A0A3B3UKI5_9TELE Loading...

DnaJ homolog subfamily A member 2

Co-chaperone of Hsc70. Stimulates ATP hydrolysis and the folding of unfolded proteins mediated by HSPA1A/B (in vitro).

AlphaFold DB , UniProt , Accession A0A3B3UKI5, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 413 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
1M48.1Very low76.3Confident235 Ų23581.2 Ų81.2100%1.15845%0.448SS*.  0125.40-73.1167.516900106.4N3M1-N3 PolarHBondContact O-N 3.47Å
2A53.3Low77.2Confident61 Ų6177.8 Ų77.850%0.50443%0.428SS..  trans-65.3122.3174.100000107.7V4A2-V4 HydrophobicContact CB-CG2 4.25Å; A2-V4 PolarHBondContact O-N 3.16Å
3N66.9Low78Confident167 Ų16772.2 Ų72.289%0.89340%0.397SS*.  trans-75.7101.9176.9-92.2-12.1000108.1M1M1-N3 PolarHBondContact O-N 3.47Å
4V78.3Confident78.7Confident31 Ų3171.9 Ų71.919%0.18842%0.419CS..  trans-117.8136.3177.2-175.90000107.5A2 D6 Y10 P17 D67A2-V4 HydrophobicContact CB-CG2 4.25Å; A2-V4 PolarHBondContact O-N 3.16Å; V4-D6 VanDerWaalsContact C-N 3.27Å; V4-D6 WeakPolarHBondContact CG1-O 3.42Å; V4-D6 PolarHBondContact O-N 3.26Å; V4-Y10 HydrophobicContact CG1-CE2 3.92Å; V4-P17 HydrophobicContact CG2-CB 3.75Å; V4-D67 HydrophobicContact CG1-CB 4.15Å; V4-D67 WeakPolarHBondContact CG1-OD1 3.44Å
5A75.2Confident79.5Confident66 Ų6668.8 Ų68.855%0.54540%0.401SS..SBendtrans-66.6-26.5-177.200000113.6D67A5-D67 PolarHBondContact N-O 2.8Å
6D81Confident80.1Confident42 Ų4268.5 Ų68.523%0.22540%0.404CS..  trans-151.1136.4-179.2-173.4-9.2000110.4V4 R8 Y66V4-D6 VanDerWaalsContact C-N 3.27Å; V4-D6 WeakPolarHBondContact CG1-O 3.42Å; V4-D6 PolarHBondContact O-N 3.26Å; D6-R8 VanDerWaalsContact OD1-CB 3.25Å; D6-R8 WeakPolarHBondContact OD1-CB 3.5Å; D6-R8 PolarHBondContact OD1-N 3.26Å; D6-Y66 HydrophobicContact CB-CE2 4.07Å; D6-Y66 VanDerWaalsContact CG-OH 3.23Å; D6-Y66 WeakPolarHBondContact O-CE1 3.24Å; D6-Y66 PolarHBondContact O-OH 3.21Å; D6-Y66 PolarHBondContact OD1-OH 2.96Å; D6-Y66 PolarHBondContact OD2-OH 2.81Å
7T85.5Confident80.5Confident64 Ų6466.6 Ų66.639%0.39339%0.394SS..  trans-100.6-6.8-179.761.90000114L9 Y10 D11 P17T7-L9 PolarHBondContact O-N 3.04Å; T7-Y10 WeakPolarHBondContact O-CA 3.45Å; T7-Y10 WeakPolarHBondContact O-CB 3.49Å; T7-Y10 PolarHBondContact O-N 2.81Å; T7-D11 WeakPolarHBondContact CB-OD2 3.32Å; T7-D11 VanDerWaalsContact O-CG 3.29Å; T7-D11 PolarHBondContact O-N 3.48Å; T7-D11 PolarHBondContact OG1-OD2 2.86Å; T7-P17 HydrophobicContact CG2-CG 4.21Å
8R85.9Confident80.6Confident124 Ų12468 Ų6847%0.46841%0.408SS..Hα-helixtrans-54.4-43.4-168.7-174.2179.8177.3179.53.1114.4D6 Y10 D11 I12 Y66 E71D6-R8 VanDerWaalsContact OD1-CB 3.25Å; D6-R8 WeakPolarHBondContact OD1-CB 3.5Å; D6-R8 PolarHBondContact OD1-N 3.26Å; R8-Y10 VanDerWaalsContact C-N 3.33Å; R8-Y10 PolarHBondContact O-N 3.27Å; R8-D11 PolarHBondContact O-N 3.23Å; R8-I12 HydrophobicContact CG-CD1 4.21Å; R8-I12 VanDerWaalsContact O-CG1 3.29Å; R8-I12 WeakPolarHBondContact O-CG1 3.21Å; R8-I12 PolarHBondContact O-N 3.5Å; R8-Y66 PolarHBondContact N-OH 3.47Å; R8-E71 WeakPolarHBondContact CD-OE1 3.09Å; R8-E71 IonicContact CZ-OE1 2.9Å; R8-E71 IonicContact CZ-OE2 3.15Å; R8-E71 IonicContact NE-OE1 3.72Å; R8-E71 IonicContact NH1-OE1 3.44Å; R8-E71 PolarHBondContact NH1-OE1 3.14Å; R8-E71 IonicContact NH1-OE2 2.71Å; R8-E71 PolarHBondContact NH1-OE2 3.29Å
9L87.4Confident80.9Confident1 Ų164.8 Ų64.81%0.00539%0.389CS..Hα-helixtrans-70.5-30.4179.7-61.3-176.4000112.5T7 I12 L13 F52 A53 V56 L57 Y66T7-L9 PolarHBondContact O-N 3.04Å; L9-I12 HydrophobicContact CD2-CD1 4.18Å; L9-L13 PolarHBondContact O-N 2.71Å; L9-F52 HydrophobicContact CD1-CE1 4.39Å; L9-F52 HydrophobicContact CD2-CD1 3.84Å; L9-F52 HydrophobicContact CD2-CE1 3.86Å; L9-A53 HydrophobicContact CB-CB 4.08Å; L9-A53 HydrophobicContact CD2-CB 3.98Å; L9-V56 HydrophobicContact CD1-CB 3.74Å; L9-V56 HydrophobicContact CD1-CG1 3.51Å; L9-V56 HydrophobicContact CD1-CG2 4.15Å; L9-L57 HydrophobicContact CB-CD1 3.93Å; L9-L57 HydrophobicContact CB-CD2 4.39Å; L9-L57 HydrophobicContact CB-CG 4.14Å; L9-Y66 HydrophobicContact CB-CE1 3.73Å; L9-Y66 HydrophobicContact CD1-CD1 3.98Å; L9-Y66 HydrophobicContact CD1-CD2 3.8Å; L9-Y66 HydrophobicContact CD1-CE1 3.8Å; L9-Y66 HydrophobicContact CD1-CE2 3.61Å; L9-Y66 HydrophobicContact CD1-CG 3.97Å; L9-Y66 HydrophobicContact CG-CD2 4.46Å; L9-Y66 HydrophobicContact CG-CE1 3.84Å; L9-Y66 HydrophobicContact CG-CE2 3.78Å; L9-Y66 VanDerWaalsContact CG-CZ 3.43Å; L9-Y66 WeakPolarHBondContact CG-OH 3.2Å; L9-Y66 PolarHBondContact N-OH 3.37Å
10Y89.6Confident81.2Confident0 Ų065.3 Ų65.30%039%0.393CS..Hα-helixtrans-71.2-39.5173.7-64.6-79.8000110.9V4 T7 R8 L13 G14 V15 P17 L57 K63 Y66 D67V4-Y10 HydrophobicContact CG1-CE2 3.92Å; T7-Y10 WeakPolarHBondContact O-CA 3.45Å; T7-Y10 WeakPolarHBondContact O-CB 3.49Å; T7-Y10 PolarHBondContact O-N 2.81Å; R8-Y10 VanDerWaalsContact C-N 3.33Å; R8-Y10 PolarHBondContact O-N 3.27Å; Y10-L13 CarbonylContact O-C 3.59Å; Y10-L13 PolarHBondContact O-N 2.93Å; Y10-G14 PolarHBondContact O-N 3.49Å; Y10-V15 WeakPolarHBondContact CB-O 3.2Å; Y10-V15 HydrophobicContact CD1-CG2 4.07Å; Y10-V15 PolarHBondContact O-N 3.03Å; Y10-P17 HydrophobicContact CD2-CB 4.3Å; Y10-P17 HydrophobicContact CD2-CG 4.35Å; Y10-P17 HydrophobicContact CE2-CB 4.33Å; Y10-P17 HydrophobicContact CG-CB 4.4Å; Y10-P17 HydrophobicContact CG-CG 4.33Å; Y10-L57 HydrophobicContact CD1-CD1 3.67Å; Y10-L57 HydrophobicContact CD1-CD2 4.24Å; Y10-L57 HydrophobicContact CD2-CD1 4.5Å; Y10-L57 HydrophobicContact CD2-CD2 4.31Å; Y10-L57 HydrophobicContact CE1-CD1 3.84Å; Y10-L57 HydrophobicContact CE1-CD2 3.65Å; Y10-L57 HydrophobicContact CE1-CG 4.31Å; Y10-L57 HydrophobicContact CE2-CD2 3.72Å; Y10-L57 HydrophobicContact CG-CD1 4.04Å; Y10-K63 WeakPolarHBondContact OH-CE 3.44Å; Y10-Y66 HydrophobicContact CD2-CE1 4.12Å; Y10-Y66 HydrophobicContact CE2-CD1 4.17Å; Y10-Y66 AromaticContact CE2-CE1 3.9Å; Y10-Y66 HydrophobicContact CE2-CE1 3.9Å; Y10-D67 WeakPolarHBondContact CE2-OD1 3.5Å; Y10-D67 PolarHBondContact OH-OD1 3.19Å; Y10-D67 PolarHBondContact OH-OD2 3.22Å
11D88.1Confident81.3Confident102 Ų10267.1 Ų67.155%0.54540%0.397SS..Hα-helixtrans-66-38.8177.6-62.6-35.4000111.8T7 R8 L13 G14T7-D11 WeakPolarHBondContact CB-OD2 3.32Å; T7-D11 VanDerWaalsContact O-CG 3.29Å; T7-D11 PolarHBondContact O-N 3.48Å; T7-D11 PolarHBondContact OG1-OD2 2.86Å; R8-D11 PolarHBondContact O-N 3.23Å; D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 2.87Å; D11-G14 PolarHBondContact O-N 2.89Å
12I87.4Confident83Confident41 Ų4161.9 Ų61.921%0.2137%0.374CS..Hα-helixtrans-60.8-39.3174.7-72.5164.7000111.8R8 L9 G14 E49 I50 A53R8-I12 HydrophobicContact CG-CD1 4.21Å; R8-I12 VanDerWaalsContact O-CG1 3.29Å; R8-I12 WeakPolarHBondContact O-CG1 3.21Å; R8-I12 PolarHBondContact O-N 3.5Å; L9-I12 HydrophobicContact CD2-CD1 4.18Å; I12-G14 VanDerWaalsContact C-N 3.31Å; I12-E49 HydrophobicContact CG2-CB 4.36Å; I12-I50 HydrophobicContact CG2-CG1 4.14Å; I12-A53 HydrophobicContact CB-CB 4.15Å; I12-A53 HydrophobicContact CG2-CB 3.85Å
13L87.3Confident84.6Confident5 Ų563.7 Ų63.73%0.02637%0.372CS..Hα-helixtrans-83.6-8.1175.4-66.3-176.6000112.9L9 Y10 D11 V15 L24 A27 L31 I50 A53 L57L9-L13 PolarHBondContact O-N 2.71Å; Y10-L13 CarbonylContact O-C 3.59Å; Y10-L13 PolarHBondContact O-N 2.93Å; D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 2.87Å; L13-V15 VanDerWaalsContact C-N 3.32Å; L13-V15 HydrophobicContact CB-CG2 3.95Å; L13-V15 PolarHBondContact O-N 2.91Å; L13-L24 HydrophobicContact CD1-CD2 3.74Å; L13-A27 WeakPolarHBondContact O-CB 3.36Å; L13-L31 HydrophobicContact CD2-CD1 4.32Å; L13-I50 HydrophobicContact CD2-CG2 4.01Å; L13-A53 HydrophobicContact CD1-CB 4.26Å; L13-A53 HydrophobicContact CD2-CB 4.2Å; L13-A53 HydrophobicContact CG-CB 3.85Å; L13-L57 HydrophobicContact CD1-CD1 3.92Å
14G87.6Confident85.6Confident68 Ų6855.9 Ų55.970%0.70133%0.33SS*.THydrogen-bonded Turntrans64.334.2-176.800000113.3Y10 D11 I12Y10-G14 PolarHBondContact O-N 3.49Å; D11-G14 PolarHBondContact O-N 2.89Å; I12-G14 VanDerWaalsContact C-N 3.31Å
15V90.7Very high86Confident25 Ų2557.4 Ų57.415%0.15233%0.334CS..  trans-119.6160-179.1-64.40000111.9Y10 L13 A19 L24 A27Y10-V15 WeakPolarHBondContact CB-O 3.2Å; Y10-V15 HydrophobicContact CD1-CG2 4.07Å; Y10-V15 PolarHBondContact O-N 3.03Å; L13-V15 VanDerWaalsContact C-N 3.32Å; L13-V15 HydrophobicContact CB-CG2 3.95Å; L13-V15 PolarHBondContact O-N 2.91Å; V15-A19 HydrophobicContact CB-CB 3.83Å; V15-A19 HydrophobicContact CG2-CB 4.05Å; V15-L24 HydrophobicContact CG2-CD2 3.62Å; V15-A27 HydrophobicContact CG1-CB 3.51Å
16S89Confident86.7Confident64 Ų6462.1 Ų62.145%0.44834%0.342SS..  trans-71.4151.2173.5178.30000111.4S18 A19S16-S18 PolarHBondContact O-N 3.03Å; S16-S18 PolarHBondContact OG-N 2.8Å; S16-S18 PolarHBondContact OG-OG 3.34Å; S16-A19 WeakPolarHBondContact O-CB 3.4Å; S16-A19 PolarHBondContact O-N 3.11Å
17P86.3Confident87.1Confident37 Ų3760.9 Ų60.924%0.2434%0.338CS..THydrogen-bonded Turntrans-57.1-19.4167.8-25.534.7000114.5V4 T7 Y10 A19V4-P17 HydrophobicContact CG2-CB 3.75Å; T7-P17 HydrophobicContact CG2-CG 4.21Å; Y10-P17 HydrophobicContact CD2-CB 4.3Å; Y10-P17 HydrophobicContact CD2-CG 4.35Å; Y10-P17 HydrophobicContact CE2-CB 4.33Å; Y10-P17 HydrophobicContact CG-CB 4.4Å; Y10-P17 HydrophobicContact CG-CG 4.33Å; P17-A19 VanDerWaalsContact C-N 3.34Å
18S83.2Confident87.3Confident91 Ų9160.2 Ų60.264%0.63633%0.328SS*.THydrogen-bonded Turntrans-89.56.7173.462.30000114.4S16S16-S18 PolarHBondContact O-N 3.03Å; S16-S18 PolarHBondContact OG-N 2.8Å; S16-S18 PolarHBondContact OG-OG 3.34Å
19A85.6Confident87.4Confident7 Ų763.1 Ų63.16%0.05834%0.339CS..  trans-62.8137.9-174.900000112.5V15 S16 P17 E23 L24V15-A19 HydrophobicContact CB-CB 3.83Å; V15-A19 HydrophobicContact CG2-CB 4.05Å; S16-A19 WeakPolarHBondContact O-CB 3.4Å; S16-A19 PolarHBondContact O-N 3.11Å; P17-A19 VanDerWaalsContact C-N 3.34Å; A19-E23 WeakPolarHBondContact CA-OE2 3.47Å; A19-E23 HydrophobicContact CB-CB 4.21Å; A19-L24 HydrophobicContact CB-CG 4.46Å
20T87.8Confident87.5Confident75 Ų7570.2 Ų70.246%0.4637%0.37SS..  trans-75.1158.7174.661.40000111N22 E23 L24T20-N22 PolarHBondContact O-N 3.18Å; T20-N22 VanDerWaalsContact O-N 3.13Å; T20-E23 PolarHBondContact N-OE2 2.84Å; T20-E23 WeakPolarHBondContact O-CB 3.39Å; T20-E23 PolarHBondContact O-N 3.08Å; T20-E23 WeakPolarHBondContact OG1-CG 3.42Å; T20-E23 PolarHBondContact OG1-OE2 2.82Å; T20-L24 PolarHBondContact O-N 3.11Å
21E82.8Confident87.3Confident104 Ų10471.7 Ų71.749%0.48638%0.378SS..Hα-helixtrans-56.4-32.3178.1-163.1-169.3156.400112.6K25E21-K25 WeakPolarHBondContact O-CB 3.26Å; E21-K25 WeakPolarHBondContact O-CG 3.47Å; E21-K25 PolarHBondContact O-N 3.34Å; E21-K25 VanDerWaalsContact OE1-CE 3.24Å; E21-K25 WeakPolarHBondContact OE1-CE 3.33Å; E21-K25 IonicContact OE1-NZ 2.84Å; E21-K25 PolarHBondContact OE1-NZ 3.17Å
22N83.3Confident87.2Confident124 Ų12467.5 Ų67.566%0.66336%0.357SS*.Hα-helixtrans-69.2-36.5176.3-71.8-29.9000112.5T20 K26T20-N22 PolarHBondContact O-N 3.18Å; T20-N22 VanDerWaalsContact O-N 3.13Å; N22-K26 WeakPolarHBondContact O-CB 3.36Å; N22-K26 PolarHBondContact O-N 3.35Å
23E86.9Confident87Confident100 Ų10072.8 Ų72.847%0.46738%0.379SS..Hα-helixtrans-71-40.5175.8-71.4165.3150.500111.2A19 T20 K26 A27A19-E23 WeakPolarHBondContact CA-OE2 3.47Å; A19-E23 HydrophobicContact CB-CB 4.21Å; T20-E23 PolarHBondContact N-OE2 2.84Å; T20-E23 WeakPolarHBondContact O-CB 3.39Å; T20-E23 PolarHBondContact O-N 3.08Å; T20-E23 WeakPolarHBondContact OG1-CG 3.42Å; T20-E23 PolarHBondContact OG1-OE2 2.82Å; E23-K26 PolarHBondContact O-N 2.89Å; E23-A27 WeakPolarHBondContact O-CB 3.42Å; E23-A27 PolarHBondContact O-N 3.21Å
24L88.1Confident86.8Confident2 Ų277.1 Ų77.11%0.0140%0.399CS..Hα-helixtrans-58.9-48172.8-71.2169.7000111.7L13 V15 A19 T20 K26 A27 Y28 Y54 L57L13-L24 HydrophobicContact CD1-CD2 3.74Å; V15-L24 HydrophobicContact CG2-CD2 3.62Å; A19-L24 HydrophobicContact CB-CG 4.46Å; T20-L24 PolarHBondContact O-N 3.11Å; L24-K26 VanDerWaalsContact C-N 3.33Å; L24-K26 PolarHBondContact O-N 3.36Å; L24-A27 PolarHBondContact O-N 3.36Å; L24-Y28 WeakPolarHBondContact O-CB 3.31Å; L24-Y28 PolarHBondContact O-N 3.4Å; L24-Y54 HydrophobicContact CB-CE2 4.46Å; L24-L57 HydrophobicContact CD1-CB 4.08Å; L24-L57 WeakPolarHBondContact CD1-O 3.28Å; L24-L57 HydrophobicContact CD2-CB 4.05Å; L24-L57 HydrophobicContact CD2-CD1 4.02Å
25K87.3Confident86.6Confident63 Ų6376.6 Ų76.627%0.27438%0.376SS..Hα-helixtrans-59.6-41.5175.6-81170.1-173.6170.50112.5E21 R29 Y54E21-K25 WeakPolarHBondContact O-CB 3.26Å; E21-K25 WeakPolarHBondContact O-CG 3.47Å; E21-K25 PolarHBondContact O-N 3.34Å; E21-K25 VanDerWaalsContact OE1-CE 3.24Å; E21-K25 WeakPolarHBondContact OE1-CE 3.33Å; E21-K25 IonicContact OE1-NZ 2.84Å; E21-K25 PolarHBondContact OE1-NZ 3.17Å; K25-R29 WeakPolarHBondContact O-CB 3.47Å; K25-R29 VanDerWaalsContact O-CG 3.29Å; K25-R29 WeakPolarHBondContact O-CG 3.45Å; K25-R29 PolarHBondContact O-N 3.3Å; K25-R29 VanDerWaalsContact O-N 3.09Å; K25-Y54 HydrophobicContact CG-CE2 4Å; K25-Y54 WeakPolarHBondContact CG-OH 3.47Å
26K89.2Confident86.1Confident165 Ų16579.2 Ų79.272%0.71739%0.387SS*.Hα-helixtrans-69.1-42.9-179.5-170.2179.8-179.8-176.90111.5N22 E23 L24 K30N22-K26 WeakPolarHBondContact O-CB 3.36Å; N22-K26 PolarHBondContact O-N 3.35Å; E23-K26 PolarHBondContact O-N 2.89Å; L24-K26 VanDerWaalsContact C-N 3.33Å; L24-K26 PolarHBondContact O-N 3.36Å; K26-K30 PolarHBondContact O-N 3.16Å
27A89.8Confident85.4Confident16 Ų1679.1 Ų79.113%0.13239%0.385CS..Hα-helixtrans-63.6-48.1176.700000111.8L13 V15 E23 L24 R29 K30 L31L13-A27 WeakPolarHBondContact O-CB 3.36Å; V15-A27 HydrophobicContact CG1-CB 3.51Å; E23-A27 WeakPolarHBondContact O-CB 3.42Å; E23-A27 PolarHBondContact O-N 3.21Å; L24-A27 PolarHBondContact O-N 3.36Å; A27-R29 PolarHBondContact O-N 3Å; A27-K30 PolarHBondContact O-N 3.18Å; A27-L31 WeakPolarHBondContact O-CG 3.46Å; A27-L31 PolarHBondContact O-N 3.44Å
28Y89.6Confident84.9Confident50 Ų5084 Ų8420%0.19641%0.409CS..Hα-helixtrans-58.2-48176.4175-105.6000112.1L24 K30 L31 A32 I50 Y54L24-Y28 WeakPolarHBondContact O-CB 3.31Å; L24-Y28 PolarHBondContact O-N 3.4Å; Y28-K30 VanDerWaalsContact C-N 3.27Å; Y28-K30 PolarHBondContact O-N 2.88Å; Y28-L31 PolarHBondContact O-N 2.8Å; Y28-A32 HydrophobicContact CE1-CB 4.3Å; Y28-A32 HydrophobicContact CE2-CB 4.21Å; Y28-A32 WeakPolarHBondContact O-CB 3.29Å; Y28-A32 PolarHBondContact O-N 3.07Å; Y28-I50 HydrophobicContact CD2-CG2 3.75Å; Y28-I50 HydrophobicContact CE2-CG2 4.04Å; Y28-Y54 VanDerWaalsContact CB-CD2 3.44Å; Y28-Y54 AromaticContact CD1-CD1 3.98Å; Y28-Y54 HydrophobicContact CD1-CD1 3.98Å; Y28-Y54 HydrophobicContact CD1-CD2 4.35Å; Y28-Y54 HydrophobicContact CD1-CE1 4.09Å; Y28-Y54 HydrophobicContact CD1-CE2 4.44Å; Y28-Y54 HydrophobicContact CD1-CG 4.12Å; Y28-Y54 HydrophobicContact CD2-CD1 4.02Å; Y28-Y54 HydrophobicContact CD2-CD2 4.25Å; Y28-Y54 AromaticContact CD2-CG 3.66Å; Y28-Y54 HydrophobicContact CD2-CG 3.66Å; Y28-Y54 HydrophobicContact CE1-CD1 4.21Å; Y28-Y54 HydrophobicContact CE1-CE1 4.37Å; Y28-Y54 HydrophobicContact CE2-CD1 4.26Å; Y28-Y54 HydrophobicContact CE2-CG 4.29Å; Y28-Y54 AromaticContact CG-CD1 3.88Å; Y28-Y54 HydrophobicContact CG-CD1 3.88Å; Y28-Y54 AromaticContact CG-CD2 3.76Å; Y28-Y54 HydrophobicContact CG-CD2 3.76Å; Y28-Y54 HydrophobicContact CG-CE1 4.37Å; Y28-Y54 HydrophobicContact CG-CE2 4.25Å; Y28-Y54 AromaticContact CG-CG 3.56Å; Y28-Y54 HydrophobicContact CG-CG 3.56Å
29R87.6Confident84.4Confident185 Ų18586.3 Ų86.370%0.69841%0.407SS*.Hα-helixtrans-60.9-34.8179.1-75.3177.3-174.3-178.52.6113.2K25 A27 K33K25-R29 WeakPolarHBondContact O-CB 3.47Å; K25-R29 VanDerWaalsContact O-CG 3.29Å; K25-R29 WeakPolarHBondContact O-CG 3.45Å; K25-R29 PolarHBondContact O-N 3.3Å; K25-R29 VanDerWaalsContact O-N 3.09Å; A27-R29 PolarHBondContact O-N 3Å; R29-K33 WeakPolarHBondContact O-CB 3.38Å; R29-K33 PolarHBondContact O-N 3.07Å
30K89.4Confident83.7Confident150 Ų15089.5 Ų89.565%0.65242%0.424SS*.Hα-helixtrans-67.5-52.2177-174.8-175173.7-168.10110.3K26 A27 Y28 K33 E34K26-K30 PolarHBondContact O-N 3.16Å; A27-K30 PolarHBondContact O-N 3.18Å; Y28-K30 VanDerWaalsContact C-N 3.27Å; Y28-K30 PolarHBondContact O-N 2.88Å; K30-K33 PolarHBondContact O-N 2.95Å; K30-E34 PolarHBondContact O-N 2.93Å
31L87.4Confident82.8Confident31 Ų3190.9 Ų90.916%0.16243%0.434CS..Hα-helixtrans-69.1-38.8-177.4-68170.9000112.6L13 A27 Y28 K33 E34 Y35 I50L13-L31 HydrophobicContact CD2-CD1 4.32Å; A27-L31 WeakPolarHBondContact O-CG 3.46Å; A27-L31 PolarHBondContact O-N 3.44Å; Y28-L31 PolarHBondContact O-N 2.8Å; L31-K33 VanDerWaalsContact C-N 3.27Å; L31-K33 PolarHBondContact O-N 2.82Å; L31-E34 PolarHBondContact O-N 2.83Å; L31-Y35 HydrophobicContact CD2-CD2 4.38Å; L31-Y35 HydrophobicContact CD2-CE2 4.04Å; L31-Y35 WeakPolarHBondContact O-CD2 3.37Å; L31-Y35 PolarHBondContact O-N 3.46Å; L31-I50 HydrophobicContact CB-CD1 3.83Å; L31-I50 HydrophobicContact CB-CG1 4.29Å; L31-I50 HydrophobicContact CB-CG2 3.88Å; L31-I50 HydrophobicContact CD1-CG1 4.36Å; L31-I50 HydrophobicContact CD1-CG2 4.44Å
32A84.3Confident82.3Confident14 Ų1493.9 Ų93.912%0.11645%0.453CS..Hα-helixtrans-65.2-29.6176.700000112.7Y28 H36 F47Y28-A32 HydrophobicContact CE1-CB 4.3Å; Y28-A32 HydrophobicContact CE2-CB 4.21Å; Y28-A32 WeakPolarHBondContact O-CB 3.29Å; Y28-A32 PolarHBondContact O-N 3.07Å; A32-H36 WeakPolarHBondContact O-CB 3.29Å; A32-H36 PolarHBondContact O-N 2.85Å; A32-F47 HydrophobicContact CB-CE2 3.97Å
33K84.7Confident81.6Confident153 Ų15388.6 Ų88.667%0.66543%0.427SS*.Hα-helixtrans-76.1-32.6174.6-174.4178.6178.5-177.30112.3R29 K30 L31R29-K33 WeakPolarHBondContact O-CB 3.38Å; R29-K33 PolarHBondContact O-N 3.07Å; K30-K33 PolarHBondContact O-N 2.95Å; L31-K33 VanDerWaalsContact C-N 3.27Å; L31-K33 PolarHBondContact O-N 2.82Å
34E82.4Confident80.8Confident96 Ų9685 Ų8545%0.44942%0.416SS..Hα-helixtrans-79.3-40.3-178-172.6171.8172.400112.3K30 L31 N40K30-E34 PolarHBondContact O-N 2.93Å; L31-E34 PolarHBondContact O-N 2.83Å; E34-N40 PolarHBondContact O-ND2 2.98Å
35Y83.1Confident80.1Confident57 Ų5790 Ų9022%0.22444%0.443CS..SBendtrans-103.818.7-178.1-63.6-68.6000113.6L31 A43 K46 F47 I50L31-Y35 HydrophobicContact CD2-CD2 4.38Å; L31-Y35 HydrophobicContact CD2-CE2 4.04Å; L31-Y35 WeakPolarHBondContact O-CD2 3.37Å; L31-Y35 PolarHBondContact O-N 3.46Å; Y35-A43 HydrophobicContact CD1-CB 3.77Å; Y35-K46 HydrophobicContact CD1-CB 4.36Å; Y35-K46 HydrophobicContact CD1-CD 4.35Å; Y35-K46 HydrophobicContact CE1-CD 3.96Å; Y35-K46 HydrophobicContact CG-CB 4.48Å; Y35-F47 WeakPolarHBondContact O-CB 3.23Å; Y35-F47 WeakPolarHBondContact O-CD2 3.48Å; Y35-I50 HydrophobicContact CD2-CD1 3.49Å; Y35-I50 VanDerWaalsContact CD2-CD1 3.49Å; Y35-I50 HydrophobicContact CE2-CD1 4.2Å; Y35-I50 HydrophobicContact CG-CD1 4.11Å
36H81.3Confident79.7Confident80 Ų8092.6 Ų92.637%0.3745%0.454SS..  trans-61.3131.6178.2-163.4-91000110.6A32 D38 K39 N40A32-H36 WeakPolarHBondContact O-CB 3.29Å; A32-H36 PolarHBondContact O-N 2.85Å; H36-D38 WeakPolarHBondContact ND1-CB 3.33Å; H36-D38 PolarHBondContact ND1-N 2.7Å; H36-D38 PolarHBondContact O-N 2.78Å; H36-D38 VanDerWaalsContact O-N 3.11Å; H36-K39 PolarHBondContact O-N 2.82Å; H36-N40 PolarHBondContact O-N 2.92Å
37P74.5Confident79.3Confident62 Ų6285.8 Ų85.840%0.40342%0.424SS..THydrogen-bonded Turntrans-60.8-26.7-175.219.7-31000113.8K39 N40P37-K39 VanDerWaalsContact C-N 3.31Å; P37-K39 PolarHBondContact O-N 3.43Å; P37-N40 CarbonylContact O-C 3.45Å
38D75.1Confident78.8Confident139 Ų13988.5 Ų88.574%0.74343%0.433SS*.THydrogen-bonded Turntrans-67.3-27.8174.1-16443.4000113.5H36H36-D38 WeakPolarHBondContact ND1-CB 3.33Å; H36-D38 PolarHBondContact ND1-N 2.7Å; H36-D38 PolarHBondContact O-N 2.78Å; H36-D38 VanDerWaalsContact O-N 3.11Å
39K73.2Confident78.5Confident139 Ų13990.7 Ų90.760%0.60445%0.445SS*.THydrogen-bonded Turntrans-103.6-24.1-179.7-66.7-172178.2-172.10113.3H36 P37H36-K39 PolarHBondContact O-N 2.82Å; P37-K39 VanDerWaalsContact C-N 3.31Å; P37-K39 PolarHBondContact O-N 3.43Å
40N71Confident78.5Confident75 Ų7582.2 Ų82.240%0.40141%0.414SS..  trans-138.786.5178-97.1-45.7000110E34 H36 P37 N42 A43E34-N40 PolarHBondContact O-ND2 2.98Å; H36-N40 PolarHBondContact O-N 2.92Å; P37-N40 CarbonylContact O-C 3.45Å; N40-N42 PolarHBondContact O-N 3.49Å; N40-N42 VanDerWaalsContact O-N 3.13Å; N40-A43 HydrophobicContact CB-CB 3.81Å; N40-A43 PolarHBondContact O-N 3.26Å; N40-A43 VanDerWaalsContact O-N 3.1Å
41P68.4Low78.3Confident104 Ų10475.9 Ų75.968%0.67539%0.389SS*.G310 helixtrans-59.4-26.2-178-23.432.8000113.8
42N70.9Confident78.2Confident167 Ų16778.4 Ų78.489%0.89340%0.398SS*.G310 helixtrans-92.22.3-178.2-63.7-15.2000113.8N40N40-N42 PolarHBondContact O-N 3.49Å; N40-N42 VanDerWaalsContact O-N 3.13Å
43A69.3Low78.3Confident13 Ų1377.8 Ų77.811%0.10739%0.393CS..G310 helixtrans-10717.2-17800000113.9Y35 N40 D45 K46 F47Y35-A43 HydrophobicContact CD1-CB 3.77Å; N40-A43 HydrophobicContact CB-CB 3.81Å; N40-A43 PolarHBondContact O-N 3.26Å; N40-A43 VanDerWaalsContact O-N 3.1Å; A43-D45 VanDerWaalsContact C-N 3.26Å; A43-D45 PolarHBondContact O-N 2.94Å; A43-K46 PolarHBondContact O-N 3.46Å; A43-F47 PolarHBondContact O-N 2.88Å; A43-F47 VanDerWaalsContact O-N 3.14Å
44G70.9Confident78.4Confident23 Ų2372.8 Ų72.824%0.23737%0.37CS..Hα-helixtrans-54.8-38.9-177.200000113.5F47 K48G44-F47 PolarHBondContact O-N 3.01Å; G44-K48 VanDerWaalsContact O-CG 3.26Å; G44-K48 WeakPolarHBondContact O-CG 3.43Å; G44-K48 PolarHBondContact O-N 2.72Å; G44-K48 VanDerWaalsContact O-N 3.08Å
45D73.1Confident78.7Confident108 Ų10870.4 Ų70.458%0.57836%0.361SS*.Hα-helixtrans-70.6-37-178.1-61.9-31.9000112.9A43 F47 K48 E49A43-D45 VanDerWaalsContact C-N 3.26Å; A43-D45 PolarHBondContact O-N 2.94Å; D45-F47 PolarHBondContact O-N 2.9Å; D45-K48 WeakPolarHBondContact O-CB 3.42Å; D45-K48 PolarHBondContact O-N 3.15Å; D45-K48 IonicContact OD1-NZ 3.98Å; D45-K48 PolarHBondContact OD1-NZ 2.85Å; D45-E49 WeakPolarHBondContact O-CG 3.44Å; D45-E49 PolarHBondContact O-N 3.3Å; D45-E49 VanDerWaalsContact O-N 3.1Å
46K77.6Confident78.8Confident117 Ų11767.7 Ų67.751%0.50935%0.35SS..Hα-helixtrans-65.8-39.6173.2-68-173.1176.7-1770111.8Y35 A43 K48 E49 I50Y35-K46 HydrophobicContact CD1-CB 4.36Å; Y35-K46 HydrophobicContact CD1-CD 4.35Å; Y35-K46 HydrophobicContact CE1-CD 3.96Å; Y35-K46 HydrophobicContact CG-CB 4.48Å; A43-K46 PolarHBondContact O-N 3.46Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 3.25Å; K46-E49 PolarHBondContact O-N 3.45Å; K46-I50 WeakPolarHBondContact O-CB 3.47Å; K46-I50 VanDerWaalsContact O-CD1 3.29Å; K46-I50 WeakPolarHBondContact O-CD1 3.44Å; K46-I50 VanDerWaalsContact O-CG1 3.22Å; K46-I50 WeakPolarHBondContact O-CG1 3.48Å; K46-I50 PolarHBondContact O-N 3.44Å
47F81.8Confident79.1Confident22 Ų2264.1 Ų64.110%0.09633%0.334CS..Hα-helixtrans-63.3-36.8176.9-173.8-96.9000112.5A32 Y35 A43 G44 D45 S51 F92A32-F47 HydrophobicContact CB-CE2 3.97Å; Y35-F47 WeakPolarHBondContact O-CB 3.23Å; Y35-F47 WeakPolarHBondContact O-CD2 3.48Å; A43-F47 PolarHBondContact O-N 2.88Å; A43-F47 VanDerWaalsContact O-N 3.14Å; G44-F47 PolarHBondContact O-N 3.01Å; D45-F47 PolarHBondContact O-N 2.9Å; F47-S51 WeakPolarHBondContact O-CB 3.24Å; F47-S51 PolarHBondContact O-N 3.17Å; F47-S51 PolarHBondContact O-OG 3.15Å; F47-F92 HydrophobicContact CE1-CE1 4.38Å; F47-F92 HydrophobicContact CE1-CZ 4.4Å
48K80.3Confident79.7Confident73 Ų7363 Ų6332%0.31733%0.326SS..Hα-helixtrans-63.5-47.6174.3-69169.2-167164.70111.2G44 D45 K46 S51 F52 F88G44-K48 VanDerWaalsContact O-CG 3.26Å; G44-K48 WeakPolarHBondContact O-CG 3.43Å; G44-K48 PolarHBondContact O-N 2.72Å; G44-K48 VanDerWaalsContact O-N 3.08Å; D45-K48 WeakPolarHBondContact O-CB 3.42Å; D45-K48 PolarHBondContact O-N 3.15Å; D45-K48 IonicContact OD1-NZ 3.98Å; D45-K48 PolarHBondContact OD1-NZ 2.85Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 3.25Å; K48-S51 PolarHBondContact O-N 3.39Å; K48-F52 WeakPolarHBondContact O-CB 2.86Å; K48-F52 PolarHBondContact O-N 3.07Å; K48-F88 HydrophobicContact CB-CE1 3.88Å; K48-F88 HydrophobicContact CB-CZ 3.83Å; K48-F88 HydrophobicContact CD-CD1 4.37Å; K48-F88 HydrophobicContact CD-CE1 3.64Å; K48-F88 HydrophobicContact CD-CZ 4.41Å; K48-F88 HydrophobicContact CG-CE1 3.69Å; K48-F88 HydrophobicContact CG-CZ 4.16Å
49E83.2Confident80.1Confident96 Ų9658.6 Ų58.645%0.44930%0.302SS..Hα-helixtrans-61.4-44.2177.8-71.2178.4-177.400112.2I12 D45 K46 S51 F52 A53I12-E49 HydrophobicContact CG2-CB 4.36Å; D45-E49 WeakPolarHBondContact O-CG 3.44Å; D45-E49 PolarHBondContact O-N 3.3Å; D45-E49 VanDerWaalsContact O-N 3.1Å; K46-E49 PolarHBondContact O-N 3.45Å; E49-S51 VanDerWaalsContact C-N 3.33Å; E49-S51 PolarHBondContact O-N 3.23Å; E49-F52 PolarHBondContact O-N 3.35Å; E49-A53 WeakPolarHBondContact O-CB 3.46Å; E49-A53 PolarHBondContact O-N 3.19Å
50I85.9Confident80.6Confident7 Ų756.8 Ų56.84%0.03630%0.304CS..Hα-helixtrans-61.3-41.7176.8-69.8158.1000111.3I12 L13 Y28 L31 Y35 K46 Y54I12-I50 HydrophobicContact CG2-CG1 4.14Å; L13-I50 HydrophobicContact CD2-CG2 4.01Å; Y28-I50 HydrophobicContact CD2-CG2 3.75Å; Y28-I50 HydrophobicContact CE2-CG2 4.04Å; L31-I50 HydrophobicContact CB-CD1 3.83Å; L31-I50 HydrophobicContact CB-CG1 4.29Å; L31-I50 HydrophobicContact CB-CG2 3.88Å; L31-I50 HydrophobicContact CD1-CG1 4.36Å; L31-I50 HydrophobicContact CD1-CG2 4.44Å; Y35-I50 HydrophobicContact CD2-CD1 3.49Å; Y35-I50 VanDerWaalsContact CD2-CD1 3.49Å; Y35-I50 HydrophobicContact CE2-CD1 4.2Å; Y35-I50 HydrophobicContact CG-CD1 4.11Å; K46-I50 WeakPolarHBondContact O-CB 3.47Å; K46-I50 VanDerWaalsContact O-CD1 3.29Å; K46-I50 WeakPolarHBondContact O-CD1 3.44Å; K46-I50 VanDerWaalsContact O-CG1 3.22Å; K46-I50 WeakPolarHBondContact O-CG1 3.48Å; K46-I50 PolarHBondContact O-N 3.44Å; I50-Y54 WeakPolarHBondContact O-CB 3.45Å; I50-Y54 PolarHBondContact O-N 3.42Å; I50-Y54 VanDerWaalsContact O-N 3.11Å
51S85.5Confident80.9Confident18 Ų1860.7 Ų60.713%0.12632%0.32CS..Hα-helixtrans-69.4-39.4179.4-59.80000112F47 K48 E49 Y54 D55F47-S51 WeakPolarHBondContact O-CB 3.24Å; F47-S51 PolarHBondContact O-N 3.17Å; F47-S51 PolarHBondContact O-OG 3.15Å; K48-S51 PolarHBondContact O-N 3.39Å; E49-S51 VanDerWaalsContact C-N 3.33Å; E49-S51 PolarHBondContact O-N 3.23Å; S51-Y54 PolarHBondContact O-N 2.92Å; S51-D55 PolarHBondContact O-N 3.07Å
52F85.6Confident81.6Confident84 Ų8459 Ų5937%0.36830%0.302SS..Hα-helixtrans-64.2-48.1175.3178-106.2000111.9L9 K48 E49 Y54 D55 V56L9-F52 HydrophobicContact CD1-CE1 4.39Å; L9-F52 HydrophobicContact CD2-CD1 3.84Å; L9-F52 HydrophobicContact CD2-CE1 3.86Å; K48-F52 WeakPolarHBondContact O-CB 2.86Å; K48-F52 PolarHBondContact O-N 3.07Å; E49-F52 PolarHBondContact O-N 3.35Å; F52-Y54 VanDerWaalsContact C-N 3.29Å; F52-Y54 PolarHBondContact O-N 2.75Å; F52-D55 PolarHBondContact O-N 2.88Å; F52-V56 HydrophobicContact CD2-CG2 4.36Å; F52-V56 HydrophobicContact CE1-CG2 4.25Å; F52-V56 HydrophobicContact CE2-CG2 3.94Å; F52-V56 HydrophobicContact CZ-CG2 3.88Å; F52-V56 WeakPolarHBondContact O-CG2 3.42Å; F52-V56 PolarHBondContact O-N 3.08Å; F52-V56 VanDerWaalsContact O-N 3.11Å
53A87.1Confident82.3Confident0 Ų053.3 Ų53.30%027%0.27CS..Hα-helixtrans-58.7-41.2177.500000112L9 I12 L13 E49 L57L9-A53 HydrophobicContact CB-CB 4.08Å; L9-A53 HydrophobicContact CD2-CB 3.98Å; I12-A53 HydrophobicContact CB-CB 4.15Å; I12-A53 HydrophobicContact CG2-CB 3.85Å; L13-A53 HydrophobicContact CD1-CB 4.26Å; L13-A53 HydrophobicContact CD2-CB 4.2Å; L13-A53 HydrophobicContact CG-CB 3.85Å; E49-A53 WeakPolarHBondContact O-CB 3.46Å; E49-A53 PolarHBondContact O-N 3.19Å; A53-L57 VanDerWaalsContact O-CB 3.3Å; A53-L57 WeakPolarHBondContact O-CB 3.46Å; A53-L57 VanDerWaalsContact O-CG 3.22Å; A53-L57 WeakPolarHBondContact O-CG 3.44Å; A53-L57 PolarHBondContact O-N 2.94Å
54Y86.8Confident82.9Confident48 Ų4857.6 Ų57.619%0.18829%0.288CS..Hα-helixtrans-68.2-39.9177.6180-103.9000113.3L24 K25 Y28 I50 S51 F52 T58L24-Y54 HydrophobicContact CB-CE2 4.46Å; K25-Y54 HydrophobicContact CG-CE2 4Å; K25-Y54 WeakPolarHBondContact CG-OH 3.47Å; Y28-Y54 VanDerWaalsContact CB-CD2 3.44Å; Y28-Y54 AromaticContact CD1-CD1 3.98Å; Y28-Y54 HydrophobicContact CD1-CD1 3.98Å; Y28-Y54 HydrophobicContact CD1-CD2 4.35Å; Y28-Y54 HydrophobicContact CD1-CE1 4.09Å; Y28-Y54 HydrophobicContact CD1-CE2 4.44Å; Y28-Y54 HydrophobicContact CD1-CG 4.12Å; Y28-Y54 HydrophobicContact CD2-CD1 4.02Å; Y28-Y54 HydrophobicContact CD2-CD2 4.25Å; Y28-Y54 AromaticContact CD2-CG 3.66Å; Y28-Y54 HydrophobicContact CD2-CG 3.66Å; Y28-Y54 HydrophobicContact CE1-CD1 4.21Å; Y28-Y54 HydrophobicContact CE1-CE1 4.37Å; Y28-Y54 HydrophobicContact CE2-CD1 4.26Å; Y28-Y54 HydrophobicContact CE2-CG 4.29Å; Y28-Y54 AromaticContact CG-CD1 3.88Å; Y28-Y54 HydrophobicContact CG-CD1 3.88Å; Y28-Y54 AromaticContact CG-CD2 3.76Å; Y28-Y54 HydrophobicContact CG-CD2 3.76Å; Y28-Y54 HydrophobicContact CG-CE1 4.37Å; Y28-Y54 HydrophobicContact CG-CE2 4.25Å; Y28-Y54 AromaticContact CG-CG 3.56Å; Y28-Y54 HydrophobicContact CG-CG 3.56Å; I50-Y54 WeakPolarHBondContact O-CB 3.45Å; I50-Y54 PolarHBondContact O-N 3.42Å; I50-Y54 VanDerWaalsContact O-N 3.11Å; S51-Y54 PolarHBondContact O-N 2.92Å; F52-Y54 VanDerWaalsContact C-N 3.29Å; F52-Y54 PolarHBondContact O-N 2.75Å; Y54-T58 WeakPolarHBondContact CD2-OG1 3.5Å; Y54-T58 WeakPolarHBondContact CE2-OG1 3.48Å; Y54-T58 WeakPolarHBondContact O-CB 3.36Å; Y54-T58 PolarHBondContact O-N 3.4Å; Y54-T58 PolarHBondContact O-OG1 2.85Å
55D87.7Confident83.5Confident46 Ų4659.3 Ų59.325%0.24629%0.291CS..Hα-helixtrans-62.7-46.2177.6-178.758.5000112.1S51 F52 N59 K62 M100S51-D55 PolarHBondContact O-N 3.07Å; F52-D55 PolarHBondContact O-N 2.88Å; D55-N59 PolarHBondContact O-N 2.77Å; D55-K62 IonicContact OD2-NZ 2.74Å; D55-K62 PolarHBondContact OD2-NZ 3.03Å; D55-M100 WeakPolarHBondContact OD1-CE 3.15Å
56V86.4Confident84Confident1 Ų154.2 Ų54.21%0.00626%0.264CS..Hα-helixtrans-65.6-45.9179.7174.40000111.1L9 F52 K62 K63 Y66 L74L9-V56 HydrophobicContact CD1-CB 3.74Å; L9-V56 HydrophobicContact CD1-CG1 3.51Å; L9-V56 HydrophobicContact CD1-CG2 4.15Å; F52-V56 HydrophobicContact CD2-CG2 4.36Å; F52-V56 HydrophobicContact CE1-CG2 4.25Å; F52-V56 HydrophobicContact CE2-CG2 3.94Å; F52-V56 HydrophobicContact CZ-CG2 3.88Å; F52-V56 WeakPolarHBondContact O-CG2 3.42Å; F52-V56 PolarHBondContact O-N 3.08Å; F52-V56 VanDerWaalsContact O-N 3.11Å; V56-K62 HydrophobicContact CG1-CB 4.29Å; V56-K63 PolarHBondContact O-N 3.35Å; V56-Y66 HydrophobicContact CG1-CG 4.15Å; V56-L74 HydrophobicContact CG1-CD1 4.03Å; V56-L74 HydrophobicContact CG1-CD2 3.98Å; V56-L74 HydrophobicContact CG2-CD2 3.84Å
57L86.7Confident84.4Confident4 Ų450.4 Ų50.42%0.02125%0.249CC..Hα-helixtrans-79.3-16.9-175.1-64.4179.8000114.1L9 Y10 L13 L24 A53 K63 Y66L9-L57 HydrophobicContact CB-CD1 3.93Å; L9-L57 HydrophobicContact CB-CD2 4.39Å; L9-L57 HydrophobicContact CB-CG 4.14Å; Y10-L57 HydrophobicContact CD1-CD1 3.67Å; Y10-L57 HydrophobicContact CD1-CD2 4.24Å; Y10-L57 HydrophobicContact CD2-CD1 4.5Å; Y10-L57 HydrophobicContact CD2-CD2 4.31Å; Y10-L57 HydrophobicContact CE1-CD1 3.84Å; Y10-L57 HydrophobicContact CE1-CD2 3.65Å; Y10-L57 HydrophobicContact CE1-CG 4.31Å; Y10-L57 HydrophobicContact CE2-CD2 3.72Å; Y10-L57 HydrophobicContact CG-CD1 4.04Å; L13-L57 HydrophobicContact CD1-CD1 3.92Å; L24-L57 HydrophobicContact CD1-CB 4.08Å; L24-L57 WeakPolarHBondContact CD1-O 3.28Å; L24-L57 HydrophobicContact CD2-CB 4.05Å; L24-L57 HydrophobicContact CD2-CD1 4.02Å; A53-L57 VanDerWaalsContact O-CB 3.3Å; A53-L57 WeakPolarHBondContact O-CB 3.46Å; A53-L57 VanDerWaalsContact O-CG 3.22Å; A53-L57 WeakPolarHBondContact O-CG 3.44Å; A53-L57 PolarHBondContact O-N 2.94Å; L57-K63 HydrophobicContact CD2-CG 4.33Å; L57-Y66 HydrophobicContact CD2-CD1 3.94Å; L57-Y66 HydrophobicContact CD2-CE1 4.29Å
58T86.5Confident84.3Confident39 Ų3956 Ų5624%0.23927%0.269CS..Hα-helixtrans-87.6-28.4177.1-57.50000112.4Y54 P60Y54-T58 WeakPolarHBondContact CD2-OG1 3.5Å; Y54-T58 WeakPolarHBondContact CE2-OG1 3.48Å; Y54-T58 WeakPolarHBondContact O-CB 3.36Å; Y54-T58 PolarHBondContact O-N 3.4Å; Y54-T58 PolarHBondContact O-OG1 2.85Å; T58-P60 WeakPolarHBondContact O-CD 3.43Å
59N84.4Confident84.2Confident47 Ų4758.9 Ų58.925%0.25128%0.279SS..SBendtrans-83120.4177.1-177.1-46.5000110.3D55 E61 K62 K63D55-N59 PolarHBondContact O-N 2.77Å; N59-E61 VanDerWaalsContact C-N 3.3Å; N59-E61 PolarHBondContact O-N 2.84Å; N59-E61 WeakPolarHBondContact OD1-CB 3.02Å; N59-E61 PolarHBondContact OD1-N 2.89Å; N59-K62 HydrophobicContact CB-CB 4.04Å; N59-K62 HydrophobicContact CB-CD 4.12Å; N59-K62 HydrophobicContact CB-CG 4.03Å; N59-K62 PolarHBondContact O-N 2.84Å; N59-K62 PolarHBondContact OD1-N 2.8Å; N59-K63 WeakPolarHBondContact O-CB 3.41Å; N59-K63 PolarHBondContact O-N 2.74Å
60P83.2Confident84.1Confident100 Ų10054.6 Ų54.665%0.64926%0.261SS*.Hα-helixtrans-56.5-39.3-177.2-25.534.2000114.3T58 E64T58-P60 WeakPolarHBondContact O-CD 3.43Å; P60-E64 WeakPolarHBondContact O-CB 3.3Å; P60-E64 PolarHBondContact O-N 2.94Å
61E78.1Confident83.5Confident157 Ų15757.3 Ų57.373%0.73427%0.273SS*.Hα-helixtrans-72.8-43.2-178.4-62.4178.1176.800111.4N59 L65N59-E61 VanDerWaalsContact C-N 3.3Å; N59-E61 PolarHBondContact O-N 2.84Å; N59-E61 WeakPolarHBondContact OD1-CB 3.02Å; N59-E61 PolarHBondContact OD1-N 2.89Å; E61-L65 WeakPolarHBondContact O-CB 3.37Å; E61-L65 PolarHBondContact O-N 2.89Å
62K83.6Confident82.6Confident68 Ų6863.6 Ų63.630%0.29630%0.301SS..Hα-helixtrans-69.2-38.3177-62.9-173.5-178-176.90111.7D55 V56 N59 L65 Y66D55-K62 IonicContact OD2-NZ 2.74Å; D55-K62 PolarHBondContact OD2-NZ 3.03Å; V56-K62 HydrophobicContact CG1-CB 4.29Å; N59-K62 HydrophobicContact CB-CB 4.04Å; N59-K62 HydrophobicContact CB-CD 4.12Å; N59-K62 HydrophobicContact CB-CG 4.03Å; N59-K62 PolarHBondContact O-N 2.84Å; N59-K62 PolarHBondContact OD1-N 2.8Å; K62-L65 PolarHBondContact O-N 2.93Å; K62-Y66 VanDerWaalsContact O-CB 3.31Å; K62-Y66 WeakPolarHBondContact O-CB 3.48Å; K62-Y66 PolarHBondContact O-N 2.92Å
63K85.4Confident81.6Confident49 Ų4960 Ų6021%0.21329%0.287CS..Hα-helixtrans-62.6-47.5175.3-175.8-175.1-178.31770110.5Y10 V56 L57 N59 L65 Y66 D67Y10-K63 WeakPolarHBondContact OH-CE 3.44Å; V56-K63 PolarHBondContact O-N 3.35Å; L57-K63 HydrophobicContact CD2-CG 4.33Å; N59-K63 WeakPolarHBondContact O-CB 3.41Å; N59-K63 PolarHBondContact O-N 2.74Å; K63-L65 VanDerWaalsContact C-N 3.31Å; K63-L65 PolarHBondContact O-N 3.29Å; K63-Y66 PolarHBondContact O-N 3.49Å; K63-D67 VanDerWaalsContact O-CB 3.26Å; K63-D67 WeakPolarHBondContact O-CB 3.44Å; K63-D67 PolarHBondContact O-N 3.43Å
64E82.3Confident80.5Confident103 Ų10362.1 Ų62.148%0.48130%0.299SS..Hα-helixtrans-61.2-40.8177.5-173.4-178.1167.800111.9P60 R68P60-E64 WeakPolarHBondContact O-CB 3.3Å; P60-E64 PolarHBondContact O-N 2.94Å; E64-R68 VanDerWaalsContact O-CB 3.23Å; E64-R68 WeakPolarHBondContact O-CB 3.46Å; E64-R68 PolarHBondContact O-N 3.3Å; E64-R68 IonicContact OE1-CZ 3.42Å; E64-R68 IonicContact OE1-NH1 3.22Å; E64-R68 IonicContact OE1-NH2 2.72Å; E64-R68 PolarHBondContact OE1-NH2 3.31Å
65L82.4Confident79.1Confident59 Ų5967.8 Ų67.831%0.30932%0.32SS..Hα-helixtrans-66.3-43.8177.5-167.472000112E61 K62 K63 R68 Y69 G73E61-L65 WeakPolarHBondContact O-CB 3.37Å; E61-L65 PolarHBondContact O-N 2.89Å; K62-L65 PolarHBondContact O-N 2.93Å; K63-L65 VanDerWaalsContact C-N 3.31Å; K63-L65 PolarHBondContact O-N 3.29Å; L65-R68 PolarHBondContact O-N 3.44Å; L65-Y69 HydrophobicContact CD1-CD2 3.76Å; L65-Y69 HydrophobicContact CD1-CE2 4.07Å; L65-Y69 HydrophobicContact CG-CD2 4.46Å; L65-Y69 PolarHBondContact O-N 3.37Å; L65-G73 VanDerWaalsContact CD2-O 3.27Å; L65-G73 WeakPolarHBondContact CD2-O 3.32Å
66Y83.5Confident77.2Confident0 Ų073.8 Ų73.80%035%0.346CS..Hα-helixtrans-64.1-44.9174.9-178.5-111.8000111.7D6 R8 L9 Y10 V56 L57 K62 K63 R68 Y69 G70 E71 L74D6-Y66 HydrophobicContact CB-CE2 4.07Å; D6-Y66 VanDerWaalsContact CG-OH 3.23Å; D6-Y66 WeakPolarHBondContact O-CE1 3.24Å; D6-Y66 PolarHBondContact O-OH 3.21Å; D6-Y66 PolarHBondContact OD1-OH 2.96Å; D6-Y66 PolarHBondContact OD2-OH 2.81Å; R8-Y66 PolarHBondContact N-OH 3.47Å; L9-Y66 HydrophobicContact CB-CE1 3.73Å; L9-Y66 HydrophobicContact CD1-CD1 3.98Å; L9-Y66 HydrophobicContact CD1-CD2 3.8Å; L9-Y66 HydrophobicContact CD1-CE1 3.8Å; L9-Y66 HydrophobicContact CD1-CE2 3.61Å; L9-Y66 HydrophobicContact CD1-CG 3.97Å; L9-Y66 HydrophobicContact CG-CD2 4.46Å; L9-Y66 HydrophobicContact CG-CE1 3.84Å; L9-Y66 HydrophobicContact CG-CE2 3.78Å; L9-Y66 VanDerWaalsContact CG-CZ 3.43Å; L9-Y66 WeakPolarHBondContact CG-OH 3.2Å; L9-Y66 PolarHBondContact N-OH 3.37Å; Y10-Y66 HydrophobicContact CD2-CE1 4.12Å; Y10-Y66 HydrophobicContact CE2-CD1 4.17Å; Y10-Y66 AromaticContact CE2-CE1 3.9Å; Y10-Y66 HydrophobicContact CE2-CE1 3.9Å; V56-Y66 HydrophobicContact CG1-CG 4.15Å; L57-Y66 HydrophobicContact CD2-CD1 3.94Å; L57-Y66 HydrophobicContact CD2-CE1 4.29Å; K62-Y66 VanDerWaalsContact O-CB 3.31Å; K62-Y66 WeakPolarHBondContact O-CB 3.48Å; K62-Y66 PolarHBondContact O-N 2.92Å; K63-Y66 PolarHBondContact O-N 3.49Å; Y66-R68 PolarHBondContact O-N 3Å; Y66-Y69 PolarHBondContact O-N 2.97Å; Y66-G70 VanDerWaalsContact O-CA 3.26Å; Y66-G70 WeakPolarHBondContact O-CA 3.37Å; Y66-G70 PolarHBondContact O-N 2.91Å; Y66-E71 HydrophobicContact CE2-CG 3.95Å; Y66-L74 HydrophobicContact CD2-CD1 3.45Å; Y66-L74 VanDerWaalsContact CD2-CD1 3.45Å; Y66-L74 HydrophobicContact CE2-CD1 4.35Å; Y66-L74 HydrophobicContact CG-CD1 4.09Å
67D85.9Confident75.2Confident38 Ų3876.7 Ų76.720%0.20338%0.377CS..Hα-helixtrans-64.8-31.7-179.4-70.2-13.7000111.6V4 A5 Y10 K63V4-D67 HydrophobicContact CG1-CB 4.15Å; V4-D67 WeakPolarHBondContact CG1-OD1 3.44Å; A5-D67 PolarHBondContact N-O 2.8Å; Y10-D67 WeakPolarHBondContact CE2-OD1 3.5Å; Y10-D67 PolarHBondContact OH-OD1 3.19Å; Y10-D67 PolarHBondContact OH-OD2 3.22Å; K63-D67 VanDerWaalsContact O-CB 3.26Å; K63-D67 WeakPolarHBondContact O-CB 3.44Å; K63-D67 PolarHBondContact O-N 3.43Å
68R80.1Confident73.1Confident139 Ų13978.8 Ų78.853%0.52540%0.399SS..Hα-helixtrans-85.2-35.6-179.6-170.1179.3-68160.36.5114.1E64 L65 Y66E64-R68 VanDerWaalsContact O-CB 3.23Å; E64-R68 WeakPolarHBondContact O-CB 3.46Å; E64-R68 PolarHBondContact O-N 3.3Å; E64-R68 IonicContact OE1-CZ 3.42Å; E64-R68 IonicContact OE1-NH1 3.22Å; E64-R68 IonicContact OE1-NH2 2.72Å; E64-R68 PolarHBondContact OE1-NH2 3.31Å; L65-R68 PolarHBondContact O-N 3.44Å; Y66-R68 PolarHBondContact O-N 3Å
69Y78.9Confident70.6Confident134 Ų13481 Ų8153%0.52543%0.429SS..Hα-helixtrans-131.81.7-168.3-59-69.4000115L65 Y66L65-Y69 HydrophobicContact CD1-CD2 3.76Å; L65-Y69 HydrophobicContact CD1-CE2 4.07Å; L65-Y69 HydrophobicContact CG-CD2 4.46Å; L65-Y69 PolarHBondContact O-N 3.37Å; Y66-Y69 PolarHBondContact O-N 2.97Å
70G80.6Confident68.2Low6 Ų683 Ų836%0.06246%0.461CS..Hα-helixtrans65.6-164.4-178.100000113.7Y66 Q72 G73Y66-G70 VanDerWaalsContact O-CA 3.26Å; Y66-G70 WeakPolarHBondContact O-CA 3.37Å; Y66-G70 PolarHBondContact O-N 2.91Å; G70-Q72 PolarHBondContact O-N 3.31Å; G70-Q72 VanDerWaalsContact O-N 3.1Å; G70-G73 PolarHBondContact O-N 3.38Å; G70-G73 VanDerWaalsContact O-N 3.1Å
71E72.8Confident65.9Low64 Ų6481 Ų8130%0.29946%0.459SS..Hα-helixtrans-57.1-25.1179.4-77.4-172.8154.400113.7R8 Y66 L74R8-E71 WeakPolarHBondContact CD-OE1 3.09Å; R8-E71 IonicContact CZ-OE1 2.9Å; R8-E71 IonicContact CZ-OE2 3.15Å; R8-E71 IonicContact NE-OE1 3.72Å; R8-E71 IonicContact NH1-OE1 3.44Å; R8-E71 PolarHBondContact NH1-OE1 3.14Å; R8-E71 IonicContact NH1-OE2 2.71Å; R8-E71 PolarHBondContact NH1-OE2 3.29Å; Y66-E71 HydrophobicContact CE2-CG 3.95Å; E71-L74 PolarHBondContact O-N 2.84Å
72Q66.3Low64Low149 Ų14979 Ų7970%0.69646%0.46SS*.Hα-helixtrans-68.8-36177.6-73.1-177.2-6.800112.6G70 L74 R75 E76G70-Q72 PolarHBondContact O-N 3.31Å; G70-Q72 VanDerWaalsContact O-N 3.1Å; Q72-L74 VanDerWaalsContact C-N 3.29Å; Q72-L74 PolarHBondContact O-N 3.22Å; Q72-R75 WeakPolarHBondContact O-CB 3.46Å; Q72-R75 PolarHBondContact O-N 2.77Å; Q72-E76 PolarHBondContact O-N 3.4Å
73G64.2Low61.9Low9 Ų977.8 Ų77.89%0.09347%0.467CS..Hα-helixtrans-63.5-33.5177.300000113.4L65 G70 R75 G77L65-G73 VanDerWaalsContact CD2-O 3.27Å; L65-G73 WeakPolarHBondContact CD2-O 3.32Å; G70-G73 PolarHBondContact O-N 3.38Å; G70-G73 VanDerWaalsContact O-N 3.1Å; G73-R75 VanDerWaalsContact C-N 3.3Å; G73-R75 PolarHBondContact O-N 3.46Å; G73-G77 PolarHBondContact O-N 2.79Å
74L64.4Low60.1Low45 Ų4581 Ų8124%0.23648%0.484CS..Hα-helixtrans-69.6-26.4174.6-76.5136.3000113V56 Y66 E71 Q72V56-L74 HydrophobicContact CG1-CD1 4.03Å; V56-L74 HydrophobicContact CG1-CD2 3.98Å; V56-L74 HydrophobicContact CG2-CD2 3.84Å; Y66-L74 HydrophobicContact CD2-CD1 3.45Å; Y66-L74 VanDerWaalsContact CD2-CD1 3.45Å; Y66-L74 HydrophobicContact CE2-CD1 4.35Å; Y66-L74 HydrophobicContact CG-CD1 4.09Å; E71-L74 PolarHBondContact O-N 2.84Å; Q72-L74 VanDerWaalsContact C-N 3.29Å; Q72-L74 PolarHBondContact O-N 3.22Å
75R58.8Low58.3Low166 Ų16682.8 Ų82.863%0.62650%0.497SS*.Hα-helixtrans-80.2-35.7178.3-78.9178.8157.4-176.7-3.2112.7Q72 G73 M84Q72-R75 WeakPolarHBondContact O-CB 3.46Å; Q72-R75 PolarHBondContact O-N 2.77Å; G73-R75 VanDerWaalsContact C-N 3.3Å; G73-R75 PolarHBondContact O-N 3.46Å; R75-M84 HydrophobicContact CG-CE 4.32Å; R75-M84 PolarHBondContact NH2-SD 3.28Å
76E47.5Very low56.4Low172 Ų17285.1 Ų85.180%0.80451%0.51SS*.Hα-helixtrans-91.5-15.3-176.1-68.8-176.3161.100114Q72 G78Q72-E76 PolarHBondContact O-N 3.4Å; E76-G78 VanDerWaalsContact C-N 3.33Å; E76-G78 PolarHBondContact O-N 2.98Å
77G43.8Very low54.7Low63 Ų6389.9 Ų89.965%0.64953%0.534SS*.SBendtrans-79.8-4.7175.800000115.7G73G73-G77 PolarHBondContact O-N 2.79Å
78G42.6Very low52.7Low48 Ų4891.3 Ų91.350%0.49554%0.539SS..SBendtrans-108.1117.917700000111E76 G80E76-G78 VanDerWaalsContact C-N 3.33Å; E76-G78 PolarHBondContact O-N 2.98Å; G78-G80 PolarHBondContact O-N 2.88Å
79G34.6Very low51.2Low84 Ų8487.6 Ų87.687%0.86653%0.534SS*.  trans-48.3136.5176.800000112.8
80G33.8Very low49.5Very low89 Ų8987.9 Ų87.992%0.91854%0.54SS*.  trans-54.4142.1-165.200000117.3G78G78-G80 PolarHBondContact O-N 2.88Å
81G33.3Very low47.9Very low60 Ų6090.2 Ų90.262%0.61955%0.55SS*.  trans176.5148.6172.100000109.8
82P39.2Very low46.8Very low114 Ų11491 Ų9174%0.7455%0.552SS**SBendtrans-77.8151.2-154.132.3-35.3000114.3
83G38.5Very low45.6Very low43 Ų4387 Ų8744%0.44355%0.552SS.*  trans68.3106.6156.600000116.3D85 D86G83-D85 PolarHBondContact O-N 3.09Å; G83-D86 PolarHBondContact O-N 2.79Å; G83-D86 VanDerWaalsContact O-N 3.11Å
84M49Very low44.7Very low117 Ų11790.4 Ų90.458%0.57659%0.587SS**Hα-helixtrans-56.1-20174-172.8177.2-113.800113.5R75R75-M84 HydrophobicContact CG-CE 4.32Å; R75-M84 PolarHBondContact NH2-SD 3.28Å
85D43Very low43.7Very low139 Ų13990.6 Ų90.674%0.74360%0.599SS**Hα-helixtrans-78.8-27.3-178.6-47.8-39000112.6G83 S89G83-D85 PolarHBondContact O-N 3.09Å; D85-S89 PolarHBondContact O-N 3.19Å
86D42.7Very low42.6Very low109 Ų10986.3 Ų86.358%0.58359%0.588SS**Hα-helixtrans-89.3-21.2-176.4-107.6-11.6000113.6G83 S89 H90G83-D86 PolarHBondContact O-N 2.79Å; G83-D86 VanDerWaalsContact O-N 3.11Å; D86-S89 WeakPolarHBondContact CA-OG 3.31Å; D86-S89 PolarHBondContact O-OG 3.43Å; D86-H90 PolarHBondContact O-CD2 3.21Å
87I48.6Very low41.8Very low99 Ų9985.8 Ų85.851%0.50858%0.584SS.*Hα-helixtrans-75.8-34.4172.2-70.2166.1000109.9H90 I91I87-H90 PolarHBondContact O-N 3.22Å; I87-I91 HydrophobicContact CG2-CD1 3.7Å; I87-I91 HydrophobicContact CG2-CG1 4.42Å; I87-I91 WeakPolarHBondContact O-CG1 3.49Å; I87-I91 PolarHBondContact O-N 3.03Å; I87-I91 VanDerWaalsContact O-N 3.09Å
88F44.4Very low41.5Very low69 Ų6986.2 Ų86.230%0.30359%0.588SS.*Hα-helixtrans-76.5-33.9-177.4-140.6-85.5000112.9K48 H90 I91 F92K48-F88 HydrophobicContact CB-CE1 3.88Å; K48-F88 HydrophobicContact CB-CZ 3.83Å; K48-F88 HydrophobicContact CD-CD1 4.37Å; K48-F88 HydrophobicContact CD-CE1 3.64Å; K48-F88 HydrophobicContact CD-CZ 4.41Å; K48-F88 HydrophobicContact CG-CE1 3.69Å; K48-F88 HydrophobicContact CG-CZ 4.16Å; F88-H90 VanDerWaalsContact C-N 3.32Å; F88-I91 PolarHBondContact O-N 2.84Å; F88-F92 HydrophobicContact CD1-CD2 4.42Å; F88-F92 AromaticContact CE1-CD2 3.74Å; F88-F92 HydrophobicContact CE1-CD2 3.74Å; F88-F92 HydrophobicContact CE1-CE2 4.24Å; F88-F92 HydrophobicContact CE1-CG 4.49Å; F88-F92 HydrophobicContact CZ-CD2 4.23Å; F88-F92 HydrophobicContact CZ-CE2 4.36Å; F88-F92 PolarHBondContact O-N 3.36Å; F88-F92 VanDerWaalsContact O-N 3.08Å
89S47.5Very low41.2Very low60 Ų6092 Ų9242%0.4260%0.6SS.*Hα-helixtrans-64.8-34.9171.258.80000111.8D85 D86 G93D85-S89 PolarHBondContact O-N 3.19Å; D86-S89 WeakPolarHBondContact CA-OG 3.31Å; D86-S89 PolarHBondContact O-OG 3.43Å; S89-G93 WeakPolarHBondContact O-CA 3.28Å; S89-G93 PolarHBondContact O-N 3.35Å
90H44.8Very low41.1Very low141 Ų14194.1 Ų94.165%0.65359%0.589SS**Hα-helixtrans-76.5-23.8173.9-90.5-63.4000114.7D86 I87 F88 G95D86-H90 PolarHBondContact O-CD2 3.21Å; I87-H90 PolarHBondContact O-N 3.22Å; F88-H90 VanDerWaalsContact C-N 3.32Å; H90-G95 WeakPolarHBondContact O-CA 3.36Å
91I46.7Very low41.3Very low54 Ų5493.8 Ų93.828%0.27759%0.586SS.*Iπ-helixtrans-81.1-43.4178.2-71175.2000112I87 F88 L96I87-I91 HydrophobicContact CG2-CD1 3.7Å; I87-I91 HydrophobicContact CG2-CG1 4.42Å; I87-I91 WeakPolarHBondContact O-CG1 3.49Å; I87-I91 PolarHBondContact O-N 3.03Å; I87-I91 VanDerWaalsContact O-N 3.09Å; F88-I91 PolarHBondContact O-N 2.84Å; I91-L96 HydrophobicContact CB-CB 4.39Å; I91-L96 HydrophobicContact CB-CD2 4.34Å; I91-L96 HydrophobicContact CD1-CD2 4.03Å; I91-L96 HydrophobicContact CG1-CB 4.29Å; I91-L96 HydrophobicContact CG1-CD2 3.62Å; I91-L96 HydrophobicContact CG2-CB 4.3Å; I91-L96 HydrophobicContact CG2-CD2 4.07Å
92F48.6Very low41.6Very low80 Ų8093.9 Ų93.935%0.35159%0.587SS.*Iπ-helixtrans-102.2-14.9-177.2-98.2-90.8000114.7F47 F88 G94 F97F47-F92 HydrophobicContact CE1-CE1 4.38Å; F47-F92 HydrophobicContact CE1-CZ 4.4Å; F88-F92 HydrophobicContact CD1-CD2 4.42Å; F88-F92 AromaticContact CE1-CD2 3.74Å; F88-F92 HydrophobicContact CE1-CD2 3.74Å; F88-F92 HydrophobicContact CE1-CE2 4.24Å; F88-F92 HydrophobicContact CE1-CG 4.49Å; F88-F92 HydrophobicContact CZ-CD2 4.23Å; F88-F92 HydrophobicContact CZ-CE2 4.36Å; F88-F92 PolarHBondContact O-N 3.36Å; F88-F92 VanDerWaalsContact O-N 3.08Å; F92-G94 VanDerWaalsContact C-N 3.3Å; F92-G94 PolarHBondContact O-N 3.37Å; F92-F97 HydrophobicContact CE1-CE2 4.27Å; F92-F97 HydrophobicContact CZ-CE2 4.08Å
93G42.3Very low41.7Very low66 Ų6695.4 Ų95.468%0.6858%0.584SS**Iπ-helixtrans-89.134.6176.300000114.8S89S89-G93 WeakPolarHBondContact O-CA 3.28Å; S89-G93 PolarHBondContact O-N 3.35Å
94G43.7Very low41.9Very low81 Ų8199 Ų9984%0.83561%0.609SS**Iπ-helixtrans94.724.1169.600000117.1F92F92-G94 VanDerWaalsContact C-N 3.3Å; F92-G94 PolarHBondContact O-N 3.37Å
95G43.4Very low41.7Very low48 Ų4896.6 Ų96.650%0.49562%0.615SS.*Iπ-helixtrans-119.3-25.3-177.900000117.9H90H90-G95 WeakPolarHBondContact O-CA 3.36Å
96L36.3Very low41.5Very low76 Ų7699.7 Ų99.740%0.39862%0.616SS.*SBendtrans-122.2-10.9-168.3-158.468.7000116.7I91 G98 F99I91-L96 HydrophobicContact CB-CB 4.39Å; I91-L96 HydrophobicContact CB-CD2 4.34Å; I91-L96 HydrophobicContact CD1-CD2 4.03Å; I91-L96 HydrophobicContact CG1-CB 4.29Å; I91-L96 HydrophobicContact CG1-CD2 3.62Å; I91-L96 HydrophobicContact CG2-CB 4.3Å; I91-L96 HydrophobicContact CG2-CD2 4.07Å; L96-G98 PolarHBondContact O-N 3.1Å; L96-G98 VanDerWaalsContact O-N 3.13Å; L96-F99 HydrophobicContact CD1-CB 4.05Å; L96-F99 PolarHBondContact O-N 3.41Å; L96-F99 VanDerWaalsContact O-N 3.14Å
97F31.8Very low41.3Very low162 Ų16298.9 Ų98.971%0.71162%0.619SS**THydrogen-bonded Turntrans-72.7-2.2175.7-107-87.5000114.5F92F92-F97 HydrophobicContact CE1-CE2 4.27Å; F92-F97 HydrophobicContact CZ-CE2 4.08Å
98G37.4Very low40.9Very low72 Ų72106.7 Ų106.774%0.74264%0.642SS**THydrogen-bonded Turntrans-91.3-7.4169.400000114.9L96L96-G98 PolarHBondContact O-N 3.1Å; L96-G98 VanDerWaalsContact O-N 3.13Å
99F34.9Very low40.7Very low169 Ų169109.6 Ų109.674%0.74166%0.661SS**SBendtrans-115.4-3.7-164.8-101.2-81.5000116.7L96L96-F99 HydrophobicContact CD1-CB 4.05Å; L96-F99 PolarHBondContact O-N 3.41Å; L96-F99 VanDerWaalsContact O-N 3.14Å
100M33.5Very low40.6Very low129 Ų129110.6 Ų110.664%0.63568%0.68SS**SBendtrans-117.118.8179-105.7-164.1171.200114.9D55D55-M100 WeakPolarHBondContact OD1-CE 3.15Å
101G36.8Very low40.8Very low82 Ų82106.4 Ų106.485%0.84568%0.675SS**SBendtrans-108.42.3179.400000116.2
102G41Very low41.4Very low62 Ų62112.6 Ų112.664%0.63970%0.695SS**SBendtrans160.996.3172.200000115.3
103Q41.3Very low42.8Very low145 Ų145118.5 Ų118.568%0.67872%0.715SS**  trans-158.144.6152.1-153.1130.5-17.600113.5G105 R106Q103-G105 VanDerWaalsContact C-N 3.32Å; Q103-G105 PolarHBondContact O-N 2.78Å; Q103-R106 HydrophobicContact CG-CB 4.24Å
104A42.5Very low44.9Very low118 Ų118122 Ų12298%0.97571%0.708SS**SBendtrans-8782.5152.200000107.3
105G44.9Very low46.9Very low68 Ų68119 Ų11970%0.70168%0.676SS**  trans123.176177.500000114Q103Q103-G105 VanDerWaalsContact C-N 3.32Å; Q103-G105 PolarHBondContact O-N 2.78Å
106R39.2Very low49.1Very low204 Ų204125.1 Ų125.177%0.7769%0.692SS**  trans-150.791.8153.3-110.4169.8-172.9176.81.2109.9Q103Q103-R106 HydrophobicContact CG-CB 4.24Å
107S36.7Very low51.8Low91 Ų91125.2 Ų125.264%0.63669%0.693SS**  trans40.9117.8134.7-152.30000117.7N109S107-N109 PolarHBondContact O-N 2.85Å; S107-N109 WeakPolarHBondContact OG-CB 3.18Å; S107-N109 PolarHBondContact OG-N 3.45Å
108R42Very low54.6Low263 Ų263119.3 Ų119.399%0.99267%0.668SS**  trans-62.755.5148.5-70.2177.4171.8167.2-2.1110.4
109N38.6Very low57.3Low131 Ų131120.5 Ų120.570%0.70166%0.661SS**  trans-92.6127.3171-14432.7000107.6S107 G111S107-N109 PolarHBondContact O-N 2.85Å; S107-N109 WeakPolarHBondContact OG-CB 3.18Å; S107-N109 PolarHBondContact OG-N 3.45Å; N109-G111 PolarHBondContact O-N 2.86Å
110G45.5Very low60.1Low80 Ų80115.1 Ų115.183%0.82564%0.638SS**  trans-65.162.3164.300000111.5R112G110-R112 PolarHBondContact O-N 3.43Å
111G49.8Very low63Low53 Ų53112.4 Ų112.455%0.54663%0.63SS.*PPolyproline II helixtrans-60.8127.2163.600000107.5N109 R113N109-G111 PolarHBondContact O-N 2.86Å; G111-R113 PolarHBondContact O-N 2.88Å
112R58.3Low65.8Low184 Ų184109.4 Ų109.469%0.69459%0.594SS**PPolyproline II helixtrans-52.1130.2176.2-66.6164.1174.9177.5-1.8107.8G110 R114 E246G110-R112 PolarHBondContact O-N 3.43Å; R112-R114 PolarHBondContact O-N 3.42Å; R112-E246 HydrophobicContact CB-CG 3.77Å; R112-E246 VanDerWaalsContact CD-CD 3.42Å; R112-E246 WeakPolarHBondContact CD-OE1 3.47Å; R112-E246 HydrophobicContact CG-CG 4.42Å; R112-E246 IonicContact CZ-OE1 2.96Å; R112-E246 IonicContact NE-OE1 3.74Å; R112-E246 IonicContact NH1-OE1 3.4Å; R112-E246 PolarHBondContact NH1-OE1 3.45Å
113R78.3Confident68.4Low205 Ų205113.1 Ų113.177%0.77459%0.593SS**EExtended strand (participates in β ladder)trans-60.6124.8176.8-68.1179.3178-178.5-2106.5G111 V245 E246G111-R113 PolarHBondContact O-N 2.88Å; R113-V245 HydrophobicContact CB-CG2 4.27Å; R113-V245 CarbonylContact O-C 3.55Å; R113-V245 WeakPolarHBondContact O-CA 3.45Å; R113-V245 WeakPolarHBondContact O-CG1 3.47Å; R113-E246 PolarHBondContact O-N 2.74Å
114R86.1Confident71Confident139 Ų139106.3 Ų106.353%0.52556%0.561SS.*EExtended strand (participates in β ladder)trans-87.3139.3174.4-166.9-177.2-178.3-163.91.3108.9R112 E246 D249R112-R114 PolarHBondContact O-N 3.42Å; R114-E246 CarbonylContact C-O 3.58Å; R114-E246 WeakPolarHBondContact CA-O 3.44Å; R114-D249 IonicContact CZ-OD2 3.57Å; R114-D249 IonicContact NH2-OD1 3.83Å; R114-D249 PolarHBondContact NH2-OD1 2.93Å; R114-D249 IonicContact NH2-OD2 2.64Å; R114-D249 PolarHBondContact NH2-OD2 2.95Å
115G86.1Confident73.6Confident17 Ų17102 Ų10218%0.17552%0.523CS..PPolyproline II helixtrans-73.3164175.100000111V245 E246 G248G115-V245 VanDerWaalsContact N-CG1 3.26Å; G115-E246 PolarHBondContact N-O 3.26Å; G115-G248 WeakPolarHBondContact O-CA 3.17Å
116E89.7Confident76.1Confident178 Ų17898.9 Ų98.983%0.83249%0.491SS*.PPolyproline II helixtrans-74147-179.8-61.6-176.2156.500111.3
117D92.8Very high78.8Confident78 Ų7891.8 Ų91.842%0.41747%0.468SS..PPolyproline II helixtrans-76.3142.3176.3-64.4-18.3000110.4G248 D249 V251D117-G248 WeakPolarHBondContact OD1-CA 3.33Å; D117-D249 CarbonylContact C-O 3.43Å; D117-D249 VanDerWaalsContact CA-O 3.24Å; D117-D249 WeakPolarHBondContact CA-O 3.41Å; D117-D249 WeakPolarHBondContact CB-O 3.5Å; D117-D249 PolarHBondContact OD1-N 2.85Å; D117-V251 HydrophobicContact CB-CG2 4.48Å
118M90.8Very high81.6Confident38 Ų3888.8 Ų88.819%0.18745%0.445CS..EExtended strand (participates in β ladder)trans-99.6117.9176.6-71.217665.500110.3H120 A239 D240 D249 I250 V251M118-H120 WeakPolarHBondContact CE-NE2 3.41Å; M118-A239 HydrophobicContact CB-CB 4.44Å; M118-A239 HydrophobicContact CG-CB 4.02Å; M118-A239 HydrophobicContact SD-CB 4.15Å; M118-D240 HydrophobicContact SD-CB 4.37Å; M118-D249 PolarHBondContact N-O 2.76Å; M118-I250 HydrophobicContact CB-CG1 4.25Å; M118-I250 CarbonylContact O-C 3.56Å; M118-I250 WeakPolarHBondContact O-CA 3.31Å; M118-V251 PolarHBondContact O-N 3.13Å
119V94.1Very high84.2Confident96 Ų9676.2 Ų76.258%0.58240%0.398SS*.EExtended strand (participates in β ladder)trans-98.3121.8179.1-173.80000110.3V251 V253V119-V251 CarbonylContact C-O 3.51Å; V119-V251 VanDerWaalsContact CA-O 3.3Å; V119-V251 WeakPolarHBondContact CA-O 3.44Å; V119-V251 HydrophobicContact CG2-CB 4.42Å; V119-V253 HydrophobicContact CG1-CG2 3.61Å
120H93.4Very high86.9Confident56 Ų5670.5 Ų70.526%0.25937%0.366SS..EExtended strand (participates in β ladder)trans-122.5127.5176.8-74.1-75.7000111.8M118 L122 V251 L252 V253M118-H120 WeakPolarHBondContact CE-NE2 3.41Å; H120-L122 PolarHBondContact O-N 3.47Å; H120-V251 PolarHBondContact N-O 3.09Å; H120-L252 HydrophobicContact CB-CD2 3.66Å; H120-L252 CarbonylContact O-C 3.6Å; H120-L252 VanDerWaalsContact O-CA 3.26Å; H120-L252 WeakPolarHBondContact O-CA 3.39Å; H120-V253 PolarHBondContact O-N 3.32Å
121P95.5Very high89.3Confident73 Ų7369.8 Ų69.847%0.47434%0.343SS..EExtended strand (participates in β ladder)trans-73.5126.1173.229-32.2000110.7V253 Q255P121-V253 WeakPolarHBondContact CA-O 3.04Å; P121-Q255 HydrophobicContact CB-CG 4.04Å
122L95.8Very high91.4Very high18 Ų1868.5 Ų68.59%0.09433%0.331CS..EExtended strand (participates in β ladder)trans-105107.1172.8-178.663.8000109.3H120 V124 V221 V223 L252 V253 L254 Q255H120-L122 PolarHBondContact O-N 3.47Å; L122-V124 HydrophobicContact CD2-CG1 4.38Å; L122-V124 HydrophobicContact CG-CG1 4.13Å; L122-V124 PolarHBondContact O-N 3.18Å; L122-V221 HydrophobicContact CD2-CB 4.29Å; L122-V221 HydrophobicContact CD2-CG1 3.72Å; L122-V223 HydrophobicContact CD2-CG2 4.2Å; L122-L252 HydrophobicContact CD2-CD1 4.48Å; L122-V253 PolarHBondContact N-O 3.46Å; L122-L254 HydrophobicContact CB-CD2 4.21Å; L122-L254 HydrophobicContact CD2-CD2 3.85Å; L122-L254 HydrophobicContact CG-CD2 4.3Å; L122-Q255 PolarHBondContact O-N 3.27Å
123K95.8Very high93.2Very high141 Ų14163.8 Ų63.861%0.61332%0.315SS*.EExtended strand (participates in β ladder)trans-75.3120.7179.2-60.6-176.3177.4-177.30110.7Q255 K257K123-Q255 CarbonylContact C-O 3.57Å; K123-Q255 WeakPolarHBondContact CA-O 3.45Å; K123-K257 VanDerWaalsContact CB-CE 3.47Å; K123-K257 HydrophobicContact CB-CG 4.28Å
124V96.1Very high94Very high2 Ų257.6 Ų57.61%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-125.6140.6-176.9-69.20000110.5L122 L129 V223 L254 Q255 E256 K257L122-V124 HydrophobicContact CD2-CG1 4.38Å; L122-V124 HydrophobicContact CG-CG1 4.13Å; L122-V124 PolarHBondContact O-N 3.18Å; V124-L129 HydrophobicContact CB-CD2 4.45Å; V124-L129 HydrophobicContact CB-CG 4.42Å; V124-L129 HydrophobicContact CG2-CD1 4.04Å; V124-L129 HydrophobicContact CG2-CD2 3.87Å; V124-L129 HydrophobicContact CG2-CG 3.97Å; V124-V223 HydrophobicContact CG1-CG1 4.43Å; V124-V223 HydrophobicContact CG1-CG2 4.08Å; V124-L254 HydrophobicContact CG1-CD2 4.05Å; V124-L254 HydrophobicContact CG2-CB 4.33Å; V124-L254 HydrophobicContact CG2-CD2 4.5Å; V124-Q255 PolarHBondContact N-O 2.95Å; V124-E256 WeakPolarHBondContact O-CA 3.49Å; V124-K257 PolarHBondContact O-N 2.8Å
125S96.6Very high94.3Very high26 Ų2652.2 Ų52.218%0.18228%0.283CS..  trans-81.4163.9173.866.40000111.6D127 D128 L129S125-D127 VanDerWaalsContact C-N 3.27Å; S125-D127 PolarHBondContact O-N 2.91Å; S125-D128 PolarHBondContact N-OD2 2.79Å; S125-D128 WeakPolarHBondContact O-CB 3.29Å; S125-D128 PolarHBondContact O-N 2.86Å; S125-D128 PolarHBondContact OG-N 3.37Å; S125-D128 PolarHBondContact OG-OD1 2.92Å; S125-D128 PolarHBondContact OG-OD2 2.83Å; S125-L129 WeakPolarHBondContact O-CG 2.91Å; S125-L129 PolarHBondContact O-N 2.84Å; S125-L129 VanDerWaalsContact O-N 3.09Å
126L96.1Very high94.7Very high3 Ų359.1 Ų59.12%0.01631%0.308CS..Hα-helixtrans-59-38171.9-110151.1000112.2L129 Y130 E256 H259 R264 L269 L291 M319L126-L129 PolarHBondContact O-N 3.41Å; L126-Y130 WeakPolarHBondContact O-CB 3.27Å; L126-Y130 PolarHBondContact O-N 2.8Å; L126-E256 WeakPolarHBondContact CD1-OE1 3.46Å; L126-E256 HydrophobicContact CG-CG 4.5Å; L126-E256 WeakPolarHBondContact CG-OE1 3.46Å; L126-H259 HydrophobicContact CB-CB 4.18Å; L126-H259 HydrophobicContact CD1-CB 3.59Å; L126-R264 HydrophobicContact CD1-CB 4.39Å; L126-R264 HydrophobicContact CD2-CB 4.09Å; L126-L269 HydrophobicContact CD2-CD2 3.87Å; L126-L291 HydrophobicContact CB-CD1 4.43Å; L126-L291 HydrophobicContact CB-CD2 4.08Å; L126-L291 HydrophobicContact CD2-CD1 3.84Å; L126-M319 HydrophobicContact CD2-CE 3.86Å; L126-M319 HydrophobicContact CD2-CG 4.44Å; L126-M319 HydrophobicContact CD2-SD 3.5Å; L126-M319 WeakPolarHBondContact CD2-SD 3.23Å
127D95.9Very high94.8Very high55 Ų5552.4 Ų52.429%0.29428%0.278SS..Hα-helixtrans-62.8-41.3174.4-46.2-98000112.4S125 L129 Y130 N131 H259S125-D127 VanDerWaalsContact C-N 3.27Å; S125-D127 PolarHBondContact O-N 2.91Å; D127-L129 VanDerWaalsContact C-N 3.31Å; D127-L129 PolarHBondContact O-N 2.8Å; D127-Y130 PolarHBondContact O-N 2.82Å; D127-N131 WeakPolarHBondContact O-CB 3.49Å; D127-N131 PolarHBondContact O-N 3.48Å; D127-N131 PolarHBondContact O-ND2 2.65Å; D127-H259 IonicContact OD2-CD2 3.78Å; D127-H259 IonicContact OD2-NE2 3.25Å
128D96Very high94.8Very high28 Ų2855 Ų5515%0.1529%0.288CS..Hα-helixtrans-64.2-39.7177.7-65.8-19.9000110.2S125 G132 K133S125-D128 PolarHBondContact N-OD2 2.79Å; S125-D128 WeakPolarHBondContact O-CB 3.29Å; S125-D128 PolarHBondContact O-N 2.86Å; S125-D128 PolarHBondContact OG-N 3.37Å; S125-D128 PolarHBondContact OG-OD1 2.92Å; S125-D128 PolarHBondContact OG-OD2 2.83Å; D128-G132 CarbonylContact O-C 3.53Å; D128-G132 WeakPolarHBondContact O-CA 3.39Å; D128-G132 PolarHBondContact O-N 3.26Å; D128-K133 HydrophobicContact CB-CB 4.2Å; D128-K133 HydrophobicContact CB-CD 3.93Å; D128-K133 WeakPolarHBondContact OD1-CD 3.4Å; D128-K133 IonicContact OD1-NZ 3.71Å; D128-K133 PolarHBondContact OD1-NZ 3.2Å; D128-K133 WeakPolarHBondContact OD2-CD 3.44Å; D128-K133 IonicContact OD2-NZ 3.45Å; D128-K133 PolarHBondContact OD2-NZ 3.04Å
129L96Very high94.8Very high0 Ų054 Ų540%028%0.282CS..Hα-helixtrans-72.2-28.4177.2-67.4174.2000112.9V124 S125 L126 D127 V223 K225 G226 M227 L254 E256 M319V124-L129 HydrophobicContact CB-CD2 4.45Å; V124-L129 HydrophobicContact CB-CG 4.42Å; V124-L129 HydrophobicContact CG2-CD1 4.04Å; V124-L129 HydrophobicContact CG2-CD2 3.87Å; V124-L129 HydrophobicContact CG2-CG 3.97Å; S125-L129 WeakPolarHBondContact O-CG 2.91Å; S125-L129 PolarHBondContact O-N 2.84Å; S125-L129 VanDerWaalsContact O-N 3.09Å; L126-L129 PolarHBondContact O-N 3.41Å; D127-L129 VanDerWaalsContact C-N 3.31Å; D127-L129 PolarHBondContact O-N 2.8Å; L129-V223 HydrophobicContact CD2-CG1 3.78Å; L129-K225 WeakPolarHBondContact O-CA 3.37Å; L129-G226 PolarHBondContact O-N 2.98Å; L129-M227 HydrophobicContact CD2-CB 4.03Å; L129-L254 HydrophobicContact CD2-CD1 4.35Å; L129-E256 HydrophobicContact CD1-CB 4.13Å; L129-E256 HydrophobicContact CD1-CG 3.84Å; L129-M319 HydrophobicContact CB-CE 3.74Å
130Y96.7Very high94.7Very high10 Ų1053 Ų534%0.03928%0.28CS..Hα-helixtrans-78-48.1177.6-168.9-84.7000112L126 D127 K225 H290 L291 D292 G318 M319 P320 K328L126-Y130 WeakPolarHBondContact O-CB 3.27Å; L126-Y130 PolarHBondContact O-N 2.8Å; D127-Y130 PolarHBondContact O-N 2.82Å; Y130-K225 WeakPolarHBondContact O-CG 3.48Å; Y130-H290 AromaticContact CE2-CE1 3.33Å; Y130-H290 WeakPolarHBondContact CE2-CE1 3.49Å; Y130-H290 AromaticContact CE2-ND1 3.88Å; Y130-H290 AromaticContact CZ-CE1 3.54Å; Y130-H290 AromaticContact CZ-ND1 3.7Å; Y130-H290 PolarHBondContact OH-CE1 3.17Å; Y130-L291 HydrophobicContact CD1-CB 4.15Å; Y130-L291 HydrophobicContact CD2-CB 3.99Å; Y130-L291 HydrophobicContact CD2-CD1 3.73Å; Y130-L291 HydrophobicContact CD2-CG 4.47Å; Y130-L291 HydrophobicContact CG-CB 3.73Å; Y130-L291 HydrophobicContact CG-CD1 4.11Å; Y130-D292 HydrophobicContact CD1-CB 4.04Å; Y130-D292 HydrophobicContact CE1-CB 3.7Å; Y130-G318 VanDerWaalsContact CE2-O 3.29Å; Y130-G318 WeakPolarHBondContact CE2-O 3.26Å; Y130-M319 HydrophobicContact CD2-SD 3.77Å; Y130-P320 VanDerWaalsContact CD2-CD 3.46Å; Y130-P320 HydrophobicContact CD2-CG 4.43Å; Y130-K328 WeakPolarHBondContact OH-CE 3.26Å; Y130-K328 PolarHBondContact OH-NZ 3.35Å
131N95.3Very high94.6Very high65 Ų6551 Ų5135%0.34827%0.27SS..Hα-helixtrans-89.8-17.3-174.2-62.3-59.7000113.2D127 K225 L291 D292D127-N131 WeakPolarHBondContact O-CB 3.49Å; D127-N131 PolarHBondContact O-N 3.48Å; D127-N131 PolarHBondContact O-ND2 2.65Å; N131-K225 WeakPolarHBondContact O-CE 3.37Å; N131-L291 PolarHBondContact ND2-O 2.64Å; N131-D292 WeakPolarHBondContact OD1-CA 3.42Å; N131-D292 WeakPolarHBondContact OD1-CB 3.38Å
132G94.8Very high94.5Very high27 Ų2749.5 Ų49.528%0.27826%0.259SS..  trans74.6149.2-167.200000110.9D128 V223D128-G132 CarbonylContact O-C 3.53Å; D128-G132 WeakPolarHBondContact O-CA 3.39Å; D128-G132 PolarHBondContact O-N 3.26Å; G132-V223 CarbonylContact C-O 3.26Å; G132-V223 WeakPolarHBondContact CA-O 3.47Å
133K94.8Very high94.4Very high85 Ų8549.2 Ų49.237%0.3726%0.258SS..EExtended strand (participates in β ladder)trans-152.4142.4-177.6-176.3173.8-178.7171.40111.5D128 T135 V223D128-K133 HydrophobicContact CB-CB 4.2Å; D128-K133 HydrophobicContact CB-CD 3.93Å; D128-K133 WeakPolarHBondContact OD1-CD 3.4Å; D128-K133 IonicContact OD1-NZ 3.71Å; D128-K133 PolarHBondContact OD1-NZ 3.2Å; D128-K133 WeakPolarHBondContact OD2-CD 3.44Å; D128-K133 IonicContact OD2-NZ 3.45Å; D128-K133 PolarHBondContact OD2-NZ 3.04Å; K133-T135 HydrophobicContact CD-CG2 3.63Å; K133-T135 HydrophobicContact CG-CG2 3.62Å; K133-V223 PolarHBondContact N-O 2.68Å; K133-V223 WeakPolarHBondContact O-CB 3.25Å; K133-V223 PolarHBondContact O-N 3.34Å
134T95.2Very high94.2Very high74 Ų7445.5 Ų45.545%0.45424%0.244SC..EExtended strand (participates in β ladder)trans-102.1120.7167-56.40000108.9E220 V221 H222T134-E220 HydrophobicContact CG2-CG 3.43Å; T134-E220 VanDerWaalsContact CG2-CG 3.43Å; T134-E220 WeakPolarHBondContact CG2-OE1 3.16Å; T134-V221 CarbonylContact C-O 3.59Å; T134-V221 WeakPolarHBondContact CA-O 3.41Å; T134-H222 VanDerWaalsContact CG2-CE1 3.44Å; T134-H222 WeakPolarHBondContact CG2-CE1 3.39Å; T134-H222 WeakPolarHBondContact CG2-ND1 3.46Å; T134-H222 PolarHBondContact OG1-ND1 3.29Å
135T92.8Very high94.1Very high27 Ų2745.4 Ų45.417%0.16624%0.243CC..EExtended strand (participates in β ladder)trans-119.1140.4-179.868.90000110.6K133 V221K133-T135 HydrophobicContact CD-CG2 3.63Å; K133-T135 HydrophobicContact CG-CG2 3.62Å; T135-V221 PolarHBondContact N-O 3.33Å; T135-V221 PolarHBondContact O-N 2.94Å
136K94Very high93.8Very high161 Ų16148 Ų4870%0.726%0.261SS*.EExtended strand (participates in β ladder)trans-95.4116.8173.6-65.8-174.1-178.9-175.90108.6I218 L219K136-I218 HydrophobicContact CB-CG2 3.78Å; K136-I218 HydrophobicContact CD-CG2 4.33Å; K136-I218 HydrophobicContact CG-CG2 4.32Å; K136-L219 CarbonylContact C-O 3.57Å; K136-L219 WeakPolarHBondContact CA-O 3.48Å
137L92.4Very high93.5Very high38 Ų3851.7 Ų51.720%0.19929%0.287CS..EExtended strand (participates in β ladder)trans-104.2120.1178.6-17666.8000109.5L139 I218 L219 V221 L252L137-L139 HydrophobicContact CD2-CD1 3.97Å; L137-L139 HydrophobicContact CD2-CD2 3.93Å; L137-L139 HydrophobicContact CD2-CG 3.99Å; L137-L139 HydrophobicContact CG-CD1 4.45Å; L137-L139 HydrophobicContact CG-CD2 4.01Å; L137-L139 HydrophobicContact CG-CG 3.98Å; L137-I218 WeakPolarHBondContact O-CA 3.3Å; L137-L219 PolarHBondContact N-O 3.41Å; L137-L219 PolarHBondContact O-N 2.97Å; L137-V221 HydrophobicContact CB-CG2 4.02Å; L137-L252 HydrophobicContact CD2-CD1 3.76Å; L137-L252 HydrophobicContact CD2-CD2 3.54Å; L137-L252 HydrophobicContact CD2-CG 4.33Å
138Q92.9Very high93.1Very high133 Ų13349.6 Ų49.662%0.62128%0.277SS*.EExtended strand (participates in β ladder)trans-88.3119.3174.8-175.4177.8-36.100109.5V216Q138-V216 VanDerWaalsContact CD-CG1 3.47Å; Q138-V216 HydrophobicContact CG-CG1 3.25Å
139L91.6Very high92.7Very high15 Ų1554.2 Ų54.28%0.07930%0.302CS..EExtended strand (participates in β ladder)trans-121.8137.5178.2-64.8176.6000110.3L137 V216 K217 L219 I250 L252L137-L139 HydrophobicContact CD2-CD1 3.97Å; L137-L139 HydrophobicContact CD2-CD2 3.93Å; L137-L139 HydrophobicContact CD2-CG 3.99Å; L137-L139 HydrophobicContact CG-CD1 4.45Å; L137-L139 HydrophobicContact CG-CD2 4.01Å; L137-L139 HydrophobicContact CG-CG 3.98Å; L139-V216 CarbonylContact O-C 3.42Å; L139-V216 WeakPolarHBondContact O-CA 3.43Å; L139-K217 PolarHBondContact N-O 3.06Å; L139-K217 PolarHBondContact O-N 3.25Å; L139-L219 HydrophobicContact CD1-CD1 3.74Å; L139-I250 HydrophobicContact CD1-CD1 3.83Å; L139-I250 HydrophobicContact CD1-CG2 3.74Å; L139-L252 HydrophobicContact CD1-CD2 4.48Å
140S91.1Very high92.3Very high76 Ų7654.5 Ų54.553%0.53131%0.305SS..EExtended strand (participates in β ladder)trans-93.7125.9169.262.70000109.5E215S140-E215 WeakPolarHBondContact CA-O 3.2Å
141K91.7Very high91.8Very high14 Ų1458 Ų586%0.06132%0.322CS..EExtended strand (participates in β ladder)trans-132159.2176.469.1177.6-169.5171.30111.7V143 K214 E215 E238 D240K141-V143 HydrophobicContact CD-CG1 4.41Å; K141-V143 HydrophobicContact CG-CG1 4.1Å; K141-K214 WeakPolarHBondContact O-CA 3.43Å; K141-E215 PolarHBondContact N-O 3.41Å; K141-E215 PolarHBondContact O-N 3.09Å; K141-E238 WeakPolarHBondContact CD-O 3.29Å; K141-E238 PolarHBondContact NZ-O 3.1Å; K141-E238 IonicContact NZ-OE2 3.93Å; K141-E238 PolarHBondContact NZ-OE2 2.78Å; K141-D240 WeakPolarHBondContact CA-OD1 3.26Å; K141-D240 WeakPolarHBondContact CB-OD1 3.41Å
142N92.8Very high91.3Very high42 Ų4254.9 Ų54.923%0.22531%0.305CS..EExtended strand (participates in β ladder)trans-82125.7170.7-65.3-52.9000109.5V212 K214 D240 Q241N142-V212 HydrophobicContact CB-CB 4.27Å; N142-V212 HydrophobicContact CB-CG2 4.29Å; N142-K214 WeakPolarHBondContact OD1-CG 3.44Å; N142-D240 HydrophobicContact CB-CB 4.23Å; N142-D240 PolarHBondContact N-OD1 2.81Å; N142-D240 PolarHBondContact ND2-OD2 2.73Å; N142-Q241 PolarHBondContact O-N 2.89Å
143V93.5Very high91Very high12 Ų1253.8 Ų53.87%0.07329%0.294CS..EExtended strand (participates in β ladder)trans-116.8154.9171.4-610000109.8K141 C145 V212 V213 E215K141-V143 HydrophobicContact CD-CG1 4.41Å; K141-V143 HydrophobicContact CG-CG1 4.1Å; V143-C145 PolarHBondContact O-N 3.28Å; V143-V212 CarbonylContact O-C 3.54Å; V143-V212 WeakPolarHBondContact O-CA 3.42Å; V143-V212 WeakPolarHBondContact O-CB 3.42Å; V143-V213 HydrophobicContact CG2-CG2 3.61Å; V143-V213 WeakPolarHBondContact CG2-O 3.46Å; V143-V213 PolarHBondContact N-O 3.2Å; V143-V213 PolarHBondContact O-N 2.86Å; V143-E215 HydrophobicContact CG1-CB 4.08Å; V143-E215 HydrophobicContact CG2-CB 3.8Å; V143-E215 VanDerWaalsContact CG2-OE2 3.31Å; V143-E215 WeakPolarHBondContact CG2-OE2 3.45Å
144L92.6Very high90.5Very high62 Ų6255.9 Ų55.933%0.32530%0.303SS..EExtended strand (participates in β ladder)trans-57.5133.1172.7-66.8177000110.1S146 V212 Q241 P243L144-S146 PolarHBondContact O-N 3.2Å; L144-V212 HydrophobicContact CD2-CG1 4.33Å; L144-Q241 HydrophobicContact CG-CB 4.18Å; L144-P243 HydrophobicContact CD2-CB 4.41Å; L144-P243 HydrophobicContact CD2-CG 3.91Å
145C92.3Very high89.9Confident0 Ų058.2 Ų58.20%032%0.317CS..  trans-62.4111.7-178.3176.80000110.1V143 S147 C148 N149 C207 K211 V213V143-C145 PolarHBondContact O-N 3.28Å; C145-S147 PolarHBondContact O-N 3.44Å; C145-S147 VanDerWaalsContact O-N 3.09Å; C145-C148 VanDerWaalsContact CB-SG 3.59Å; C145-C148 CarbonylContact O-C 3.51Å; C145-C148 PolarHBondContact O-N 3.39Å; C145-C148 VanDerWaalsContact O-N 3.08Å; C145-C148 VanDerWaalsContact SG-SG 3.67Å; C145-N149 WeakPolarHBondContact O-CA 3.38Å; C145-N149 PolarHBondContact O-N 3.29Å; C145-C207 HydrophobicContact CB-CB 3.85Å; C145-K211 WeakPolarHBondContact CB-O 3.44Å; C145-K211 PolarHBondContact N-O 2.82Å; C145-V213 HydrophobicContact CB-CG1 3.98Å
146S90.9Very high89.3Confident80 Ų8059.9 Ų59.956%0.55934%0.34SS*.THydrogen-bonded Turntrans-59.5-23.3-178.857.80000114.3L144 K206L144-S146 PolarHBondContact O-N 3.2Å; S146-K206 PolarHBondContact OG-NZ 3.05Å
147S90.1Very high88.7Confident81 Ų8152.8 Ų52.857%0.56631%0.311SS*.THydrogen-bonded Turntrans-79.4-20.5178.7-56.70000114.1C145 K206C145-S147 PolarHBondContact O-N 3.44Å; C145-S147 VanDerWaalsContact O-N 3.09Å; S147-K206 VanDerWaalsContact OG-CD 3.29Å; S147-K206 WeakPolarHBondContact OG-CD 3.11Å
148C88.5Confident88.4Confident12 Ų1252.8 Ų52.88%0.08131%0.313CS..THydrogen-bonded Turntrans-134.67.6-179.567.60000113.7C145 G150 Q151 G152 C204C145-C148 VanDerWaalsContact CB-SG 3.59Å; C145-C148 CarbonylContact O-C 3.51Å; C145-C148 PolarHBondContact O-N 3.39Å; C145-C148 VanDerWaalsContact O-N 3.08Å; C145-C148 VanDerWaalsContact SG-SG 3.67Å; C148-G150 PolarHBondContact O-N 2.77Å; C148-G150 VanDerWaalsContact O-N 3.13Å; C148-Q151 VanDerWaalsContact O-CB 3.27Å; C148-Q151 WeakPolarHBondContact O-CB 3.48Å; C148-Q151 WeakPolarHBondContact O-CG 3.46Å; C148-Q151 PolarHBondContact O-N 3.18Å; C148-G152 PolarHBondContact SG-N 3.35Å; C148-C204 HydrophobicContact CB-CB 4.02Å
149N87.4Confident88.1Confident125 Ų12552 Ų5267%0.66831%0.309SS*.THydrogen-bonded Turntrans4641.9-178.3-61.2-37.5000114C145 Q151C145-N149 WeakPolarHBondContact O-CA 3.38Å; C145-N149 PolarHBondContact O-N 3.29Å; N149-Q151 VanDerWaalsContact C-N 3.35Å; N149-Q151 PolarHBondContact O-N 3.35Å
150G86.4Confident87.9Confident6 Ų659.2 Ų59.26%0.06234%0.34CS..THydrogen-bonded Turntrans80.47.1179.600000115.7C148 K211 P243C148-G150 PolarHBondContact O-N 2.77Å; C148-G150 VanDerWaalsContact O-N 3.13Å; G150-K211 WeakPolarHBondContact CA-O 3.16Å; G150-K211 VanDerWaalsContact O-CB 3.31Å; G150-K211 WeakPolarHBondContact O-CB 3.2Å; G150-K211 WeakPolarHBondContact O-CD 3.45Å; G150-K211 VanDerWaalsContact O-CG 3.28Å; G150-K211 WeakPolarHBondContact O-CG 3.24Å; G150-P243 WeakPolarHBondContact O-CG 3.35Å
151Q86.4Confident87.8Confident83 Ų8355.7 Ų55.739%0.38832%0.315SS..SBendtrans-82.1-27.9178.6-63.2-179.610.500113C148 N149 G153 V158 K211C148-Q151 VanDerWaalsContact O-CB 3.27Å; C148-Q151 WeakPolarHBondContact O-CB 3.48Å; C148-Q151 WeakPolarHBondContact O-CG 3.46Å; C148-Q151 PolarHBondContact O-N 3.18Å; N149-Q151 VanDerWaalsContact C-N 3.35Å; N149-Q151 PolarHBondContact O-N 3.35Å; Q151-G153 VanDerWaalsContact C-N 3.26Å; Q151-G153 PolarHBondContact O-N 3.26Å; Q151-V158 WeakPolarHBondContact O-CG2 3.41Å; Q151-K211 WeakPolarHBondContact O-CE 3.5Å
152G85Confident87.7Confident0 Ų061.2 Ų61.20%035%0.35CS..SBendtrans85.1-12.3178.500000114.6C148 C204 G209C148-G152 PolarHBondContact SG-N 3.35Å; G152-C204 WeakPolarHBondContact O-CB 3.41Å; G152-C204 PolarHBondContact O-N 3.36Å; G152-G209 VanDerWaalsContact O-CA 3.29Å; G152-G209 WeakPolarHBondContact O-CA 3.35Å
153G87.8Confident87.4Confident4 Ų460.5 Ų60.54%0.04135%0.35CS..BIsolated β-bridgetrans-149.1-173.4177.300000112.2Q151 D202Q151-G153 VanDerWaalsContact C-N 3.26Å; Q151-G153 PolarHBondContact O-N 3.26Å; G153-D202 CarbonylContact C-O 3.5Å; G153-D202 WeakPolarHBondContact CA-O 3.13Å
154K85.8Confident87.2Confident128 Ų12860.4 Ų60.456%0.55735%0.35SS*.SBendtrans-61.8155.3168.9-65.2175.3-170.9156.90110.3G156 A157 D202K154-G156 PolarHBondContact O-N 3.28Å; K154-G156 VanDerWaalsContact O-N 3.17Å; K154-A157 HydrophobicContact CB-CB 4.27Å; K154-A157 WeakPolarHBondContact O-CB 3.28Å; K154-A157 PolarHBondContact O-N 3.11Å; K154-D202 PolarHBondContact N-O 2.9Å; K154-D202 IonicContact NZ-OD1 2.79Å; K154-D202 PolarHBondContact NZ-OD1 3.3Å
155T81.3Confident86.9Confident124 Ų12467.6 Ų67.676%0.76137%0.373SS*.THydrogen-bonded Turntrans-54.3121.4175.446.60000110.7
156G79.9Confident86.5Confident62 Ų6269.4 Ų69.464%0.63939%0.391SS*.THydrogen-bonded Turntrans86.4-4.8-17800000115.8K154 V158 Q159K154-G156 PolarHBondContact O-N 3.28Å; K154-G156 VanDerWaalsContact O-N 3.17Å; G156-V158 VanDerWaalsContact C-N 3.28Å; G156-V158 PolarHBondContact O-N 2.91Å; G156-Q159 PolarHBondContact O-NE2 2.73Å; G156-Q159 VanDerWaalsContact O-NE2 3.07Å
157A83Confident86.2Confident12 Ų1274.6 Ų74.610%0.09940%0.398CS..  trans-76.1-16.3177.900000113.9K154 Q159 I198 D202K154-A157 HydrophobicContact CB-CB 4.27Å; K154-A157 WeakPolarHBondContact O-CB 3.28Å; K154-A157 PolarHBondContact O-N 3.11Å; A157-Q159 PolarHBondContact O-N 3.13Å; A157-I198 HydrophobicContact CB-CG2 4.26Å; A157-D202 HydrophobicContact CB-CB 3.54Å
158V85.1Confident85.9Confident38 Ų3870.9 Ų70.923%0.2337%0.373CS..EExtended strand (participates in β ladder)trans-79.1116.5179.4-174.70000109.1Q151 G156 E196 I198Q151-V158 WeakPolarHBondContact O-CG2 3.41Å; G156-V158 VanDerWaalsContact C-N 3.28Å; G156-V158 PolarHBondContact O-N 2.91Å; V158-E196 HydrophobicContact CG1-CB 3.79Å; V158-E196 HydrophobicContact CG1-CG 3.9Å; V158-E196 VanDerWaalsContact CG1-OE2 3.23Å; V158-E196 WeakPolarHBondContact CG1-OE2 3.43Å; V158-I198 HydrophobicContact CG2-CD1 3.99Å; V158-I198 HydrophobicContact CG2-CG1 4.15Å
159Q87.3Confident85.9Confident115 Ų11574.5 Ų74.554%0.53739%0.39SS..EExtended strand (participates in β ladder)trans-116.2145.5-179.6-62.8-61.9-41.800110.3G156 A157 C161 E196 V197G156-Q159 PolarHBondContact O-NE2 2.73Å; G156-Q159 VanDerWaalsContact O-NE2 3.07Å; A157-Q159 PolarHBondContact O-N 3.13Å; Q159-C161 PolarHBondContact O-N 2.87Å; Q159-E196 CarbonylContact O-C 3.52Å; Q159-E196 VanDerWaalsContact O-CA 3.3Å; Q159-E196 WeakPolarHBondContact O-CA 3.28Å; Q159-V197 PolarHBondContact N-O 3.23Å; Q159-V197 PolarHBondContact O-N 2.79Å
160K88Confident85.8Confident167 Ų16772.4 Ų72.473%0.72637%0.372SS*.EExtended strand (participates in β ladder)trans-65.5133.5174.4-72-177.2-179.7177.90109.4T162K160-T162 PolarHBondContact O-N 2.81Å
161C88.5Confident85.6Confident2 Ų277 Ų771%0.01440%0.395CS..  trans-61.3112.2175.6-178.50000109.6Q159 A163 C164 R165 G166 C191 G195 V197Q159-C161 PolarHBondContact O-N 2.87Å; C161-A163 PolarHBondContact O-N 2.8Å; C161-A163 VanDerWaalsContact SG-CB 3.51Å; C161-C164 VanDerWaalsContact CB-SG 3.53Å; C161-C164 PolarHBondContact SG-SG 3.37Å; C161-R165 CarbonylContact O-C 3.52Å; C161-R165 WeakPolarHBondContact O-CA 3.43Å; C161-R165 PolarHBondContact O-N 2.8Å; C161-G166 PolarHBondContact O-N 2.67Å; C161-G166 VanDerWaalsContact O-N 3.08Å; C161-C191 HydrophobicContact CB-CB 3.73Å; C161-C191 VanDerWaalsContact SG-CB 3.58Å; C161-C191 VanDerWaalsContact SG-SG 3.62Å; C161-G195 WeakPolarHBondContact CB-O 3.12Å; C161-G195 PolarHBondContact N-O 3.08Å; C161-V197 HydrophobicContact CB-CG2 3.81Å
162T89.8Confident85.2Confident131 Ų13178.6 Ų78.680%0.80440%0.403SS*.THydrogen-bonded Turntrans-64-35.3-179.551.60000111.5K160 R165K160-T162 PolarHBondContact O-N 2.81Å; T162-R165 PolarHBondContact O-N 2.84Å
163A86.8Confident85Confident27 Ų2783.8 Ų83.822%0.22343%0.43CS..THydrogen-bonded Turntrans-62.5-38.6-17800000115.8C161 R170 D190C161-A163 PolarHBondContact O-N 2.8Å; C161-A163 VanDerWaalsContact SG-CB 3.51Å; A163-R170 VanDerWaalsContact CA-NH2 3.29Å; A163-R170 VanDerWaalsContact CB-CZ 3.5Å; A163-R170 PolarHBondContact O-NE 3.02Å; A163-R170 PolarHBondContact O-NH2 3.25Å; A163-D190 HydrophobicContact CB-CB 3.68Å; A163-D190 WeakPolarHBondContact CB-OD2 3.49Å
164C87.6Confident84.7Confident9 Ų991.9 Ų91.96%0.06146%0.459CS..THydrogen-bonded Turntrans-114.75.4172.464.80000112.9C161 G166 R167 G168 R170 C188C161-C164 VanDerWaalsContact CB-SG 3.53Å; C161-C164 PolarHBondContact SG-SG 3.37Å; C164-G166 PolarHBondContact O-N 2.75Å; C164-R167 VanDerWaalsContact O-CB 3.25Å; C164-R167 WeakPolarHBondContact O-CB 3.26Å; C164-R167 WeakPolarHBondContact O-CG 3.34Å; C164-R167 PolarHBondContact O-N 2.92Å; C164-G168 PolarHBondContact SG-N 3.19Å; C164-R170 HydrophobicContact CB-CG 4.32Å; C164-C188 HydrophobicContact CB-CB 3.73Å
165R86.9Confident84.3Confident214 Ų21493 Ų9381%0.80847%0.467SS*.THydrogen-bonded Turntrans50.540.8-173.8-56.4-179-175.3172.11.1113.1C161 T162 R167C161-R165 CarbonylContact O-C 3.52Å; C161-R165 WeakPolarHBondContact O-CA 3.43Å; C161-R165 PolarHBondContact O-N 2.8Å; T162-R165 PolarHBondContact O-N 2.84Å; R165-R167 VanDerWaalsContact C-N 3.32Å; R165-R167 PolarHBondContact O-N 2.95Å
166G83.8Confident84.3Confident37 Ų3792 Ų9238%0.38146%0.456SS..THydrogen-bonded Turntrans78.57.4-178.900000115.9C161 C164 G195C161-G166 PolarHBondContact O-N 2.67Å; C161-G166 VanDerWaalsContact O-N 3.08Å; C164-G166 PolarHBondContact O-N 2.75Å; G166-G195 WeakPolarHBondContact CA-O 3.41Å
167R84.1Confident84.4Confident190 Ų19091.2 Ų91.272%0.71744%0.443SS*.SBendtrans-86-12.3-178.5-63.5-178.8177.7-174.5-1.9114.4C164 R165 M169C164-R167 VanDerWaalsContact O-CB 3.25Å; C164-R167 WeakPolarHBondContact O-CB 3.26Å; C164-R167 WeakPolarHBondContact O-CG 3.34Å; C164-R167 PolarHBondContact O-N 2.92Å; R165-R167 VanDerWaalsContact C-N 3.32Å; R165-R167 PolarHBondContact O-N 2.95Å; R167-M169 PolarHBondContact O-N 3.45Å
168G84.1Confident84.3Confident3 Ų397.2 Ų97.23%0.03148%0.481CS..SBendtrans70.1-15.6-175.900000115C164 C188 G193C164-G168 PolarHBondContact SG-N 3.19Å; G168-C188 WeakPolarHBondContact O-CB 3.35Å; G168-C188 PolarHBondContact O-N 2.95Å; G168-G193 WeakPolarHBondContact CA-O 3.48Å; G168-G193 VanDerWaalsContact O-CA 3.3Å; G168-G193 WeakPolarHBondContact O-CA 3.29Å
169M88.3Confident84.2Confident88 Ų8899.6 Ų99.643%0.43351%0.513SS..EExtended strand (participates in β ladder)trans-129.5148-177.2-65.6172.5-73.700111R167 Q185 S186R167-M169 PolarHBondContact O-N 3.45Å; M169-Q185 HydrophobicContact CB-CG 3.96Å; M169-Q185 HydrophobicContact CG-CG 4.39Å; M169-Q185 HydrophobicContact SD-CG 4.01Å; M169-Q185 PolarHBondContact SD-NE2 2.62Å; M169-S186 CarbonylContact C-O 3.55Å; M169-S186 WeakPolarHBondContact CA-O 3.46Å
170R85.3Confident83.7Confident80 Ų80100 Ų10030%0.30252%0.517SS..EExtended strand (participates in β ladder)trans-115.2142.4175.7-75.8176.6158.3165.3-12.2109.3A163 C164 S186 C188 T189 D190A163-R170 VanDerWaalsContact CA-NH2 3.29Å; A163-R170 VanDerWaalsContact CB-CZ 3.5Å; A163-R170 PolarHBondContact O-NE 3.02Å; A163-R170 PolarHBondContact O-NH2 3.25Å; C164-R170 HydrophobicContact CB-CG 4.32Å; R170-S186 PolarHBondContact N-O 2.94Å; R170-S186 PolarHBondContact O-N 3.02Å; R170-C188 HydrophobicContact CG-CB 4.11Å; R170-T189 PolarHBondContact NH1-OG1 3.3Å; R170-D190 IonicContact CZ-OD2 3.92Å; R170-D190 IonicContact NH1-OD1 2.67Å; R170-D190 PolarHBondContact NH1-OD1 3.09Å; R170-D190 IonicContact NH1-OD2 2.81Å; R170-D190 PolarHBondContact NH1-OD2 2.84Å; R170-D190 IonicContact NH2-OD2 2.73Å; R170-D190 PolarHBondContact NH2-OD2 2.81Å
171I83.5Confident83.4Confident104 Ų10495.8 Ų95.853%0.53351%0.505SS..EExtended strand (participates in β ladder)trans-92.1113173.6-58.2173000106.6Q183I171-Q183 HydrophobicContact CG2-CB 3.91Å; I171-Q183 HydrophobicContact CG2-CG 4.25Å
172M78.6Confident83Confident115 Ų115101.2 Ų101.257%0.56753%0.53SS*.EExtended strand (participates in β ladder)trans-97.5118.6173.4-75.1-103.3-7600108.4M184M172-M184 PolarHBondContact N-O 2.97Å; M172-M184 PolarHBondContact O-N 2.89Å
173I80.6Confident82.7Confident110 Ų110101.2 Ų101.256%0.56452%0.521SS*.EExtended strand (participates in β ladder)trans-87.4111.9176.2-54.4-180000107.5V181 Q183I173-V181 HydrophobicContact CG2-CB 3.67Å; I173-V181 HydrophobicContact CG2-CG1 3.69Å; I173-V181 HydrophobicContact CG2-CG2 4.48Å; I173-Q183 HydrophobicContact CG1-CG 4.39Å
174R80.7Confident82.5Confident173 Ų173104.7 Ų104.765%0.65353%0.534SS*.EExtended strand (participates in β ladder)trans-101.1120.1174.2-169.1174-176.2177.10.1108.8Q182R174-Q182 PolarHBondContact N-O 2.99Å; R174-Q182 PolarHBondContact O-N 3.13Å
175Q77.7Confident82.4Confident153 Ų153110.5 Ų110.572%0.71556%0.56SS**EExtended strand (participates in β ladder)trans-78.4117.2169-81.8178.4-7.500108.5V181Q175-V181 HydrophobicContact CG-CG1 3.44Å; Q175-V181 VanDerWaalsContact CG-CG1 3.44Å
176L79.9Confident82.5Confident102 Ų102102 Ų10253%0.53453%0.533SS..EExtended strand (participates in β ladder)trans-93-28.9174.2-73.598000111.7M180 Q182L176-M180 PolarHBondContact N-O 2.97Å; L176-M180 VanDerWaalsContact N-O 3.11Å; L176-Q182 HydrophobicContact CD1-CB 3.4Å; L176-Q182 VanDerWaalsContact CD1-CB 3.4Å; L176-Q182 HydrophobicContact CD1-CG 4.48Å
177A83.6Confident82.8Confident45 Ų45104.5 Ų104.537%0.37254%0.541SS..EExtended strand (participates in β ladder)trans-152.3162.4177.200000110.8G179 M180A177-G179 PolarHBondContact O-N 2.83Å; A177-G179 VanDerWaalsContact O-N 3.1Å; A177-M180 HydrophobicContact CB-CB 4.19Å; A177-M180 PolarHBondContact O-N 3.03Å
178P81Confident83.1Confident139 Ų13995.4 Ų95.490%0.90351%0.506SS*.THydrogen-bonded Turntrans-52.9117.9170.3-2434.2000110.5
179G81.6Confident83.3Confident87 Ų8799.9 Ų99.990%0.89753%0.533SS*.THydrogen-bonded Turntrans85.3-5.6-178.100000116.3A177A177-G179 PolarHBondContact O-N 2.83Å; A177-G179 VanDerWaalsContact O-N 3.1Å
180M76.4Confident83.2Confident124 Ų12499.6 Ų99.661%0.61153%0.534SS*.EExtended strand (participates in β ladder)trans-119.4103.5-179.4-166.4173.4160.100111.3L176 A177L176-M180 PolarHBondContact N-O 2.97Å; L176-M180 VanDerWaalsContact N-O 3.11Å; A177-M180 HydrophobicContact CB-CB 4.19Å; A177-M180 PolarHBondContact O-N 3.03Å
181V82.5Confident83.2Confident79 Ų7996.2 Ų96.248%0.47952%0.522SS..EExtended strand (participates in β ladder)trans-103.2130.8174.7-74.30000110.6I173 Q175I173-V181 HydrophobicContact CG2-CB 3.67Å; I173-V181 HydrophobicContact CG2-CG1 3.69Å; I173-V181 HydrophobicContact CG2-CG2 4.48Å; Q175-V181 HydrophobicContact CG-CG1 3.44Å; Q175-V181 VanDerWaalsContact CG-CG1 3.44Å
182Q80.7Confident83.2Confident115 Ų11597.6 Ų97.654%0.53753%0.53SS..EExtended strand (participates in β ladder)trans-105.7125.5168.8-169.2176.62100108.9R174 L176 M184R174-Q182 PolarHBondContact N-O 2.99Å; R174-Q182 PolarHBondContact O-N 3.13Å; L176-Q182 HydrophobicContact CD1-CB 3.4Å; L176-Q182 VanDerWaalsContact CD1-CB 3.4Å; L176-Q182 HydrophobicContact CD1-CG 4.48Å; Q182-M184 PolarHBondContact O-N 3.25Å
183Q82.8Confident83.4Confident132 Ų13293.9 Ų93.962%0.61752%0.521SS*.EExtended strand (participates in β ladder)trans-83.7113.1172.4-62.9-1715.300108.4I171 I173I171-Q183 HydrophobicContact CG2-CB 3.91Å; I171-Q183 HydrophobicContact CG2-CG 4.25Å; I173-Q183 HydrophobicContact CG1-CG 4.39Å
184M82.1Confident83.5Confident100 Ų10094 Ų9449%0.49352%0.52SS..EExtended strand (participates in β ladder)trans-104.5127.9174.9-165178.984.400109.1M172 Q182M172-M184 PolarHBondContact N-O 2.97Å; M172-M184 PolarHBondContact O-N 2.89Å; Q182-M184 PolarHBondContact O-N 3.25Å
185Q85.7Confident83.7Confident131 Ų13186 Ų8661%0.61249%0.491SS*.EExtended strand (participates in β ladder)trans-84.4119.6174-170.6167.36.500108.9M169M169-Q185 HydrophobicContact CB-CG 3.96Å; M169-Q185 HydrophobicContact CG-CG 4.39Å; M169-Q185 HydrophobicContact SD-CG 4.01Å; M169-Q185 PolarHBondContact SD-NE2 2.62Å
186S89.5Confident84.1Confident34 Ų3482.1 Ų82.124%0.23847%0.472CS..EExtended strand (participates in β ladder)trans-116.8151.9174.964.40000110.8M169 R170 C188M169-S186 CarbonylContact C-O 3.55Å; M169-S186 WeakPolarHBondContact CA-O 3.46Å; R170-S186 PolarHBondContact N-O 2.94Å; R170-S186 PolarHBondContact O-N 3.02Å; S186-C188 PolarHBondContact O-N 3.5Å
187V90.8Very high84.5Confident90 Ų9079.8 Ų79.855%0.54546%0.462SS..EExtended strand (participates in β ladder)trans-64134.5173.8-1790000108.8T189 G193V187-T189 PolarHBondContact O-N 2.94Å; V187-T189 VanDerWaalsContact O-N 3.17Å; V187-G193 VanDerWaalsContact CG1-N 3.34Å
188C89.3Confident84.6Confident0 Ų078.2 Ų78.20%045%0.447CS..  trans-67.1115.71791800000109.9C164 G168 R170 S186 D190 C191 N192 G193C164-C188 HydrophobicContact CB-CB 3.73Å; G168-C188 WeakPolarHBondContact O-CB 3.35Å; G168-C188 PolarHBondContact O-N 2.95Å; R170-C188 HydrophobicContact CG-CB 4.11Å; S186-C188 PolarHBondContact O-N 3.5Å; C188-D190 PolarHBondContact O-N 2.93Å; C188-C191 PolarHBondContact O-N 2.97Å; C188-N192 VanDerWaalsContact O-CA 3.25Å; C188-N192 WeakPolarHBondContact O-CA 3.2Å; C188-N192 PolarHBondContact O-N 3.43Å; C188-G193 PolarHBondContact O-N 3.35Å
189T88.6Confident84.9Confident96 Ų9676.6 Ų76.659%0.58943%0.431SS*.THydrogen-bonded Turntrans-58.2-32.1178.551.20000113.5R170 V187 C191 N192R170-T189 PolarHBondContact NH1-OG1 3.3Å; V187-T189 PolarHBondContact O-N 2.94Å; V187-T189 VanDerWaalsContact O-N 3.17Å; T189-C191 VanDerWaalsContact C-N 3.34Å; T189-C191 PolarHBondContact O-N 3.31Å; T189-N192 PolarHBondContact O-OD1 2.63Å
190D86.4Confident85.1Confident83 Ų8380.1 Ų80.144%0.44442%0.424SS..THydrogen-bonded Turntrans-79.9-19-171.1-54.7-10.6000112.7A163 R170 C188A163-D190 HydrophobicContact CB-CB 3.68Å; A163-D190 WeakPolarHBondContact CB-OD2 3.49Å; R170-D190 IonicContact CZ-OD2 3.92Å; R170-D190 IonicContact NH1-OD1 2.67Å; R170-D190 PolarHBondContact NH1-OD1 3.09Å; R170-D190 IonicContact NH1-OD2 2.81Å; R170-D190 PolarHBondContact NH1-OD2 2.84Å; R170-D190 IonicContact NH2-OD2 2.73Å; R170-D190 PolarHBondContact NH2-OD2 2.81Å; C188-D190 PolarHBondContact O-N 2.93Å
191C84.9Confident85.5Confident8 Ų883.4 Ų83.45%0.05444%0.435CS..THydrogen-bonded Turntrans-129.5917566.50000113.2C161 C188 T189 G193 E194 G195 E196 V197C161-C191 HydrophobicContact CB-CB 3.73Å; C161-C191 VanDerWaalsContact SG-CB 3.58Å; C161-C191 VanDerWaalsContact SG-SG 3.62Å; C188-C191 PolarHBondContact O-N 2.97Å; T189-C191 VanDerWaalsContact C-N 3.34Å; T189-C191 PolarHBondContact O-N 3.31Å; C191-G193 PolarHBondContact O-N 2.85Å; C191-E194 WeakPolarHBondContact O-CB 3.5Å; C191-E194 PolarHBondContact O-N 3.34Å; C191-G195 PolarHBondContact SG-N 3.14Å; C191-E196 WeakPolarHBondContact CB-O 3.44Å; C191-V197 HydrophobicContact CB-CG2 3.88Å
192N84.5Confident85.7Confident134 Ų13481.9 Ų81.972%0.71742%0.424SS*.THydrogen-bonded Turntrans44.637.6-176.3-62.5-43.9000114.9C188 T189C188-N192 VanDerWaalsContact O-CA 3.25Å; C188-N192 WeakPolarHBondContact O-CA 3.2Å; C188-N192 PolarHBondContact O-N 3.43Å; T189-N192 PolarHBondContact O-OD1 2.63Å
193G81.6Confident86.1Confident36 Ų3681.9 Ų81.937%0.37142%0.419SS..THydrogen-bonded Turntrans91.5-14.2-178.800000116.3G168 V187 C188 C191 G195G168-G193 WeakPolarHBondContact CA-O 3.48Å; G168-G193 VanDerWaalsContact O-CA 3.3Å; G168-G193 WeakPolarHBondContact O-CA 3.29Å; V187-G193 VanDerWaalsContact CG1-N 3.34Å; C188-G193 PolarHBondContact O-N 3.35Å; C191-G193 PolarHBondContact O-N 2.85Å; G193-G195 VanDerWaalsContact C-N 3.34Å; G193-G195 PolarHBondContact O-N 3.48Å
194E83.4Confident86.5Confident114 Ų11476.4 Ų76.453%0.53340%0.395SS..SBendtrans-74.7-21.1-174-62.7-165.8172.300114C191 E196C191-E194 WeakPolarHBondContact O-CB 3.5Å; C191-E194 PolarHBondContact O-N 3.34Å; E194-E196 PolarHBondContact O-N 3.2Å; E194-E196 VanDerWaalsContact O-N 3.15Å
195G83.9Confident86.9Confident4 Ų481.4 Ų81.44%0.04141%0.414CS..SBendtrans74.6-7.4-175.700000114.2C161 G166 C191 G193C161-G195 WeakPolarHBondContact CB-O 3.12Å; C161-G195 PolarHBondContact N-O 3.08Å; G166-G195 WeakPolarHBondContact CA-O 3.41Å; C191-G195 PolarHBondContact SG-N 3.14Å; G193-G195 VanDerWaalsContact C-N 3.34Å; G193-G195 PolarHBondContact O-N 3.48Å
196E87.3Confident87.1Confident72 Ų7280.5 Ų80.534%0.33641%0.408SS..EExtended strand (participates in β ladder)trans-121.9152.6177.3-64.1177.5158.700110.1V158 Q159 C191 E194 K211V158-E196 HydrophobicContact CG1-CB 3.79Å; V158-E196 HydrophobicContact CG1-CG 3.9Å; V158-E196 VanDerWaalsContact CG1-OE2 3.23Å; V158-E196 WeakPolarHBondContact CG1-OE2 3.43Å; Q159-E196 CarbonylContact O-C 3.52Å; Q159-E196 VanDerWaalsContact O-CA 3.3Å; Q159-E196 WeakPolarHBondContact O-CA 3.28Å; C191-E196 WeakPolarHBondContact CB-O 3.44Å; E194-E196 PolarHBondContact O-N 3.2Å; E194-E196 VanDerWaalsContact O-N 3.15Å; E196-K211 IonicContact OE2-NZ 2.65Å; E196-K211 PolarHBondContact OE2-NZ 2.88Å
197V87.2Confident87.1Confident52 Ų5279.2 Ų79.232%0.31540%0.399SS..EExtended strand (participates in β ladder)trans-130.2136.4176.6-176.30000108.1Q159 C161 C191Q159-V197 PolarHBondContact N-O 3.23Å; Q159-V197 PolarHBondContact O-N 2.79Å; C161-V197 HydrophobicContact CB-CG2 3.81Å; C191-V197 HydrophobicContact CB-CG2 3.88Å
198I87.6Confident87Confident12 Ų1281 Ų816%0.06240%0.402CS..EExtended strand (participates in β ladder)trans-121.6124.4176.2-52.2175.8000107.5A157 V158 R203A157-I198 HydrophobicContact CB-CG2 4.26Å; V158-I198 HydrophobicContact CG2-CD1 3.99Å; V158-I198 HydrophobicContact CG2-CG1 4.15Å; I198-R203 HydrophobicContact CB-CG 4.18Å; I198-R203 HydrophobicContact CG2-CG 3.83Å; I198-R203 PolarHBondContact O-NE 3.1Å
199N86.5Confident86.8Confident105 Ų10581.5 Ų81.556%0.56141%0.406SS*.  trans-56.6138.3173.7-72.9-29.7000110.1K201 D202 R203N199-K201 PolarHBondContact O-N 3.39Å; N199-K201 VanDerWaalsContact O-N 3.14Å; N199-D202 PolarHBondContact O-N 3.14Å; N199-R203 PolarHBondContact O-N 3.39Å
200E84.5Confident86.7Confident161 Ų16183.5 Ų83.575%0.75241%0.407SS*.G310 helixtrans-55.4-38.2-173.6-167.9172.3-165.200113.3D202 R203E200-D202 PolarHBondContact O-N 3.33Å; E200-R203 PolarHBondContact O-N 3.22Å
201K85.4Confident86.8Confident194 Ų19481.2 Ų81.284%0.84339%0.393SS*.G310 helixtrans-66.2-22.5177.9-62-179.4-178.7178.20114N199N199-K201 PolarHBondContact O-N 3.39Å; N199-K201 VanDerWaalsContact O-N 3.14Å
202D87.2Confident87.2Confident46 Ų4682.4 Ų82.425%0.24640%0.4CS..G310 helixtrans-109.21.7-175.6-61.8-50.2000113.2G153 K154 A157 N199 E200G153-D202 CarbonylContact C-O 3.5Å; G153-D202 WeakPolarHBondContact CA-O 3.13Å; K154-D202 PolarHBondContact N-O 2.9Å; K154-D202 IonicContact NZ-OD1 2.79Å; K154-D202 PolarHBondContact NZ-OD1 3.3Å; A157-D202 HydrophobicContact CB-CB 3.54Å; N199-D202 PolarHBondContact O-N 3.14Å; E200-D202 PolarHBondContact O-N 3.33Å
203R89.7Confident87.6Confident116 Ų11677.2 Ų77.244%0.43837%0.373SS..BIsolated β-bridgetrans-62.2141.7170.1-69.3-179.5-175.4-177.6-0.8110I198 N199 E200 K205I198-R203 HydrophobicContact CB-CG 4.18Å; I198-R203 HydrophobicContact CG2-CG 3.83Å; I198-R203 PolarHBondContact O-NE 3.1Å; N199-R203 PolarHBondContact O-N 3.39Å; E200-R203 PolarHBondContact O-N 3.22Å; R203-K205 PolarHBondContact O-N 2.83Å
204C90.4Very high88.2Confident16 Ų1683.8 Ų83.811%0.10839%0.391CS..  trans-62.8127.7174.1178.50000109.2C148 G152 K206 C207 E208C148-C204 HydrophobicContact CB-CB 4.02Å; G152-C204 WeakPolarHBondContact O-CB 3.41Å; G152-C204 PolarHBondContact O-N 3.36Å; C204-K206 PolarHBondContact O-N 2.68Å; C204-C207 VanDerWaalsContact CB-SG 3.56Å; C204-E208 WeakPolarHBondContact O-CA 3.33Å; C204-E208 PolarHBondContact O-N 2.75Å
205K90.4Very high88.6Confident206 Ų20683.1 Ų83.190%0.89639%0.389SS*.THydrogen-bonded Turntrans-64.5-25.1-179.5-62.5-176.4179.3-176.60113.7R203R203-K205 PolarHBondContact O-N 2.83Å
206K90.2Very high89.1Confident112 Ų11286.9 Ų86.949%0.48741%0.411SS..THydrogen-bonded Turntrans-84.6-38.3-175.7-168.6-178174.9178.60113.3S146 S147 C204 V213S146-K206 PolarHBondContact OG-NZ 3.05Å; S147-K206 VanDerWaalsContact OG-CD 3.29Å; S147-K206 WeakPolarHBondContact OG-CD 3.11Å; C204-K206 PolarHBondContact O-N 2.68Å; K206-V213 HydrophobicContact CD-CG1 4.43Å; K206-V213 HydrophobicContact CG-CG1 4.1Å
207C89Confident89.3Confident6 Ų686.9 Ų86.94%0.04141%0.409CS..THydrogen-bonded Turntrans-110.9-1.3179.6710000113.6C145 C204 G209 K210 K211 V212 V213C145-C207 HydrophobicContact CB-CB 3.85Å; C204-C207 VanDerWaalsContact CB-SG 3.56Å; C207-G209 PolarHBondContact O-N 3.46Å; C207-G209 VanDerWaalsContact O-N 3.11Å; C207-K210 WeakPolarHBondContact O-CB 3.44Å; C207-K210 WeakPolarHBondContact O-CG 3.17Å; C207-K210 PolarHBondContact O-N 3.18Å; C207-K211 PolarHBondContact SG-N 3Å; C207-V212 WeakPolarHBondContact CB-O 3Å; C207-V213 HydrophobicContact CB-CG1 3.86Å
208E88.7Confident89.6Confident128 Ų12889.4 Ų89.460%0.59842%0.42SS*.THydrogen-bonded Turntrans54.232.7177.6-56.6176.6159.400114.1C204C204-E208 WeakPolarHBondContact O-CA 3.33Å; C204-E208 PolarHBondContact O-N 2.75Å
209G84.8Confident89.9Confident10 Ų1089.4 Ų89.410%0.10342%0.42CS..THydrogen-bonded Turntrans95.1-17.4-174.600000115.4G152 C207 K211G152-G209 VanDerWaalsContact O-CA 3.29Å; G152-G209 WeakPolarHBondContact O-CA 3.35Å; C207-G209 PolarHBondContact O-N 3.46Å; C207-G209 VanDerWaalsContact O-N 3.11Å; G209-K211 PolarHBondContact O-N 2.9Å; G209-K211 VanDerWaalsContact O-N 3.1Å
210K86.4Confident90.3Very high138 Ų13889.2 Ų89.260%0.642%0.416SS*.SBendtrans-72.5-3.2-172.8-59.8173.8-176.8164.30115.6C207 V212C207-K210 WeakPolarHBondContact O-CB 3.44Å; C207-K210 WeakPolarHBondContact O-CG 3.17Å; C207-K210 PolarHBondContact O-N 3.18Å; K210-V212 PolarHBondContact O-N 3.01Å
211K89.4Confident90.8Very high35 Ų3581.6 Ų81.615%0.15238%0.38CS..SBendtrans65.3-23.9179.2-55.9176.3177.8176.70115.9C145 G150 Q151 E196 C207 G209 P243C145-K211 WeakPolarHBondContact CB-O 3.44Å; C145-K211 PolarHBondContact N-O 2.82Å; G150-K211 WeakPolarHBondContact CA-O 3.16Å; G150-K211 VanDerWaalsContact O-CB 3.31Å; G150-K211 WeakPolarHBondContact O-CB 3.2Å; G150-K211 WeakPolarHBondContact O-CD 3.45Å; G150-K211 VanDerWaalsContact O-CG 3.28Å; G150-K211 WeakPolarHBondContact O-CG 3.24Å; Q151-K211 WeakPolarHBondContact O-CE 3.5Å; E196-K211 IonicContact OE2-NZ 2.65Å; E196-K211 PolarHBondContact OE2-NZ 2.88Å; C207-K211 PolarHBondContact SG-N 3Å; G209-K211 PolarHBondContact O-N 2.9Å; G209-K211 VanDerWaalsContact O-N 3.1Å; K211-P243 HydrophobicContact CB-CG 3.63Å; K211-P243 HydrophobicContact CD-CG 3.91Å; K211-P243 HydrophobicContact CG-CG 4.32Å
212V93.3Very high91.3Very high33 Ų3377.2 Ų77.220%0.236%0.362CS..EExtended strand (participates in β ladder)trans-118159.8178.5-62.30000111.9N142 V143 L144 C207 K210 Q241N142-V212 HydrophobicContact CB-CB 4.27Å; N142-V212 HydrophobicContact CB-CG2 4.29Å; V143-V212 CarbonylContact O-C 3.54Å; V143-V212 WeakPolarHBondContact O-CA 3.42Å; V143-V212 WeakPolarHBondContact O-CB 3.42Å; L144-V212 HydrophobicContact CD2-CG1 4.33Å; C207-V212 WeakPolarHBondContact CB-O 3Å; K210-V212 PolarHBondContact O-N 3.01Å; V212-Q241 WeakPolarHBondContact CG1-O 2.86Å
213V93.9Very high91.7Very high25 Ų2575.1 Ų75.115%0.15235%0.352CS..EExtended strand (participates in β ladder)trans-130.5145.9172.7-63.70000109.6V143 C145 K206 C207 E215V143-V213 HydrophobicContact CG2-CG2 3.61Å; V143-V213 WeakPolarHBondContact CG2-O 3.46Å; V143-V213 PolarHBondContact N-O 3.2Å; V143-V213 PolarHBondContact O-N 2.86Å; C145-V213 HydrophobicContact CB-CG1 3.98Å; K206-V213 HydrophobicContact CD-CG1 4.43Å; K206-V213 HydrophobicContact CG-CG1 4.1Å; C207-V213 HydrophobicContact CB-CG1 3.86Å; V213-E215 PolarHBondContact O-N 2.91Å
214K93.3Very high92Very high174 Ų17473.4 Ų73.476%0.75735%0.351SS*.EExtended strand (participates in β ladder)trans-75.3122.8173-71-174.4178-172.80109.3K141 N142K141-K214 WeakPolarHBondContact O-CA 3.43Å; N142-K214 WeakPolarHBondContact OD1-CG 3.44Å
215E92.8Very high92.3Very high101 Ų10177.3 Ų77.347%0.47237%0.366SS..EExtended strand (participates in β ladder)trans-119.1140.6174.5-174.2176165.300109.5S140 K141 V143 V213S140-E215 WeakPolarHBondContact CA-O 3.2Å; K141-E215 PolarHBondContact N-O 3.41Å; K141-E215 PolarHBondContact O-N 3.09Å; V143-E215 HydrophobicContact CG1-CB 4.08Å; V143-E215 HydrophobicContact CG2-CB 3.8Å; V143-E215 VanDerWaalsContact CG2-OE2 3.31Å; V143-E215 WeakPolarHBondContact CG2-OE2 3.45Å; V213-E215 PolarHBondContact O-N 2.91Å
216V93.3Very high92.5Very high83 Ų8367.5 Ų67.550%0.50332%0.323SS..EExtended strand (participates in β ladder)trans-95.6118.2175.4175.50000108.2Q138 L139Q138-V216 VanDerWaalsContact CD-CG1 3.47Å; Q138-V216 HydrophobicContact CG-CG1 3.25Å; L139-V216 CarbonylContact O-C 3.42Å; L139-V216 WeakPolarHBondContact O-CA 3.43Å
217K91.3Very high92.8Very high72 Ų7262.3 Ų62.331%0.31330%0.301SS..EExtended strand (participates in β ladder)trans-114138.3176.8-172.5167.3-179.4170.40110.3L139 L219 E238L139-K217 PolarHBondContact N-O 3.06Å; L139-K217 PolarHBondContact O-N 3.25Å; K217-L219 HydrophobicContact CD-CD2 4.1Å; K217-L219 HydrophobicContact CG-CD2 4.14Å; K217-E238 WeakPolarHBondContact CD-OE2 3.49Å; K217-E238 WeakPolarHBondContact CE-OE2 3.41Å; K217-E238 IonicContact NZ-OE1 2.67Å; K217-E238 PolarHBondContact NZ-OE1 3.3Å; K217-E238 IonicContact NZ-OE2 3.96Å; K217-E238 PolarHBondContact NZ-OE2 3.13Å
218I93.8Very high93Very high104 Ų10468 Ų6853%0.53332%0.321SS..EExtended strand (participates in β ladder)trans-98.1117.4173.4-57175000107.5K136 L137K136-I218 HydrophobicContact CB-CG2 3.78Å; K136-I218 HydrophobicContact CD-CG2 4.33Å; K136-I218 HydrophobicContact CG-CG2 4.32Å; L137-I218 WeakPolarHBondContact O-CA 3.3Å
219L93.1Very high93.4Very high12 Ų1267.5 Ų67.56%0.06332%0.319CS..EExtended strand (participates in β ladder)trans-98.1132.8172.9-60.6-177000109.4K136 L137 L139 K217 F235 I250K136-L219 CarbonylContact C-O 3.57Å; K136-L219 WeakPolarHBondContact CA-O 3.48Å; L137-L219 PolarHBondContact N-O 3.41Å; L137-L219 PolarHBondContact O-N 2.97Å; L139-L219 HydrophobicContact CD1-CD1 3.74Å; K217-L219 HydrophobicContact CD-CD2 4.1Å; K217-L219 HydrophobicContact CG-CD2 4.14Å; L219-F235 HydrophobicContact CB-CE1 4.42Å; L219-F235 HydrophobicContact CB-CZ 4.39Å; L219-F235 HydrophobicContact CD1-CB 4.42Å; L219-F235 HydrophobicContact CD1-CD1 4.36Å; L219-F235 HydrophobicContact CD1-CD2 3.96Å; L219-F235 HydrophobicContact CD1-CE2 4.31Å; L219-F235 HydrophobicContact CD1-CG 3.99Å; L219-F235 HydrophobicContact CD2-CD1 4.48Å; L219-I250 HydrophobicContact CD1-CD1 3.99Å; L219-I250 HydrophobicContact CD1-CG2 4.22Å
220E94.9Very high93.9Very high102 Ų10268.6 Ų68.648%0.47733%0.331SS..EExtended strand (participates in β ladder)trans-88.9117171.1-170.8166.1-173.400108.7T134 H222T134-E220 HydrophobicContact CG2-CG 3.43Å; T134-E220 VanDerWaalsContact CG2-CG 3.43Å; T134-E220 WeakPolarHBondContact CG2-OE1 3.16Å; E220-H222 IonicContact OE1-CE1 2.72Å
221V95.6Very high94.3Very high0 Ų064.1 Ų64.10%031%0.312CS..EExtended strand (participates in β ladder)trans-110.5118.3-175-169.30000108.6L122 T134 T135 L137 I233 F235 L252L122-V221 HydrophobicContact CD2-CB 4.29Å; L122-V221 HydrophobicContact CD2-CG1 3.72Å; T134-V221 CarbonylContact C-O 3.59Å; T134-V221 WeakPolarHBondContact CA-O 3.41Å; T135-V221 PolarHBondContact N-O 3.33Å; T135-V221 PolarHBondContact O-N 2.94Å; L137-V221 HydrophobicContact CB-CG2 4.02Å; V221-I233 HydrophobicContact CG1-CD1 3.6Å; V221-I233 HydrophobicContact CG1-CG2 4.34Å; V221-F235 HydrophobicContact CB-CZ 4.45Å; V221-F235 HydrophobicContact CG2-CE2 4.17Å; V221-F235 HydrophobicContact CG2-CZ 3.96Å; V221-L252 HydrophobicContact CB-CD1 4.16Å; V221-L252 HydrophobicContact CG1-CD1 3.73Å; V221-L252 HydrophobicContact CG2-CD1 3.3Å
222H95.3Very high94.6Very high102 Ų10269.2 Ų69.247%0.47233%0.334SS..EExtended strand (participates in β ladder)trans-92116.8173.7-60.4-67.6000109.7T134 E220 I233T134-H222 VanDerWaalsContact CG2-CE1 3.44Å; T134-H222 WeakPolarHBondContact CG2-CE1 3.39Å; T134-H222 WeakPolarHBondContact CG2-ND1 3.46Å; T134-H222 PolarHBondContact OG1-ND1 3.29Å; E220-H222 IonicContact OE1-CE1 2.72Å; H222-I233 WeakPolarHBondContact O-CD1 3.32Å
223V96.4Very high94.7Very high3 Ų369 Ų692%0.01833%0.332CS..EExtended strand (participates in β ladder)trans-98106.5171.1-176.50000106.9L122 V124 L129 G132 K133 M227 L254L122-V223 HydrophobicContact CD2-CG2 4.2Å; V124-V223 HydrophobicContact CG1-CG1 4.43Å; V124-V223 HydrophobicContact CG1-CG2 4.08Å; L129-V223 HydrophobicContact CD2-CG1 3.78Å; G132-V223 CarbonylContact C-O 3.26Å; G132-V223 WeakPolarHBondContact CA-O 3.47Å; K133-V223 PolarHBondContact N-O 2.68Å; K133-V223 WeakPolarHBondContact O-CB 3.25Å; K133-V223 PolarHBondContact O-N 3.34Å; V223-M227 HydrophobicContact CG1-SD 4.24Å; V223-L254 HydrophobicContact CG1-CD1 4.3Å; V223-L254 HydrophobicContact CG2-CD2 4.26Å
224D95.8Very high94.8Very high79 Ų7971.5 Ų71.542%0.42235%0.347SS..  trans-75.4155.6179.8-66.5-33.1000111.7G226 M227 Y322D224-G226 PolarHBondContact O-N 3.06Å; D224-M227 HydrophobicContact CB-CG 3.89Å; D224-M227 HydrophobicContact CB-SD 3.94Å; D224-M227 PolarHBondContact N-SD 3.24Å; D224-M227 WeakPolarHBondContact O-CB 3.44Å; D224-M227 VanDerWaalsContact O-CG 3.27Å; D224-M227 WeakPolarHBondContact O-CG 3.35Å; D224-M227 PolarHBondContact O-N 3.41Å; D224-Y322 HydrophobicContact CB-CD2 4.18Å; D224-Y322 HydrophobicContact CB-CE2 3.72Å
225K96.1Very high94.9Very high98 Ų9865.3 Ų65.343%0.42632%0.32SS..THydrogen-bonded Turntrans-57.9133.4173.8-63-178.9176.51780110.8L129 Y130 N131 M227 P320 P325L129-K225 WeakPolarHBondContact O-CA 3.37Å; Y130-K225 WeakPolarHBondContact O-CG 3.48Å; N131-K225 WeakPolarHBondContact O-CE 3.37Å; K225-M227 VanDerWaalsContact C-N 3.26Å; K225-M227 PolarHBondContact O-N 2.99Å; K225-P320 HydrophobicContact CB-CB 4.49Å; K225-P320 HydrophobicContact CB-CG 4.11Å; K225-P325 HydrophobicContact CB-CB 4.13Å; K225-P325 HydrophobicContact CB-CG 4.3Å; K225-P325 HydrophobicContact CD-CB 4.12Å
226G94.8Very high94.9Very high0 Ų063.1 Ų63.10%033%0.325CS..THydrogen-bonded Turntrans80.60.3174.900000114.9L129 D224 R264 P320L129-G226 PolarHBondContact O-N 2.98Å; D224-G226 PolarHBondContact O-N 3.06Å; G226-R264 PolarHBondContact O-NH2 3.25Å; G226-R264 VanDerWaalsContact O-NH2 3.14Å; G226-P320 WeakPolarHBondContact CA-O 3.13Å
227M96.1Very high94.8Very high4 Ų460.6 Ų60.62%0.0232%0.315CS..  trans-53.6149.4172.4-73.8-173.588.900111.2L129 V223 D224 K225 Q231 I233 L254 R264 Y322L129-M227 HydrophobicContact CD2-CB 4.03Å; V223-M227 HydrophobicContact CG1-SD 4.24Å; D224-M227 HydrophobicContact CB-CG 3.89Å; D224-M227 HydrophobicContact CB-SD 3.94Å; D224-M227 PolarHBondContact N-SD 3.24Å; D224-M227 WeakPolarHBondContact O-CB 3.44Å; D224-M227 VanDerWaalsContact O-CG 3.27Å; D224-M227 WeakPolarHBondContact O-CG 3.35Å; D224-M227 PolarHBondContact O-N 3.41Å; K225-M227 VanDerWaalsContact C-N 3.26Å; K225-M227 PolarHBondContact O-N 2.99Å; M227-Q231 VanDerWaalsContact CA-OE1 3.27Å; M227-Q231 HydrophobicContact CE-CB 4.34Å; M227-Q231 VanDerWaalsContact CE-CD 3.42Å; M227-Q231 HydrophobicContact CE-CG 3.71Å; M227-I233 HydrophobicContact CE-CD1 3.95Å; M227-I233 HydrophobicContact CE-CG1 3.76Å; M227-I233 HydrophobicContact SD-CD1 4.41Å; M227-L254 HydrophobicContact CB-CD1 3.72Å; M227-L254 HydrophobicContact CE-CD1 3.61Å; M227-L254 HydrophobicContact CG-CD1 4.35Å; M227-L254 HydrophobicContact SD-CD1 3.8Å; M227-R264 PolarHBondContact O-NH1 3.29Å; M227-R264 PolarHBondContact O-NH2 2.95Å; M227-Y322 HydrophobicContact CG-CD2 3.62Å; M227-Y322 HydrophobicContact CG-CE2 3.6Å; M227-Y322 HydrophobicContact SD-CE2 4.44Å
228R95.1Very high94.9Very high124 Ų12459.2 Ų59.247%0.46831%0.31SS..  trans-106.4155.5-171.4-63.7-178.4176.4-153.4-6.3111.9G230 Q231 N267R228-G230 PolarHBondContact O-N 3.06Å; R228-Q231 WeakPolarHBondContact O-CB 3.24Å; R228-Q231 PolarHBondContact O-N 3.11Å; R228-Q231 VanDerWaalsContact O-N 3.1Å; R228-N267 PolarHBondContact NH2-OD1 3.34Å
229H95.4Very high94.8Very high118 Ų11854.3 Ų54.355%0.54628%0.284SS..THydrogen-bonded Turntrans-51.1135.7165.3-177.495.7000110.5Q231 E256H229-Q231 VanDerWaalsContact C-N 3.25Å; H229-Q231 PolarHBondContact O-N 2.93Å; H229-E256 HydrophobicContact CB-CB 3.95Å; H229-E256 PolarHBondContact ND1-N 2.6Å
230G95.2Very high94.8Very high34 Ų3456.4 Ų56.435%0.35130%0.296SS..THydrogen-bonded Turntrans79.7-5.2-179.100000115.2R228 L254R228-G230 PolarHBondContact O-N 3.06Å; G230-L254 WeakPolarHBondContact CA-O 3.42Å; G230-L254 PolarHBondContact N-O 3.47Å
231Q95.7Very high94.6Very high44 Ų4454.1 Ų54.121%0.20629%0.285CS..  trans-65.9141.6177.3-170.6169.2-8.500111M227 R228 H229 L254 Y322M227-Q231 VanDerWaalsContact CA-OE1 3.27Å; M227-Q231 HydrophobicContact CE-CB 4.34Å; M227-Q231 VanDerWaalsContact CE-CD 3.42Å; M227-Q231 HydrophobicContact CE-CG 3.71Å; R228-Q231 WeakPolarHBondContact O-CB 3.24Å; R228-Q231 PolarHBondContact O-N 3.11Å; R228-Q231 VanDerWaalsContact O-N 3.1Å; H229-Q231 VanDerWaalsContact C-N 3.25Å; H229-Q231 PolarHBondContact O-N 2.93Å; Q231-L254 HydrophobicContact CB-CD1 4.38Å; Q231-L254 PolarHBondContact O-N 3.11Å; Q231-Y322 VanDerWaalsContact NE2-CZ 3.3Å
232K96.2Very high94.4Very high142 Ų14256 Ų5662%0.61730%0.301SS*.EExtended strand (participates in β ladder)trans-102.6136.4-173.2-64.3179.2178.7-177.20111.7V251 L252 V253K232-V251 HydrophobicContact CB-CG1 3.99Å; K232-V251 HydrophobicContact CD-CG1 3.87Å; K232-V251 HydrophobicContact CG-CG1 3.98Å; K232-L252 CarbonylContact C-O 3.57Å; K232-L252 VanDerWaalsContact CA-O 3.28Å; K232-L252 WeakPolarHBondContact CA-O 3.16Å; K232-V253 HydrophobicContact CG-CG2 4.25Å
233I95.2Very high93.9Very high29 Ų2953.9 Ų53.915%0.14930%0.296CS..EExtended strand (participates in β ladder)trans-117.4118.7169.5-57.5170.6000107.3V221 H222 M227 F235 L252 L254V221-I233 HydrophobicContact CG1-CD1 3.6Å; V221-I233 HydrophobicContact CG1-CG2 4.34Å; H222-I233 WeakPolarHBondContact O-CD1 3.32Å; M227-I233 HydrophobicContact CE-CD1 3.95Å; M227-I233 HydrophobicContact CE-CG1 3.76Å; M227-I233 HydrophobicContact SD-CD1 4.41Å; I233-F235 HydrophobicContact CG2-CE2 3.87Å; I233-F235 HydrophobicContact CG2-CZ 4.2Å; I233-L252 HydrophobicContact CB-CB 4.31Å; I233-L252 PolarHBondContact N-O 2.95Å; I233-L252 PolarHBondContact O-N 3.33Å; I233-L254 HydrophobicContact CD1-CD2 4.04Å; I233-L254 HydrophobicContact CD1-CG 4.45Å
234T95.3Very high93.3Very high77 Ų7757.3 Ų57.347%0.47233%0.332SS..EExtended strand (participates in β ladder)trans-109.2131.3-172.5-54.90000111.5D249 I250 V251T234-D249 HydrophobicContact CG2-CB 3.67Å; T234-I250 CarbonylContact C-O 3.6Å; T234-I250 WeakPolarHBondContact CA-O 3.4Å; T234-V251 HydrophobicContact CG2-CG2 4.23Å
235F94.8Very high93Very high44 Ų4455.6 Ų55.619%0.19332%0.324CS..EExtended strand (participates in β ladder)trans-109.4106.5170.5-62.2-92.6000109.1L219 V221 I233 E238 D249 I250 L252L219-F235 HydrophobicContact CB-CE1 4.42Å; L219-F235 HydrophobicContact CB-CZ 4.39Å; L219-F235 HydrophobicContact CD1-CB 4.42Å; L219-F235 HydrophobicContact CD1-CD1 4.36Å; L219-F235 HydrophobicContact CD1-CD2 3.96Å; L219-F235 HydrophobicContact CD1-CE2 4.31Å; L219-F235 HydrophobicContact CD1-CG 3.99Å; L219-F235 HydrophobicContact CD2-CD1 4.48Å; V221-F235 HydrophobicContact CB-CZ 4.45Å; V221-F235 HydrophobicContact CG2-CE2 4.17Å; V221-F235 HydrophobicContact CG2-CZ 3.96Å; I233-F235 HydrophobicContact CG2-CE2 3.87Å; I233-F235 HydrophobicContact CG2-CZ 4.2Å; F235-E238 HydrophobicContact CB-CB 4.02Å; F235-E238 HydrophobicContact CB-CG 3.9Å; F235-D249 WeakPolarHBondContact O-CA 3.39Å; F235-I250 HydrophobicContact CB-CB 4.3Å; F235-I250 PolarHBondContact N-O 3.29Å; F235-I250 PolarHBondContact O-N 3.04Å; F235-L252 HydrophobicContact CD2-CD1 4.38Å; F235-L252 HydrophobicContact CD2-CG 4.33Å; F235-L252 HydrophobicContact CE2-CD1 3.62Å; F235-L252 HydrophobicContact CE2-CG 4Å
236G93.6Very high92.7Very high55 Ų5554.8 Ų54.857%0.56732%0.322SS*.THydrogen-bonded Turntrans-68.4133.3-172.500000113.5E238 D249G236-E238 PolarHBondContact O-N 3.43Å; G236-D249 VanDerWaalsContact CA-OD1 3.28Å; G236-D249 WeakPolarHBondContact CA-OD1 3.46Å
237G91.4Very high92.5Very high29 Ų2956.6 Ų56.630%0.29933%0.334SS..THydrogen-bonded Turntrans66.313.8176.400000114.7P247 G248 D249G237-P247 WeakPolarHBondContact O-CG 3.36Å; G237-G248 CarbonylContact C-O 3.55Å; G237-G248 VanDerWaalsContact C-O 3.26Å; G237-G248 WeakPolarHBondContact CA-O 3.47Å; G237-G248 PolarHBondContact N-O 3.09Å; G237-D249 PolarHBondContact N-OD1 3.08Å
238E92.3Very high92.4Very high44 Ų4456.4 Ų56.421%0.20633%0.333CS..  trans-92.8-5.7-176.3-71.8-65.1170.300113.9K141 K217 F235 G236 G248 I250K141-E238 WeakPolarHBondContact CD-O 3.29Å; K141-E238 PolarHBondContact NZ-O 3.1Å; K141-E238 IonicContact NZ-OE2 3.93Å; K141-E238 PolarHBondContact NZ-OE2 2.78Å; K217-E238 WeakPolarHBondContact CD-OE2 3.49Å; K217-E238 WeakPolarHBondContact CE-OE2 3.41Å; K217-E238 IonicContact NZ-OE1 2.67Å; K217-E238 PolarHBondContact NZ-OE1 3.3Å; K217-E238 IonicContact NZ-OE2 3.96Å; K217-E238 PolarHBondContact NZ-OE2 3.13Å; F235-E238 HydrophobicContact CB-CB 4.02Å; F235-E238 HydrophobicContact CB-CG 3.9Å; G236-E238 PolarHBondContact O-N 3.43Å; E238-G248 PolarHBondContact N-O 3.41Å; E238-I250 HydrophobicContact CB-CB 4.36Å; E238-I250 HydrophobicContact CB-CD1 3.8Å; E238-I250 HydrophobicContact CB-CG1 3.98Å; E238-I250 WeakPolarHBondContact O-CD1 3.22Å
239A92.4Very high92.4Very high0 Ų051.9 Ų51.90%032%0.318CS..SBendtrans-71.2-173.1178.800000113M118 Q241 G248 I250M118-A239 HydrophobicContact CB-CB 4.44Å; M118-A239 HydrophobicContact CG-CB 4.02Å; M118-A239 HydrophobicContact SD-CB 4.15Å; A239-Q241 PolarHBondContact O-N 3.08Å; A239-G248 WeakPolarHBondContact CB-O 3.33Å; A239-G248 PolarHBondContact N-O 3.48Å; A239-I250 HydrophobicContact CB-CG1 4.45Å
240D92.8Very high92.4Very high57 Ų5746.4 Ų46.431%0.30529%0.292SS..  trans-57.8133178-83.2-4.2000112.2M118 K141 N142M118-D240 HydrophobicContact SD-CB 4.37Å; K141-D240 WeakPolarHBondContact CA-OD1 3.26Å; K141-D240 WeakPolarHBondContact CB-OD1 3.41Å; N142-D240 HydrophobicContact CB-CB 4.23Å; N142-D240 PolarHBondContact N-OD1 2.81Å; N142-D240 PolarHBondContact ND2-OD2 2.73Å
241Q91.8Very high92.4Very high54 Ų5445.4 Ų45.425%0.25228%0.28SS..  trans-93.2142.3174.6-59.8178.78.400110.4N142 L144 V212 A239 P247N142-Q241 PolarHBondContact O-N 2.89Å; L144-Q241 HydrophobicContact CG-CB 4.18Å; V212-Q241 WeakPolarHBondContact CG1-O 2.86Å; A239-Q241 PolarHBondContact O-N 3.08Å; Q241-P247 HydrophobicContact CG-CB 4.18Å; Q241-P247 HydrophobicContact CG-CG 4.49Å
242A89.8Confident92.4Very high39 Ų3943.3 Ų43.332%0.32227%0.27SS..BIsolated β-bridgetrans-134.2150.8169.500000110.6G244 V245A242-G244 PolarHBondContact O-N 3.27Å; A242-V245 HydrophobicContact CB-CB 4.03Å; A242-V245 HydrophobicContact CB-CG2 4.08Å; A242-V245 PolarHBondContact O-N 2.82Å; A242-V245 VanDerWaalsContact O-N 3.09Å
243P86.6Confident92.4Very high58 Ų5838 Ų3838%0.37725%0.249SC..THydrogen-bonded Turntrans-57.9125.2179.5-24.534000112.1L144 G150 K211 V245L144-P243 HydrophobicContact CD2-CB 4.41Å; L144-P243 HydrophobicContact CD2-CG 3.91Å; G150-P243 WeakPolarHBondContact O-CG 3.35Å; K211-P243 HydrophobicContact CB-CG 3.63Å; K211-P243 HydrophobicContact CD-CG 3.91Å; K211-P243 HydrophobicContact CG-CG 4.32Å; P243-V245 VanDerWaalsContact C-N 3.25Å; P243-V245 PolarHBondContact O-N 3.24Å
244G83.4Confident92.5Very high75 Ų7536.6 Ų36.677%0.77324%0.242SC*.THydrogen-bonded Turntrans75.310179.800000115A242A242-G244 PolarHBondContact O-N 3.27Å
245V88.2Confident92.6Very high43 Ų4336.6 Ų36.626%0.26124%0.237SC..EExtended strand (participates in β ladder)trans-120.3131.1179.8-178.70000108.8R113 G115 A242 P243R113-V245 HydrophobicContact CB-CG2 4.27Å; R113-V245 CarbonylContact O-C 3.55Å; R113-V245 WeakPolarHBondContact O-CA 3.45Å; R113-V245 WeakPolarHBondContact O-CG1 3.47Å; G115-V245 VanDerWaalsContact N-CG1 3.26Å; A242-V245 HydrophobicContact CB-CB 4.03Å; A242-V245 HydrophobicContact CB-CG2 4.08Å; A242-V245 PolarHBondContact O-N 2.82Å; A242-V245 VanDerWaalsContact O-N 3.09Å; P243-V245 VanDerWaalsContact C-N 3.25Å; P243-V245 PolarHBondContact O-N 3.24Å
246E89.6Confident92.6Very high80 Ų8036.4 Ų36.437%0.37424%0.236SC..EExtended strand (participates in β ladder)trans-73132.1171-76-176.6159.600109.4R112 R113 R114 G115R112-E246 HydrophobicContact CB-CG 3.77Å; R112-E246 VanDerWaalsContact CD-CD 3.42Å; R112-E246 WeakPolarHBondContact CD-OE1 3.47Å; R112-E246 HydrophobicContact CG-CG 4.42Å; R112-E246 IonicContact CZ-OE1 2.96Å; R112-E246 IonicContact NE-OE1 3.74Å; R112-E246 IonicContact NH1-OE1 3.4Å; R112-E246 PolarHBondContact NH1-OE1 3.45Å; R113-E246 PolarHBondContact O-N 2.74Å; R114-E246 CarbonylContact C-O 3.58Å; R114-E246 WeakPolarHBondContact CA-O 3.44Å; G115-E246 PolarHBondContact N-O 3.26Å
247P92.1Very high92.8Very high39 Ų3938.8 Ų38.825%0.25323%0.231SC..  trans-62.1145.8-177.725-32.9000112.2G237 Q241G237-P247 WeakPolarHBondContact O-CG 3.36Å; Q241-P247 HydrophobicContact CG-CB 4.18Å; Q241-P247 HydrophobicContact CG-CG 4.49Å
248G93.8Very high93Very high0 Ų045.5 Ų45.50%026%0.26CS..  trans-73.7-169.9167.500000112.1G115 D117 G237 E238 A239G115-G248 WeakPolarHBondContact O-CA 3.17Å; D117-G248 WeakPolarHBondContact OD1-CA 3.33Å; G237-G248 CarbonylContact C-O 3.55Å; G237-G248 VanDerWaalsContact C-O 3.26Å; G237-G248 WeakPolarHBondContact CA-O 3.47Å; G237-G248 PolarHBondContact N-O 3.09Å; E238-G248 PolarHBondContact N-O 3.41Å; A239-G248 WeakPolarHBondContact CB-O 3.33Å; A239-G248 PolarHBondContact N-O 3.48Å
249D95.1Very high93.1Very high28 Ų2846 Ų4615%0.1526%0.262CS..  trans-103.5152.4-179.1-57.3-20000112R114 D117 M118 T234 F235 G236 G237R114-D249 IonicContact CZ-OD2 3.57Å; R114-D249 IonicContact NH2-OD1 3.83Å; R114-D249 PolarHBondContact NH2-OD1 2.93Å; R114-D249 IonicContact NH2-OD2 2.64Å; R114-D249 PolarHBondContact NH2-OD2 2.95Å; D117-D249 CarbonylContact C-O 3.43Å; D117-D249 VanDerWaalsContact CA-O 3.24Å; D117-D249 WeakPolarHBondContact CA-O 3.41Å; D117-D249 WeakPolarHBondContact CB-O 3.5Å; D117-D249 PolarHBondContact OD1-N 2.85Å; M118-D249 PolarHBondContact N-O 2.76Å; T234-D249 HydrophobicContact CG2-CB 3.67Å; F235-D249 WeakPolarHBondContact O-CA 3.39Å; G236-D249 VanDerWaalsContact CA-OD1 3.28Å; G236-D249 WeakPolarHBondContact CA-OD1 3.46Å; G237-D249 PolarHBondContact N-OD1 3.08Å
250I94.4Very high93.2Very high3 Ų355.6 Ų55.62%0.01531%0.307CS..EExtended strand (participates in β ladder)trans-90.9118.8164.9-66.6176.9000107.8M118 L139 L219 T234 F235 E238 A239 L252M118-I250 HydrophobicContact CB-CG1 4.25Å; M118-I250 CarbonylContact O-C 3.56Å; M118-I250 WeakPolarHBondContact O-CA 3.31Å; L139-I250 HydrophobicContact CD1-CD1 3.83Å; L139-I250 HydrophobicContact CD1-CG2 3.74Å; L219-I250 HydrophobicContact CD1-CD1 3.99Å; L219-I250 HydrophobicContact CD1-CG2 4.22Å; T234-I250 CarbonylContact C-O 3.6Å; T234-I250 WeakPolarHBondContact CA-O 3.4Å; F235-I250 HydrophobicContact CB-CB 4.3Å; F235-I250 PolarHBondContact N-O 3.29Å; F235-I250 PolarHBondContact O-N 3.04Å; E238-I250 HydrophobicContact CB-CB 4.36Å; E238-I250 HydrophobicContact CB-CD1 3.8Å; E238-I250 HydrophobicContact CB-CG1 3.98Å; E238-I250 WeakPolarHBondContact O-CD1 3.22Å; A239-I250 HydrophobicContact CB-CG1 4.45Å; I250-L252 HydrophobicContact CG2-CD2 3.78Å; I250-L252 HydrophobicContact CG2-CG 4.4Å
251V95.7Very high93.2Very high14 Ų1455.9 Ų55.99%0.08531%0.311CS..EExtended strand (participates in β ladder)trans-108.9107.7179.1-176.20000108.8D117 M118 V119 H120 K232 T234D117-V251 HydrophobicContact CB-CG2 4.48Å; M118-V251 PolarHBondContact O-N 3.13Å; V119-V251 CarbonylContact C-O 3.51Å; V119-V251 VanDerWaalsContact CA-O 3.3Å; V119-V251 WeakPolarHBondContact CA-O 3.44Å; V119-V251 HydrophobicContact CG2-CB 4.42Å; H120-V251 PolarHBondContact N-O 3.09Å; K232-V251 HydrophobicContact CB-CG1 3.99Å; K232-V251 HydrophobicContact CD-CG1 3.87Å; K232-V251 HydrophobicContact CG-CG1 3.98Å; T234-V251 HydrophobicContact CG2-CG2 4.23Å
252L96Very high93.5Very high0 Ų053.7 Ų53.70%030%0.301CS..EExtended strand (participates in β ladder)trans-85.5125.6172.6-52.9-172.9000109.6H120 L122 L137 L139 V221 K232 I233 F235 I250H120-L252 HydrophobicContact CB-CD2 3.66Å; H120-L252 CarbonylContact O-C 3.6Å; H120-L252 VanDerWaalsContact O-CA 3.26Å; H120-L252 WeakPolarHBondContact O-CA 3.39Å; L122-L252 HydrophobicContact CD2-CD1 4.48Å; L137-L252 HydrophobicContact CD2-CD1 3.76Å; L137-L252 HydrophobicContact CD2-CD2 3.54Å; L137-L252 HydrophobicContact CD2-CG 4.33Å; L139-L252 HydrophobicContact CD1-CD2 4.48Å; V221-L252 HydrophobicContact CB-CD1 4.16Å; V221-L252 HydrophobicContact CG1-CD1 3.73Å; V221-L252 HydrophobicContact CG2-CD1 3.3Å; K232-L252 CarbonylContact C-O 3.57Å; K232-L252 VanDerWaalsContact CA-O 3.28Å; K232-L252 WeakPolarHBondContact CA-O 3.16Å; I233-L252 HydrophobicContact CB-CB 4.31Å; I233-L252 PolarHBondContact N-O 2.95Å; I233-L252 PolarHBondContact O-N 3.33Å; F235-L252 HydrophobicContact CD2-CD1 4.38Å; F235-L252 HydrophobicContact CD2-CG 4.33Å; F235-L252 HydrophobicContact CE2-CD1 3.62Å; F235-L252 HydrophobicContact CE2-CG 4Å; I250-L252 HydrophobicContact CG2-CD2 3.78Å; I250-L252 HydrophobicContact CG2-CG 4.4Å
253V96.9Very high93.8Very high30 Ų3060.7 Ų60.718%0.18232%0.319CS..EExtended strand (participates in β ladder)trans-103.9119.1175.8-177.20000108.1V119 H120 P121 L122 K232 Q255V119-V253 HydrophobicContact CG1-CG2 3.61Å; H120-V253 PolarHBondContact O-N 3.32Å; P121-V253 WeakPolarHBondContact CA-O 3.04Å; L122-V253 PolarHBondContact N-O 3.46Å; K232-V253 HydrophobicContact CG-CG2 4.25Å; V253-Q255 PolarHBondContact O-N 2.87Å
254L97Very high94.3Very high0 Ų059.3 Ų59.30%031%0.306CS..EExtended strand (participates in β ladder)trans-66.9127.1177.7-64.5-173.2000110.6L122 V124 L129 V223 M227 G230 Q231 I233L122-L254 HydrophobicContact CB-CD2 4.21Å; L122-L254 HydrophobicContact CD2-CD2 3.85Å; L122-L254 HydrophobicContact CG-CD2 4.3Å; V124-L254 HydrophobicContact CG1-CD2 4.05Å; V124-L254 HydrophobicContact CG2-CB 4.33Å; V124-L254 HydrophobicContact CG2-CD2 4.5Å; L129-L254 HydrophobicContact CD2-CD1 4.35Å; V223-L254 HydrophobicContact CG1-CD1 4.3Å; V223-L254 HydrophobicContact CG2-CD2 4.26Å; M227-L254 HydrophobicContact CB-CD1 3.72Å; M227-L254 HydrophobicContact CE-CD1 3.61Å; M227-L254 HydrophobicContact CG-CD1 4.35Å; M227-L254 HydrophobicContact SD-CD1 3.8Å; G230-L254 WeakPolarHBondContact CA-O 3.42Å; G230-L254 PolarHBondContact N-O 3.47Å; Q231-L254 HydrophobicContact CB-CD1 4.38Å; Q231-L254 PolarHBondContact O-N 3.11Å; I233-L254 HydrophobicContact CD1-CD2 4.04Å; I233-L254 HydrophobicContact CD1-CG 4.45Å
255Q96.6Very high94.8Very high76 Ų7661.3 Ų61.336%0.35530%0.296SS..EExtended strand (participates in β ladder)trans-115.6103.2172.8-71.6-171.3-15.300109P121 L122 K123 V124 V253 K257P121-Q255 HydrophobicContact CB-CG 4.04Å; L122-Q255 PolarHBondContact O-N 3.27Å; K123-Q255 CarbonylContact C-O 3.57Å; K123-Q255 WeakPolarHBondContact CA-O 3.45Å; V124-Q255 PolarHBondContact N-O 2.95Å; V253-Q255 PolarHBondContact O-N 2.87Å; Q255-K257 PolarHBondContact O-N 2.83Å
256E96.1Very high95.1Very high40 Ų4061.2 Ų61.219%0.18730%0.303CS..EExtended strand (participates in β ladder)trans-60.2128.5171.1-172.1168.5151.500110.1V124 L126 L129 H229 R264V124-E256 WeakPolarHBondContact O-CA 3.49Å; L126-E256 WeakPolarHBondContact CD1-OE1 3.46Å; L126-E256 HydrophobicContact CG-CG 4.5Å; L126-E256 WeakPolarHBondContact CG-OE1 3.46Å; L129-E256 HydrophobicContact CD1-CB 4.13Å; L129-E256 HydrophobicContact CD1-CG 3.84Å; H229-E256 HydrophobicContact CB-CB 3.95Å; H229-E256 PolarHBondContact ND1-N 2.6Å; E256-R264 VanDerWaalsContact OE1-CB 3.25Å; E256-R264 WeakPolarHBondContact OE1-CB 3.3Å; E256-R264 WeakPolarHBondContact OE1-CD 3.22Å; E256-R264 WeakPolarHBondContact OE2-CD 3.29Å; E256-R264 IonicContact OE2-NH1 2.95Å; E256-R264 PolarHBondContact OE2-NH1 3.32Å
257K96.4Very high95.4Very high106 Ų10658.9 Ų58.946%0.46129%0.293SS..PPolyproline II helixtrans-84.6146.2172.5-64.9178.5-177.3178.50109.9K123 V124 Q255K123-K257 VanDerWaalsContact CB-CE 3.47Å; K123-K257 HydrophobicContact CB-CG 4.28Å; V124-K257 PolarHBondContact O-N 2.8Å; Q255-K257 PolarHBondContact O-N 2.83Å
258D95.3Very high95.7Very high169 Ų16959.3 Ų59.390%0.90429%0.293SS*.PPolyproline II helixtrans-59.8139.3169.2-60.1-29.4000110.3
259H95.8Very high95.9Very high55 Ų5559.3 Ų59.326%0.25529%0.293SS..  trans-114.2143.3178.7-178.3-66.1000109.3L126 D127 T261 F262L126-H259 HydrophobicContact CB-CB 4.18Å; L126-H259 HydrophobicContact CD1-CB 3.59Å; D127-H259 IonicContact OD2-CD2 3.78Å; D127-H259 IonicContact OD2-NE2 3.25Å; H259-T261 PolarHBondContact ND1-N 2.92Å; H259-T261 PolarHBondContact O-N 3.21Å; H259-F262 WeakPolarHBondContact CB-O 3.16Å; H259-F262 AromaticContact CE1-CD2 3.52Å; H259-F262 AromaticContact ND1-CD2 3.84Å; H259-F262 PolarHBondContact ND1-N 2.96Å
260E93.1Very high96Very high201 Ų20161.6 Ų61.694%0.93930%0.3SS*.SBendtrans-64.4-42-172.2-61.8179.2173.300112.8
261T93.9Very high96.1Very high64 Ų6462 Ų6239%0.39330%0.302SS..SBendtrans-96.3-35.6-175.5-42.10000114.6H259 M271H259-T261 PolarHBondContact ND1-N 2.92Å; H259-T261 PolarHBondContact O-N 3.21Å; T261-M271 HydrophobicContact CG2-CE 4.06Å; T261-M271 WeakPolarHBondContact O-CB 3.47Å
262F96.8Very high96.2Very high8 Ų865.6 Ų65.64%0.03532%0.324CS..  trans-119.3138.7-166.8-61.9-68.9000110.2H259 L269 Y270 M271 L288 L291 L331H259-F262 WeakPolarHBondContact CB-O 3.16Å; H259-F262 AromaticContact CE1-CD2 3.52Å; H259-F262 AromaticContact ND1-CD2 3.84Å; H259-F262 PolarHBondContact ND1-N 2.96Å; F262-L269 HydrophobicContact CB-CD2 4.4Å; F262-Y270 CarbonylContact C-O 3.54Å; F262-Y270 WeakPolarHBondContact CA-O 3.36Å; F262-M271 HydrophobicContact CD1-CB 4.08Å; F262-M271 HydrophobicContact CD1-SD 4.49Å; F262-M271 HydrophobicContact CE1-CB 4.36Å; F262-M271 HydrophobicContact CE1-CG 4.46Å; F262-M271 HydrophobicContact CE1-SD 3.83Å; F262-L288 HydrophobicContact CE1-CD1 4.41Å; F262-L288 HydrophobicContact CE1-CD2 4.16Å; F262-L288 HydrophobicContact CZ-CD1 3.97Å; F262-L288 HydrophobicContact CZ-CD2 4.14Å; F262-L288 HydrophobicContact CZ-CG 4.2Å; F262-L291 HydrophobicContact CD2-CD2 3.74Å; F262-L291 HydrophobicContact CD2-CG 4.15Å; F262-L291 HydrophobicContact CE2-CD2 4.21Å; F262-L291 HydrophobicContact CE2-CG 4.36Å; F262-L331 HydrophobicContact CD1-CD1 4.03Å; F262-L331 HydrophobicContact CE1-CD1 3.9Å
263R96.8Very high96.2Very high185 Ų18567.8 Ų67.870%0.69833%0.334SS*.EExtended strand (participates in β ladder)trans-116.2128.2168.4178.9176.9175.3173.7-1.9108.4L269 Y270R263-L269 CarbonylContact O-C 3.58Å; R263-Y270 PolarHBondContact N-O 3.19Å; R263-Y270 PolarHBondContact O-N 3.09Å
264R96.6Very high96.1Very high30 Ų3072.3 Ų72.311%0.11335%0.351CS..EExtended strand (participates in β ladder)trans-88.2137.5177.3-172.8-177.1177.8174.55111.3L126 G226 M227 E256 G266 D268 L269 M319L126-R264 HydrophobicContact CD1-CB 4.39Å; L126-R264 HydrophobicContact CD2-CB 4.09Å; G226-R264 PolarHBondContact O-NH2 3.25Å; G226-R264 VanDerWaalsContact O-NH2 3.14Å; M227-R264 PolarHBondContact O-NH1 3.29Å; M227-R264 PolarHBondContact O-NH2 2.95Å; E256-R264 VanDerWaalsContact OE1-CB 3.25Å; E256-R264 WeakPolarHBondContact OE1-CB 3.3Å; E256-R264 WeakPolarHBondContact OE1-CD 3.22Å; E256-R264 WeakPolarHBondContact OE2-CD 3.29Å; E256-R264 IonicContact OE2-NH1 2.95Å; E256-R264 PolarHBondContact OE2-NH1 3.32Å; R264-G266 PolarHBondContact NE-O 2.84Å; R264-G266 PolarHBondContact NH2-O 2.97Å; R264-D268 WeakPolarHBondContact CA-O 3.49Å; R264-L269 HydrophobicContact CB-CD2 4.28Å; R264-M319 HydrophobicContact CG-CG 3.93Å
265E95.7Very high96.1Very high117 Ų11772.4 Ų72.455%0.54735%0.352SS..EExtended strand (participates in β ladder)trans-134.1110164.4-163.9174156.500109N267 D268 Y270E265-N267 PolarHBondContact O-N 3.2Å; E265-N267 VanDerWaalsContact O-N 3.07Å; E265-D268 PolarHBondContact N-O 2.67Å; E265-D268 PolarHBondContact O-N 3.01Å; E265-Y270 HydrophobicContact CB-CD2 4.06Å; E265-Y270 HydrophobicContact CB-CE2 3.62Å
266G94.3Very high96Very high40 Ų4070 Ų7041%0.41235%0.347SS..THydrogen-bonded Turntrans62.1-112.6-173.300000112.3R264R264-G266 PolarHBondContact NE-O 2.84Å; R264-G266 PolarHBondContact NH2-O 2.97Å
267N95.4Very high95.9Very high31 Ų3170.6 Ų70.617%0.16635%0.352CS..THydrogen-bonded Turntrans-104.8-1.2175.2-58.8-27.3000112.2R228 E265 M319 G329R228-N267 PolarHBondContact NH2-OD1 3.34Å; E265-N267 PolarHBondContact O-N 3.2Å; E265-N267 VanDerWaalsContact O-N 3.07Å; N267-M319 WeakPolarHBondContact O-CA 3.42Å; N267-M319 WeakPolarHBondContact O-CB 3.46Å; N267-M319 PolarHBondContact O-N 3.49Å; N267-G329 WeakPolarHBondContact O-CA 3.45Å
268D97.6Very high95.7Very high48 Ų4870.5 Ų70.526%0.25736%0.36SS..EExtended strand (participates in β ladder)trans-99.3152.8-176.2-59.3-35.7000110.7R264 E265 Y270 G329 D330 F332R264-D268 WeakPolarHBondContact CA-O 3.49Å; E265-D268 PolarHBondContact N-O 2.67Å; E265-D268 PolarHBondContact O-N 3.01Å; D268-Y270 HydrophobicContact CB-CE2 3.9Å; D268-G329 VanDerWaalsContact OD1-CA 3.29Å; D268-G329 WeakPolarHBondContact OD1-CA 3.35Å; D268-D330 CarbonylContact C-O 3.14Å; D268-D330 VanDerWaalsContact CA-O 3.3Å; D268-D330 WeakPolarHBondContact CA-O 3.46Å; D268-D330 PolarHBondContact OD1-N 3.46Å; D268-F332 HydrophobicContact CB-CD2 4.06Å; D268-F332 HydrophobicContact CB-CE2 3.83Å
269L97.6Very high95.7Very high0 Ų066.5 Ų66.50%034%0.336CS..EExtended strand (participates in β ladder)trans-112.4142.2177.1-68.2177.4000109.7L126 F262 R263 R264 L291 M319 D330 L331 F332L126-L269 HydrophobicContact CD2-CD2 3.87Å; F262-L269 HydrophobicContact CB-CD2 4.4Å; R263-L269 CarbonylContact O-C 3.58Å; R264-L269 HydrophobicContact CB-CD2 4.28Å; L269-L291 HydrophobicContact CD1-CD1 3.74Å; L269-L291 HydrophobicContact CD2-CD1 4.3Å; L269-M319 HydrophobicContact CD1-SD 4.42Å; L269-M319 HydrophobicContact CD2-CG 3.66Å; L269-M319 HydrophobicContact CD2-SD 3.88Å; L269-M319 HydrophobicContact CG-CG 4.02Å; L269-M319 HydrophobicContact CG-SD 4.42Å; L269-D330 PolarHBondContact N-O 3.49Å; L269-L331 HydrophobicContact CB-CD1 3.68Å; L269-L331 CarbonylContact O-C 3.57Å; L269-L331 WeakPolarHBondContact O-CA 3.09Å; L269-F332 PolarHBondContact O-N 3.31Å
270Y97.9Very high95.6Very high77 Ų7764 Ų6430%0.30232%0.324SS..EExtended strand (participates in β ladder)trans-124.9136178.5-66.6-99.9000109F262 R263 E265 D268 F332F262-Y270 CarbonylContact C-O 3.54Å; F262-Y270 WeakPolarHBondContact CA-O 3.36Å; R263-Y270 PolarHBondContact N-O 3.19Å; R263-Y270 PolarHBondContact O-N 3.09Å; E265-Y270 HydrophobicContact CB-CD2 4.06Å; E265-Y270 HydrophobicContact CB-CE2 3.62Å; D268-Y270 HydrophobicContact CB-CE2 3.9Å; Y270-F332 CarbonylContact C-O 3.39Å; Y270-F332 VanDerWaalsContact CA-O 3.32Å; Y270-F332 WeakPolarHBondContact CA-O 3.41Å; Y270-F332 HydrophobicContact CD1-CB 3.58Å; Y270-F332 HydrophobicContact CD1-CD2 4.37Å; Y270-F332 HydrophobicContact CD1-CG 4.21Å; Y270-F332 HydrophobicContact CE1-CB 3.66Å; Y270-F332 AromaticContact CE1-CD2 3.8Å; Y270-F332 HydrophobicContact CE1-CD2 3.8Å; Y270-F332 AromaticContact CE1-CG 3.78Å; Y270-F332 HydrophobicContact CE1-CG 3.78Å; Y270-F332 HydrophobicContact CE2-CD2 4.1Å; Y270-F332 HydrophobicContact CG-CB 4.25Å; Y270-F332 AromaticContact CZ-CD2 3.65Å
271M97.1Very high95.6Very high12 Ų1257.6 Ų57.66%0.05930%0.296CS..EExtended strand (participates in β ladder)trans-142.5158.1171.767.7171.9-7100111T261 F262 H273 L288 L331 F332 I333 K334T261-M271 HydrophobicContact CG2-CE 4.06Å; T261-M271 WeakPolarHBondContact O-CB 3.47Å; F262-M271 HydrophobicContact CD1-CB 4.08Å; F262-M271 HydrophobicContact CD1-SD 4.49Å; F262-M271 HydrophobicContact CE1-CB 4.36Å; F262-M271 HydrophobicContact CE1-CG 4.46Å; F262-M271 HydrophobicContact CE1-SD 3.83Å; M271-H273 HydrophobicContact CE-CB 4.22Å; M271-L288 HydrophobicContact CE-CD1 3.78Å; M271-L288 HydrophobicContact SD-CD1 3.7Å; M271-L288 HydrophobicContact SD-CD2 3.64Å; M271-L288 HydrophobicContact SD-CG 4.33Å; M271-L331 HydrophobicContact CG-CD1 4.11Å; M271-L331 HydrophobicContact SD-CD1 4.41Å; M271-L331 HydrophobicContact SD-CD2 4.5Å; M271-F332 PolarHBondContact N-O 2.94Å; M271-I333 HydrophobicContact CG-CB 4.27Å; M271-I333 HydrophobicContact CG-CG1 3.89Å; M271-I333 HydrophobicContact CG-CG2 4.09Å; M271-I333 WeakPolarHBondContact O-CA 3.34Å; M271-I333 HydrophobicContact SD-CD1 4.29Å; M271-I333 HydrophobicContact SD-CG1 4.16Å; M271-K334 PolarHBondContact O-N 3.42Å
272T96.8Very high95.5Very high89 Ų8958.2 Ų58.255%0.54630%0.303SS..EExtended strand (participates in β ladder)trans-106128.7170.7-56.40000108.9K334 D336T272-K334 CarbonylContact C-O 3.55Å; T272-K334 VanDerWaalsContact CA-O 3.31Å; T272-K334 WeakPolarHBondContact CA-O 3.27Å; T272-D336 HydrophobicContact CG2-CB 4.19Å
273H96.3Very high95.3Very high45 Ų4558.6 Ų58.621%0.20831%0.309CS..EExtended strand (participates in β ladder)trans-119.1132.3175.3-165.559.8000110.3M271 F286 I333 K334 F335 D336M271-H273 HydrophobicContact CE-CB 4.22Å; H273-F286 HydrophobicContact CB-CZ 4.48Å; H273-F286 AromaticContact CD2-CD1 3.75Å; H273-F286 AromaticContact CD2-CE1 3.51Å; H273-F286 AromaticContact CD2-CZ 3.69Å; H273-F286 AromaticContact CE1-CD2 3.66Å; H273-F286 AromaticContact CE1-CE2 3.81Å; H273-F286 AromaticContact CE1-CG 3.91Å; H273-F286 AromaticContact CG-CZ 3.88Å; H273-F286 AromaticContact ND1-CE2 3.96Å; H273-F286 AromaticContact NE2-CD1 3.46Å; H273-F286 WeakPolarHBondContact NE2-CD1 3.34Å; H273-F286 AromaticContact NE2-CD2 3.65Å; H273-F286 AromaticContact NE2-CE1 3.7Å; H273-F286 AromaticContact NE2-CE2 3.87Å; H273-F286 AromaticContact NE2-CG 3.44Å; H273-F286 WeakPolarHBondContact NE2-CG 3.37Å; H273-F286 AromaticContact NE2-CZ 3.9Å; H273-I333 HydrophobicContact CB-CG2 3.66Å; H273-K334 PolarHBondContact N-O 3.04Å; H273-F335 HydrophobicContact CB-CD1 4.27Å; H273-F335 HydrophobicContact CB-CE1 4.19Å; H273-F335 WeakPolarHBondContact O-CA 3.48Å; H273-D336 PolarHBondContact O-N 2.99Å
274K96Very high95.2Very high125 Ų12550.8 Ų50.854%0.54328%0.28SS..EExtended strand (participates in β ladder)trans-94.3129.9179.2-61.2-174.8175.4-173.70109D336 Q338K274-D336 WeakPolarHBondContact CA-O 3.3Å; K274-D336 HydrophobicContact CG-CB 4.21Å; K274-Q338 HydrophobicContact CB-CG 4.44Å
275I96.1Very high95.2Very high2 Ų255.6 Ų55.61%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-129.8150.9178.260.8172.4000110E279 A280 F284 I306 F335 D336 V337 Q338I275-E279 WeakPolarHBondContact CA-OE2 3.48Å; I275-E279 HydrophobicContact CB-CB 4.19Å; I275-A280 HydrophobicContact CD1-CB 3.77Å; I275-A280 HydrophobicContact CG1-CB 4.39Å; I275-F284 HydrophobicContact CD1-CD1 4.32Å; I275-F284 HydrophobicContact CD1-CE1 3.91Å; I275-I306 HydrophobicContact CD1-CB 4.02Å; I275-I306 HydrophobicContact CD1-CG1 4.47Å; I275-I306 HydrophobicContact CD1-CG2 3.7Å; I275-F335 HydrophobicContact CD1-CB 4.27Å; I275-F335 HydrophobicContact CD1-CD1 3.88Å; I275-F335 HydrophobicContact CD1-CG 4.34Å; I275-F335 HydrophobicContact CG1-CD1 4.26Å; I275-F335 HydrophobicContact CG2-CD1 3.84Å; I275-F335 HydrophobicContact CG2-CE1 4.17Å; I275-D336 PolarHBondContact N-O 3.39Å; I275-V337 HydrophobicContact CD1-CG2 4.22Å; I275-V337 HydrophobicContact CG1-CG2 4.09Å; I275-V337 CarbonylContact O-C 3.49Å; I275-V337 WeakPolarHBondContact O-CA 3.3Å; I275-Q338 PolarHBondContact O-N 2.89Å
276G95.6Very high95.1Very high25 Ų2551.4 Ų51.426%0.25828%0.284SS..EExtended strand (participates in β ladder)trans-74.6160.2173.200000112.5V278 E279 A280G276-V278 VanDerWaalsContact C-N 3.27Å; G276-V278 PolarHBondContact O-N 2.93Å; G276-E279 PolarHBondContact N-OE2 3.1Å; G276-E279 WeakPolarHBondContact O-CB 3.44Å; G276-E279 PolarHBondContact O-N 3.45Å; G276-E279 VanDerWaalsContact O-N 3.11Å; G276-A280 PolarHBondContact O-N 3.28Å
277L92.9Very high95.2Very high53 Ų5355.7 Ų55.728%0.27730%0.295SS..Hα-helixtrans-56-40.6175.7-178.961.6000112.8E279 A280 L281 V337 Q338 F339L277-E279 VanDerWaalsContact C-N 3.34Å; L277-E279 PolarHBondContact O-N 3.31Å; L277-A280 PolarHBondContact O-N 2.8Å; L277-L281 HydrophobicContact CD1-CD1 4.06Å; L277-L281 HydrophobicContact CD1-CG 4.27Å; L277-L281 HydrophobicContact CG-CD1 4.1Å; L277-L281 WeakPolarHBondContact O-CG 3.18Å; L277-L281 PolarHBondContact O-N 2.78Å; L277-L281 VanDerWaalsContact O-N 3.11Å; L277-V337 HydrophobicContact CB-CG1 4.5Å; L277-V337 HydrophobicContact CD1-CG1 4.27Å; L277-Q338 PolarHBondContact N-O 3.49Å; L277-F339 HydrophobicContact CD1-CD1 4.42Å; L277-F339 HydrophobicContact CD1-CE1 3.9Å; L277-F339 HydrophobicContact CD1-CZ 4.2Å; L277-F339 HydrophobicContact CD2-CD1 3.98Å; L277-F339 HydrophobicContact CD2-CE1 4.05Å
278V92.6Very high95.2Very high105 Ų10554.8 Ų54.864%0.63629%0.29SS*.Hα-helixtrans-62.1-43177.2177.90000111G276 A280 L281 C282G276-V278 VanDerWaalsContact C-N 3.27Å; G276-V278 PolarHBondContact O-N 2.93Å; V278-A280 VanDerWaalsContact C-N 3.34Å; V278-L281 PolarHBondContact O-N 3.31Å; V278-C282 HydrophobicContact CG1-CB 4.41Å; V278-C282 WeakPolarHBondContact O-CB 3.16Å; V278-C282 PolarHBondContact O-N 3.3Å
279E94.1Very high95Very high85 Ų8559.6 Ų59.640%0.39731%0.308SS..Hα-helixtrans-64.5-40.8177-68.1177.5146.100111.3I275 G276 L277 L281 G283 F284I275-E279 WeakPolarHBondContact CA-OE2 3.48Å; I275-E279 HydrophobicContact CB-CB 4.19Å; G276-E279 PolarHBondContact N-OE2 3.1Å; G276-E279 WeakPolarHBondContact O-CB 3.44Å; G276-E279 PolarHBondContact O-N 3.45Å; G276-E279 VanDerWaalsContact O-N 3.11Å; L277-E279 VanDerWaalsContact C-N 3.34Å; L277-E279 PolarHBondContact O-N 3.31Å; E279-L281 VanDerWaalsContact C-N 3.27Å; E279-L281 PolarHBondContact O-N 3.11Å; E279-G283 CarbonylContact O-C 3.6Å; E279-G283 WeakPolarHBondContact O-CA 3.15Å; E279-G283 PolarHBondContact O-N 3.4Å; E279-F284 HydrophobicContact CB-CB 3.92Å; E279-F284 HydrophobicContact CB-CD1 4.23Å; E279-F284 HydrophobicContact CB-CG 4.42Å; E279-F284 HydrophobicContact CG-CB 4.17Å; E279-F284 WeakPolarHBondContact O-CD1 3.42Å
280A94.6Very high94.9Very high2 Ų259.8 Ų59.82%0.01731%0.309CS..Hα-helixtrans-62.7-31.3178.300000113.3I275 G276 L277 V278 V305 I306 V337I275-A280 HydrophobicContact CD1-CB 3.77Å; I275-A280 HydrophobicContact CG1-CB 4.39Å; G276-A280 PolarHBondContact O-N 3.28Å; L277-A280 PolarHBondContact O-N 2.8Å; V278-A280 VanDerWaalsContact C-N 3.34Å; A280-V305 WeakPolarHBondContact O-CA 3.46Å; A280-I306 HydrophobicContact CB-CB 4.36Å; A280-I306 PolarHBondContact O-N 3.01Å; A280-V337 HydrophobicContact CB-CG1 3.91Å; A280-V337 HydrophobicContact CB-CG2 3.93Å
281L92.3Very high94.8Very high66 Ų6656.3 Ų56.335%0.34630%0.296SS..Hα-helixtrans-94-42.8-179.5-64.1174.3000113.1L277 V278 E279 V305L277-L281 HydrophobicContact CD1-CD1 4.06Å; L277-L281 HydrophobicContact CD1-CG 4.27Å; L277-L281 HydrophobicContact CG-CD1 4.1Å; L277-L281 WeakPolarHBondContact O-CG 3.18Å; L277-L281 PolarHBondContact O-N 2.78Å; L277-L281 VanDerWaalsContact O-N 3.11Å; V278-L281 PolarHBondContact O-N 3.31Å; E279-L281 VanDerWaalsContact C-N 3.27Å; E279-L281 PolarHBondContact O-N 3.11Å; L281-V305 HydrophobicContact CD2-CG1 4.03Å; L281-V305 HydrophobicContact CD2-CG2 4.12Å
282C92.1Very high94.6Very high78 Ų7858.1 Ų58.153%0.52731%0.305SS..Hα-helixtrans-97.30.2-170.8-60.10000113.6V278 A302V278-C282 HydrophobicContact CG1-CB 4.41Å; V278-C282 WeakPolarHBondContact O-CB 3.16Å; V278-C282 PolarHBondContact O-N 3.3Å; C282-A302 VanDerWaalsContact O-CA 3.24Å; C282-A302 WeakPolarHBondContact O-CA 3.25Å; C282-A302 WeakPolarHBondContact O-CB 3.5Å
283G93.6Very high94.4Very high16 Ų1655.9 Ų55.917%0.16530%0.301CS..  trans82.2165.9-174.400000112.5E279 Y300E279-G283 CarbonylContact O-C 3.6Å; E279-G283 WeakPolarHBondContact O-CA 3.15Å; E279-G283 PolarHBondContact O-N 3.4Å; G283-Y300 WeakPolarHBondContact CA-O 3.2Å
284F94.9Very high94.3Very high21 Ų2158.8 Ų58.89%0.09231%0.31CS..EExtended strand (participates in β ladder)trans-155.7166.1-174.960-94.7000112.1I275 E279 F286 Y300 I306 F335I275-F284 HydrophobicContact CD1-CD1 4.32Å; I275-F284 HydrophobicContact CD1-CE1 3.91Å; E279-F284 HydrophobicContact CB-CB 3.92Å; E279-F284 HydrophobicContact CB-CD1 4.23Å; E279-F284 HydrophobicContact CB-CG 4.42Å; E279-F284 HydrophobicContact CG-CB 4.17Å; E279-F284 WeakPolarHBondContact O-CD1 3.42Å; F284-F286 AromaticContact CD2-CD1 3.76Å; F284-F286 HydrophobicContact CD2-CD1 3.76Å; F284-F286 HydrophobicContact CD2-CE1 4.26Å; F284-F286 AromaticContact CE2-CD1 3.69Å; F284-F286 HydrophobicContact CE2-CD1 3.69Å; F284-F286 AromaticContact CE2-CE1 3.69Å; F284-F286 HydrophobicContact CE2-CE1 3.69Å; F284-Y300 HydrophobicContact CE1-CD1 4.07Å; F284-Y300 HydrophobicContact CE1-CG 4.15Å; F284-Y300 HydrophobicContact CZ-CG 4.22Å; F284-Y300 PolarHBondContact N-O 2.96Å; F284-Y300 VanDerWaalsContact N-O 3.16Å; F284-Y300 PolarHBondContact O-N 3.35Å; F284-I306 HydrophobicContact CE1-CG1 3.95Å; F284-F335 HydrophobicContact CE1-CE1 4.25Å; F284-F335 AromaticContact CE2-CE1 3.85Å; F284-F335 HydrophobicContact CE2-CE1 3.85Å; F284-F335 HydrophobicContact CE2-CZ 4.19Å; F284-F335 HydrophobicContact CZ-CD1 4.11Å; F284-F335 AromaticContact CZ-CE1 3.36Å; F284-F335 HydrophobicContact CZ-CE1 3.36Å; F284-F335 AromaticContact CZ-CZ 3.65Å; F284-F335 HydrophobicContact CZ-CZ 3.65Å
285Q95.4Very high94.2Very high131 Ų13159.3 Ų59.361%0.61231%0.314SS*.EExtended strand (participates in β ladder)trans-139.2136.8164.6631805.200109.2V298 K299Q285-V298 VanDerWaalsContact CA-O 3.26Å; Q285-V298 WeakPolarHBondContact CA-O 3.43Å; Q285-K299 HydrophobicContact CB-CG 3.98Å
286F95.1Very high94.2Very high28 Ų2860.4 Ų60.412%0.12332%0.32CS..EExtended strand (participates in β ladder)trans-139.4159.7174.272.6-89.1000110.8H273 F284 L288 V297 V298 I333 F335H273-F286 HydrophobicContact CB-CZ 4.48Å; H273-F286 AromaticContact CD2-CD1 3.75Å; H273-F286 AromaticContact CD2-CE1 3.51Å; H273-F286 AromaticContact CD2-CZ 3.69Å; H273-F286 AromaticContact CE1-CD2 3.66Å; H273-F286 AromaticContact CE1-CE2 3.81Å; H273-F286 AromaticContact CE1-CG 3.91Å; H273-F286 AromaticContact CG-CZ 3.88Å; H273-F286 AromaticContact ND1-CE2 3.96Å; H273-F286 AromaticContact NE2-CD1 3.46Å; H273-F286 WeakPolarHBondContact NE2-CD1 3.34Å; H273-F286 AromaticContact NE2-CD2 3.65Å; H273-F286 AromaticContact NE2-CE1 3.7Å; H273-F286 AromaticContact NE2-CE2 3.87Å; H273-F286 AromaticContact NE2-CG 3.44Å; H273-F286 WeakPolarHBondContact NE2-CG 3.37Å; H273-F286 AromaticContact NE2-CZ 3.9Å; F284-F286 AromaticContact CD2-CD1 3.76Å; F284-F286 HydrophobicContact CD2-CD1 3.76Å; F284-F286 HydrophobicContact CD2-CE1 4.26Å; F284-F286 AromaticContact CE2-CD1 3.69Å; F284-F286 HydrophobicContact CE2-CD1 3.69Å; F284-F286 AromaticContact CE2-CE1 3.69Å; F284-F286 HydrophobicContact CE2-CE1 3.69Å; F286-L288 HydrophobicContact CD2-CB 4.48Å; F286-L288 HydrophobicContact CE2-CB 4.01Å; F286-V297 WeakPolarHBondContact O-CA 3.36Å; F286-V298 HydrophobicContact CD1-CB 4.18Å; F286-V298 HydrophobicContact CE1-CB 3.75Å; F286-V298 HydrophobicContact CE1-CG1 3.83Å; F286-V298 HydrophobicContact CE1-CG2 4.45Å; F286-V298 HydrophobicContact CE2-CB 4.37Å; F286-V298 HydrophobicContact CE2-CG2 4.35Å; F286-V298 HydrophobicContact CZ-CB 3.85Å; F286-V298 HydrophobicContact CZ-CG1 4.13Å; F286-V298 HydrophobicContact CZ-CG2 4.05Å; F286-V298 PolarHBondContact N-O 3.46Å; F286-V298 PolarHBondContact O-N 2.8Å; F286-I333 HydrophobicContact CZ-CD1 4.1Å; F286-F335 HydrophobicContact CE1-CE1 4.25Å
287M95.4Very high94.2Very high131 Ų13162.8 Ų62.865%0.64533%0.329SS*.EExtended strand (participates in β ladder)trans-99.7127.9175.9-65.9-171.4-64.600109.8I296 V297M287-I296 WeakPolarHBondContact CA-O 3.06Å; M287-V297 HydrophobicContact CG-CG2 4.22Å
288L94.5Very high94.3Very high12 Ų1261.1 Ų61.16%0.06332%0.321CS..EExtended strand (participates in β ladder)trans-112.3127.2175.1179.164.6000109.4F262 M271 F286 Q295 I296 L331F262-L288 HydrophobicContact CE1-CD1 4.41Å; F262-L288 HydrophobicContact CE1-CD2 4.16Å; F262-L288 HydrophobicContact CZ-CD1 3.97Å; F262-L288 HydrophobicContact CZ-CD2 4.14Å; F262-L288 HydrophobicContact CZ-CG 4.2Å; M271-L288 HydrophobicContact CE-CD1 3.78Å; M271-L288 HydrophobicContact SD-CD1 3.7Å; M271-L288 HydrophobicContact SD-CD2 3.64Å; M271-L288 HydrophobicContact SD-CG 4.33Å; F286-L288 HydrophobicContact CD2-CB 4.48Å; F286-L288 HydrophobicContact CE2-CB 4.01Å; L288-Q295 WeakPolarHBondContact O-CA 3.42Å; L288-I296 PolarHBondContact N-O 2.88Å; L288-I296 PolarHBondContact O-N 3.31Å; L288-L331 HydrophobicContact CD2-CD2 3.51Å
289K95.2Very high94.4Very high149 Ų14963.1 Ų63.165%0.64832%0.321SS*.EExtended strand (participates in β ladder)trans-81.4118.5168.3-172.7-179.4178.1-174.30109.1R294K289-R294 WeakPolarHBondContact CA-O 3.29Å
290H95.4Very high94.5Very high4 Ų461 Ų612%0.01931%0.31CS..  trans-84.1167.7178-156.9-73.4000111.5Y130 D292 G293 R294 I296 E317Y130-H290 AromaticContact CE2-CE1 3.33Å; Y130-H290 WeakPolarHBondContact CE2-CE1 3.49Å; Y130-H290 AromaticContact CE2-ND1 3.88Å; Y130-H290 AromaticContact CZ-CE1 3.54Å; Y130-H290 AromaticContact CZ-ND1 3.7Å; Y130-H290 PolarHBondContact OH-CE1 3.17Å; H290-D292 PolarHBondContact O-N 3.02Å; H290-D292 VanDerWaalsContact O-N 3.15Å; H290-G293 WeakPolarHBondContact O-CA 3.21Å; H290-G293 PolarHBondContact O-N 3.3Å; H290-R294 PolarHBondContact N-O 2.77Å; H290-I296 HydrophobicContact CB-CD1 3.78Å; H290-I296 HydrophobicContact CB-CG1 4.36Å; H290-I296 VanDerWaalsContact CD2-CD1 3.45Å; H290-I296 WeakPolarHBondContact CD2-CD1 3.2Å; H290-E317 IonicContact CD2-OE2 2.81Å; H290-E317 PolarHBondContact NE2-O 2.85Å; H290-E317 IonicContact NE2-OE2 3.7Å
291L94.8Very high94.4Very high4 Ų464.1 Ų64.12%0.02133%0.33CS..THydrogen-bonded Turntrans-58.7-19.1178.2-63174.1000115.1L126 Y130 N131 F262 L269 M319L126-L291 HydrophobicContact CB-CD1 4.43Å; L126-L291 HydrophobicContact CB-CD2 4.08Å; L126-L291 HydrophobicContact CD2-CD1 3.84Å; Y130-L291 HydrophobicContact CD1-CB 4.15Å; Y130-L291 HydrophobicContact CD2-CB 3.99Å; Y130-L291 HydrophobicContact CD2-CD1 3.73Å; Y130-L291 HydrophobicContact CD2-CG 4.47Å; Y130-L291 HydrophobicContact CG-CB 3.73Å; Y130-L291 HydrophobicContact CG-CD1 4.11Å; N131-L291 PolarHBondContact ND2-O 2.64Å; F262-L291 HydrophobicContact CD2-CD2 3.74Å; F262-L291 HydrophobicContact CD2-CG 4.15Å; F262-L291 HydrophobicContact CE2-CD2 4.21Å; F262-L291 HydrophobicContact CE2-CG 4.36Å; L269-L291 HydrophobicContact CD1-CD1 3.74Å; L269-L291 HydrophobicContact CD2-CD1 4.3Å; L291-M319 HydrophobicContact CD1-SD 3.7Å
292D93Very high94.4Very high49 Ų4964.7 Ų64.726%0.26235%0.345SS..THydrogen-bonded Turntrans-93.24173.755.714.3000113Y130 N131 H290 R294Y130-D292 HydrophobicContact CD1-CB 4.04Å; Y130-D292 HydrophobicContact CE1-CB 3.7Å; N131-D292 WeakPolarHBondContact OD1-CA 3.42Å; N131-D292 WeakPolarHBondContact OD1-CB 3.38Å; H290-D292 PolarHBondContact O-N 3.02Å; H290-D292 VanDerWaalsContact O-N 3.15Å; D292-R294 VanDerWaalsContact C-N 3.28Å; D292-R294 PolarHBondContact O-N 3.44Å; D292-R294 VanDerWaalsContact OD1-CB 3.28Å; D292-R294 WeakPolarHBondContact OD1-CB 3.43Å; D292-R294 WeakPolarHBondContact OD1-CG 3.46Å; D292-R294 PolarHBondContact OD1-N 2.93Å; D292-R294 IonicContact OD1-NE 2.87Å; D292-R294 PolarHBondContact OD1-NE 3.45Å; D292-R294 IonicContact OD2-CZ 3.65Å; D292-R294 VanDerWaalsContact OD2-CZ 3.22Å; D292-R294 IonicContact OD2-NE 2.86Å; D292-R294 PolarHBondContact OD2-NE 3.06Å; D292-R294 IonicContact OD2-NH2 3.78Å; D292-R294 PolarHBondContact OD2-NH2 3.4Å
293G92.7Very high94Very high43 Ų4364.5 Ų64.544%0.44336%0.355SS..SBendtrans81-2.8-177.200000114.7H290H290-G293 WeakPolarHBondContact O-CA 3.21Å; H290-G293 PolarHBondContact O-N 3.3Å
294R93.8Very high93.8Very high105 Ų10569.6 Ų69.640%0.39637%0.373SS..  trans-65.8146.8173.1-68.7-173-68.2128.19.4110.5K289 H290 D292 E317K289-R294 WeakPolarHBondContact CA-O 3.29Å; H290-R294 PolarHBondContact N-O 2.77Å; D292-R294 VanDerWaalsContact C-N 3.28Å; D292-R294 PolarHBondContact O-N 3.44Å; D292-R294 VanDerWaalsContact OD1-CB 3.28Å; D292-R294 WeakPolarHBondContact OD1-CB 3.43Å; D292-R294 WeakPolarHBondContact OD1-CG 3.46Å; D292-R294 PolarHBondContact OD1-N 2.93Å; D292-R294 IonicContact OD1-NE 2.87Å; D292-R294 PolarHBondContact OD1-NE 3.45Å; D292-R294 IonicContact OD2-CZ 3.65Å; D292-R294 VanDerWaalsContact OD2-CZ 3.22Å; D292-R294 IonicContact OD2-NE 2.86Å; D292-R294 PolarHBondContact OD2-NE 3.06Å; D292-R294 IonicContact OD2-NH2 3.78Å; D292-R294 PolarHBondContact OD2-NH2 3.4Å; R294-E317 IonicContact CZ-OE1 2.75Å; R294-E317 IonicContact CZ-OE2 3.93Å; R294-E317 IonicContact NH1-OE1 3.65Å; R294-E317 PolarHBondContact NH1-OE1 3.22Å; R294-E317 IonicContact NH1-OE2 3.22Å; R294-E317 IonicContact NH2-OE1 2.63Å; R294-E317 IonicContact NH2-OE2 3.23Å; R294-E317 PolarHBondContact NH2-OE2 3.4Å
295Q95.3Very high93.7Very high137 Ų13772.2 Ų72.264%0.6439%0.391SS*.EExtended strand (participates in β ladder)trans-95.5120.2168.3-66.8-169.676.700109.2L288L288-Q295 WeakPolarHBondContact O-CA 3.42Å
296I94.8Very high93.7Very high24 Ų2466.1 Ų66.112%0.12336%0.362CS..EExtended strand (participates in β ladder)trans-105.6125.9179.2-56.6174.8000107.7M287 L288 H290 V298 E317M287-I296 WeakPolarHBondContact CA-O 3.06Å; L288-I296 PolarHBondContact N-O 2.88Å; L288-I296 PolarHBondContact O-N 3.31Å; H290-I296 HydrophobicContact CB-CD1 3.78Å; H290-I296 HydrophobicContact CB-CG1 4.36Å; H290-I296 VanDerWaalsContact CD2-CD1 3.45Å; H290-I296 WeakPolarHBondContact CD2-CD1 3.2Å; I296-V298 HydrophobicContact CG2-CG2 4.39Å; I296-V298 PolarHBondContact O-N 3.49Å; I296-E317 HydrophobicContact CD1-CB 4.39Å; I296-E317 VanDerWaalsContact CD1-CD 3.5Å; I296-E317 HydrophobicContact CD1-CG 3.93Å; I296-E317 WeakPolarHBondContact CD1-OE2 3.33Å
297V96.3Very high93.7Very high76 Ų7671.3 Ų71.346%0.46139%0.387SS..EExtended strand (participates in β ladder)trans-88.2108.2173.9-174.10000108.3F286 M287 K299F286-V297 WeakPolarHBondContact O-CA 3.36Å; M287-V297 HydrophobicContact CG-CG2 4.22Å; V297-K299 HydrophobicContact CG1-CD 4.46Å; V297-K299 HydrophobicContact CG1-CG 3.93Å
298V95.4Very high93.6Very high18 Ų1869 Ų6911%0.10938%0.382CS..EExtended strand (participates in β ladder)trans-88.8123174.1-178.80000107.7Q285 F286 I296 V314 I333Q285-V298 VanDerWaalsContact CA-O 3.26Å; Q285-V298 WeakPolarHBondContact CA-O 3.43Å; F286-V298 HydrophobicContact CD1-CB 4.18Å; F286-V298 HydrophobicContact CE1-CB 3.75Å; F286-V298 HydrophobicContact CE1-CG1 3.83Å; F286-V298 HydrophobicContact CE1-CG2 4.45Å; F286-V298 HydrophobicContact CE2-CB 4.37Å; F286-V298 HydrophobicContact CE2-CG2 4.35Å; F286-V298 HydrophobicContact CZ-CB 3.85Å; F286-V298 HydrophobicContact CZ-CG1 4.13Å; F286-V298 HydrophobicContact CZ-CG2 4.05Å; F286-V298 PolarHBondContact N-O 3.46Å; F286-V298 PolarHBondContact O-N 2.8Å; I296-V298 HydrophobicContact CG2-CG2 4.39Å; I296-V298 PolarHBondContact O-N 3.49Å; V298-V314 HydrophobicContact CG1-CG2 4.35Å; V298-V314 HydrophobicContact CG2-CG2 4.28Å; V298-I333 HydrophobicContact CG1-CD1 4.38Å; V298-I333 HydrophobicContact CG2-CD1 4.32Å
299K94.8Very high93.6Very high146 Ų14670.2 Ų70.264%0.63540%0.397SS*.EExtended strand (participates in β ladder)trans-118.2135-179.7-60.4-172.9177.8-177.40110.2Q285 V297Q285-K299 HydrophobicContact CB-CG 3.98Å; V297-K299 HydrophobicContact CG1-CD 4.46Å; V297-K299 HydrophobicContact CG1-CG 3.93Å
300Y95.2Very high93.6Very high40 Ų4064.2 Ų64.216%0.15737%0.374CS..EExtended strand (participates in β ladder)trans-123.6125170.7-165.3-109.1000109.5G283 F284 K304 V305 I306 R312G283-Y300 WeakPolarHBondContact CA-O 3.2Å; F284-Y300 HydrophobicContact CE1-CD1 4.07Å; F284-Y300 HydrophobicContact CE1-CG 4.15Å; F284-Y300 HydrophobicContact CZ-CG 4.22Å; F284-Y300 PolarHBondContact N-O 2.96Å; F284-Y300 VanDerWaalsContact N-O 3.16Å; F284-Y300 PolarHBondContact O-N 3.35Å; Y300-K304 HydrophobicContact CE1-CB 3.62Å; Y300-K304 WeakPolarHBondContact CE1-O 3.48Å; Y300-K304 WeakPolarHBondContact OH-CB 3.17Å; Y300-V305 PolarHBondContact OH-O 3.42Å; Y300-I306 HydrophobicContact CD1-CD1 4.02Å; Y300-I306 HydrophobicContact CD1-CG1 3.79Å; Y300-I306 HydrophobicContact CD2-CD1 4.31Å; Y300-I306 HydrophobicContact CE1-CD1 3.46Å; Y300-I306 VanDerWaalsContact CE1-CD1 3.46Å; Y300-I306 HydrophobicContact CE1-CG1 3.48Å; Y300-I306 VanDerWaalsContact CE1-CG1 3.48Å; Y300-I306 HydrophobicContact CE2-CD1 3.84Å; Y300-I306 HydrophobicContact CG-CD1 4.39Å; Y300-I306 HydrophobicContact CG-CG1 4.46Å; Y300-R312 PolarHBondContact OH-NH2 2.72Å
301P93.4Very high93.6Very high68 Ų6867.5 Ų67.544%0.44239%0.394SS..  trans-69.2147.1-170.129.6-36.1000112K304P301-K304 HydrophobicContact CG-CD 3.9Å; P301-K304 HydrophobicContact CG-CG 4.24Å
302A90.5Very high93.7Very high79 Ų7972.3 Ų72.365%0.65341%0.412SS*.THydrogen-bonded Turntrans-59.9146.9171.900000111.8C282 K304C282-A302 VanDerWaalsContact O-CA 3.24Å; C282-A302 WeakPolarHBondContact O-CA 3.25Å; C282-A302 WeakPolarHBondContact O-CB 3.5Å; A302-K304 VanDerWaalsContact C-N 3.29Å; A302-K304 PolarHBondContact O-N 3.23Å
303G84.1Confident93.9Very high73 Ų7372.9 Ų72.975%0.75342%0.417SS*.THydrogen-bonded Turntrans82.4-0.5179.600000114.9
304K90.9Very high94.1Very high123 Ų12372.5 Ų72.554%0.53541%0.406SS..  trans-105.1132.8164.3-63.2-167.5-178.2-178.10108.6Y300 P301 A302Y300-K304 HydrophobicContact CE1-CB 3.62Å; Y300-K304 WeakPolarHBondContact CE1-O 3.48Å; Y300-K304 WeakPolarHBondContact OH-CB 3.17Å; P301-K304 HydrophobicContact CG-CD 3.9Å; P301-K304 HydrophobicContact CG-CG 4.24Å; A302-K304 VanDerWaalsContact C-N 3.29Å; A302-K304 PolarHBondContact O-N 3.23Å
305V92.9Very high94.2Very high77 Ų7777.1 Ų77.147%0.46742%0.423SS..PPolyproline II helixtrans-88142.6-179.1-179.10000110.6A280 L281 Y300 R312A280-V305 WeakPolarHBondContact O-CA 3.46Å; L281-V305 HydrophobicContact CD2-CG1 4.03Å; L281-V305 HydrophobicContact CD2-CG2 4.12Å; Y300-V305 PolarHBondContact OH-O 3.42Å; V305-R312 PolarHBondContact O-NH2 2.94Å
306I94.7Very high94.2Very high3 Ų372.2 Ų72.22%0.01541%0.41CS..PPolyproline II helixtrans-103.3117.9163.9-68.7-57.5000108.5I275 A280 F284 Y300 S310 R312 F335 V337I275-I306 HydrophobicContact CD1-CB 4.02Å; I275-I306 HydrophobicContact CD1-CG1 4.47Å; I275-I306 HydrophobicContact CD1-CG2 3.7Å; A280-I306 HydrophobicContact CB-CB 4.36Å; A280-I306 PolarHBondContact O-N 3.01Å; F284-I306 HydrophobicContact CE1-CG1 3.95Å; Y300-I306 HydrophobicContact CD1-CD1 4.02Å; Y300-I306 HydrophobicContact CD1-CG1 3.79Å; Y300-I306 HydrophobicContact CD2-CD1 4.31Å; Y300-I306 HydrophobicContact CE1-CD1 3.46Å; Y300-I306 VanDerWaalsContact CE1-CD1 3.46Å; Y300-I306 HydrophobicContact CE1-CG1 3.48Å; Y300-I306 VanDerWaalsContact CE1-CG1 3.48Å; Y300-I306 HydrophobicContact CE2-CD1 3.84Å; Y300-I306 HydrophobicContact CG-CD1 4.39Å; Y300-I306 HydrophobicContact CG-CG1 4.46Å; I306-S310 WeakPolarHBondContact CG2-OG 3.27Å; I306-R312 HydrophobicContact CD1-CG 3.82Å; I306-F335 HydrophobicContact CG2-CB 3.45Å; I306-F335 VanDerWaalsContact CG2-CB 3.45Å; I306-F335 HydrophobicContact CG2-CD1 4.48Å; I306-F335 HydrophobicContact CG2-CD2 4.14Å; I306-F335 HydrophobicContact CG2-CG 3.77Å; I306-V337 HydrophobicContact CG2-CG2 4.43Å
307E94.1Very high94.3Very high137 Ų13772.7 Ų72.764%0.6441%0.411SS*.PPolyproline II helixtrans-79147.9174.6-66.7169.4-171.900110.3G309 S310E307-G309 PolarHBondContact O-N 3.42Å; E307-S310 PolarHBondContact N-OG 3.13Å; E307-S310 VanDerWaalsContact O-CB 3.23Å; E307-S310 WeakPolarHBondContact O-CB 3.33Å; E307-S310 PolarHBondContact O-N 3.11Å; E307-S310 PolarHBondContact O-OG 3.17Å
308P94.6Very high94.3Very high83 Ų8369 Ų6954%0.53939%0.389SS..THydrogen-bonded Turntrans-54.3129172.4-21.830.9000111.6S310 V337 F339P308-S310 PolarHBondContact O-N 3.28Å; P308-V337 HydrophobicContact CB-CB 4.34Å; P308-V337 HydrophobicContact CB-CG2 4.37Å; P308-V337 HydrophobicContact CG-CB 4.07Å; P308-V337 HydrophobicContact CG-CG2 4.16Å; P308-F339 HydrophobicContact CG-CE2 4.26Å
309G93.5Very high94.4Very high37 Ų3768.2 Ų68.238%0.38138%0.384SS..THydrogen-bonded Turntrans79-2.5-17900000115.2E307 F335E307-G309 PolarHBondContact O-N 3.42Å; G309-F335 VanDerWaalsContact CA-O 3.28Å; G309-F335 WeakPolarHBondContact CA-O 3.33Å; G309-F335 PolarHBondContact N-O 2.87Å
310S94.8Very high94.5Very high22 Ų2261.4 Ų61.415%0.15436%0.355CS..  trans-66.6149.9177.567.40000112.1I306 E307 P308 K334 F335I306-S310 WeakPolarHBondContact CG2-OG 3.27Å; E307-S310 PolarHBondContact N-OG 3.13Å; E307-S310 VanDerWaalsContact O-CB 3.23Å; E307-S310 WeakPolarHBondContact O-CB 3.33Å; E307-S310 PolarHBondContact O-N 3.11Å; E307-S310 PolarHBondContact O-OG 3.17Å; P308-S310 PolarHBondContact O-N 3.28Å; S310-K334 WeakPolarHBondContact O-CA 3.17Å; S310-F335 PolarHBondContact O-N 3.15Å
311V96.8Very high94.5Very high74 Ų7462.3 Ų62.345%0.44836%0.36SS..EExtended strand (participates in β ladder)trans-113.6130.2-178.2-177.10000109.5F332 I333 K334V311-F332 HydrophobicContact CG1-CB 3.91Å; V311-F332 HydrophobicContact CG1-CD1 3.97Å; V311-F332 HydrophobicContact CG1-CG 4.43Å; V311-I333 WeakPolarHBondContact CA-O 3.43Å; V311-K334 HydrophobicContact CG2-CB 4.18Å; V311-K334 HydrophobicContact CG2-CG 4.26Å
312R96.7Very high94.5Very high105 Ų10562.6 Ų62.640%0.39635%0.353SS..EExtended strand (participates in β ladder)trans-117.4158.5170.2-52.9-63.1-176.2-171.3-0.3110.3Y300 V305 I306 F332 I333 F335Y300-R312 PolarHBondContact OH-NH2 2.72Å; V305-R312 PolarHBondContact O-NH2 2.94Å; I306-R312 HydrophobicContact CD1-CG 3.82Å; R312-F332 WeakPolarHBondContact O-CA 3.35Å; R312-I333 PolarHBondContact N-O 3.46Å; R312-I333 PolarHBondContact O-N 3.37Å; R312-F335 HydrophobicContact CB-CE2 3.87Å; R312-F335 HydrophobicContact CG-CD2 4.14Å; R312-F335 HydrophobicContact CG-CE2 3.73Å
313V97.3Very high94.5Very high61 Ų6168.9 Ų68.937%0.3736%0.36SS..EExtended strand (participates in β ladder)trans-115.9134.4-175.665.30000111R315 D330 L331 F332V313-R315 HydrophobicContact CG1-CG 4.44Å; V313-R315 HydrophobicContact CG2-CG 4.28Å; V313-D330 HydrophobicContact CG2-CB 3.65Å; V313-L331 CarbonylContact C-O 3.57Å; V313-L331 WeakPolarHBondContact CA-O 3.28Å; V313-F332 HydrophobicContact CB-CD1 4.14Å; V313-F332 HydrophobicContact CB-CE1 4.05Å; V313-F332 HydrophobicContact CG2-CD1 4.18Å; V313-F332 HydrophobicContact CG2-CE1 3.88Å; V313-F332 HydrophobicContact CG2-CZ 4.15Å
314V96.6Very high95Very high34 Ų3468.2 Ų68.221%0.20634%0.339CS..EExtended strand (participates in β ladder)trans-106.2104.2165-176.10000106.6V298 E317 L331 I333V298-V314 HydrophobicContact CG1-CG2 4.35Å; V298-V314 HydrophobicContact CG2-CG2 4.28Å; V314-E317 HydrophobicContact CG1-CB 4.09Å; V314-E317 HydrophobicContact CG1-CG 3.88Å; V314-L331 HydrophobicContact CB-CB 4.23Å; V314-L331 HydrophobicContact CB-CD2 4.46Å; V314-L331 PolarHBondContact N-O 3.02Å; V314-L331 PolarHBondContact O-N 3.47Å; V314-I333 HydrophobicContact CG2-CD1 3.91Å
315R96.4Very high94.9Very high203 Ų20364.6 Ų64.677%0.76633%0.328SS*.THydrogen-bonded Turntrans-69.3139.7-172.9-69.2-175177.7158.5-0.4112V313 E317 D330V313-R315 HydrophobicContact CG1-CG 4.44Å; V313-R315 HydrophobicContact CG2-CG 4.28Å; R315-E317 PolarHBondContact O-N 3.04Å; R315-D330 WeakPolarHBondContact CA-OD1 3.31Å
316G94.9Very high94.9Very high34 Ų3470.1 Ų70.135%0.35135%0.347SS..THydrogen-bonded Turntrans73.98.4175.500000115.3K328 G329 D330G316-K328 WeakPolarHBondContact O-CD 3.21Å; G316-G329 CarbonylContact C-O 3.38Å; G316-G329 VanDerWaalsContact CA-O 3.32Å; G316-G329 WeakPolarHBondContact CA-O 3.33Å; G316-D330 PolarHBondContact N-OD1 2.91Å
317E96.1Very high94.9Very high33 Ų3374.7 Ų74.715%0.15437%0.368CS..  trans-109.927.6175.7-63.4-68.5177.200111.7H290 R294 I296 V314 R315 G329 L331H290-E317 IonicContact CD2-OE2 2.81Å; H290-E317 PolarHBondContact NE2-O 2.85Å; H290-E317 IonicContact NE2-OE2 3.7Å; R294-E317 IonicContact CZ-OE1 2.75Å; R294-E317 IonicContact CZ-OE2 3.93Å; R294-E317 IonicContact NH1-OE1 3.65Å; R294-E317 PolarHBondContact NH1-OE1 3.22Å; R294-E317 IonicContact NH1-OE2 3.22Å; R294-E317 IonicContact NH2-OE1 2.63Å; R294-E317 IonicContact NH2-OE2 3.23Å; R294-E317 PolarHBondContact NH2-OE2 3.4Å; I296-E317 HydrophobicContact CD1-CB 4.39Å; I296-E317 VanDerWaalsContact CD1-CD 3.5Å; I296-E317 HydrophobicContact CD1-CG 3.93Å; I296-E317 WeakPolarHBondContact CD1-OE2 3.33Å; V314-E317 HydrophobicContact CG1-CB 4.09Å; V314-E317 HydrophobicContact CG1-CG 3.88Å; R315-E317 PolarHBondContact O-N 3.04Å; E317-G329 PolarHBondContact N-O 3.47Å; E317-L331 HydrophobicContact CB-CB 4.21Å; E317-L331 WeakPolarHBondContact O-CB 3.29Å
318G96.4Very high95Very high0 Ų071.6 Ų71.60%035%0.352CS..SBendtrans-89.6-164.4167.500000112.9Y130 G329 D330Y130-G318 VanDerWaalsContact CE2-O 3.29Å; Y130-G318 WeakPolarHBondContact CE2-O 3.26Å; G318-G329 VanDerWaalsContact CA-C 3.44Å; G318-G329 VanDerWaalsContact CA-O 3.31Å; G318-G329 WeakPolarHBondContact CA-O 3.23Å; G318-G329 PolarHBondContact N-O 3.07Å; G318-D330 WeakPolarHBondContact CA-O 3.17Å
319M97.5Very high95.1Very high0 Ų068.1 Ų68.10%033%0.331CS..PPolyproline II helixtrans-70.7144.4177.9-67.3-66-74.600112.2L126 L129 Y130 R264 N267 L269 L291 K328 G329L126-M319 HydrophobicContact CD2-CE 3.86Å; L126-M319 HydrophobicContact CD2-CG 4.44Å; L126-M319 HydrophobicContact CD2-SD 3.5Å; L126-M319 WeakPolarHBondContact CD2-SD 3.23Å; L129-M319 HydrophobicContact CB-CE 3.74Å; Y130-M319 HydrophobicContact CD2-SD 3.77Å; R264-M319 HydrophobicContact CG-CG 3.93Å; N267-M319 WeakPolarHBondContact O-CA 3.42Å; N267-M319 WeakPolarHBondContact O-CB 3.46Å; N267-M319 PolarHBondContact O-N 3.49Å; L269-M319 HydrophobicContact CD1-SD 4.42Å; L269-M319 HydrophobicContact CD2-CG 3.66Å; L269-M319 HydrophobicContact CD2-SD 3.88Å; L269-M319 HydrophobicContact CG-CG 4.02Å; L269-M319 HydrophobicContact CG-SD 4.42Å; L291-M319 HydrophobicContact CD1-SD 3.7Å; M319-K328 WeakPolarHBondContact O-CA 3.31Å; M319-G329 PolarHBondContact O-N 3.49Å
320P97Very high95.3Very high3 Ų368.5 Ų68.52%0.01933%0.325CS..EExtended strand (participates in β ladder)trans-64.5147.7170.927.1-33.5000111.3Y130 K225 G226 P325 E327Y130-P320 VanDerWaalsContact CD2-CD 3.46Å; Y130-P320 HydrophobicContact CD2-CG 4.43Å; K225-P320 HydrophobicContact CB-CB 4.49Å; K225-P320 HydrophobicContact CB-CG 4.11Å; G226-P320 WeakPolarHBondContact CA-O 3.13Å; P320-P325 HydrophobicContact CB-CB 4.31Å; P320-E327 WeakPolarHBondContact CA-O 3.46Å
321Q94.8Very high95.4Very high60 Ų6067.5 Ų67.528%0.2832%0.317SS..EExtended strand (participates in β ladder)trans-76.8136.9173.4-59.4-171.324.100111R323 N324 E327Q321-R323 PolarHBondContact O-N 3.18Å; Q321-N324 HydrophobicContact CB-CB 4.47Å; Q321-N324 CarbonylContact O-C 3.57Å; Q321-N324 PolarHBondContact O-N 3.25Å; Q321-E327 HydrophobicContact CG-CB 4.1Å; Q321-E327 PolarHBondContact N-O 3.1Å; Q321-E327 PolarHBondContact NE2-OE2 3.19Å
322Y93.2Very high95.5Very high73 Ų7366.3 Ų66.329%0.28631%0.306SS..THydrogen-bonded Turntrans-60.4134.5174.1-178-123.6000110.6D224 M227 Q231 N324D224-Y322 HydrophobicContact CB-CD2 4.18Å; D224-Y322 HydrophobicContact CB-CE2 3.72Å; M227-Y322 HydrophobicContact CG-CD2 3.62Å; M227-Y322 HydrophobicContact CG-CE2 3.6Å; M227-Y322 HydrophobicContact SD-CE2 4.44Å; Q231-Y322 VanDerWaalsContact NE2-CZ 3.3Å; Y322-N324 PolarHBondContact O-N 3.39Å
323R91.8Very high95.5Very high211 Ų21161.4 Ų61.480%0.79629%0.288SS*.THydrogen-bonded Turntrans66.8-17.4-172.8-55.9177.3173.3176.6-3116.5Q321Q321-R323 PolarHBondContact O-N 3.18Å
324N93.9Very high95.5Very high59 Ų5963.6 Ų63.632%0.31629%0.292SS..EExtended strand (participates in β ladder)trans-126.470.1171.6-16913.7000111.5Q321 Y322 F326 E327Q321-N324 HydrophobicContact CB-CB 4.47Å; Q321-N324 CarbonylContact O-C 3.57Å; Q321-N324 PolarHBondContact O-N 3.25Å; Y322-N324 PolarHBondContact O-N 3.39Å; N324-F326 PolarHBondContact O-N 3.1Å; N324-E327 WeakPolarHBondContact ND2-CG 3.42Å; N324-E327 PolarHBondContact ND2-OE1 3.21Å; N324-E327 PolarHBondContact O-N 2.95Å; N324-E327 VanDerWaalsContact O-N 3.16Å
325P89.4Confident95.6Very high48 Ų4862.1 Ų62.131%0.31228%0.283SS..EExtended strand (participates in β ladder)trans-69.7-9.6-169.8-18.933.7000114.9K225 P320 E327K225-P325 HydrophobicContact CB-CB 4.13Å; K225-P325 HydrophobicContact CB-CG 4.3Å; K225-P325 HydrophobicContact CD-CB 4.12Å; P320-P325 HydrophobicContact CB-CB 4.31Å; P325-E327 VanDerWaalsContact C-N 3.34Å
326F91.9Very high95.6Very high193 Ų19355.8 Ų55.885%0.84627%0.265SS*.EExtended strand (participates in β ladder)trans-76-26.7176.6-59.7-75.3000112N324N324-F326 PolarHBondContact O-N 3.1Å
327E94.9Very high95.6Very high99 Ų9954.7 Ų54.746%0.46325%0.251SS..EExtended strand (participates in β ladder)trans-88.5131.3170.4-71.3-178.8-157.700109.7P320 Q321 N324 P325P320-E327 WeakPolarHBondContact CA-O 3.46Å; Q321-E327 HydrophobicContact CG-CB 4.1Å; Q321-E327 PolarHBondContact N-O 3.1Å; Q321-E327 PolarHBondContact NE2-OE2 3.19Å; N324-E327 WeakPolarHBondContact ND2-CG 3.42Å; N324-E327 PolarHBondContact ND2-OE1 3.21Å; N324-E327 PolarHBondContact O-N 2.95Å; N324-E327 VanDerWaalsContact O-N 3.16Å; P325-E327 VanDerWaalsContact C-N 3.34Å
328K95.9Very high95.6Very high72 Ų7258.1 Ų58.131%0.31327%0.267SS..EExtended strand (participates in β ladder)trans-121.4153177.5-62-179-176.7-179.50109.2Y130 G316 M319Y130-K328 WeakPolarHBondContact OH-CE 3.26Å; Y130-K328 PolarHBondContact OH-NZ 3.35Å; G316-K328 WeakPolarHBondContact O-CD 3.21Å; M319-K328 WeakPolarHBondContact O-CA 3.31Å
329G96.5Very high95.4Very high9 Ų964.6 Ų64.69%0.09330%0.295CS..  trans-72.6-161164.400000111.7N267 D268 G316 E317 G318 M319N267-G329 WeakPolarHBondContact O-CA 3.45Å; D268-G329 VanDerWaalsContact OD1-CA 3.29Å; D268-G329 WeakPolarHBondContact OD1-CA 3.35Å; G316-G329 CarbonylContact C-O 3.38Å; G316-G329 VanDerWaalsContact CA-O 3.32Å; G316-G329 WeakPolarHBondContact CA-O 3.33Å; E317-G329 PolarHBondContact N-O 3.47Å; G318-G329 VanDerWaalsContact CA-C 3.44Å; G318-G329 VanDerWaalsContact CA-O 3.31Å; G318-G329 WeakPolarHBondContact CA-O 3.23Å; G318-G329 PolarHBondContact N-O 3.07Å; M319-G329 PolarHBondContact O-N 3.49Å
330D97.9Very high95.1Very high46 Ų4666.9 Ų66.925%0.24631%0.31CS..  trans-112.8157.8-178-68.4-25000112.2D268 L269 V313 R315 G316 G318 F332D268-D330 CarbonylContact C-O 3.14Å; D268-D330 VanDerWaalsContact CA-O 3.3Å; D268-D330 WeakPolarHBondContact CA-O 3.46Å; D268-D330 PolarHBondContact OD1-N 3.46Å; L269-D330 PolarHBondContact N-O 3.49Å; V313-D330 HydrophobicContact CG2-CB 3.65Å; R315-D330 WeakPolarHBondContact CA-OD1 3.31Å; G316-D330 PolarHBondContact N-OD1 2.91Å; G318-D330 WeakPolarHBondContact CA-O 3.17Å; D330-F332 HydrophobicContact CB-CE2 3.98Å; D330-F332 HydrophobicContact CB-CZ 4.27Å
331L97.9Very high94.9Very high1 Ų174.8 Ų74.81%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-102.5118.3170.917166.6000109.8F262 L269 M271 L288 V313 V314 E317 I333F262-L331 HydrophobicContact CD1-CD1 4.03Å; F262-L331 HydrophobicContact CE1-CD1 3.9Å; L269-L331 HydrophobicContact CB-CD1 3.68Å; L269-L331 CarbonylContact O-C 3.57Å; L269-L331 WeakPolarHBondContact O-CA 3.09Å; M271-L331 HydrophobicContact CG-CD1 4.11Å; M271-L331 HydrophobicContact SD-CD1 4.41Å; M271-L331 HydrophobicContact SD-CD2 4.5Å; L288-L331 HydrophobicContact CD2-CD2 3.51Å; V313-L331 CarbonylContact C-O 3.57Å; V313-L331 WeakPolarHBondContact CA-O 3.28Å; V314-L331 HydrophobicContact CB-CB 4.23Å; V314-L331 HydrophobicContact CB-CD2 4.46Å; V314-L331 PolarHBondContact N-O 3.02Å; V314-L331 PolarHBondContact O-N 3.47Å; E317-L331 HydrophobicContact CB-CB 4.21Å; E317-L331 WeakPolarHBondContact O-CB 3.29Å; L331-I333 HydrophobicContact CD2-CD1 4.13Å; L331-I333 HydrophobicContact CD2-CG1 4.23Å; L331-I333 HydrophobicContact CG-CD1 4.42Å; L331-I333 HydrophobicContact CG-CG1 3.99Å
332F98.1Very high94.6Very high49 Ų4979.2 Ų79.222%0.21537%0.373CS..EExtended strand (participates in β ladder)trans-97.2124.5173.6-65-86000110.2D268 L269 Y270 M271 V311 R312 V313 D330D268-F332 HydrophobicContact CB-CD2 4.06Å; D268-F332 HydrophobicContact CB-CE2 3.83Å; L269-F332 PolarHBondContact O-N 3.31Å; Y270-F332 CarbonylContact C-O 3.39Å; Y270-F332 VanDerWaalsContact CA-O 3.32Å; Y270-F332 WeakPolarHBondContact CA-O 3.41Å; Y270-F332 HydrophobicContact CD1-CB 3.58Å; Y270-F332 HydrophobicContact CD1-CD2 4.37Å; Y270-F332 HydrophobicContact CD1-CG 4.21Å; Y270-F332 HydrophobicContact CE1-CB 3.66Å; Y270-F332 AromaticContact CE1-CD2 3.8Å; Y270-F332 HydrophobicContact CE1-CD2 3.8Å; Y270-F332 AromaticContact CE1-CG 3.78Å; Y270-F332 HydrophobicContact CE1-CG 3.78Å; Y270-F332 HydrophobicContact CE2-CD2 4.1Å; Y270-F332 HydrophobicContact CG-CB 4.25Å; Y270-F332 AromaticContact CZ-CD2 3.65Å; M271-F332 PolarHBondContact N-O 2.94Å; V311-F332 HydrophobicContact CG1-CB 3.91Å; V311-F332 HydrophobicContact CG1-CD1 3.97Å; V311-F332 HydrophobicContact CG1-CG 4.43Å; R312-F332 WeakPolarHBondContact O-CA 3.35Å; V313-F332 HydrophobicContact CB-CD1 4.14Å; V313-F332 HydrophobicContact CB-CE1 4.05Å; V313-F332 HydrophobicContact CG2-CD1 4.18Å; V313-F332 HydrophobicContact CG2-CE1 3.88Å; V313-F332 HydrophobicContact CG2-CZ 4.15Å; D330-F332 HydrophobicContact CB-CE2 3.98Å; D330-F332 HydrophobicContact CB-CZ 4.27Å
333I97.7Very high94.3Very high2 Ų283.2 Ų83.21%0.0140%0.399CS..EExtended strand (participates in β ladder)trans-113.4113179.8-50.8-177.7000107.5M271 H273 F286 V298 V311 R312 V314 L331 F335M271-I333 HydrophobicContact CG-CB 4.27Å; M271-I333 HydrophobicContact CG-CG1 3.89Å; M271-I333 HydrophobicContact CG-CG2 4.09Å; M271-I333 WeakPolarHBondContact O-CA 3.34Å; M271-I333 HydrophobicContact SD-CD1 4.29Å; M271-I333 HydrophobicContact SD-CG1 4.16Å; H273-I333 HydrophobicContact CB-CG2 3.66Å; F286-I333 HydrophobicContact CZ-CD1 4.1Å; V298-I333 HydrophobicContact CG1-CD1 4.38Å; V298-I333 HydrophobicContact CG2-CD1 4.32Å; V311-I333 WeakPolarHBondContact CA-O 3.43Å; R312-I333 PolarHBondContact N-O 3.46Å; R312-I333 PolarHBondContact O-N 3.37Å; V314-I333 HydrophobicContact CG2-CD1 3.91Å; L331-I333 HydrophobicContact CD2-CD1 4.13Å; L331-I333 HydrophobicContact CD2-CG1 4.23Å; L331-I333 HydrophobicContact CG-CD1 4.42Å; L331-I333 HydrophobicContact CG-CG1 3.99Å; I333-F335 HydrophobicContact CB-CE2 3.95Å; I333-F335 HydrophobicContact CB-CZ 4.06Å; I333-F335 HydrophobicContact CG2-CD2 4.37Å; I333-F335 HydrophobicContact CG2-CE1 3.97Å; I333-F335 HydrophobicContact CG2-CE2 3.78Å; I333-F335 HydrophobicContact CG2-CZ 3.57Å; I333-F335 WeakPolarHBondContact O-CD2 3.2Å; I333-F335 WeakPolarHBondContact O-CE2 3.37Å
334K97.6Very high94.1Very high106 Ų10680.2 Ų80.246%0.46139%0.388SS..EExtended strand (participates in β ladder)trans-84126.6169.8-175.6179.2179.8-178.30108.7M271 T272 H273 S310 V311M271-K334 PolarHBondContact O-N 3.42Å; T272-K334 CarbonylContact C-O 3.55Å; T272-K334 VanDerWaalsContact CA-O 3.31Å; T272-K334 WeakPolarHBondContact CA-O 3.27Å; H273-K334 PolarHBondContact N-O 3.04Å; S310-K334 WeakPolarHBondContact O-CA 3.17Å; V311-K334 HydrophobicContact CG2-CB 4.18Å; V311-K334 HydrophobicContact CG2-CG 4.26Å
335F96.9Very high93.9Very high4 Ų479.2 Ų79.22%0.01838%0.382CS..EExtended strand (participates in β ladder)trans-96.2129.4179.6-69-84.8000111.3H273 I275 F284 F286 I306 G309 S310 R312 I333H273-F335 HydrophobicContact CB-CD1 4.27Å; H273-F335 HydrophobicContact CB-CE1 4.19Å; H273-F335 WeakPolarHBondContact O-CA 3.48Å; I275-F335 HydrophobicContact CD1-CB 4.27Å; I275-F335 HydrophobicContact CD1-CD1 3.88Å; I275-F335 HydrophobicContact CD1-CG 4.34Å; I275-F335 HydrophobicContact CG1-CD1 4.26Å; I275-F335 HydrophobicContact CG2-CD1 3.84Å; I275-F335 HydrophobicContact CG2-CE1 4.17Å; F284-F335 HydrophobicContact CE1-CE1 4.25Å; F284-F335 AromaticContact CE2-CE1 3.85Å; F284-F335 HydrophobicContact CE2-CE1 3.85Å; F284-F335 HydrophobicContact CE2-CZ 4.19Å; F284-F335 HydrophobicContact CZ-CD1 4.11Å; F284-F335 AromaticContact CZ-CE1 3.36Å; F284-F335 HydrophobicContact CZ-CE1 3.36Å; F284-F335 AromaticContact CZ-CZ 3.65Å; F284-F335 HydrophobicContact CZ-CZ 3.65Å; F286-F335 HydrophobicContact CE1-CE1 4.25Å; I306-F335 HydrophobicContact CG2-CB 3.45Å; I306-F335 VanDerWaalsContact CG2-CB 3.45Å; I306-F335 HydrophobicContact CG2-CD1 4.48Å; I306-F335 HydrophobicContact CG2-CD2 4.14Å; I306-F335 HydrophobicContact CG2-CG 3.77Å; G309-F335 VanDerWaalsContact CA-O 3.28Å; G309-F335 WeakPolarHBondContact CA-O 3.33Å; G309-F335 PolarHBondContact N-O 2.87Å; S310-F335 PolarHBondContact O-N 3.15Å; R312-F335 HydrophobicContact CB-CE2 3.87Å; R312-F335 HydrophobicContact CG-CD2 4.14Å; R312-F335 HydrophobicContact CG-CE2 3.73Å; I333-F335 HydrophobicContact CB-CE2 3.95Å; I333-F335 HydrophobicContact CB-CZ 4.06Å; I333-F335 HydrophobicContact CG2-CD2 4.37Å; I333-F335 HydrophobicContact CG2-CE1 3.97Å; I333-F335 HydrophobicContact CG2-CE2 3.78Å; I333-F335 HydrophobicContact CG2-CZ 3.57Å; I333-F335 WeakPolarHBondContact O-CD2 3.2Å; I333-F335 WeakPolarHBondContact O-CE2 3.37Å
336D96.3Very high93.9Very high70 Ų7079.3 Ų79.337%0.37438%0.384SS..EExtended strand (participates in β ladder)trans-108.6114.4171.9-177.623.7000108T272 H273 K274 I275T272-D336 HydrophobicContact CG2-CB 4.19Å; H273-D336 PolarHBondContact O-N 2.99Å; K274-D336 WeakPolarHBondContact CA-O 3.3Å; K274-D336 HydrophobicContact CG-CB 4.21Å; I275-D336 PolarHBondContact N-O 3.39Å
337V96.1Very high93.7Very high10 Ų1075.1 Ų75.16%0.06138%0.376CS..EExtended strand (participates in β ladder)trans-92.1114.4-173.5-179.20000108.7I275 L277 A280 I306 P308 F339I275-V337 HydrophobicContact CD1-CG2 4.22Å; I275-V337 HydrophobicContact CG1-CG2 4.09Å; I275-V337 CarbonylContact O-C 3.49Å; I275-V337 WeakPolarHBondContact O-CA 3.3Å; L277-V337 HydrophobicContact CB-CG1 4.5Å; L277-V337 HydrophobicContact CD1-CG1 4.27Å; A280-V337 HydrophobicContact CB-CG1 3.91Å; A280-V337 HydrophobicContact CB-CG2 3.93Å; I306-V337 HydrophobicContact CG2-CG2 4.43Å; P308-V337 HydrophobicContact CB-CB 4.34Å; P308-V337 HydrophobicContact CB-CG2 4.37Å; P308-V337 HydrophobicContact CG-CB 4.07Å; P308-V337 HydrophobicContact CG-CG2 4.16Å; V337-F339 HydrophobicContact CG1-CE2 4.26Å; V337-F339 PolarHBondContact O-N 3.3Å
338Q95.3Very high93.4Very high105 Ų10578.4 Ų78.449%0.49139%0.392SS..EExtended strand (participates in β ladder)trans-83.6112.2176.2-61.1-166.2-42.400109.5K274 I275 L277K274-Q338 HydrophobicContact CB-CG 4.44Å; I275-Q338 PolarHBondContact O-N 2.89Å; L277-Q338 PolarHBondContact N-O 3.49Å
339F93.2Very high93.1Very high136 Ų13680.4 Ų80.460%0.59640%0.4SS*.PPolyproline II helixtrans-73.7147.9169-75.8-97.3000109.8L277 P308 V337L277-F339 HydrophobicContact CD1-CD1 4.42Å; L277-F339 HydrophobicContact CD1-CE1 3.9Å; L277-F339 HydrophobicContact CD1-CZ 4.2Å; L277-F339 HydrophobicContact CD2-CD1 3.98Å; L277-F339 HydrophobicContact CD2-CE1 4.05Å; P308-F339 HydrophobicContact CG-CE2 4.26Å; V337-F339 HydrophobicContact CG1-CE2 4.26Å; V337-F339 PolarHBondContact O-N 3.3Å
340P91.8Very high92.6Very high49 Ų4983.9 Ų83.932%0.31842%0.416SS..PPolyproline II helixtrans-64.4158.2174.429.7-35.8000111.2W344P340-W344 HydrophobicContact CB-CB 4.12Å; P340-W344 HydrophobicContact CB-CD2 3.67Å; P340-W344 HydrophobicContact CB-CE3 4.38Å; P340-W344 HydrophobicContact CB-CG 3.52Å; P340-W344 HydrophobicContact CG-CD2 3.93Å; P340-W344 VanDerWaalsContact CG-CE2 3.5Å; P340-W344 HydrophobicContact CG-CG 3.98Å; P340-W344 HydrophobicContact CG-CZ2 4.06Å; P340-W344 VanDerWaalsContact CG-NE1 3.25Å
341E91.6Very high92Very high168 Ų16885.9 Ų85.979%0.78543%0.43SS*.PPolyproline II helixtrans-65.2159.5179.9-63.4-177.9177.100112.4N343 W344E341-N343 PolarHBondContact O-N 3.17Å; E341-W344 VanDerWaalsContact O-CB 3.29Å; E341-W344 WeakPolarHBondContact O-CB 3.33Å; E341-W344 PolarHBondContact O-N 3.36Å
342N87.8Confident91.6Very high154 Ų15491.8 Ų91.882%0.82446%0.457SS*.THydrogen-bonded Turntrans-58.8138.6175.7-69-12.4000110.5W344N342-W344 PolarHBondContact O-N 3.34Å
343N87.1Confident91Very high157 Ų15792.5 Ų92.584%0.8446%0.463SS*.THydrogen-bonded Turntrans6123.7-178.4-50.4-52.9000115E341 I345E341-N343 PolarHBondContact O-N 3.17Å; N343-I345 PolarHBondContact O-N 3.07Å
344W88.4Confident90.4Very high147 Ų14796 Ų9656%0.55748%0.48SS*.  trans-62.8-20.1176.973.1-80000114.4P340 E341 N342 L353P340-W344 HydrophobicContact CB-CB 4.12Å; P340-W344 HydrophobicContact CB-CD2 3.67Å; P340-W344 HydrophobicContact CB-CE3 4.38Å; P340-W344 HydrophobicContact CB-CG 3.52Å; P340-W344 HydrophobicContact CG-CD2 3.93Å; P340-W344 VanDerWaalsContact CG-CE2 3.5Å; P340-W344 HydrophobicContact CG-CG 3.98Å; P340-W344 HydrophobicContact CG-CZ2 4.06Å; P340-W344 VanDerWaalsContact CG-NE1 3.25Å; E341-W344 VanDerWaalsContact O-CB 3.29Å; E341-W344 WeakPolarHBondContact O-CB 3.33Å; E341-W344 PolarHBondContact O-N 3.36Å; N342-W344 PolarHBondContact O-N 3.34Å; W344-L353 HydrophobicContact CZ2-CD2 4.45Å
345I89.8Confident90Very high38 Ų3897.5 Ų97.520%0.19549%0.493CS..SBendtrans-130.5145.1-178.2-167.4166.7000110.4N343 K349 L350N343-I345 PolarHBondContact O-N 3.07Å; I345-K349 HydrophobicContact CD1-CB 3.72Å; I345-K349 HydrophobicContact CG1-CB 3.74Å; I345-K349 HydrophobicContact CG1-CD 4.39Å; I345-L350 HydrophobicContact CG2-CD2 3.37Å; I345-L350 HydrophobicContact CG2-CG 4.01Å
346S89.4Confident89.5Confident51 Ų51105 Ų10536%0.35753%0.529SS..  trans-70149178.356.60000111.7E348 K349 L350S346-E348 PolarHBondContact O-N 2.97Å; S346-E348 VanDerWaalsContact O-N 3.15Å; S346-K349 PolarHBondContact O-N 2.79Å; S346-L350 PolarHBondContact O-N 3.42Å
347P87.9Confident89.1Confident105 Ų105105.7 Ų105.768%0.68253%0.533SS*.Hα-helixtrans-56.8-32.8-178.4-26.934.8000114.4K349 L350P347-K349 VanDerWaalsContact C-N 3.31Å; P347-K349 PolarHBondContact O-N 3.45Å; P347-L350 WeakPolarHBondContact O-CB 3.44Å; P347-L350 PolarHBondContact O-N 2.82Å
348E88.4Confident88.6Confident168 Ų168110.9 Ų110.979%0.78557%0.567SS**Hα-helixtrans-63-36.6179-62.1173.1-176.200112.4S346S346-E348 PolarHBondContact O-N 2.97Å; S346-E348 VanDerWaalsContact O-N 3.15Å
349K89.4Confident88.1Confident114 Ų114111.4 Ų111.450%0.49658%0.582SS.*Hα-helixtrans-84.7-10.7179.8-66.4-176.6176.9-175.80113.2I345 S346 P347 V351 E352 L353I345-K349 HydrophobicContact CD1-CB 3.72Å; I345-K349 HydrophobicContact CG1-CB 3.74Å; I345-K349 HydrophobicContact CG1-CD 4.39Å; S346-K349 PolarHBondContact O-N 2.79Å; P347-K349 VanDerWaalsContact C-N 3.31Å; P347-K349 PolarHBondContact O-N 3.45Å; K349-V351 PolarHBondContact O-N 3.02Å; K349-E352 PolarHBondContact O-N 3.29Å; K349-L353 PolarHBondContact O-N 3.28Å; K349-L353 VanDerWaalsContact O-N 3.17Å
350L86.1Confident87.6Confident81 Ų81113.8 Ų113.842%0.42459%0.587SS.*Hα-helixtrans-65.5-30.8173.2-72.3175.7000111.6I345 S346 P347 L353 E354I345-L350 HydrophobicContact CG2-CD2 3.37Å; I345-L350 HydrophobicContact CG2-CG 4.01Å; S346-L350 PolarHBondContact O-N 3.42Å; P347-L350 WeakPolarHBondContact O-CB 3.44Å; P347-L350 PolarHBondContact O-N 2.82Å; L350-L353 HydrophobicContact CD2-CD2 4.4Å; L350-L353 PolarHBondContact O-N 2.9Å; L350-E354 WeakPolarHBondContact O-CB 3.25Å; L350-E354 PolarHBondContact O-N 3.26Å
351V85.8Confident87.2Confident88 Ų88116.7 Ų116.753%0.53361%0.609SS.*Hα-helixtrans-64.2-45.5175.8-175.50000110.4K349 L353 E354 D355K349-V351 PolarHBondContact O-N 3.02Å; V351-L353 VanDerWaalsContact C-N 3.28Å; V351-L353 PolarHBondContact O-N 3.14Å; V351-E354 PolarHBondContact O-N 3.08Å; V351-D355 PolarHBondContact O-N 3.42Å; V351-D355 VanDerWaalsContact O-N 3.08Å
352E88.6Confident86.8Confident125 Ų125117.1 Ų117.158%0.58461%0.611SS**Hα-helixtrans-61.9-36.2175.6-63.1179-171.400112.2K349 M356K349-E352 PolarHBondContact O-N 3.29Å; E352-M356 WeakPolarHBondContact O-CG 3.36Å
353L86.7Confident86.5Confident64 Ų64115 Ų11534%0.33561%0.605SS.*Hα-helixtrans-69.5-39.5176.3-177.366.8000111.9W344 K349 L350 V351 D355 M356 L357W344-L353 HydrophobicContact CZ2-CD2 4.45Å; K349-L353 PolarHBondContact O-N 3.28Å; K349-L353 VanDerWaalsContact O-N 3.17Å; L350-L353 HydrophobicContact CD2-CD2 4.4Å; L350-L353 PolarHBondContact O-N 2.9Å; V351-L353 VanDerWaalsContact C-N 3.28Å; V351-L353 PolarHBondContact O-N 3.14Å; L353-D355 VanDerWaalsContact C-N 3.33Å; L353-M356 PolarHBondContact O-N 2.82Å; L353-L357 HydrophobicContact CD1-CD1 4.48Å; L353-L357 HydrophobicContact CG-CD1 4.16Å; L353-L357 WeakPolarHBondContact O-CG 3.09Å; L353-L357 PolarHBondContact O-N 2.82Å
354E85.2Confident86.4Confident77 Ų77112.9 Ų112.936%0.3660%0.6SS.*Hα-helixtrans-62.6-40.9177.7-174.7166.3-175.900111.4L350 V351 M356 L357 R360L350-E354 WeakPolarHBondContact O-CB 3.25Å; L350-E354 PolarHBondContact O-N 3.26Å; V351-E354 PolarHBondContact O-N 3.08Å; E354-M356 PolarHBondContact O-N 2.89Å; E354-L357 PolarHBondContact O-N 3.05Å; E354-R360 VanDerWaalsContact OE1-CD 3.24Å; E354-R360 WeakPolarHBondContact OE1-CD 3.25Å; E354-R360 IonicContact OE1-CZ 3.89Å; E354-R360 IonicContact OE1-NE 3.5Å; E354-R360 PolarHBondContact OE1-NE 3.39Å; E354-R360 IonicContact OE1-NH1 3.27Å; E354-R360 PolarHBondContact OE1-NH1 3.41Å; E354-R360 IonicContact OE1-NH2 4Å; E354-R360 PolarHBondContact OE1-NH2 2.86Å; E354-R360 IonicContact OE2-CZ 2.71Å; E354-R360 VanDerWaalsContact OE2-CZ 3.27Å; E354-R360 IonicContact OE2-NE 3.8Å; E354-R360 IonicContact OE2-NH1 3.85Å; E354-R360 IonicContact OE2-NH2 2.92Å; E354-R360 PolarHBondContact OE2-NH2 3.47Å
355D87.9Confident86Confident137 Ų137113 Ų11373%0.73361%0.61SS**Hα-helixtrans-62.9-26175.7-78.1-10.9000113.4V351 L353V351-D355 PolarHBondContact O-N 3.42Å; V351-D355 VanDerWaalsContact O-N 3.08Å; L353-D355 VanDerWaalsContact C-N 3.33Å
356M87Confident85.5Confident160 Ų160116.2 Ų116.279%0.78863%0.627SS**Hα-helixtrans-86.8-14.3178.7-67-169.3-174.500113.7E352 L353 E354E352-M356 WeakPolarHBondContact O-CG 3.36Å; L353-M356 PolarHBondContact O-N 2.82Å; E354-M356 PolarHBondContact O-N 2.89Å
357L87.6Confident84.8Confident86 Ų86119.4 Ų119.445%0.4564%0.644SS.*SBendtrans-100.4163.8-177.2-69.7176000111.4L353 E354L353-L357 HydrophobicContact CD1-CD1 4.48Å; L353-L357 HydrophobicContact CG-CD1 4.16Å; L353-L357 WeakPolarHBondContact O-CG 3.09Å; L353-L357 PolarHBondContact O-N 2.82Å; E354-L357 PolarHBondContact O-N 3.05Å
358P85.8Confident84.5Confident118 Ų118117.6 Ų117.677%0.76665%0.645SS**PPolyproline II helixtrans-56142.3173.3-23.133.6000111.5R360P358-R360 PolarHBondContact O-N 3.47Å
359S84.9Confident83.9Confident117 Ų117119.6 Ų119.682%0.81865%0.654SS**PPolyproline II helixtrans-55.2137.3-179.354.40000111.8
360R81.9Confident83.4Confident186 Ų186118 Ų11870%0.70265%0.654SS**PPolyproline II helixtrans-56.4140.6173.7-67.8-173.1178.2159.314.8110.5E354 P358E354-R360 VanDerWaalsContact OE1-CD 3.24Å; E354-R360 WeakPolarHBondContact OE1-CD 3.25Å; E354-R360 IonicContact OE1-CZ 3.89Å; E354-R360 IonicContact OE1-NE 3.5Å; E354-R360 PolarHBondContact OE1-NE 3.39Å; E354-R360 IonicContact OE1-NH1 3.27Å; E354-R360 PolarHBondContact OE1-NH1 3.41Å; E354-R360 IonicContact OE1-NH2 4Å; E354-R360 PolarHBondContact OE1-NH2 2.86Å; E354-R360 IonicContact OE2-CZ 2.71Å; E354-R360 VanDerWaalsContact OE2-CZ 3.27Å; E354-R360 IonicContact OE2-NE 3.8Å; E354-R360 IonicContact OE2-NH1 3.85Å; E354-R360 IonicContact OE2-NH2 2.92Å; E354-R360 PolarHBondContact OE2-NH2 3.47Å; P358-R360 PolarHBondContact O-N 3.47Å
361S83.8Confident83.3Confident110 Ų110122.9 Ų122.977%0.76967%0.674SS**PPolyproline II helixtrans-62.5140.9167.452.40000109.6
362E83.1Confident83.1Confident177 Ų177127.2 Ų127.283%0.82769%0.689SS**PPolyproline II helixtrans-56.2129.8176.6-68.1-179.2-178.900109.9
363P82.6Confident83.2Confident110 Ų110127.1 Ų127.171%0.71470%0.697SS**PPolyproline II helixtrans-60.4145175.425.9-32.4000109.1I365P363-I365 PolarHBondContact O-N 3.17Å
364P83.8Confident83.4Confident112 Ų112131.1 Ų131.173%0.72772%0.718SS**PPolyproline II helixtrans-58.6134.9-179.924.7-33.1000110.2I366P364-I366 PolarHBondContact O-N 3.39Å; P364-I366 VanDerWaalsContact O-N 3.08Å
365I80.8Confident83.5Confident149 Ų149136.1 Ų136.176%0.76475%0.747SS**  trans-69.9109172.9-53.7174.8000107P363 T367P363-I365 PolarHBondContact O-N 3.17Å; I365-T367 HydrophobicContact CG2-CG2 3.84Å; I365-T367 PolarHBondContact O-N 3.45Å
366I79.7Confident83.6Confident106 Ų106137.4 Ų137.454%0.54475%0.748SS.*  trans-73.2107.7177.2-61.4176.3000108.1P364 T370P364-I366 PolarHBondContact O-N 3.39Å; P364-I366 VanDerWaalsContact O-N 3.08Å; I366-T370 HydrophobicContact CG2-CG2 3.9Å; I366-T370 WeakPolarHBondContact CG2-OG1 3.33Å
367T75Confident83.6Confident118 Ų118137.5 Ų137.572%0.72475%0.752SS**  trans-120.7114.5174.5600000110.3I365I365-T367 HydrophobicContact CG2-CG2 3.84Å; I365-T367 PolarHBondContact O-N 3.45Å
368G80.2Confident83.7Confident67 Ų67143.1 Ų143.169%0.69177%0.768SS**SBendtrans121.3-170.5178.700000113.6T370G368-T370 PolarHBondContact O-N 3.25Å
369E75.8Confident83.7Confident209 Ų209141 Ų14198%0.97775%0.751SS**SBendtrans-79.7102.6168.3-69.2-178.1173.700108.7
370T79Confident83.5Confident81 Ų81138.9 Ų138.950%0.49774%0.741SS.*  trans-120.2137.2176.950.70000110.3I366 G368I366-T370 HydrophobicContact CG2-CG2 3.9Å; I366-T370 WeakPolarHBondContact CG2-OG1 3.33Å; G368-T370 PolarHBondContact O-N 3.25Å
371E83.5Confident83.3Confident183 Ų183134.5 Ų134.586%0.85574%0.738SS**  trans-87.2124.9175.5-65.6-179.417000110.1
372E83.1Confident82.4Confident179 Ų179136.2 Ų136.284%0.83673%0.734SS**  trans-80.9130.8171.1-67.3-179-178.500109.4
373V90.3Very high81Confident124 Ų124130.9 Ų130.975%0.75273%0.727SS**  trans-131136.9178.2-66.20000109.9
374D90.1Very high79.7Confident148 Ų148131.2 Ų131.279%0.79173%0.732SS**  trans-85132.2176.7-66.8-45.6000110.7Q376D374-Q376 PolarHBondContact O-N 3.31Å
375L88.1Confident78.3Confident182 Ų182131.1 Ų131.195%0.95373%0.734SS**  trans-73.8121.7170.8-167.772.2000108.9
376Q90.1Very high76.9Confident163 Ų163130.1 Ų130.176%0.76274%0.74SS**  trans-110.3157.2177-62.1-175.912.500110.8D374 Y378D374-Q376 PolarHBondContact O-N 3.31Å; Q376-Y378 PolarHBondContact O-N 2.85Å
377D86.3Confident75.4Confident163 Ų163128.7 Ų128.787%0.87275%0.751SS**  trans-59.8137172.2-71.5-32.5000110.4D379D377-D379 PolarHBondContact O-N 3.49Å
378Y89Confident73.9Confident203 Ų203128.2 Ų128.280%0.79675%0.753SS**  trans-74.3113.5178.1175.9-105000110.9Q376 A380Q376-Y378 PolarHBondContact O-N 2.85Å; Y378-A380 HydrophobicContact CE1-CB 3.79Å
379D86.2Confident72.2Confident73 Ų73137 Ų13739%0.3977%0.765SS.*  trans-97.8103.7171.9-175.7-3.3000110.7D377 S381 Q382D377-D379 PolarHBondContact O-N 3.49Å; D379-S381 VanDerWaalsContact CG-OG 3.23Å; D379-S381 PolarHBondContact O-N 2.83Å; D379-S381 VanDerWaalsContact O-N 3.09Å; D379-S381 WeakPolarHBondContact OD1-CB 3.18Å; D379-S381 PolarHBondContact OD1-N 3Å; D379-S381 PolarHBondContact OD1-OG 2.71Å; D379-S381 PolarHBondContact OD2-OG 2.9Å; D379-Q382 HydrophobicContact CB-CG 4.4Å; D379-Q382 PolarHBondContact O-N 3.46Å; D379-Q382 WeakPolarHBondContact OD2-CG 2.93Å; D379-Q382 PolarHBondContact OD2-NE2 3.44Å
380A81Confident70.4Confident74 Ų74137.9 Ų137.961%0.61276%0.76SS**THydrogen-bonded Turntrans-61.8-16.4179.500000113.7Y378Y378-A380 HydrophobicContact CE1-CB 3.79Å
381S78.1Confident68.5Low93 Ų93141.1 Ų141.165%0.6577%0.769SS**THydrogen-bonded Turntrans-83.8-15.9-177.974.40000114.4D379D379-S381 VanDerWaalsContact CG-OG 3.23Å; D379-S381 PolarHBondContact O-N 2.83Å; D379-S381 VanDerWaalsContact O-N 3.09Å; D379-S381 WeakPolarHBondContact OD1-CB 3.18Å; D379-S381 PolarHBondContact OD1-N 3Å; D379-S381 PolarHBondContact OD1-OG 2.71Å; D379-S381 PolarHBondContact OD2-OG 2.9Å
382Q63.9Low66.3Low146 Ų146137.1 Ų137.168%0.68277%0.767SS**SBendtrans-90.4-7.1-179.1-68.5-174.634.200113.7D379 S384D379-Q382 HydrophobicContact CB-CG 4.4Å; D379-Q382 PolarHBondContact O-N 3.46Å; D379-Q382 WeakPolarHBondContact OD2-CG 2.93Å; D379-Q382 PolarHBondContact OD2-NE2 3.44Å; Q382-S384 PolarHBondContact O-N 3.35Å
383G55.5Low64.3Low65 Ų65138.4 Ų138.467%0.6777%0.766SS**THydrogen-bonded Turntrans-88.154.2-17500000115.4
384S54.5Low62Low118 Ų118140.1 Ų140.183%0.82577%0.771SS**THydrogen-bonded Turntrans-162.829.6165.468.70000116.6Q382Q382-S384 PolarHBondContact O-N 3.35Å
385S54.3Low59.5Low109 Ų109140.5 Ų140.576%0.76277%0.773SS**  trans-125.25.5-178.164.90000116.7G387S385-G387 PolarHBondContact O-N 2.91Å
386S51.8Low57.3Low129 Ų129136.3 Ų136.390%0.90276%0.758SS**  trans-96.968.5176670000112
387G47.9Very low54.9Low75 Ų75133.4 Ų133.477%0.77376%0.756SS**  trans-16338.4-178.700000114.7S385S385-G387 PolarHBondContact O-N 2.91Å
388S42.4Very low52.6Low109 Ų109132.4 Ų132.476%0.76275%0.751SS**  trans-15469166.2-145.40000111.4R390S388-R390 VanDerWaalsContact C-N 3.32Å; S388-R390 PolarHBondContact O-N 2.89Å
389R45.3Very low50.2Low250 Ų250129.1 Ų129.194%0.94375%0.747SS**  trans-78.790.8152.3-82-173.8-175.8173.12.5106.7
390R38.8Very low47.9Very low229 Ų229133.7 Ų133.786%0.86477%0.766SS**  trans-95.499.1162-151.1170.6-172.5175.60.9106.1S388 A392S388-R390 VanDerWaalsContact C-N 3.32Å; S388-R390 PolarHBondContact O-N 2.89Å; R390-A392 PolarHBondContact O-N 2.96Å; R390-A392 VanDerWaalsContact O-N 3.13Å
391E38.6Very low45.8Very low149 Ų149135.8 Ų135.870%0.69678%0.776SS**  trans-60110.2168.9-69.9-179.8160.700108Y393E391-Y393 HydrophobicContact CB-CD2 4.23Å; E391-Y393 HydrophobicContact CB-CE2 4.12Å; E391-Y393 PolarHBondContact O-N 3.1Å
392A37.9Very low43.7Very low98 Ų98134.9 Ų134.981%0.8178%0.782SS**  trans-87.289170.200000107.8R390 N394R390-A392 PolarHBondContact O-N 2.96Å; R390-A392 VanDerWaalsContact O-N 3.13Å; A392-N394 PolarHBondContact O-N 3.11Å
393Y41.2Very low42.4Very low206 Ų206135.9 Ų135.981%0.80879%0.786SS**  trans-74.7111160.1-76.7-78.4000108.1E391E391-Y393 HydrophobicContact CB-CD2 4.23Å; E391-Y393 HydrophobicContact CB-CE2 4.12Å; E391-Y393 PolarHBondContact O-N 3.1Å
394N41.2Very low41.6Very low160 Ų160141.5 Ų141.586%0.85680%0.795SS**  trans-92.4111.2164.8-167.132000106.3A392A392-N394 PolarHBondContact O-N 3.11Å
395D37.7Very low40.6Very low156 Ų156139.5 Ų139.583%0.83479%0.793SS**  trans-151.6140156.1-160.827.6000110.9
396S41.9Very low39.7Very low94 Ų94144.1 Ų144.166%0.65780%0.802SS**  trans-76.4156.6-162-64.70000115.1
397S39.4Very low38.8Very low103 Ų103141 Ų14172%0.7279%0.791SS**  147.1131.2109.1-820000113.7
398D38.9Very low38.4Very low141 Ų141144.4 Ų144.475%0.75480%0.796SS**  trans54.4138.6149.3-62.9-20.3000118.8
399D37.1Very low38.6Very low134 Ų134148 Ų14872%0.71780%0.801SS**  cis-170.8161.825.4-130.1-31.6000111
400E38.3Very low38.3Very low169 Ų169142.4 Ų142.479%0.7980%0.799SS**  trans25.8126.9160.7-61.4-156.9113.200123.6
401S36.7Very low38.6Very low118 Ų118135.8 Ų135.883%0.82579%0.793SS**  155.2137.19552.30000114.5
402G33.9Very low38.6Very low75 Ų75137 Ų13777%0.77380%0.798SS**  trans92.884135.800000121.1
403H37.9Very low38.9Very low167 Ų167143.7 Ų143.777%0.77381%0.813SS**  trans30.6145.5131.1-87.825.1000124.9
404H36.8Very low38.8Very low182 Ų182140.6 Ų140.684%0.84381%0.813SS**  trans85.7131.3162.3-50.8-67.8000116.2
405G33.8Very low38.7Very low76 Ų76139.5 Ų139.578%0.78481%0.811SS**  cis-178.11757.400000111.3
406Q36.9Very low38.7Very low206 Ų206138.6 Ų138.696%0.96381%0.809SS**  trans-33.6148175.6-102.2163.120.800118
407G32.9Very low38.5Very low64 Ų64141.2 Ų141.266%0.6682%0.818SS**  139.9107.6123.400000119.5
408V38.9Very low38.5Very low147 Ų147143.6 Ų143.689%0.89183%0.825SS**  trans78123.6131.2-152.10000120.2
409Q47Very low38.5Very low183 Ų183143.8 Ų143.886%0.85583%0.829SS**  trans-67147.6165.9-64.5170-29.300112.1
410C39.5Very low38.6Very low134 Ų134144.5 Ų144.591%0.90584%0.837SS**  trans-146.8128.5149.2-90.60000110.5
411A43Very low38.6Very low90 Ų90142.6 Ų142.674%0.74484%0.841SS**  trans-85.6149.5164.800000110.4
412H39.6Very low38.7Very low174 Ų174144.7 Ų144.781%0.80684%0.842SS**  trans166.9141149-94.7-19.5000106.8
413Q44.6Very low39.2Very low238 Ų238151 Ų151100%1.11285%0.849SS**  cis-15903.8-144.5167.482.600106.5

Retrieved 413 of 413 residues in 390.8 ms (Link to these results)

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