 A327K326-R329 PolarHBondContact O-N 3.16Å; A327-R329 PolarHBondContact O-N 3.11Å
330E53Low51.8Low163 Ų163121.7 Ų121.776%0.76269%0.691SS**Hα-helixtrans-87.6-18.3178-74.6-178.8163.200113.1A327 S332A327-E330 PolarHBondContact O-N 2.57Å; E330-S332 VanDerWaalsContact C-N 3.35Å
331D52.3Low51.9Low160 Ų160126.4 Ų126.486%0.85671%0.712SS**THydrogen-bonded Turntrans-89.19.5176.5-91.5-18.7000114.4
332S52.6Low52.1Low99 Ų99125 Ų12569%0.69272%0.715SS**THydrogen-bonded Turntrans-126.727.3-179.247.80000114.9E330E330-S332 VanDerWaalsContact C-N 3.35Å
333A44.1Very low51.9Low160 Ų160130.2 Ų130.2100%1.32274%0.737SS**  trans-123.20170.500000112.3

Retrieved 333 of 333 residues in 282.6 ms (Link to these results)

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