A0A087Y4B8_POEFO Loading...

Copine-3

Calcium-dependent phospholipid-binding protein that plays a role in ERBB2-mediated tumor cell migration in response to growth factor heregulin stimulation.

AlphaFold DB , UniProt , Accession A0A087Y4B8, Species POEFO (Poecilia formosa, Amazon molly), Gene CPNE3, Length 541 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
1M30.5Very low27.5Very low251 Ų251140.6 Ų140.6100%1.23680%0.796SS**  090.20-68.6-179.1-163.700106.8
2A25.4Very low28.5Very low87 Ų87134 Ų13472%0.71976%0.761SS**  trans-106.9112.5168.400000104.9F4A2-F4 PolarHBondContact O-N 3.44Å
3S24Very low29.4Very low108 Ų108136.2 Ų136.276%0.75577%0.769SS**  trans-65109.1171.243.70000107.4E5S3-E5 VanDerWaalsContact C-N 3.26Å; S3-E5 PolarHBondContact O-N 2.57Å
4F26.3Very low30.8Very low203 Ų203131.9 Ų131.989%0.8975%0.751SS**  trans-65.195.8160.5-89.2-95.5000106.4A2 A6A2-F4 PolarHBondContact O-N 3.44Å; F4-A6 PolarHBondContact O-N 2.79Å
5E27.2Very low33.1Very low165 Ų165127.4 Ų127.477%0.77173%0.727SS**PPolyproline II helixtrans-61.8124161.8-79180152.600106.8S3S3-E5 VanDerWaalsContact C-N 3.26Å; S3-E5 PolarHBondContact O-N 2.57Å
6A28.7Very low36.1Very low81 Ų81120.6 Ų120.667%0.66969%0.688SS**PPolyproline II helixtrans-53.4137.4167.400000107.8F4 Q8F4-A6 PolarHBondContact O-N 2.79Å; A6-Q8 PolarHBondContact O-N 2.87Å
7P28.4Very low39.2Very low108 Ų108119.4 Ų119.470%0.70167%0.674SS**PPolyproline II helixtrans-53.2119.8177.420.5-30.2000108.1
8Q24.6Very low42.2Very low170 Ų170112.7 Ų112.779%0.79464%0.636SS**PPolyproline II helixtrans-58.8129.5170.8-71.9-170.8-5.800106.7A6 K10A6-Q8 PolarHBondContact O-N 2.87Å; Q8-K10 PolarHBondContact O-N 3.16Å; Q8-K10 VanDerWaalsContact O-N 3.09Å
9P29.2Very low44.9Very low118 Ų118106.8 Ų106.877%0.76660%0.603SS**PPolyproline II helixtrans-53.6125.2173.120.5-29.1000107.2A11P9-A11 PolarHBondContact O-N 2.89Å
10K29.8Very low47.5Very low169 Ų169101.5 Ų101.574%0.73557%0.572SS**PPolyproline II helixtrans-49.2117.6164.7-76.6173.5-175.7158.20104.8Q8 T12Q8-K10 PolarHBondContact O-N 3.16Å; Q8-K10 VanDerWaalsContact O-N 3.09Å; K10-T12 PolarHBondContact O-N 3.43Å
11A28.9Very low49.8Very low87 Ų8798.5 Ų98.572%0.71956%0.555SS**  trans-50.1112-178.700000108.1P9 D13P9-A11 PolarHBondContact O-N 2.89Å; A11-D13 PolarHBondContact O-N 3.42Å
12T38.5Very low53Low61 Ų6186.8 Ų86.837%0.37450%0.498SS..  trans-66.5102.117330.40000106.4K10 C14 A517K10-T12 PolarHBondContact O-N 3.43Å; T12-C14 PolarHBondContact O-N 3.17Å; T12-A517 HydrophobicContact CG2-CB 4.24Å
13D40.1Very low56.4Low163 Ų16383.7 Ų83.787%0.87247%0.472SS*.SBendtrans-64.417173.3-86.8-26.6000113.1A11A11-D13 PolarHBondContact O-N 3.42Å
14C49.9Very low59.9Low76 Ų7678.6 Ų78.651%0.51444%0.436SS..  trans-10537.8-179.1-71.50000112.9T12 T16T12-C14 PolarHBondContact O-N 3.17Å; C14-T16 PolarHBondContact O-N 3.36Å; C14-T16 VanDerWaalsContact O-N 3.17Å
15V64.9Low63.2Low64 Ų6471.9 Ų71.939%0.38841%0.41SS..  trans-79.198.2165.3-173.90000108.3D75 Y77V15-D75 HydrophobicContact CG1-CB 3.62Å; V15-Y77 HydrophobicContact CB-CE1 4.38Å; V15-Y77 HydrophobicContact CG1-CE1 4.04Å; V15-Y77 HydrophobicContact CG1-CE2 4.46Å; V15-Y77 HydrophobicContact CG2-CD1 4.14Å; V15-Y77 HydrophobicContact CG2-CE1 3.45Å; V15-Y77 VanDerWaalsContact CG2-CE1 3.45Å
16T81.2Confident66.4Low18 Ų1868.6 Ų68.611%0.1140%0.397CS..EExtended strand (participates in β ladder)trans-88.9144.1174-64.90000110C14 Y76 E143 L289C14-T16 PolarHBondContact O-N 3.36Å; C14-T16 VanDerWaalsContact O-N 3.17Å; T16-Y76 WeakPolarHBondContact O-CB 2.83Å; T16-Y76 PolarHBondContact O-N 3.29Å; T16-E143 HydrophobicContact CG2-CG 3.25Å; T16-E143 WeakPolarHBondContact CG2-OE1 3.36Å; T16-L289 HydrophobicContact CG2-CD1 3.92Å
17K89.2Confident69.5Low100 Ų10065 Ų6544%0.43537%0.367SS..EExtended strand (participates in β ladder)trans-88.6136.8170.4-71.1-174.2-178-64.40110.7V73 L74 D75 R144K17-V73 HydrophobicContact CB-CG1 4.17Å; K17-V73 HydrophobicContact CD-CG1 4.27Å; K17-L74 WeakPolarHBondContact CA-O 3.27Å; K17-D75 WeakPolarHBondContact CG-OD1 3.47Å; K17-D75 IonicContact NZ-OD1 3.79Å; K17-D75 PolarHBondContact NZ-OD1 2.98Å; K17-R144 HydrophobicContact CB-CB 3.99Å; K17-R144 PolarHBondContact O-N 3.24Å
18V92.4Very high72.4Confident0 Ų061.7 Ų61.70%034%0.343CS..EExtended strand (participates in β ladder)trans-114.8136.8173.2175.60000108.7L20 V73 L74 Y76 L111 V115 A141 E142 L289 M293V18-L20 HydrophobicContact CG1-CD2 3.89Å; V18-V73 VanDerWaalsContact O-CA 3.32Å; V18-V73 WeakPolarHBondContact O-CA 2.79Å; V18-L74 HydrophobicContact CB-CD2 4.29Å; V18-L74 PolarHBondContact N-O 2.67Å; V18-L74 WeakPolarHBondContact O-CD2 3.46Å; V18-L74 PolarHBondContact O-N 2.81Å; V18-Y76 HydrophobicContact CG2-CG 4.33Å; V18-L111 HydrophobicContact CG1-CD1 4.32Å; V18-V115 HydrophobicContact CG1-CG1 4.29Å; V18-V115 HydrophobicContact CG2-CG1 4.3Å; V18-A141 HydrophobicContact CG1-CB 3.88Å; V18-E142 CarbonylContact C-O 3.37Å; V18-E142 WeakPolarHBondContact CA-O 3.45Å; V18-L289 HydrophobicContact CG2-CD1 3.69Å; V18-M293 HydrophobicContact CG1-CE 4.47Å; V18-M293 HydrophobicContact CG2-CE 4.43Å
19A94Very high75.3Confident0 Ų057.6 Ų57.60%033%0.327CS..EExtended strand (participates in β ladder)trans-103.2130.1169.400000109.9V73 A141 E142 R144A19-V73 HydrophobicContact CB-CG2 4.14Å; A19-A141 WeakPolarHBondContact O-CA 3.42Å; A19-E142 PolarHBondContact N-O 3.17Å; A19-E142 PolarHBondContact O-N 3.35Å; A19-R144 HydrophobicContact CB-CG 3.62Å
20L95.8Very high77.8Confident0 Ų055.7 Ų55.70%031%0.308CS..EExtended strand (participates in β ladder)trans-103.2119.4176.4-55-179.1000109.4V18 S71 I72 L74 L84 F86 L111 I114 I139 C140 A141V18-L20 HydrophobicContact CG1-CD2 3.89Å; L20-S71 VanDerWaalsContact O-CA 3.29Å; L20-S71 WeakPolarHBondContact O-CA 3.32Å; L20-I72 HydrophobicContact CB-CB 4.47Å; L20-I72 PolarHBondContact N-O 3.39Å; L20-I72 PolarHBondContact O-N 3.38Å; L20-L74 HydrophobicContact CD1-CD2 3.91Å; L20-L74 HydrophobicContact CG-CD2 3.91Å; L20-L84 HydrophobicContact CD1-CD1 3.85Å; L20-F86 HydrophobicContact CD1-CE1 4.42Å; L20-F86 HydrophobicContact CD1-CZ 4.21Å; L20-L111 HydrophobicContact CD2-CD1 4.07Å; L20-I114 HydrophobicContact CD2-CD1 4.47Å; L20-I114 HydrophobicContact CD2-CG2 4.15Å; L20-I139 HydrophobicContact CB-CG2 4.38Å; L20-I139 HydrophobicContact CD2-CG2 4.29Å; L20-C140 WeakPolarHBondContact CA-O 3.25Å; L20-A141 HydrophobicContact CD2-CB 4.05Å
21N96.1Very high79.8Confident40 Ų4049.5 Ų49.521%0.21428%0.284CS..EExtended strand (participates in β ladder)trans-99.8129.9171.9-64-41.4000108.7S71 I139 C140 E142N21-S71 WeakPolarHBondContact OD1-CB 3.28Å; N21-S71 PolarHBondContact OD1-OG 2.98Å; N21-I139 WeakPolarHBondContact O-CA 3.31Å; N21-C140 HydrophobicContact CB-CB 4.31Å; N21-C140 PolarHBondContact N-O 2.85Å; N21-C140 PolarHBondContact O-N 3.31Å; N21-E142 PolarHBondContact ND2-OE1 3.43Å
22I97.8Very high81.6Confident5 Ų549.6 Ų49.63%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-119136.3-170.2-56.3167.3000109.3V42 T57 F68 I72 F86 I137I22-V42 HydrophobicContact CD1-CG2 3.81Å; I22-T57 HydrophobicContact CD1-CG2 4.11Å; I22-F68 HydrophobicContact CB-CD2 4.08Å; I22-F68 HydrophobicContact CG2-CD2 3.97Å; I22-F68 HydrophobicContact CG2-CE2 4.27Å; I22-F68 WeakPolarHBondContact O-CD2 3.35Å; I22-F68 PolarHBondContact O-N 2.98Å; I22-F68 VanDerWaalsContact O-N 3.08Å; I22-I72 HydrophobicContact CD1-CG1 4.23Å; I22-F86 HydrophobicContact CD1-CD1 3.91Å; I22-F86 HydrophobicContact CD1-CE1 3.91Å; I22-F86 HydrophobicContact CG1-CE1 4.33Å; I22-I137 HydrophobicContact CG2-CD1 4.01Å; I22-I137 HydrophobicContact CG2-CG1 4.14Å
23A97.1Very high82.9Confident22 Ų2256.8 Ų56.818%0.18231%0.311CS..EExtended strand (participates in β ladder)trans-139.5154168.600000109.6P66 K67 T138A23-P66 CarbonylContact C-O 3.55Å; A23-P66 VanDerWaalsContact CA-O 3.25Å; A23-P66 WeakPolarHBondContact CA-O 3.37Å; A23-K67 HydrophobicContact CB-CG 4.11Å; A23-T138 PolarHBondContact N-O 2.76Å; A23-T138 PolarHBondContact O-N 3.3Å
24C97.3Very high84.7Confident0 Ų051.3 Ų51.30%029%0.285CS..EExtended strand (participates in β ladder)trans-130.6158173.1-56.10000110.4L27 N65 P66 T136C24-L27 HydrophobicContact CB-CD1 3.99Å; C24-L27 HydrophobicContact CB-CD2 3.73Å; C24-L27 HydrophobicContact CB-CG 3.89Å; C24-N65 CarbonylContact O-C 3.47Å; C24-N65 WeakPolarHBondContact O-CA 3.45Å; C24-P66 HydrophobicContact CB-CG 3.82Å; C24-P66 PolarHBondContact N-O 3.15Å; C24-T136 CarbonylContact C-O 3.52Å; C24-T136 WeakPolarHBondContact CA-O 3.29Å; C24-T136 VanDerWaalsContact CB-O 3.29Å; C24-T136 WeakPolarHBondContact CB-O 3.45Å
25D96.1Very high86.2Confident63 Ų6352.8 Ų52.834%0.33728%0.283SS..EExtended strand (participates in β ladder)trans-134.7146.5174.8-61.8-80.8000109.5L27 N65 G135 T136D25-L27 PolarHBondContact O-N 2.63Å; D25-N65 VanDerWaalsContact CA-OD1 3.28Å; D25-N65 WeakPolarHBondContact CA-OD1 3.47Å; D25-G135 CarbonylContact O-C 3.55Å; D25-G135 VanDerWaalsContact O-CA 3.31Å; D25-G135 WeakPolarHBondContact O-CA 3.17Å; D25-T136 PolarHBondContact N-O 3.49Å; D25-T136 PolarHBondContact O-N 3.35Å
26D94.6Very high87.2Confident95 Ų9549.7 Ų49.751%0.50826%0.264SS..SBendtrans54.241.1176.6-64.5-41.5000115.1L64 N65 K134 G135D26-L64 PolarHBondContact N-O 2.84Å; D26-N65 PolarHBondContact N-OD1 2.91Å; D26-K134 HydrophobicContact CB-CB 4.12Å; D26-G135 WeakPolarHBondContact O-CA 3.48Å; D26-G135 PolarHBondContact O-N 3.08Å; D26-G135 VanDerWaalsContact O-N 3.15Å
27L94.3Very high87.6Confident7 Ų749.5 Ų49.54%0.03726%0.262CS..  trans-59155.4175.2-65.2-177.4000112.3C24 D25 P38 L64 P66 L104 L124C24-L27 HydrophobicContact CB-CD1 3.99Å; C24-L27 HydrophobicContact CB-CD2 3.73Å; C24-L27 HydrophobicContact CB-CG 3.89Å; D25-L27 PolarHBondContact O-N 2.63Å; L27-P38 HydrophobicContact CD1-CB 3.63Å; L27-P38 HydrophobicContact CD1-CG 4.02Å; L27-L64 HydrophobicContact CB-CB 4.46Å; L27-L64 HydrophobicContact CB-CD2 4.44Å; L27-L64 WeakPolarHBondContact CG-O 3.36Å; L27-L64 PolarHBondContact N-O 3.04Å; L27-P66 HydrophobicContact CD1-CG 3.7Å; L27-L104 HydrophobicContact CD1-CD1 4.28Å; L27-L124 HydrophobicContact CD2-CD1 3.42Å; L27-L124 VanDerWaalsContact CD2-CD1 3.42Å
28L87.9Confident87.8Confident37 Ų3744.8 Ų44.819%0.19424%0.242CC..  trans-60.8141.6173.2-68.6174.2000110M30 S36 L104 A132L28-M30 HydrophobicContact CB-CE 3.83Å; L28-M30 HydrophobicContact CB-SD 4.4Å; L28-M30 HydrophobicContact CD1-CE 3.53Å; L28-M30 HydrophobicContact CG-CE 4.3Å; L28-S36 PolarHBondContact O-OG 2.74Å; L28-S36 VanDerWaalsContact O-OG 3.11Å; L28-L104 HydrophobicContact CB-CD2 4.15Å; L28-A132 HydrophobicContact CD1-CB 4.33Å
29D86.8Confident87.9Confident85 Ų8545.9 Ų45.946%0.45525%0.247SC..  trans-98.5104.8174.7-160.51.8000107.9K35 L64D29-K35 WeakPolarHBondContact OD1-CA 3.17Å; D29-L64 HydrophobicContact CB-CD1 4.22Å; D29-L64 HydrophobicContact CB-CD2 4.26Å
30M80.9Confident88Confident77 Ų7745.9 Ų45.938%0.37925%0.247SC..  trans-96.8-13.7-177.9-61.3-59.8-166.600112.7L28 S36 D102 L104L28-M30 HydrophobicContact CB-CE 3.83Å; L28-M30 HydrophobicContact CB-SD 4.4Å; L28-M30 HydrophobicContact CD1-CE 3.53Å; L28-M30 HydrophobicContact CG-CE 4.3Å; M30-S36 PolarHBondContact N-OG 2.93Å; M30-S36 VanDerWaalsContact N-OG 3.14Å; M30-D102 HydrophobicContact CB-CB 4.27Å; M30-D102 HydrophobicContact CG-CB 4.24Å; M30-L104 HydrophobicContact CE-CD2 4.33Å; M30-L104 HydrophobicContact CG-CD2 3.59Å
31D72Confident88Confident40 Ų4046 Ų4621%0.21425%0.248CC..  trans-83.6135.6-178.3-89.5-17.7000112.7S34 K35D31-S34 WeakPolarHBondContact CB-O 3.49Å; D31-S34 WeakPolarHBondContact CB-OG 3.15Å; D31-S34 WeakPolarHBondContact OD2-CB 3.02Å; D31-S34 PolarHBondContact OD2-OG 2.99Å; D31-K35 VanDerWaalsContact OD2-O 3.14Å
32A66.9Low88.1Confident88 Ų8844.1 Ų44.173%0.72724%0.238SC*.SBendtrans-74.9-25.6-179.300000113.8
33F65.2Low88.1Confident213 Ų21345 Ų4593%0.93424%0.242SC*.SBendtrans-134.3-0.5-173-58.9-72.9000114.1
34S77.3Confident88Confident48 Ų4844.4 Ų44.434%0.33624%0.236SC..SBendtrans-137.8-177.7-179.133.90000109.4D31 N62D31-S34 WeakPolarHBondContact CB-O 3.49Å; D31-S34 WeakPolarHBondContact CB-OG 3.15Å; D31-S34 WeakPolarHBondContact OD2-CB 3.02Å; D31-S34 PolarHBondContact OD2-OG 2.99Å; S34-N62 WeakPolarHBondContact CB-OD1 3.15Å
35K81.6Confident87.8Confident106 Ų10645.3 Ų45.346%0.46124%0.241SC..  trans-97.5153.1165.2-68.6172.8179.71780108.3D29 D31 N62 L64D29-K35 WeakPolarHBondContact OD1-CA 3.17Å; D31-K35 VanDerWaalsContact OD2-O 3.14Å; K35-N62 HydrophobicContact CB-CB 4.36Å; K35-N62 WeakPolarHBondContact CD-O 3.18Å; K35-N62 PolarHBondContact N-OD1 3.09Å; K35-N62 WeakPolarHBondContact O-CA 3.13Å; K35-N62 PolarHBondContact O-OD1 2.93Å; K35-L64 HydrophobicContact CB-CD2 4.28Å; K35-L64 HydrophobicContact CB-CG 4.29Å; K35-L64 HydrophobicContact CD-CG 4.27Å; K35-L64 HydrophobicContact CG-CG 4.27Å
36S87.1Confident87Confident0 Ų043.8 Ų43.80%024%0.235CC..  trans-49.1147.5171.9-650000114.5L28 M30 P38 C63 D90L28-S36 PolarHBondContact O-OG 2.74Å; L28-S36 VanDerWaalsContact O-OG 3.11Å; M30-S36 PolarHBondContact N-OG 2.93Å; M30-S36 VanDerWaalsContact N-OG 3.14Å; S36-P38 WeakPolarHBondContact O-CD 3.22Å; S36-C63 PolarHBondContact O-N 3.33Å; S36-D90 WeakPolarHBondContact CA-OD1 3.47Å; S36-D90 VanDerWaalsContact CA-OD2 3.26Å; S36-D90 WeakPolarHBondContact CA-OD2 3.47Å; S36-D90 VanDerWaalsContact CB-CG 3.48Å; S36-D90 WeakPolarHBondContact CB-OD2 3.3Å; S36-D90 PolarHBondContact OG-OD2 3.15Å
37D89.6Confident86.1Confident14 Ų1443 Ų438%0.07524%0.237CC..  trans-103.772.5176-78.70.1000110.8K59 I60 Q61 N62 D90 I91D37-K59 HydrophobicContact CB-CD 3.93Å; D37-K59 HydrophobicContact CB-CG 4.1Å; D37-K59 IonicContact OD2-NZ 2.75Å; D37-K59 PolarHBondContact OD2-NZ 2.86Å; D37-I60 CarbonylContact C-O 3.47Å; D37-I60 VanDerWaalsContact CA-O 3.28Å; D37-I60 WeakPolarHBondContact CA-O 3.32Å; D37-Q61 WeakPolarHBondContact OD1-CA 3.16Å; D37-N62 PolarHBondContact OD1-N 3.08Å; D37-D90 WeakPolarHBondContact CA-OD1 3.44Å; D37-D90 PolarHBondContact N-OD1 2.65Å; D37-I91 PolarHBondContact O-N 3.1Å; D37-I91 VanDerWaalsContact O-N 3.08Å
38P93.1Very high85.2Confident0 Ų045 Ų450%026%0.26CS..EExtended strand (participates in β ladder)trans-68144-16928.3-40.6000114.6L27 S36 I60 C63 P66 F68 Y89 L104L27-P38 HydrophobicContact CD1-CB 3.63Å; L27-P38 HydrophobicContact CD1-CG 4.02Å; S36-P38 WeakPolarHBondContact O-CD 3.22Å; P38-I60 WeakPolarHBondContact CD-O 3.32Å; P38-I60 PolarHBondContact O-N 2.97Å; P38-I60 VanDerWaalsContact O-N 3.11Å; P38-C63 WeakPolarHBondContact CD-O 3.45Å; P38-C63 WeakPolarHBondContact CG-O 3.04Å; P38-P66 HydrophobicContact CB-CG 4.06Å; P38-P66 HydrophobicContact CG-CB 3.72Å; P38-P66 HydrophobicContact CG-CG 3.61Å; P38-F68 HydrophobicContact CB-CZ 4.31Å; P38-Y89 CarbonylContact C-O 3.54Å; P38-Y89 VanDerWaalsContact CA-O 3.31Å; P38-Y89 WeakPolarHBondContact CA-O 3.33Å; P38-L104 HydrophobicContact CB-CD1 4.08Å
39M94.7Very high84.8Confident23 Ų2348.2 Ų48.211%0.11328%0.283CS..EExtended strand (participates in β ladder)trans-136.2140.4165.2-178.1-179.868.400109.8V41 R56 L88 Y89 I91M39-V41 HydrophobicContact CE-CG2 4.2Å; M39-R56 HydrophobicContact SD-CB 4.24Å; M39-L88 WeakPolarHBondContact O-CA 3.08Å; M39-Y89 PolarHBondContact N-O 2.86Å; M39-Y89 PolarHBondContact O-N 3.23Å; M39-I91 HydrophobicContact CB-CG1 3.8Å; M39-I91 HydrophobicContact CE-CD1 3.74Å; M39-I91 HydrophobicContact CE-CG1 3.94Å; M39-I91 HydrophobicContact SD-CG1 4.5Å
40C96.3Very high84.7Confident0 Ų051.1 Ų51.10%029%0.294CS..EExtended strand (participates in β ladder)trans-102.7126.6174.9-170.40000111R56 T57 F68 E87 L88C40-R56 CarbonylContact O-C 3.17Å; C40-R56 VanDerWaalsContact O-CA 3.26Å; C40-R56 WeakPolarHBondContact O-CA 3.43Å; C40-T57 HydrophobicContact CB-CG2 3.85Å; C40-T57 PolarHBondContact N-OG1 3.26Å; C40-T57 PolarHBondContact O-N 3.49Å; C40-F68 HydrophobicContact CB-CE2 4.27Å; C40-E87 WeakPolarHBondContact CA-O 3.42Å; C40-L88 HydrophobicContact CB-CD1 3.62Å
41V96.3Very high85.3Confident4 Ų450.9 Ų50.92%0.02429%0.289CS..EExtended strand (participates in β ladder)trans-99.4132.7168.3-178.10000108.3M39 L43 E53 R56 E87 Y89M39-V41 HydrophobicContact CE-CG2 4.2Å; V41-L43 HydrophobicContact CG1-CD2 4.47Å; V41-E53 HydrophobicContact CG1-CG 3.84Å; V41-R56 HydrophobicContact CG1-CG 4.37Å; V41-R56 HydrophobicContact CG2-CG 4.04Å; V41-E87 PolarHBondContact N-O 3.3Å; V41-E87 PolarHBondContact O-N 2.87Å; V41-Y89 HydrophobicContact CB-CD2 4.45Å; V41-Y89 HydrophobicContact CB-CE2 4.22Å; V41-Y89 HydrophobicContact CG2-CD2 3.82Å; V41-Y89 HydrophobicContact CG2-CE2 3.93Å
42V97.4Very high86.3Confident0 Ų054.2 Ų54.20%030%0.299CS..EExtended strand (participates in β ladder)trans-114.6124.5179-170.30000109.8I22 I54 G55 I72 L84 R85 F86I22-V42 HydrophobicContact CD1-CG2 3.81Å; V42-I54 HydrophobicContact CB-CD1 4.41Å; V42-I54 HydrophobicContact CB-CG1 4.03Å; V42-I54 HydrophobicContact CG1-CD1 3.78Å; V42-I54 HydrophobicContact CG1-CG1 3.87Å; V42-I54 VanDerWaalsContact O-CG1 3.31Å; V42-I54 WeakPolarHBondContact O-CG1 3.35Å; V42-I54 PolarHBondContact O-N 3.31Å; V42-G55 PolarHBondContact N-O 2.95Å; V42-I72 HydrophobicContact CB-CG2 4.4Å; V42-I72 HydrophobicContact CG2-CG1 3.92Å; V42-L84 HydrophobicContact CG1-CD2 4.27Å; V42-R85 WeakPolarHBondContact CA-O 3.21Å; V42-F86 HydrophobicContact CG1-CD1 4.19Å; V42-F86 HydrophobicContact CG1-CE1 3.96Å; V42-F86 HydrophobicContact CG1-CZ 4.38Å; V42-F86 HydrophobicContact CG2-CD1 3.77Å; V42-F86 HydrophobicContact CG2-CE1 3.97Å
43L96.8Very high87.7Confident22 Ų2254 Ų5412%0.11528%0.283CS..EExtended strand (participates in β ladder)trans-112.1142.9179.7-56.7161.1000109.8V41 W51 Y52 E53 L84 R85 E87V41-L43 HydrophobicContact CG1-CD2 4.47Å; L43-W51 HydrophobicContact CB-CB 4.31Å; L43-W51 HydrophobicContact CB-CE3 3.89Å; L43-Y52 CarbonylContact C-O 3.57Å; L43-Y52 VanDerWaalsContact CA-O 3.27Å; L43-Y52 WeakPolarHBondContact CA-O 3.23Å; L43-E53 HydrophobicContact CD2-CB 3.98Å; L43-L84 WeakPolarHBondContact O-CA 3.36Å; L43-R85 HydrophobicContact CB-CB 4.25Å; L43-R85 HydrophobicContact CD1-CB 4.39Å; L43-R85 HydrophobicContact CD1-CG 4.5Å; L43-R85 PolarHBondContact N-O 2.81Å; L43-R85 PolarHBondContact O-N 3.01Å; L43-E87 HydrophobicContact CD1-CG 4.19Å; L43-E87 WeakPolarHBondContact CD1-OE1 3.42Å
44L95.8Very high89.1Confident11 Ų1146.1 Ų46.16%0.05825%0.25CC..EExtended strand (participates in β ladder)trans-117.1139.9176.7176.357.6000110.3Y52 I54 Q82 K83 L84L44-Y52 HydrophobicContact CB-CE1 4.31Å; L44-Y52 HydrophobicContact CB-CE2 3.99Å; L44-Y52 HydrophobicContact CD2-CE2 3.98Å; L44-Y52 WeakPolarHBondContact CD2-OH 3.41Å; L44-Y52 HydrophobicContact CG-CE1 4.21Å; L44-Y52 HydrophobicContact CG-CE2 4.21Å; L44-Y52 WeakPolarHBondContact CG-OH 3.34Å; L44-Y52 PolarHBondContact N-O 3.39Å; L44-Y52 WeakPolarHBondContact O-CD1 3.39Å; L44-Y52 WeakPolarHBondContact O-CE1 3.46Å; L44-Y52 PolarHBondContact O-N 2.82Å; L44-I54 HydrophobicContact CB-CD1 4.31Å; L44-I54 HydrophobicContact CB-CG1 4.45Å; L44-I54 HydrophobicContact CB-CG2 3.5Å; L44-I54 VanDerWaalsContact CB-CG2 3.5Å; L44-I54 HydrophobicContact CD2-CG2 3.91Å; L44-I54 HydrophobicContact CG-CG2 4.36Å; L44-Q82 HydrophobicContact CD1-CB 3.98Å; L44-K83 CarbonylContact C-O 3.46Å; L44-K83 WeakPolarHBondContact CA-O 3.46Å; L44-K83 WeakPolarHBondContact CD1-O 3.32Å; L44-L84 HydrophobicContact CB-CD2 4.19Å; L44-L84 HydrophobicContact CD1-CD2 3.85Å
45N93Very high89.9Confident18 Ų1844.5 Ų44.510%0.09624%0.241CC..EExtended strand (participates in β ladder)trans-133.7108.4164.9-179.7-22.1000109S47 G48 H50 W51 K83N45-S47 PolarHBondContact OD1-N 3.18Å; N45-G48 PolarHBondContact ND2-O 2.95Å; N45-G48 PolarHBondContact OD1-O 3.17Å; N45-G48 VanDerWaalsContact OD1-O 3.14Å; N45-H50 PolarHBondContact ND2-O 2.88Å; N45-W51 HydrophobicContact CB-CD2 3.68Å; N45-W51 HydrophobicContact CB-CE3 3.58Å; N45-W51 HydrophobicContact CB-CG 4.3Å; N45-W51 HydrophobicContact CB-CH2 4.12Å; N45-W51 HydrophobicContact CB-CZ2 4.17Å; N45-W51 HydrophobicContact CB-CZ3 3.8Å; N45-K83 HydrophobicContact CB-CB 4.42Å; N45-K83 PolarHBondContact N-O 3.12Å; N45-K83 WeakPolarHBondContact O-CB 3.36Å; N45-K83 PolarHBondContact O-N 3.32Å
46S79.9Confident90.6Very high31 Ų3143.4 Ų43.422%0.21723%0.234CC..SBendtrans-108.6-14.9175.250.80000113.2
47S75.4Confident91Very high78 Ų7843.6 Ų43.655%0.54524%0.235SC..SBendtrans-156.9129.6-178.662.60000111.7N45N45-S47 PolarHBondContact OD1-N 3.18Å
48G74.6Confident91.1Very high51 Ų5145.5 Ų45.553%0.52624%0.244SC..SBendtrans76-164.7175.100000114.2N45N45-G48 PolarHBondContact ND2-O 2.95Å; N45-G48 PolarHBondContact OD1-O 3.17Å; N45-G48 VanDerWaalsContact OD1-O 3.14Å
49P79.3Confident91.1Very high104 Ų10448.3 Ų48.368%0.67526%0.256SS*.SBendtrans-87.8-8.4-173.933.6-34.7000114.1
50H86.3Confident90.8Very high145 Ų14549 Ų4967%0.67126%0.26SS*.  trans-91.7136.8-169-58.7102.4000112N45N45-H50 PolarHBondContact ND2-O 2.88Å
51W92.9Very high90.4Very high72 Ų7255.4 Ų55.427%0.27329%0.29SS..  trans-98.6138.3168.7-67.288.6000108.7L43 N45 K83 R85L43-W51 HydrophobicContact CB-CB 4.31Å; L43-W51 HydrophobicContact CB-CE3 3.89Å; N45-W51 HydrophobicContact CB-CD2 3.68Å; N45-W51 HydrophobicContact CB-CE3 3.58Å; N45-W51 HydrophobicContact CB-CG 4.3Å; N45-W51 HydrophobicContact CB-CH2 4.12Å; N45-W51 HydrophobicContact CB-CZ2 4.17Å; N45-W51 HydrophobicContact CB-CZ3 3.8Å; W51-K83 HydrophobicContact CH2-CB 3.71Å; W51-K83 HydrophobicContact CZ3-CB 4.16Å; W51-K83 WeakPolarHBondContact CZ3-O 3.26Å; W51-R85 HydrophobicContact CE3-CB 4.1Å; W51-R85 HydrophobicContact CH2-CB 4.05Å; W51-R85 HydrophobicContact CZ3-CB 3.75Å
52Y93.4Very high89.9Confident111 Ų11159.2 Ų59.244%0.43531%0.31SS..EExtended strand (participates in β ladder)trans-128.3145.7172.859.9-87.4000110.4L43 L44 I54L43-Y52 CarbonylContact C-O 3.57Å; L43-Y52 VanDerWaalsContact CA-O 3.27Å; L43-Y52 WeakPolarHBondContact CA-O 3.23Å; L44-Y52 HydrophobicContact CB-CE1 4.31Å; L44-Y52 HydrophobicContact CB-CE2 3.99Å; L44-Y52 HydrophobicContact CD2-CE2 3.98Å; L44-Y52 WeakPolarHBondContact CD2-OH 3.41Å; L44-Y52 HydrophobicContact CG-CE1 4.21Å; L44-Y52 HydrophobicContact CG-CE2 4.21Å; L44-Y52 WeakPolarHBondContact CG-OH 3.34Å; L44-Y52 PolarHBondContact N-O 3.39Å; L44-Y52 WeakPolarHBondContact O-CD1 3.39Å; L44-Y52 WeakPolarHBondContact O-CE1 3.46Å; L44-Y52 PolarHBondContact O-N 2.82Å; Y52-I54 HydrophobicContact CD2-CG2 3.8Å; Y52-I54 HydrophobicContact CE2-CG2 3.52Å
53E94.9Very high89.5Confident84 Ų8460.7 Ų60.739%0.39332%0.32SS..EExtended strand (participates in β ladder)trans-73.3129178.6-169.6-175128.800111V41 L43 R56V41-E53 HydrophobicContact CG1-CG 3.84Å; L43-E53 HydrophobicContact CD2-CB 3.98Å; E53-R56 WeakPolarHBondContact OE1-CD 3.12Å; E53-R56 WeakPolarHBondContact OE1-CG 3.25Å; E53-R56 IonicContact OE1-CZ 3.55Å; E53-R56 IonicContact OE1-NE 3.56Å; E53-R56 PolarHBondContact OE1-NE 2.98Å; E53-R56 IonicContact OE1-NH2 3.6Å; E53-R56 IonicContact OE2-CZ 2.71Å; E53-R56 VanDerWaalsContact OE2-CZ 3.29Å; E53-R56 IonicContact OE2-NE 2.73Å; E53-R56 PolarHBondContact OE2-NE 3.19Å; E53-R56 IonicContact OE2-NH2 3.02Å; E53-R56 PolarHBondContact OE2-NH2 3.35Å
54I95.3Very high89.3Confident46 Ų4661.1 Ų61.124%0.23632%0.322CS..EExtended strand (participates in β ladder)trans-105.6-14.6175.958.2163.9000112.7V42 L44 Y52 I72 L74 L84V42-I54 HydrophobicContact CB-CD1 4.41Å; V42-I54 HydrophobicContact CB-CG1 4.03Å; V42-I54 HydrophobicContact CG1-CD1 3.78Å; V42-I54 HydrophobicContact CG1-CG1 3.87Å; V42-I54 VanDerWaalsContact O-CG1 3.31Å; V42-I54 WeakPolarHBondContact O-CG1 3.35Å; V42-I54 PolarHBondContact O-N 3.31Å; L44-I54 HydrophobicContact CB-CD1 4.31Å; L44-I54 HydrophobicContact CB-CG1 4.45Å; L44-I54 HydrophobicContact CB-CG2 3.5Å; L44-I54 VanDerWaalsContact CB-CG2 3.5Å; L44-I54 HydrophobicContact CD2-CG2 3.91Å; L44-I54 HydrophobicContact CG-CG2 4.36Å; Y52-I54 HydrophobicContact CD2-CG2 3.8Å; Y52-I54 HydrophobicContact CE2-CG2 3.52Å; I54-I72 HydrophobicContact CD1-CG2 3.91Å; I54-I72 HydrophobicContact CG1-CG2 4.1Å; I54-L74 HydrophobicContact CD1-CB 4.33Å; I54-L74 HydrophobicContact CD1-CD1 3.8Å; I54-L84 HydrophobicContact CD1-CD2 3.95Å
55G94.4Very high89.2Confident14 Ų1464 Ų6414%0.14434%0.338CS..EExtended strand (participates in β ladder)trans167172.5171.400000113.6V42V42-G55 PolarHBondContact N-O 2.95Å
56R95.3Very high89.3Confident83 Ų8363.2 Ų63.231%0.31333%0.333SS..EExtended strand (participates in β ladder)trans-131.6145.4175.1-48-176.7-176.5179.1-3110.2M39 C40 V41 E53 K70 P98M39-R56 HydrophobicContact SD-CB 4.24Å; C40-R56 CarbonylContact O-C 3.17Å; C40-R56 VanDerWaalsContact O-CA 3.26Å; C40-R56 WeakPolarHBondContact O-CA 3.43Å; V41-R56 HydrophobicContact CG1-CG 4.37Å; V41-R56 HydrophobicContact CG2-CG 4.04Å; E53-R56 WeakPolarHBondContact OE1-CD 3.12Å; E53-R56 WeakPolarHBondContact OE1-CG 3.25Å; E53-R56 IonicContact OE1-CZ 3.55Å; E53-R56 IonicContact OE1-NE 3.56Å; E53-R56 PolarHBondContact OE1-NE 2.98Å; E53-R56 IonicContact OE1-NH2 3.6Å; E53-R56 IonicContact OE2-CZ 2.71Å; E53-R56 VanDerWaalsContact OE2-CZ 3.29Å; E53-R56 IonicContact OE2-NE 2.73Å; E53-R56 PolarHBondContact OE2-NE 3.19Å; E53-R56 IonicContact OE2-NH2 3.02Å; E53-R56 PolarHBondContact OE2-NH2 3.35Å; R56-K70 WeakPolarHBondContact O-CD 3.36Å; R56-K70 VanDerWaalsContact O-CE 3.31Å; R56-K70 WeakPolarHBondContact O-CE 3.43Å; R56-K70 PolarHBondContact O-NZ 2.89Å; R56-P98 VanDerWaalsContact NH1-CG 3.33Å
57T95.8Very high90Very high5 Ų569.7 Ų69.73%0.03136%0.358CS..PPolyproline II helixtrans-71.1172168.464.10000110.5I22 C40 F68I22-T57 HydrophobicContact CD1-CG2 4.11Å; C40-T57 HydrophobicContact CB-CG2 3.85Å; C40-T57 PolarHBondContact N-OG1 3.26Å; C40-T57 PolarHBondContact O-N 3.49Å; T57-F68 HydrophobicContact CG2-CB 3.77Å; T57-F68 HydrophobicContact CG2-CD1 4.11Å; T57-F68 HydrophobicContact CG2-CD2 4.02Å; T57-F68 HydrophobicContact CG2-CG 3.7Å; T57-F68 VanDerWaalsContact OG1-CD1 3.29Å; T57-F68 WeakPolarHBondContact OG1-CD1 3.41Å; T57-F68 WeakPolarHBondContact OG1-CE1 3.47Å
58E92.8Very high90.9Very high54 Ų5466.6 Ų66.625%0.25233%0.334SS..PPolyproline II helixtrans-67.2161.5161.774.9-81.5-158.100111.6I60 F68 S69 K70E58-I60 HydrophobicContact CG-CG1 4.41Å; E58-F68 VanDerWaalsContact O-CD1 3.3Å; E58-F68 WeakPolarHBondContact O-CD1 3.2Å; E58-F68 VanDerWaalsContact O-CE1 3.29Å; E58-F68 WeakPolarHBondContact O-CE1 3.34Å; E58-S69 VanDerWaalsContact CD-OG 3.32Å; E58-S69 WeakPolarHBondContact OE1-CA 3.26Å; E58-S69 WeakPolarHBondContact OE1-CB 3.23Å; E58-S69 PolarHBondContact OE1-N 2.98Å; E58-S69 PolarHBondContact OE1-OG 2.89Å; E58-K70 WeakPolarHBondContact OE2-CB 3.31Å; E58-K70 PolarHBondContact OE2-N 3.03Å
59K92Very high91.7Very high59 Ų5968.9 Ų68.926%0.25734%0.342SS..PPolyproline II helixtrans-80.9135.6168.1-178.717692.2141.20110D37 I91D37-K59 HydrophobicContact CB-CD 3.93Å; D37-K59 HydrophobicContact CB-CG 4.1Å; D37-K59 IonicContact OD2-NZ 2.75Å; D37-K59 PolarHBondContact OD2-NZ 2.86Å; K59-I91 HydrophobicContact CD-CB 3.64Å; K59-I91 HydrophobicContact CD-CG2 3.77Å; K59-I91 VanDerWaalsContact CD-O 3.31Å; K59-I91 WeakPolarHBondContact CD-O 3.41Å; K59-I91 HydrophobicContact CG-CB 4.34Å; K59-I91 PolarHBondContact NZ-O 2.68Å
60I88.9Confident92.4Very high38 Ų3869.2 Ų69.220%0.19533%0.333CS..  trans-112.5120.5172.2-61.5-175.8000108.7D37 P38 E58 C63 P66 K67 F68D37-I60 CarbonylContact C-O 3.47Å; D37-I60 VanDerWaalsContact CA-O 3.28Å; D37-I60 WeakPolarHBondContact CA-O 3.32Å; P38-I60 WeakPolarHBondContact CD-O 3.32Å; P38-I60 PolarHBondContact O-N 2.97Å; P38-I60 VanDerWaalsContact O-N 3.11Å; E58-I60 HydrophobicContact CG-CG1 4.41Å; I60-C63 HydrophobicContact CG2-CB 3.57Å; I60-P66 HydrophobicContact CB-CB 4.34Å; I60-P66 HydrophobicContact CD1-CB 3.77Å; I60-P66 HydrophobicContact CG1-CB 4.47Å; I60-K67 WeakPolarHBondContact CD1-O 3.36Å; I60-F68 HydrophobicContact CD1-CD1 3.75Å; I60-F68 HydrophobicContact CD1-CE1 4.03Å; I60-F68 HydrophobicContact CD1-CG 4.42Å; I60-F68 HydrophobicContact CG1-CD1 4.01Å; I60-F68 HydrophobicContact CG1-CE1 4.04Å
61Q89Confident92.7Very high134 Ų13463.8 Ų63.863%0.62631%0.311SS*.THydrogen-bonded Turntrans-74.3139.6-176.6-69.9176.8-1700112.4D37 C63D37-Q61 WeakPolarHBondContact OD1-CA 3.16Å; Q61-C63 PolarHBondContact O-N 3.34Å
62N85.8Confident92.8Very high83 Ų8360.6 Ų60.644%0.44430%0.3SS..THydrogen-bonded Turntrans51.748.3169.5-74.9-89.7000114.2S34 K35 D37S34-N62 WeakPolarHBondContact CB-OD1 3.15Å; K35-N62 HydrophobicContact CB-CB 4.36Å; K35-N62 WeakPolarHBondContact CD-O 3.18Å; K35-N62 PolarHBondContact N-OD1 3.09Å; K35-N62 WeakPolarHBondContact O-CA 3.13Å; K35-N62 PolarHBondContact O-OD1 2.93Å; D37-N62 PolarHBondContact OD1-N 3.08Å
63C88.8Confident92.8Very high32 Ų3258.8 Ų58.822%0.21630%0.3CS..  trans-141.1116.3-170.7-168.40000113.3S36 P38 I60 Q61 N65S36-C63 PolarHBondContact O-N 3.33Å; P38-C63 WeakPolarHBondContact CD-O 3.45Å; P38-C63 WeakPolarHBondContact CG-O 3.04Å; I60-C63 HydrophobicContact CG2-CB 3.57Å; Q61-C63 PolarHBondContact O-N 3.34Å; C63-N65 VanDerWaalsContact SG-C 3.52Å
64L91.2Very high92.8Very high31 Ų3155.4 Ų55.416%0.16228%0.284CS..SBendtrans-86.8-5.5173.7-55.8-179.1000113.7D26 L27 D29 K35D26-L64 PolarHBondContact N-O 2.84Å; L27-L64 HydrophobicContact CB-CB 4.46Å; L27-L64 HydrophobicContact CB-CD2 4.44Å; L27-L64 WeakPolarHBondContact CG-O 3.36Å; L27-L64 PolarHBondContact N-O 3.04Å; D29-L64 HydrophobicContact CB-CD1 4.22Å; D29-L64 HydrophobicContact CB-CD2 4.26Å; K35-L64 HydrophobicContact CB-CD2 4.28Å; K35-L64 HydrophobicContact CB-CG 4.29Å; K35-L64 HydrophobicContact CD-CG 4.27Å; K35-L64 HydrophobicContact CG-CG 4.27Å
65N94.3Very high92.6Very high72 Ų7255.7 Ų55.739%0.38529%0.287SS..SBendtrans-129.357.4-179.5-52-80.2000111.2C24 D25 D26 C63C24-N65 CarbonylContact O-C 3.47Å; C24-N65 WeakPolarHBondContact O-CA 3.45Å; D25-N65 VanDerWaalsContact CA-OD1 3.28Å; D25-N65 WeakPolarHBondContact CA-OD1 3.47Å; D26-N65 PolarHBondContact N-OD1 2.91Å; C63-N65 VanDerWaalsContact SG-C 3.52Å
66P94.5Very high92.4Very high0 Ų055.4 Ų55.40%028%0.281CS..  trans-66.2139.5-172.829.5-37.6000112A23 C24 L27 P38 I60 F68A23-P66 CarbonylContact C-O 3.55Å; A23-P66 VanDerWaalsContact CA-O 3.25Å; A23-P66 WeakPolarHBondContact CA-O 3.37Å; C24-P66 HydrophobicContact CB-CG 3.82Å; C24-P66 PolarHBondContact N-O 3.15Å; L27-P66 HydrophobicContact CD1-CG 3.7Å; P38-P66 HydrophobicContact CB-CG 4.06Å; P38-P66 HydrophobicContact CG-CB 3.72Å; P38-P66 HydrophobicContact CG-CG 3.61Å; I60-P66 HydrophobicContact CB-CB 4.34Å; I60-P66 HydrophobicContact CD1-CB 3.77Å; I60-P66 HydrophobicContact CG1-CB 4.47Å; P66-F68 HydrophobicContact CB-CE1 3.96Å; P66-F68 HydrophobicContact CB-CE2 3.89Å; P66-F68 HydrophobicContact CB-CZ 3.59Å; P66-F68 HydrophobicContact CG-CE2 3.84Å; P66-F68 HydrophobicContact CG-CZ 3.7Å
67K94.6Very high92.2Very high168 Ų16855.2 Ų55.273%0.7328%0.281SS*.BIsolated β-bridgetrans-118.1105166-66.3179.9-178.4177.10107.6A23 I60A23-K67 HydrophobicContact CB-CG 4.11Å; I60-K67 WeakPolarHBondContact CD1-O 3.36Å
68F94.6Very high91.8Very high13 Ų1355.2 Ų55.26%0.05728%0.281CS..  trans-79.6133-175.6-56.3-76.1000110.4I22 P38 C40 T57 E58 I60 P66 L88I22-F68 HydrophobicContact CB-CD2 4.08Å; I22-F68 HydrophobicContact CG2-CD2 3.97Å; I22-F68 HydrophobicContact CG2-CE2 4.27Å; I22-F68 WeakPolarHBondContact O-CD2 3.35Å; I22-F68 PolarHBondContact O-N 2.98Å; I22-F68 VanDerWaalsContact O-N 3.08Å; P38-F68 HydrophobicContact CB-CZ 4.31Å; C40-F68 HydrophobicContact CB-CE2 4.27Å; T57-F68 HydrophobicContact CG2-CB 3.77Å; T57-F68 HydrophobicContact CG2-CD1 4.11Å; T57-F68 HydrophobicContact CG2-CD2 4.02Å; T57-F68 HydrophobicContact CG2-CG 3.7Å; T57-F68 VanDerWaalsContact OG1-CD1 3.29Å; T57-F68 WeakPolarHBondContact OG1-CD1 3.41Å; T57-F68 WeakPolarHBondContact OG1-CE1 3.47Å; E58-F68 VanDerWaalsContact O-CD1 3.3Å; E58-F68 WeakPolarHBondContact O-CD1 3.2Å; E58-F68 VanDerWaalsContact O-CE1 3.29Å; E58-F68 WeakPolarHBondContact O-CE1 3.34Å; I60-F68 HydrophobicContact CD1-CD1 3.75Å; I60-F68 HydrophobicContact CD1-CE1 4.03Å; I60-F68 HydrophobicContact CD1-CG 4.42Å; I60-F68 HydrophobicContact CG1-CD1 4.01Å; I60-F68 HydrophobicContact CG1-CE1 4.04Å; P66-F68 HydrophobicContact CB-CE1 3.96Å; P66-F68 HydrophobicContact CB-CE2 3.89Å; P66-F68 HydrophobicContact CB-CZ 3.59Å; P66-F68 HydrophobicContact CG-CE2 3.84Å; P66-F68 HydrophobicContact CG-CZ 3.7Å; F68-L88 HydrophobicContact CE2-CD1 4.48Å
69S91.6Very high91.5Very high99 Ų9953.9 Ų53.969%0.69227%0.274SS*.  trans-82.4-31.517764.80000112.4E58 S71E58-S69 VanDerWaalsContact CD-OG 3.32Å; E58-S69 WeakPolarHBondContact OE1-CA 3.26Å; E58-S69 WeakPolarHBondContact OE1-CB 3.23Å; E58-S69 PolarHBondContact OE1-N 2.98Å; E58-S69 PolarHBondContact OE1-OG 2.89Å; S69-S71 PolarHBondContact O-N 3.25Å
70K93.4Very high91.3Very high111 Ų11151.9 Ų51.948%0.48327%0.267SS..SBendtrans-78.3113.3178.3-173.5178.6174.2-164.50110.8R56 E58R56-K70 WeakPolarHBondContact O-CD 3.36Å; R56-K70 VanDerWaalsContact O-CE 3.31Å; R56-K70 WeakPolarHBondContact O-CE 3.43Å; R56-K70 PolarHBondContact O-NZ 2.89Å; E58-K70 WeakPolarHBondContact OE2-CB 3.31Å; E58-K70 PolarHBondContact OE2-N 3.03Å
71S93.6Very high91.3Very high30 Ų3052 Ų5221%0.2127%0.269CS..  trans-75.2146.6170.9-41.90000111.8L20 N21 S69L20-S71 VanDerWaalsContact O-CA 3.29Å; L20-S71 WeakPolarHBondContact O-CA 3.32Å; N21-S71 WeakPolarHBondContact OD1-CB 3.28Å; N21-S71 PolarHBondContact OD1-OG 2.98Å; S69-S71 PolarHBondContact O-N 3.25Å
72I95.6Very high91.5Very high6 Ų646 Ų463%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-96.8119.3170.2-53.1-55.1000108.6L20 I22 V42 I54L20-I72 HydrophobicContact CB-CB 4.47Å; L20-I72 PolarHBondContact N-O 3.39Å; L20-I72 PolarHBondContact O-N 3.38Å; I22-I72 HydrophobicContact CD1-CG1 4.23Å; V42-I72 HydrophobicContact CB-CG2 4.4Å; V42-I72 HydrophobicContact CG2-CG1 3.92Å; I54-I72 HydrophobicContact CD1-CG2 3.91Å; I54-I72 HydrophobicContact CG1-CG2 4.1Å
73V93.3Very high91.9Very high73 Ų7347.1 Ų47.144%0.44224%0.242SC..EExtended strand (participates in β ladder)trans-105.4130.7-176.3-1760000110.1K17 V18 A19K17-V73 HydrophobicContact CB-CG1 4.17Å; K17-V73 HydrophobicContact CD-CG1 4.27Å; V18-V73 VanDerWaalsContact O-CA 3.32Å; V18-V73 WeakPolarHBondContact O-CA 2.79Å; A19-V73 HydrophobicContact CB-CG2 4.14Å
74L93.5Very high92.3Very high12 Ų1245.6 Ų45.66%0.06323%0.232CC..EExtended strand (participates in β ladder)trans-143158.5178.372.9177.6000111.5K17 V18 L20 I54 L84 L111K17-L74 WeakPolarHBondContact CA-O 3.27Å; V18-L74 HydrophobicContact CB-CD2 4.29Å; V18-L74 PolarHBondContact N-O 2.67Å; V18-L74 WeakPolarHBondContact O-CD2 3.46Å; V18-L74 PolarHBondContact O-N 2.81Å; L20-L74 HydrophobicContact CD1-CD2 3.91Å; L20-L74 HydrophobicContact CG-CD2 3.91Å; I54-L74 HydrophobicContact CD1-CB 4.33Å; I54-L74 HydrophobicContact CD1-CD1 3.8Å; L74-L84 HydrophobicContact CD1-CD1 4.4Å; L74-L84 HydrophobicContact CD1-CD2 3.92Å; L74-L111 HydrophobicContact CD1-CD2 3.99Å; L74-L111 HydrophobicContact CD2-CD1 4.3Å; L74-L111 HydrophobicContact CD2-CD2 4.45Å; L74-L111 HydrophobicContact CG-CD2 4.1Å
75D91.8Very high92.6Very high53 Ų5346.5 Ų46.528%0.28323%0.233SC..EExtended strand (participates in β ladder)trans-75.7138.4173.8-66-21.7000110.1V15 K17 Y77 Q82V15-D75 HydrophobicContact CG1-CB 3.62Å; K17-D75 WeakPolarHBondContact CG-OD1 3.47Å; K17-D75 IonicContact NZ-OD1 3.79Å; K17-D75 PolarHBondContact NZ-OD1 2.98Å; D75-Y77 HydrophobicContact CB-CD2 4.42Å; D75-Y77 HydrophobicContact CB-CE2 3.54Å; D75-Q82 PolarHBondContact O-NE2 3.35Å
76Y90.8Very high92.8Very high7 Ų743.1 Ų43.13%0.02722%0.215CC..EExtended strand (participates in β ladder)trans-106.9129.9177.4168-98.3000110.3T16 V18 F78 L111 V115 L289 Y344T16-Y76 WeakPolarHBondContact O-CB 2.83Å; T16-Y76 PolarHBondContact O-N 3.29Å; V18-Y76 HydrophobicContact CG2-CG 4.33Å; Y76-F78 HydrophobicContact CE1-CB 4.03Å; Y76-F78 WeakPolarHBondContact OH-CD2 3.38Å; Y76-L111 HydrophobicContact CD2-CD2 3.81Å; Y76-L111 HydrophobicContact CD2-CG 4.13Å; Y76-L111 HydrophobicContact CG-CD2 4.49Å; Y76-V115 HydrophobicContact CE2-CG2 4Å; Y76-L289 HydrophobicContact CD1-CD1 3.63Å; Y76-L289 HydrophobicContact CD1-CD2 4.16Å; Y76-L289 HydrophobicContact CD1-CG 3.98Å; Y76-L289 HydrophobicContact CE1-CD1 3.95Å; Y76-L289 HydrophobicContact CE1-CD2 3.63Å; Y76-L289 HydrophobicContact CE1-CG 3.76Å; Y76-L289 HydrophobicContact CE2-CD2 4.17Å; Y76-L289 HydrophobicContact CG-CD1 3.97Å; Y76-Y344 WeakPolarHBondContact CE2-OH 3.27Å; Y76-Y344 WeakPolarHBondContact OH-CE1 3.41Å; Y76-Y344 VanDerWaalsContact OH-CZ 3.23Å; Y76-Y344 PolarHBondContact OH-OH 3.11Å
77Y89.5Confident92.9Very high79 Ų7944.1 Ų44.131%0.3122%0.22SC..  trans-124.6109.8176.6-59.4-89.6000107.6V15 D75 E79 V80 Q82V15-Y77 HydrophobicContact CB-CE1 4.38Å; V15-Y77 HydrophobicContact CG1-CE1 4.04Å; V15-Y77 HydrophobicContact CG1-CE2 4.46Å; V15-Y77 HydrophobicContact CG2-CD1 4.14Å; V15-Y77 HydrophobicContact CG2-CE1 3.45Å; V15-Y77 VanDerWaalsContact CG2-CE1 3.45Å; D75-Y77 HydrophobicContact CB-CD2 4.42Å; D75-Y77 HydrophobicContact CB-CE2 3.54Å; Y77-E79 PolarHBondContact O-N 2.81Å; Y77-V80 PolarHBondContact O-N 3.41Å; Y77-Q82 PolarHBondContact O-OE1 2.87Å
78F88.6Confident92.9Very high6 Ų636.1 Ų36.13%0.02619%0.185CC..THydrogen-bonded Turntrans-55.7-39.9-176.8166.1-112.8000111.8Y76 V80 F288 V340 Y344 L516 L519 P520Y76-F78 HydrophobicContact CE1-CB 4.03Å; Y76-F78 WeakPolarHBondContact OH-CD2 3.38Å; F78-V80 VanDerWaalsContact C-N 3.3Å; F78-V80 PolarHBondContact O-N 3.04Å; F78-F288 HydrophobicContact CB-CE1 4.5Å; F78-F288 HydrophobicContact CD2-CD1 4.42Å; F78-F288 AromaticContact CD2-CE1 3.41Å; F78-F288 HydrophobicContact CD2-CE1 3.41Å; F78-F288 VanDerWaalsContact CD2-CE1 3.41Å; F78-F288 AromaticContact CD2-CZ 3.73Å; F78-F288 HydrophobicContact CD2-CZ 3.73Å; F78-F288 AromaticContact CE2-CE1 3.79Å; F78-F288 HydrophobicContact CE2-CE1 3.79Å; F78-F288 AromaticContact CE2-CZ 3.59Å; F78-F288 HydrophobicContact CE2-CZ 3.59Å; F78-F288 HydrophobicContact CG-CE1 4.05Å; F78-F288 HydrophobicContact CG-CZ 4.48Å; F78-F288 HydrophobicContact CZ-CZ 4.24Å; F78-V340 WeakPolarHBondContact O-CG1 3.37Å; F78-Y344 HydrophobicContact CD2-CD2 4.32Å; F78-Y344 HydrophobicContact CD2-CE1 4.05Å; F78-Y344 AromaticContact CD2-CE2 3.7Å; F78-Y344 HydrophobicContact CD2-CE2 3.7Å; F78-Y344 AromaticContact CD2-CZ 3.54Å; F78-Y344 HydrophobicContact CE2-CD1 4.36Å; F78-Y344 AromaticContact CE2-CD2 3.72Å; F78-Y344 HydrophobicContact CE2-CD2 3.72Å; F78-Y344 HydrophobicContact CE2-CE1 4.22Å; F78-Y344 AromaticContact CE2-CE2 3.53Å; F78-Y344 HydrophobicContact CE2-CE2 3.53Å; F78-Y344 HydrophobicContact CE2-CG 4.13Å; F78-Y344 AromaticContact CE2-CZ 3.8Å; F78-Y344 PolarHBondContact O-OH 2.82Å; F78-L516 HydrophobicContact CD1-CB 4.12Å; F78-L516 HydrophobicContact CE1-CB 3.75Å; F78-L516 HydrophobicContact CE1-CD1 4.39Å; F78-L516 HydrophobicContact CE1-CD2 4.19Å; F78-L516 HydrophobicContact CE1-CG 4.33Å; F78-L519 HydrophobicContact CE1-CB 4.06Å; F78-L519 HydrophobicContact CE1-CD2 3.86Å; F78-L519 HydrophobicContact CE1-CG 4.24Å; F78-L519 HydrophobicContact CZ-CD2 3.68Å; F78-L519 HydrophobicContact CZ-CG 4.34Å; F78-P520 HydrophobicContact CB-CG 4.04Å; F78-P520 HydrophobicContact CD1-CG 3.48Å; F78-P520 VanDerWaalsContact CD1-CG 3.48Å; F78-P520 HydrophobicContact CE1-CG 4.11Å; F78-P520 HydrophobicContact CG-CG 3.82Å
79E86.8Confident92.9Very high25 Ų2536 Ų3612%0.11718%0.184CC..THydrogen-bonded Turntrans-83.62.7-172.270.5-80.8-174.200114.4Y77 Q513 L516Y77-E79 PolarHBondContact O-N 2.81Å; E79-Q513 HydrophobicContact CB-CG 4.35Å; E79-Q513 HydrophobicContact CG-CB 4.02Å; E79-Q513 HydrophobicContact CG-CG 3.57Å; E79-L516 HydrophobicContact CB-CB 3.97Å
80V87Confident92.9Very high18 Ų1831.3 Ų31.311%0.10915%0.151CC..SBendtrans-122.7132-177.8-177.50000111.3Y77 F78 Q82 Q513Y77-V80 PolarHBondContact O-N 3.41Å; F78-V80 VanDerWaalsContact C-N 3.3Å; F78-V80 PolarHBondContact O-N 3.04Å; V80-Q82 HydrophobicContact CB-CG 4.31Å; V80-Q82 HydrophobicContact CG1-CG 4.06Å; V80-Q82 PolarHBondContact O-N 3.32Å; V80-Q513 HydrophobicContact CG2-CG 4.28Å
81V89.4Confident92.6Very high40 Ų4026.6 Ų26.624%0.24213%0.131CC..  trans-73.492.6168.2-174.10000109.6K83 T110 N339 V340V81-K83 HydrophobicContact CG1-CG 4.15Å; V81-K83 PolarHBondContact O-N 3.48Å; V81-T110 HydrophobicContact CG1-CG2 3.81Å; V81-N339 HydrophobicContact CG2-CB 4.39Å; V81-N339 WeakPolarHBondContact CG2-O 3.1Å; V81-V340 HydrophobicContact CG2-CG2 3.85Å
82Q92.1Very high91.8Very high7 Ų729.5 Ų29.53%0.03314%0.144CC..  trans-86.998.2176.4-65.6175.9-102.200110.2L44 D75 Y77 V80 T110 L111L44-Q82 HydrophobicContact CD1-CB 3.98Å; D75-Q82 PolarHBondContact O-NE2 3.35Å; Y77-Q82 PolarHBondContact O-OE1 2.87Å; V80-Q82 HydrophobicContact CB-CG 4.31Å; V80-Q82 HydrophobicContact CG1-CG 4.06Å; V80-Q82 PolarHBondContact O-N 3.32Å; Q82-T110 CarbonylContact O-C 3.56Å; Q82-T110 WeakPolarHBondContact O-CA 3.36Å; Q82-L111 HydrophobicContact CB-CB 3.95Å; Q82-L111 PolarHBondContact O-N 3.1Å
83K95.3Very high90.6Very high108 Ų10832 Ų3247%0.4716%0.163SC..EExtended strand (participates in β ladder)trans-79.9134.1179.2-59-179179.71790110.5L44 N45 W51 V81 T110L44-K83 CarbonylContact C-O 3.46Å; L44-K83 WeakPolarHBondContact CA-O 3.46Å; L44-K83 WeakPolarHBondContact CD1-O 3.32Å; N45-K83 HydrophobicContact CB-CB 4.42Å; N45-K83 PolarHBondContact N-O 3.12Å; N45-K83 WeakPolarHBondContact O-CB 3.36Å; N45-K83 PolarHBondContact O-N 3.32Å; W51-K83 HydrophobicContact CH2-CB 3.71Å; W51-K83 HydrophobicContact CZ3-CB 4.16Å; W51-K83 WeakPolarHBondContact CZ3-O 3.26Å; V81-K83 HydrophobicContact CG1-CG 4.15Å; V81-K83 PolarHBondContact O-N 3.48Å; K83-T110 HydrophobicContact CG-CG2 4.49Å
84L97.2Very high89.2Confident0 Ų037.4 Ų37.40%018%0.183CC..EExtended strand (participates in β ladder)trans-118.8138.8178.2-66.2172.2000110.1L20 V42 L43 L44 I54 L74 F86 E108 C109 L111 I114L20-L84 HydrophobicContact CD1-CD1 3.85Å; V42-L84 HydrophobicContact CG1-CD2 4.27Å; L43-L84 WeakPolarHBondContact O-CA 3.36Å; L44-L84 HydrophobicContact CB-CD2 4.19Å; L44-L84 HydrophobicContact CD1-CD2 3.85Å; I54-L84 HydrophobicContact CD1-CD2 3.95Å; L74-L84 HydrophobicContact CD1-CD1 4.4Å; L74-L84 HydrophobicContact CD1-CD2 3.92Å; L84-F86 HydrophobicContact CB-CE2 3.73Å; L84-F86 HydrophobicContact CB-CZ 4.15Å; L84-F86 HydrophobicContact CD1-CE2 4.43Å; L84-F86 HydrophobicContact CD1-CZ 4.13Å; L84-E108 WeakPolarHBondContact O-CA 3.39Å; L84-C109 PolarHBondContact N-O 2.74Å; L84-C109 PolarHBondContact O-N 3.42Å; L84-C109 VanDerWaalsContact O-O 3.12Å; L84-L111 HydrophobicContact CD1-CB 4.07Å; L84-L111 HydrophobicContact CD1-CD1 4.09Å; L84-I114 HydrophobicContact CD1-CD1 3.73Å
85R97.1Very high87.9Confident50 Ų5044 Ų4419%0.18922%0.219CC..EExtended strand (participates in β ladder)trans-122.1128.5168.1-175.5-171.6-62162.8-2.3108.9V42 L43 W51 E87 F107 E108V42-R85 WeakPolarHBondContact CA-O 3.21Å; L43-R85 HydrophobicContact CB-CB 4.25Å; L43-R85 HydrophobicContact CD1-CB 4.39Å; L43-R85 HydrophobicContact CD1-CG 4.5Å; L43-R85 PolarHBondContact N-O 2.81Å; L43-R85 PolarHBondContact O-N 3.01Å; W51-R85 HydrophobicContact CE3-CB 4.1Å; W51-R85 HydrophobicContact CH2-CB 4.05Å; W51-R85 HydrophobicContact CZ3-CB 3.75Å; R85-E87 WeakPolarHBondContact CD-OE1 3.35Å; R85-E87 HydrophobicContact CG-CG 3.89Å; R85-E87 IonicContact NE-OE1 3.97Å; R85-E87 IonicContact NH1-OE1 3.39Å; R85-E87 PolarHBondContact NH1-OE1 2.92Å; R85-F107 WeakPolarHBondContact CA-O 3.43Å; R85-E108 HydrophobicContact CB-CG 3.98Å; R85-E108 HydrophobicContact CG-CG 3.76Å; R85-E108 IonicContact CZ-OE1 3.13Å; R85-E108 IonicContact NE-OE1 2.69Å; R85-E108 PolarHBondContact NE-OE1 2.67Å; R85-E108 IonicContact NH2-OE1 2.75Å; R85-E108 PolarHBondContact NH2-OE1 2.52Å
86F97.8Very high86.7Confident0 Ų042.7 Ų42.70%021%0.213CC..EExtended strand (participates in β ladder)trans-105.3119.3175-58-97000107L20 I22 V42 L84 Q106 F107 I114 I137 I139L20-F86 HydrophobicContact CD1-CE1 4.42Å; L20-F86 HydrophobicContact CD1-CZ 4.21Å; I22-F86 HydrophobicContact CD1-CD1 3.91Å; I22-F86 HydrophobicContact CD1-CE1 3.91Å; I22-F86 HydrophobicContact CG1-CE1 4.33Å; V42-F86 HydrophobicContact CG1-CD1 4.19Å; V42-F86 HydrophobicContact CG1-CE1 3.96Å; V42-F86 HydrophobicContact CG1-CZ 4.38Å; V42-F86 HydrophobicContact CG2-CD1 3.77Å; V42-F86 HydrophobicContact CG2-CE1 3.97Å; L84-F86 HydrophobicContact CB-CE2 3.73Å; L84-F86 HydrophobicContact CB-CZ 4.15Å; L84-F86 HydrophobicContact CD1-CE2 4.43Å; L84-F86 HydrophobicContact CD1-CZ 4.13Å; F86-Q106 CarbonylContact O-C 3.55Å; F86-Q106 WeakPolarHBondContact O-CA 3.44Å; F86-Q106 WeakPolarHBondContact O-CB 3.19Å; F86-F107 AromaticContact CD2-CD1 4Å; F86-F107 HydrophobicContact CD2-CD1 4Å; F86-F107 HydrophobicContact CE2-CD1 4.49Å; F86-F107 PolarHBondContact N-O 2.57Å; F86-F107 PolarHBondContact O-N 3.24Å; F86-I114 HydrophobicContact CE2-CD1 4.23Å; F86-I114 HydrophobicContact CZ-CD1 3.96Å; F86-I137 HydrophobicContact CB-CD1 3.62Å; F86-I137 HydrophobicContact CD1-CD1 4.04Å; F86-I137 HydrophobicContact CG-CD1 3.84Å; F86-I139 HydrophobicContact CD1-CD1 4.2Å; F86-I139 HydrophobicContact CD1-CG1 4.43Å; F86-I139 HydrophobicContact CD2-CD1 3.81Å; F86-I139 HydrophobicContact CE1-CD1 3.89Å; F86-I139 HydrophobicContact CE1-CG1 4.04Å; F86-I139 HydrophobicContact CE2-CD1 3.49Å; F86-I139 VanDerWaalsContact CE2-CD1 3.49Å; F86-I139 HydrophobicContact CE2-CG1 4.49Å; F86-I139 HydrophobicContact CG-CD1 4.18Å; F86-I139 HydrophobicContact CZ-CD1 3.53Å; F86-I139 HydrophobicContact CZ-CG1 4.09Å; F86-I139 HydrophobicContact CZ-CG2 4.34Å
87E97Very high85.5Confident22 Ų2245.1 Ų45.110%0.10323%0.229CC..EExtended strand (participates in β ladder)trans-117.4125.4178.9-62.4-175.8174.100109C40 V41 L43 R85 Y89 F103 Q106C40-E87 WeakPolarHBondContact CA-O 3.42Å; V41-E87 PolarHBondContact N-O 3.3Å; V41-E87 PolarHBondContact O-N 2.87Å; L43-E87 HydrophobicContact CD1-CG 4.19Å; L43-E87 WeakPolarHBondContact CD1-OE1 3.42Å; R85-E87 WeakPolarHBondContact CD-OE1 3.35Å; R85-E87 HydrophobicContact CG-CG 3.89Å; R85-E87 IonicContact NE-OE1 3.97Å; R85-E87 IonicContact NH1-OE1 3.39Å; R85-E87 PolarHBondContact NH1-OE1 2.92Å; E87-Y89 HydrophobicContact CB-CD2 4.33Å; E87-Y89 HydrophobicContact CB-CE2 3.49Å; E87-Y89 VanDerWaalsContact CB-CE2 3.49Å; E87-Y89 PolarHBondContact OE2-OH 2.97Å; E87-F103 HydrophobicContact CB-CE2 4.25Å; E87-F103 HydrophobicContact CG-CE2 4.46Å; E87-Q106 HydrophobicContact CG-CB 4.27Å
88L95.7Very high84.3Confident0 Ų042.1 Ų42.10%022%0.219CC..EExtended strand (participates in β ladder)trans-103.5131.9-178-73.3-64.1000109.3M39 C40 F68 L104 G105 L124 I137M39-L88 WeakPolarHBondContact O-CA 3.08Å; C40-L88 HydrophobicContact CB-CD1 3.62Å; F68-L88 HydrophobicContact CE2-CD1 4.48Å; L88-L104 HydrophobicContact CB-CB 3.92Å; L88-L104 PolarHBondContact O-N 3.38Å; L88-G105 PolarHBondContact N-O 2.9Å; L88-L124 HydrophobicContact CD2-CD2 3.94Å; L88-L124 HydrophobicContact CG-CD1 4.47Å; L88-I137 HydrophobicContact CD2-CD1 4.29Å
89Y93.7Very high83.4Confident11 Ų1149.4 Ų49.44%0.04325%0.253CS..EExtended strand (participates in β ladder)trans-128.9145.4-177.3-67.2-83.7000110.7P38 M39 V41 E87 P98 A101 D102 F103 R127P38-Y89 CarbonylContact C-O 3.54Å; P38-Y89 VanDerWaalsContact CA-O 3.31Å; P38-Y89 WeakPolarHBondContact CA-O 3.33Å; M39-Y89 PolarHBondContact N-O 2.86Å; M39-Y89 PolarHBondContact O-N 3.23Å; V41-Y89 HydrophobicContact CB-CD2 4.45Å; V41-Y89 HydrophobicContact CB-CE2 4.22Å; V41-Y89 HydrophobicContact CG2-CD2 3.82Å; V41-Y89 HydrophobicContact CG2-CE2 3.93Å; E87-Y89 HydrophobicContact CB-CD2 4.33Å; E87-Y89 HydrophobicContact CB-CE2 3.49Å; E87-Y89 VanDerWaalsContact CB-CE2 3.49Å; E87-Y89 PolarHBondContact OE2-OH 2.97Å; Y89-P98 WeakPolarHBondContact CE1-O 3.43Å; Y89-P98 HydrophobicContact CE2-CB 4.43Å; Y89-A101 HydrophobicContact CD1-CB 3.91Å; Y89-A101 HydrophobicContact CG-CB 4.3Å; Y89-D102 CarbonylContact C-O 3.55Å; Y89-D102 WeakPolarHBondContact CA-O 3.07Å; Y89-F103 HydrophobicContact CD1-CD2 4.3Å; Y89-F103 AromaticContact CE1-CD2 3.76Å; Y89-F103 HydrophobicContact CE1-CD2 3.76Å; Y89-F103 AromaticContact CZ-CD2 3.99Å; Y89-R127 PolarHBondContact OH-NH2 3.33Å
90D91Very high82.7Confident0 Ų054.7 Ų54.70%028%0.278CS..EExtended strand (participates in β ladder)trans-90.3122.4168.3-159.4-5.1000109.9S36 D37 A101 D102 L104S36-D90 WeakPolarHBondContact CA-OD1 3.47Å; S36-D90 VanDerWaalsContact CA-OD2 3.26Å; S36-D90 WeakPolarHBondContact CA-OD2 3.47Å; S36-D90 VanDerWaalsContact CB-CG 3.48Å; S36-D90 WeakPolarHBondContact CB-OD2 3.3Å; S36-D90 PolarHBondContact OG-OD2 3.15Å; D37-D90 WeakPolarHBondContact CA-OD1 3.44Å; D37-D90 PolarHBondContact N-OD1 2.65Å; D90-A101 VanDerWaalsContact O-CB 3.31Å; D90-A101 WeakPolarHBondContact O-CB 3.44Å; D90-D102 HydrophobicContact CB-CB 3.96Å; D90-D102 PolarHBondContact N-O 2.84Å; D90-D102 PolarHBondContact O-N 3.43Å; D90-L104 HydrophobicContact CB-CD1 4.17Å; D90-L104 HydrophobicContact CB-CD2 4.07Å; D90-L104 HydrophobicContact CB-CG 4.14Å
91I87.4Confident82.5Confident12 Ų1254.4 Ų54.46%0.06228%0.277CS..  trans-115.288.3-168.8-54.8-65.5000111D37 M39 K59 S93 C96 A101D37-I91 PolarHBondContact O-N 3.1Å; D37-I91 VanDerWaalsContact O-N 3.08Å; M39-I91 HydrophobicContact CB-CG1 3.8Å; M39-I91 HydrophobicContact CE-CD1 3.74Å; M39-I91 HydrophobicContact CE-CG1 3.94Å; M39-I91 HydrophobicContact SD-CG1 4.5Å; K59-I91 HydrophobicContact CD-CB 3.64Å; K59-I91 HydrophobicContact CD-CG2 3.77Å; K59-I91 VanDerWaalsContact CD-O 3.31Å; K59-I91 WeakPolarHBondContact CD-O 3.41Å; K59-I91 HydrophobicContact CG-CB 4.34Å; K59-I91 PolarHBondContact NZ-O 2.68Å; I91-S93 VanDerWaalsContact C-N 3.34Å; I91-S93 WeakPolarHBondContact CG2-O 3.43Å; I91-S93 PolarHBondContact O-N 3.08Å; I91-C96 HydrophobicContact CG2-CB 4.17Å; I91-A101 HydrophobicContact CD1-CB 3.56Å
92D77.3Confident82.4Confident90 Ų9056.2 Ų56.248%0.48129%0.285SS..  trans-69-26.1-174.4-54.7-20.5000114.5
93S70.9Confident82.4Confident59 Ų5957.2 Ų57.241%0.41329%0.29SS..SBendtrans-137.8151.5-178.476.80000112.8I91 N95 C96I91-S93 VanDerWaalsContact C-N 3.34Å; I91-S93 WeakPolarHBondContact CG2-O 3.43Å; I91-S93 PolarHBondContact O-N 3.08Å; S93-N95 PolarHBondContact O-N 3.44Å; S93-N95 VanDerWaalsContact O-N 3.11Å; S93-C96 WeakPolarHBondContact O-CB 3.29Å; S93-C96 PolarHBondContact O-N 3.3Å; S93-C96 VanDerWaalsContact O-N 3.1Å; S93-C96 PolarHBondContact OG-N 3.35Å
94E64.5Low82.2Confident187 Ų18752.1 Ų52.187%0.87427%0.267SS*.THydrogen-bonded Turntrans-62.4-18.5-179-67.4-172.5165.500113.7
95N64.5Low82.2Confident151 Ų15152.1 Ų52.181%0.80727%0.267SS*.THydrogen-bonded Turntrans-106.88.2178.9-66.2-37000113.4S93 T97S93-N95 PolarHBondContact O-N 3.44Å; S93-N95 VanDerWaalsContact O-N 3.11Å; N95-T97 PolarHBondContact O-N 2.76Å
96C66.8Low82.2Confident25 Ų2550.8 Ų50.817%0.16926%0.263CS..  trans-68.2124.9-178.9-1650000110.4I91 S93I91-C96 HydrophobicContact CG2-CB 4.17Å; S93-C96 WeakPolarHBondContact O-CB 3.29Å; S93-C96 PolarHBondContact O-N 3.3Å; S93-C96 VanDerWaalsContact O-N 3.1Å; S93-C96 PolarHBondContact OG-N 3.35Å
97T66.4Low82.2Confident58 Ų5852 Ų5236%0.35627%0.268SS..  trans-78.2150.9169.958.40000110N95 E99 E100 A101N95-T97 PolarHBondContact O-N 2.76Å; T97-E99 WeakPolarHBondContact CB-OE2 3.39Å; T97-E99 PolarHBondContact O-N 3.03Å; T97-E100 PolarHBondContact N-OE2 2.86Å; T97-E100 VanDerWaalsContact N-OE2 3.12Å; T97-E100 PolarHBondContact O-N 3.43Å; T97-E100 VanDerWaalsContact OG1-CG 3.29Å; T97-E100 WeakPolarHBondContact OG1-CG 3.34Å; T97-E100 PolarHBondContact OG1-OE2 2.92Å; T97-A101 PolarHBondContact O-N 2.88Å
98P64.8Low82.1Confident15 Ų1555.3 Ų55.310%0.09728%0.284CS..THydrogen-bonded Turntrans-56.2-23.6177.3-24.534000113.9R56 Y89 E100R56-P98 VanDerWaalsContact NH1-CG 3.33Å; Y89-P98 WeakPolarHBondContact CE1-O 3.43Å; Y89-P98 HydrophobicContact CE2-CB 4.43Å; P98-E100 VanDerWaalsContact C-N 3.32Å
99E68.8Low82.1Confident160 Ų16055.8 Ų55.875%0.74829%0.287SS*.THydrogen-bonded Turntrans-71.7-24.8174.5-63.281.8-174.200113.6T97T97-E99 WeakPolarHBondContact CB-OE2 3.39Å; T97-E99 PolarHBondContact O-N 3.03Å
100E72.9Confident82.1Confident136 Ų13656 Ų5664%0.63629%0.29SS*.THydrogen-bonded Turntrans-97.4-11179.9-67.1165.2154.700112.6T97 P98T97-E100 PolarHBondContact N-OE2 2.86Å; T97-E100 VanDerWaalsContact N-OE2 3.12Å; T97-E100 PolarHBondContact O-N 3.43Å; T97-E100 VanDerWaalsContact OG1-CG 3.29Å; T97-E100 WeakPolarHBondContact OG1-CG 3.34Å; T97-E100 PolarHBondContact OG1-OE2 2.92Å; P98-E100 VanDerWaalsContact C-N 3.32Å
101A81.6Confident82.3Confident11 Ų1156 Ų569%0.09129%0.29CS..SBendtrans-83.4148.3-177.300000113.2Y89 D90 I91 T97Y89-A101 HydrophobicContact CD1-CB 3.91Å; Y89-A101 HydrophobicContact CG-CB 4.3Å; D90-A101 VanDerWaalsContact O-CB 3.31Å; D90-A101 WeakPolarHBondContact O-CB 3.44Å; I91-A101 HydrophobicContact CD1-CB 3.56Å; T97-A101 PolarHBondContact O-N 2.88Å
102D87Confident82.5Confident78 Ų7855.7 Ų55.742%0.41729%0.29SS..EExtended strand (participates in β ladder)trans-73.8131.2176.5-82.3-30.3000111.3M30 Y89 D90 L104M30-D102 HydrophobicContact CB-CB 4.27Å; M30-D102 HydrophobicContact CG-CB 4.24Å; Y89-D102 CarbonylContact C-O 3.55Å; Y89-D102 WeakPolarHBondContact CA-O 3.07Å; D90-D102 HydrophobicContact CB-CB 3.96Å; D90-D102 PolarHBondContact N-O 2.84Å; D90-D102 PolarHBondContact O-N 3.43Å; D102-L104 PolarHBondContact O-N 2.88Å
103F92.2Very high83.2Confident29 Ų2954.2 Ų54.213%0.12728%0.28CS..EExtended strand (participates in β ladder)trans-84.7116.7-174.6-176.2-99.7000111.7E87 Y89 Q106 R127E87-F103 HydrophobicContact CB-CE2 4.25Å; E87-F103 HydrophobicContact CG-CE2 4.46Å; Y89-F103 HydrophobicContact CD1-CD2 4.3Å; Y89-F103 AromaticContact CE1-CD2 3.76Å; Y89-F103 HydrophobicContact CE1-CD2 3.76Å; Y89-F103 AromaticContact CZ-CD2 3.99Å; F103-Q106 HydrophobicContact CE2-CB 4.44Å; F103-Q106 HydrophobicContact CZ-CB 3.76Å; F103-Q106 HydrophobicContact CZ-CG 3.94Å; F103-R127 HydrophobicContact CD1-CG 4.07Å; F103-R127 HydrophobicContact CE1-CG 3.68Å; F103-R127 HydrophobicContact CE2-CG 4.27Å; F103-R127 HydrophobicContact CG-CG 4.49Å; F103-R127 HydrophobicContact CZ-CG 3.77Å
104L92.8Very high84.3Confident1 Ų151.4 Ų51.41%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-89.7-28-176.9-60.8177.8000112.9L27 L28 M30 P38 L88 D90 D102 A132L27-L104 HydrophobicContact CD1-CD1 4.28Å; L28-L104 HydrophobicContact CB-CD2 4.15Å; M30-L104 HydrophobicContact CE-CD2 4.33Å; M30-L104 HydrophobicContact CG-CD2 3.59Å; P38-L104 HydrophobicContact CB-CD1 4.08Å; L88-L104 HydrophobicContact CB-CB 3.92Å; L88-L104 PolarHBondContact O-N 3.38Å; D90-L104 HydrophobicContact CB-CD1 4.17Å; D90-L104 HydrophobicContact CB-CD2 4.07Å; D90-L104 HydrophobicContact CB-CG 4.14Å; D102-L104 PolarHBondContact O-N 2.88Å; L104-A132 WeakPolarHBondContact O-CB 3.47Å
105G95.8Very high85.6Confident0 Ų042.5 Ų42.50%022%0.219CC..EExtended strand (participates in β ladder)trans153.9170.8178.200000113.3L88 V125L88-G105 PolarHBondContact N-O 2.9Å; G105-V125 CarbonylContact C-O 3.55Å; G105-V125 WeakPolarHBondContact CA-O 3.45Å
106Q97.2Very high86.7Confident21 Ų2137.1 Ų37.110%0.09819%0.193CC..EExtended strand (participates in β ladder)trans-136.4162.5174.562.1178.639.500112.9F86 E87 F103 V125F86-Q106 CarbonylContact O-C 3.55Å; F86-Q106 WeakPolarHBondContact O-CA 3.44Å; F86-Q106 WeakPolarHBondContact O-CB 3.19Å; E87-Q106 HydrophobicContact CG-CB 4.27Å; F103-Q106 HydrophobicContact CE2-CB 4.44Å; F103-Q106 HydrophobicContact CZ-CB 3.76Å; F103-Q106 HydrophobicContact CZ-CG 3.94Å; Q106-V125 HydrophobicContact CG-CG2 3.92Å; Q106-V125 WeakPolarHBondContact CG-O 3.41Å; Q106-V125 PolarHBondContact N-O 3.15Å; Q106-V125 WeakPolarHBondContact O-CG2 3.37Å; Q106-V125 PolarHBondContact O-N 3.42Å
107F97.4Very high87.6Confident25 Ų2539 Ų3911%0.1121%0.206CC..EExtended strand (participates in β ladder)trans-141.6136.3169.2173.2-117.5000110R85 F86 C109 L120 K122 L124 I137 I139R85-F107 WeakPolarHBondContact CA-O 3.43Å; F86-F107 AromaticContact CD2-CD1 4Å; F86-F107 HydrophobicContact CD2-CD1 4Å; F86-F107 HydrophobicContact CE2-CD1 4.49Å; F86-F107 PolarHBondContact N-O 2.57Å; F86-F107 PolarHBondContact O-N 3.24Å; F107-C109 HydrophobicContact CE1-CB 3.71Å; F107-C109 WeakPolarHBondContact CE1-SG 3.39Å; F107-C109 HydrophobicContact CE2-CB 4.46Å; F107-C109 HydrophobicContact CZ-CB 3.57Å; F107-L120 HydrophobicContact CE1-CD2 3.87Å; F107-L120 HydrophobicContact CZ-CD2 3.82Å; F107-L120 HydrophobicContact CZ-CG 4.46Å; F107-K122 HydrophobicContact CD2-CB 3.8Å; F107-K122 HydrophobicContact CD2-CG 4.39Å; F107-K122 HydrophobicContact CE1-CB 4.33Å; F107-K122 HydrophobicContact CE1-CG 4.33Å; F107-K122 HydrophobicContact CE2-CB 3.46Å; F107-K122 VanDerWaalsContact CE2-CB 3.46Å; F107-K122 HydrophobicContact CE2-CD 4.48Å; F107-K122 HydrophobicContact CE2-CG 3.55Å; F107-K122 HydrophobicContact CG-CB 4.4Å; F107-K122 HydrophobicContact CZ-CB 3.76Å; F107-K122 HydrophobicContact CZ-CG 3.51Å; F107-L124 HydrophobicContact CB-CD2 4.14Å; F107-I137 HydrophobicContact CB-CG2 3.62Å; F107-I137 HydrophobicContact CD1-CG2 3.82Å; F107-I137 HydrophobicContact CG-CG2 3.78Å; F107-I139 HydrophobicContact CD1-CD1 3.75Å; F107-I139 HydrophobicContact CE1-CD1 3.77Å
108E96.4Very high88.4Confident93 Ų9340 Ų4044%0.43521%0.205SC..EExtended strand (participates in β ladder)trans-117.3136.3175.9-70.4-173.617800110.3L84 R85L84-E108 WeakPolarHBondContact O-CA 3.39Å; R85-E108 HydrophobicContact CB-CG 3.98Å; R85-E108 HydrophobicContact CG-CG 3.76Å; R85-E108 IonicContact CZ-OE1 3.13Å; R85-E108 IonicContact NE-OE1 2.69Å; R85-E108 PolarHBondContact NE-OE1 2.67Å; R85-E108 IonicContact NH2-OE1 2.75Å; R85-E108 PolarHBondContact NH2-OE1 2.52Å
109C95.2Very high89.6Confident10 Ų1045.4 Ų45.47%0.06823%0.227CC..EExtended strand (participates in β ladder)trans-156.6-176.317461.30000110.4L84 F107 Q113 L120L84-C109 PolarHBondContact N-O 2.74Å; L84-C109 PolarHBondContact O-N 3.42Å; L84-C109 VanDerWaalsContact O-O 3.12Å; F107-C109 HydrophobicContact CE1-CB 3.71Å; F107-C109 WeakPolarHBondContact CE1-SG 3.39Å; F107-C109 HydrophobicContact CE2-CB 4.46Å; F107-C109 HydrophobicContact CZ-CB 3.57Å; C109-Q113 VanDerWaalsContact CB-OE1 3.3Å; C109-L120 HydrophobicContact CB-CD2 4.34Å
110T94.3Very high90.8Very high15 Ų1538.5 Ų38.59%0.09220%0.196CC..EExtended strand (participates in β ladder)trans-102.8154.9168.268.40000110.8V81 Q82 K83 G112 Q113 I114 D343V81-T110 HydrophobicContact CG1-CG2 3.81Å; Q82-T110 CarbonylContact O-C 3.56Å; Q82-T110 WeakPolarHBondContact O-CA 3.36Å; K83-T110 HydrophobicContact CG-CG2 4.49Å; T110-G112 PolarHBondContact O-N 3Å; T110-Q113 VanDerWaalsContact N-OE1 3.15Å; T110-Q113 PolarHBondContact O-N 3.02Å; T110-Q113 VanDerWaalsContact OG1-CG 3.27Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.34Å; T110-Q113 PolarHBondContact OG1-N 2.79Å; T110-Q113 VanDerWaalsContact OG1-N 3.15Å; T110-I114 PolarHBondContact O-N 3.04Å; T110-D343 VanDerWaalsContact CB-OD2 3.27Å; T110-D343 WeakPolarHBondContact CB-OD2 3.13Å; T110-D343 WeakPolarHBondContact CG2-OD2 3.4Å; T110-D343 PolarHBondContact OG1-OD2 2.81Å
111L94.3Very high91.9Very high0 Ų035.4 Ų35.40%019%0.186CC..Hα-helixtrans-59.1-37.2171.4-176.958.4000111.1V18 L20 L74 Y76 Q82 L84 Q113 I114 V115V18-L111 HydrophobicContact CG1-CD1 4.32Å; L20-L111 HydrophobicContact CD2-CD1 4.07Å; L74-L111 HydrophobicContact CD1-CD2 3.99Å; L74-L111 HydrophobicContact CD2-CD1 4.3Å; L74-L111 HydrophobicContact CD2-CD2 4.45Å; L74-L111 HydrophobicContact CG-CD2 4.1Å; Y76-L111 HydrophobicContact CD2-CD2 3.81Å; Y76-L111 HydrophobicContact CD2-CG 4.13Å; Y76-L111 HydrophobicContact CG-CD2 4.49Å; Q82-L111 HydrophobicContact CB-CB 3.95Å; Q82-L111 PolarHBondContact O-N 3.1Å; L84-L111 HydrophobicContact CD1-CB 4.07Å; L84-L111 HydrophobicContact CD1-CD1 4.09Å; L111-Q113 VanDerWaalsContact C-N 3.34Å; L111-Q113 PolarHBondContact O-N 2.85Å; L111-I114 PolarHBondContact O-N 2.73Å; L111-I114 VanDerWaalsContact O-N 3.14Å; L111-V115 HydrophobicContact CD1-CG1 4.14Å; L111-V115 HydrophobicContact CG-CG1 4.34Å; L111-V115 PolarHBondContact O-N 2.82Å
112G91.9Very high92.6Very high6 Ų639.4 Ų39.46%0.06220%0.202CC..Hα-helixtrans-52.2-48.117400000112.8T110 I114 V115 S116T110-G112 PolarHBondContact O-N 3Å; G112-I114 VanDerWaalsContact C-N 3.32Å; G112-I114 PolarHBondContact O-N 2.86Å; G112-V115 VanDerWaalsContact O-CG2 3.27Å; G112-V115 WeakPolarHBondContact O-CG2 3.43Å; G112-V115 PolarHBondContact O-N 2.84Å; G112-S116 WeakPolarHBondContact O-CB 3.42Å; G112-S116 PolarHBondContact O-N 2.98Å; G112-S116 PolarHBondContact O-OG 3.13Å; G112-S116 VanDerWaalsContact O-OG 3.05Å
113Q91.9Very high93.1Very high59 Ų5939.8 Ų39.828%0.27621%0.208SC..Hα-helixtrans-62.7-36.4178.1-73.3171.1-1900113.3C109 T110 L111 S116 S117 D343C109-Q113 VanDerWaalsContact CB-OE1 3.3Å; T110-Q113 VanDerWaalsContact N-OE1 3.15Å; T110-Q113 PolarHBondContact O-N 3.02Å; T110-Q113 VanDerWaalsContact OG1-CG 3.27Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.34Å; T110-Q113 PolarHBondContact OG1-N 2.79Å; T110-Q113 VanDerWaalsContact OG1-N 3.15Å; L111-Q113 VanDerWaalsContact C-N 3.34Å; L111-Q113 PolarHBondContact O-N 2.85Å; Q113-S116 PolarHBondContact O-OG 3.38Å; Q113-S117 WeakPolarHBondContact O-CB 3.32Å; Q113-S117 PolarHBondContact O-N 3.36Å; Q113-S117 PolarHBondContact O-OG 3.07Å; Q113-D343 HydrophobicContact CG-CB 4.23Å; Q113-D343 WeakPolarHBondContact CG-OD1 3.13Å
114I93.3Very high93.4Very high0 Ų038.6 Ų38.60%020%0.203CC..Hα-helixtrans-70.4-48179-58.9165.7000109.7L20 L84 F86 T110 L111 G112 S116 S117 K118 L120 I139 A141L20-I114 HydrophobicContact CD2-CD1 4.47Å; L20-I114 HydrophobicContact CD2-CG2 4.15Å; L84-I114 HydrophobicContact CD1-CD1 3.73Å; F86-I114 HydrophobicContact CE2-CD1 4.23Å; F86-I114 HydrophobicContact CZ-CD1 3.96Å; T110-I114 PolarHBondContact O-N 3.04Å; L111-I114 PolarHBondContact O-N 2.73Å; L111-I114 VanDerWaalsContact O-N 3.14Å; G112-I114 VanDerWaalsContact C-N 3.32Å; G112-I114 PolarHBondContact O-N 2.86Å; I114-S116 PolarHBondContact O-N 3.37Å; I114-S117 PolarHBondContact O-N 3.2Å; I114-K118 WeakPolarHBondContact O-CA 3.29Å; I114-K118 PolarHBondContact O-N 2.88Å; I114-L120 HydrophobicContact CG1-CD2 4.04Å; I114-I139 HydrophobicContact CD1-CG2 4.02Å; I114-I139 HydrophobicContact CG1-CG2 4.41Å; I114-I139 HydrophobicContact CG2-CB 4.47Å; I114-I139 HydrophobicContact CG2-CG2 3.74Å; I114-A141 HydrophobicContact CG2-CB 3.71Å
115V91.8Very high93.6Very high0 Ų040.6 Ų40.60%022%0.215CC..Hα-helixtrans-69.4-33.1-177.2-58.70000112.5V18 Y76 L111 G112 A141 L289 M293 Y344V18-V115 HydrophobicContact CG1-CG1 4.29Å; V18-V115 HydrophobicContact CG2-CG1 4.3Å; Y76-V115 HydrophobicContact CE2-CG2 4Å; L111-V115 HydrophobicContact CD1-CG1 4.14Å; L111-V115 HydrophobicContact CG-CG1 4.34Å; L111-V115 PolarHBondContact O-N 2.82Å; G112-V115 VanDerWaalsContact O-CG2 3.27Å; G112-V115 WeakPolarHBondContact O-CG2 3.43Å; G112-V115 PolarHBondContact O-N 2.84Å; V115-A141 HydrophobicContact CG1-CB 4.18Å; V115-L289 HydrophobicContact CB-CD2 4.01Å; V115-L289 HydrophobicContact CG1-CD2 4.38Å; V115-L289 HydrophobicContact CG2-CD2 3.95Å; V115-M293 HydrophobicContact CB-CE 3.78Å; V115-M293 HydrophobicContact CB-CG 4.46Å; V115-M293 HydrophobicContact CG1-CE 3.59Å; V115-M293 VanDerWaalsContact O-CG 3.29Å; V115-M293 WeakPolarHBondContact O-CG 3.39Å; V115-Y344 HydrophobicContact CG2-CE1 4.13Å
116S88.6Confident93.5Very high38 Ų3844.7 Ų44.727%0.26623%0.233SC..Hα-helixtrans-71.8-29.817663.60000113.3G112 Q113 I114 D343G112-S116 WeakPolarHBondContact O-CB 3.42Å; G112-S116 PolarHBondContact O-N 2.98Å; G112-S116 PolarHBondContact O-OG 3.13Å; G112-S116 VanDerWaalsContact O-OG 3.05Å; Q113-S116 PolarHBondContact O-OG 3.38Å; I114-S116 PolarHBondContact O-N 3.37Å; S116-D343 WeakPolarHBondContact CB-O 3.48Å; S116-D343 PolarHBondContact OG-O 3.46Å
117S85.6Confident93.2Very high64 Ų6451 Ų5145%0.44826%0.256SS..Hα-helixtrans-89.4-16.8177-57.10000113.4Q113 I114 K119Q113-S117 WeakPolarHBondContact O-CB 3.32Å; Q113-S117 PolarHBondContact O-N 3.36Å; Q113-S117 PolarHBondContact O-OG 3.07Å; I114-S117 PolarHBondContact O-N 3.2Å; S117-K119 PolarHBondContact O-N 2.72Å
118K81.8Confident92.9Very high78 Ų7854.9 Ų54.934%0.33928%0.278SS..SBendtrans60.3-42.6-167.5-175.5179-178.6174.10114.7I114 C140 A141I114-K118 WeakPolarHBondContact O-CA 3.29Å; I114-K118 PolarHBondContact O-N 2.88Å; K118-C140 WeakPolarHBondContact O-CA 3.41Å; K118-A141 PolarHBondContact O-N 2.96Å
119K91.1Very high92.7Very high129 Ų12958.8 Ų58.856%0.56129%0.293SS*.EExtended strand (participates in β ladder)trans-132.9122.2175.1178.8178.3-178.1-175.90109.4S117 T138 I139S117-K119 PolarHBondContact O-N 2.72Å; K119-T138 HydrophobicContact CD-CG2 4.37Å; K119-T138 VanDerWaalsContact CE-CG2 3.43Å; K119-T138 HydrophobicContact CG-CG2 4.07Å; K119-I139 CarbonylContact C-O 3.54Å; K119-I139 WeakPolarHBondContact CA-O 3.37Å
120L93.1Very high92.7Very high16 Ų1661.1 Ų61.18%0.08431%0.307CS..EExtended strand (participates in β ladder)trans-119.8117.8-179.4-17662.9000109.8F107 C109 I114 K122 T138 I139F107-L120 HydrophobicContact CE1-CD2 3.87Å; F107-L120 HydrophobicContact CZ-CD2 3.82Å; F107-L120 HydrophobicContact CZ-CG 4.46Å; C109-L120 HydrophobicContact CB-CD2 4.34Å; I114-L120 HydrophobicContact CG1-CD2 4.04Å; L120-K122 HydrophobicContact CD1-CD 4.43Å; L120-K122 HydrophobicContact CD1-CG 4.02Å; L120-K122 HydrophobicContact CG-CG 4.03Å; L120-T138 CarbonylContact O-C 3.54Å; L120-T138 WeakPolarHBondContact O-CA 3.22Å; L120-I139 PolarHBondContact N-O 2.75Å; L120-I139 PolarHBondContact O-N 3.34Å
121T96.5Very high92.7Very high70 Ų7065.1 Ų65.143%0.42933%0.334SS..EExtended strand (participates in β ladder)trans-113.1123.8173.8-600000109.8I137 T138T121-I137 CarbonylContact C-O 3.58Å; T121-I137 VanDerWaalsContact CA-O 3.29Å; T121-I137 WeakPolarHBondContact CA-O 3.39Å; T121-T138 WeakPolarHBondContact CG2-OG1 3.42Å; T121-T138 PolarHBondContact OG1-OG1 2.8Å
122K97.2Very high92.6Very high96 Ų9665.1 Ų65.142%0.41733%0.334SS..EExtended strand (participates in β ladder)trans-141.8151.1-175.6-69.1-66.9-177.5178.80112F107 L120 T136 I137F107-K122 HydrophobicContact CD2-CB 3.8Å; F107-K122 HydrophobicContact CD2-CG 4.39Å; F107-K122 HydrophobicContact CE1-CB 4.33Å; F107-K122 HydrophobicContact CE1-CG 4.33Å; F107-K122 HydrophobicContact CE2-CB 3.46Å; F107-K122 VanDerWaalsContact CE2-CB 3.46Å; F107-K122 HydrophobicContact CE2-CD 4.48Å; F107-K122 HydrophobicContact CE2-CG 3.55Å; F107-K122 HydrophobicContact CG-CB 4.4Å; F107-K122 HydrophobicContact CZ-CB 3.76Å; F107-K122 HydrophobicContact CZ-CG 3.51Å; L120-K122 HydrophobicContact CD1-CD 4.43Å; L120-K122 HydrophobicContact CD1-CG 4.02Å; L120-K122 HydrophobicContact CG-CG 4.03Å; K122-T136 CarbonylContact O-C 3.6Å; K122-T136 WeakPolarHBondContact O-CA 3.18Å; K122-I137 PolarHBondContact N-O 3.41Å; K122-I137 PolarHBondContact O-N 3.47Å
123P97.4Very high92.6Very high86 Ų8667.1 Ų67.156%0.55836%0.355SS*.EExtended strand (participates in β ladder)trans-68.8146.8174.630.1-35000111.1
124L97.2Very high92.7Very high3 Ų372.6 Ų72.62%0.01638%0.377CS..EExtended strand (participates in β ladder)trans-83147.8172.6-70.3168000110.8L27 L88 F107 A132 G135 I137L27-L124 HydrophobicContact CD2-CD1 3.42Å; L27-L124 VanDerWaalsContact CD2-CD1 3.42Å; L88-L124 HydrophobicContact CD2-CD2 3.94Å; L88-L124 HydrophobicContact CG-CD1 4.47Å; F107-L124 HydrophobicContact CB-CD2 4.14Å; L124-A132 HydrophobicContact CB-CB 3.94Å; L124-A132 PolarHBondContact O-N 2.97Å; L124-G135 PolarHBondContact N-O 3.23Å; L124-I137 HydrophobicContact CD2-CB 3.96Å; L124-I137 HydrophobicContact CD2-CG2 3.81Å; L124-I137 HydrophobicContact CG-CB 4.31Å; L124-I137 HydrophobicContact CG-CG2 4.3Å
125V96.7Very high92.8Very high44 Ų4472.7 Ų72.727%0.26738%0.378SS..EExtended strand (participates in β ladder)trans-123.2155.1174.5-620000111.2G105 Q106 T130G105-V125 CarbonylContact C-O 3.55Å; G105-V125 WeakPolarHBondContact CA-O 3.45Å; Q106-V125 HydrophobicContact CG-CG2 3.92Å; Q106-V125 WeakPolarHBondContact CG-O 3.41Å; Q106-V125 PolarHBondContact N-O 3.15Å; Q106-V125 WeakPolarHBondContact O-CG2 3.37Å; Q106-V125 PolarHBondContact O-N 3.42Å; V125-T130 CarbonylContact C-O 3.49Å; V125-T130 VanDerWaalsContact CA-O 3.29Å; V125-T130 WeakPolarHBondContact CA-O 3.44Å; V125-T130 WeakPolarHBondContact CB-O 3.49Å
126K93.8Very high93.1Very high86 Ų8674.4 Ų74.437%0.37439%0.389SS..  trans-74.9171.5170.5-67.3-173.4-176.9-174.20110.7D128 K129 T130 A132K126-D128 VanDerWaalsContact CB-OD1 3.26Å; K126-D128 WeakPolarHBondContact CB-OD1 3.35Å; K126-D128 PolarHBondContact O-N 3.45Å; K126-K129 WeakPolarHBondContact O-CA 3.28Å; K126-K129 PolarHBondContact O-N 3.21Å; K126-T130 PolarHBondContact N-O 3.33Å; K126-A132 HydrophobicContact CG-CB 4.11Å
127R91.8Very high93.6Very high153 Ų15372.6 Ų72.658%0.57738%0.376SS*.THydrogen-bonded Turntrans-59-28.6176.8-66.7-176.5178.6144.8-2.7113.2Y89 F103 K129Y89-R127 PolarHBondContact OH-NH2 3.33Å; F103-R127 HydrophobicContact CD1-CG 4.07Å; F103-R127 HydrophobicContact CE1-CG 3.68Å; F103-R127 HydrophobicContact CE2-CG 4.27Å; F103-R127 HydrophobicContact CG-CG 4.49Å; F103-R127 HydrophobicContact CZ-CG 3.77Å; R127-K129 PolarHBondContact O-N 3.08Å
128D91.8Very high94.2Very high106 Ų10670.3 Ų70.357%0.56736%0.36SS*.THydrogen-bonded Turntrans-83.98.6175.267.9-1000113.7K126 T130K126-D128 VanDerWaalsContact CB-OD1 3.26Å; K126-D128 WeakPolarHBondContact CB-OD1 3.35Å; K126-D128 PolarHBondContact O-N 3.45Å; D128-T130 PolarHBondContact O-N 3.47Å; D128-T130 WeakPolarHBondContact OD1-CB 3.33Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.24Å; D128-T130 PolarHBondContact OD1-N 3.13Å; D128-T130 PolarHBondContact OD1-OG1 2.9Å; D128-T130 PolarHBondContact OD2-OG1 3.32Å
129K92Very high94.9Very high175 Ų17566.6 Ų66.676%0.76134%0.343SS*.SBendtrans6610.1-177-52-178.4177.3-177.10115.1K126 R127K126-K129 WeakPolarHBondContact O-CA 3.28Å; K126-K129 PolarHBondContact O-N 3.21Å; R127-K129 PolarHBondContact O-N 3.08Å
130T94.4Very high95.1Very high59 Ų5962.4 Ų62.436%0.36233%0.33SS..SBendtrans-76.1156.6170.164.80000110.9V125 K126 D128 A132V125-T130 CarbonylContact C-O 3.49Å; V125-T130 VanDerWaalsContact CA-O 3.29Å; V125-T130 WeakPolarHBondContact CA-O 3.44Å; V125-T130 WeakPolarHBondContact CB-O 3.49Å; K126-T130 PolarHBondContact N-O 3.33Å; D128-T130 PolarHBondContact O-N 3.47Å; D128-T130 WeakPolarHBondContact OD1-CB 3.33Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.24Å; D128-T130 PolarHBondContact OD1-N 3.13Å; D128-T130 PolarHBondContact OD1-OG1 2.9Å; D128-T130 PolarHBondContact OD2-OG1 3.32Å; T130-A132 PolarHBondContact O-N 3.45Å
131P94.8Very high95Very high99 Ų9961.8 Ų61.864%0.64333%0.327SS*.EExtended strand (participates in β ladder)trans-57.8132.8177.8-2635.5000113.1G133P131-G133 VanDerWaalsContact C-N 3.26Å; P131-G133 PolarHBondContact O-N 3.36Å; P131-G133 VanDerWaalsContact O-N 3.09Å
132A92.8Very high94.7Very high1 Ų162.8 Ų62.81%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-85.766173.300000110.8L28 L104 L124 K126 T130 K134 G135L28-A132 HydrophobicContact CD1-CB 4.33Å; L104-A132 WeakPolarHBondContact O-CB 3.47Å; L124-A132 HydrophobicContact CB-CB 3.94Å; L124-A132 PolarHBondContact O-N 2.97Å; K126-A132 HydrophobicContact CG-CB 4.11Å; T130-A132 PolarHBondContact O-N 3.45Å; A132-K134 PolarHBondContact O-N 3.07Å; A132-G135 PolarHBondContact O-N 3.46Å
133G91.9Very high94.3Very high48 Ų4859.6 Ų59.650%0.49531%0.314SS..EExtended strand (participates in β ladder)trans65.2-133.4-175.800000112.1P131P131-G133 VanDerWaalsContact C-N 3.26Å; P131-G133 PolarHBondContact O-N 3.36Å; P131-G133 VanDerWaalsContact O-N 3.09Å
134K93.9Very high93.6Very high173 Ų17361.7 Ų61.775%0.75231%0.31SS*.EExtended strand (participates in β ladder)trans-1026.3174-64.7-178.2-177.7176.60112.6D26 A132 T136D26-K134 HydrophobicContact CB-CB 4.12Å; A132-K134 PolarHBondContact O-N 3.07Å; K134-T136 PolarHBondContact O-N 2.96Å
135G95.4Very high92.6Very high2 Ų266 Ų662%0.02133%0.334CS..EExtended strand (participates in β ladder)trans-59.2134.4-173.700000112.1D25 D26 L124 A132D25-G135 CarbonylContact O-C 3.55Å; D25-G135 VanDerWaalsContact O-CA 3.31Å; D25-G135 WeakPolarHBondContact O-CA 3.17Å; D26-G135 WeakPolarHBondContact O-CA 3.48Å; D26-G135 PolarHBondContact O-N 3.08Å; D26-G135 VanDerWaalsContact O-N 3.15Å; L124-G135 PolarHBondContact N-O 3.23Å; A132-G135 PolarHBondContact O-N 3.46Å
136T97.9Very high91.6Very high37 Ų3766.2 Ų66.223%0.22733%0.333CS..EExtended strand (participates in β ladder)trans-124.9151.6172.766.50000110.4C24 D25 K122 K134C24-T136 CarbonylContact C-O 3.52Å; C24-T136 WeakPolarHBondContact CA-O 3.29Å; C24-T136 VanDerWaalsContact CB-O 3.29Å; C24-T136 WeakPolarHBondContact CB-O 3.45Å; D25-T136 PolarHBondContact N-O 3.49Å; D25-T136 PolarHBondContact O-N 3.35Å; K122-T136 CarbonylContact O-C 3.6Å; K122-T136 WeakPolarHBondContact O-CA 3.18Å; K134-T136 PolarHBondContact O-N 2.96Å
137I98.1Very high91.1Very high0 Ų063 Ų630%032%0.32CS..EExtended strand (participates in β ladder)trans-115.6136.7171-177.1173.9000108.7I22 F86 L88 F107 T121 K122 L124 I139I22-I137 HydrophobicContact CG2-CD1 4.01Å; I22-I137 HydrophobicContact CG2-CG1 4.14Å; F86-I137 HydrophobicContact CB-CD1 3.62Å; F86-I137 HydrophobicContact CD1-CD1 4.04Å; F86-I137 HydrophobicContact CG-CD1 3.84Å; L88-I137 HydrophobicContact CD2-CD1 4.29Å; F107-I137 HydrophobicContact CB-CG2 3.62Å; F107-I137 HydrophobicContact CD1-CG2 3.82Å; F107-I137 HydrophobicContact CG-CG2 3.78Å; T121-I137 CarbonylContact C-O 3.58Å; T121-I137 VanDerWaalsContact CA-O 3.29Å; T121-I137 WeakPolarHBondContact CA-O 3.39Å; K122-I137 PolarHBondContact N-O 3.41Å; K122-I137 PolarHBondContact O-N 3.47Å; L124-I137 HydrophobicContact CD2-CB 3.96Å; L124-I137 HydrophobicContact CD2-CG2 3.81Å; L124-I137 HydrophobicContact CG-CB 4.31Å; L124-I137 HydrophobicContact CG-CG2 4.3Å; I137-I139 HydrophobicContact CD1-CD1 4.07Å; I137-I139 HydrophobicContact CD1-CG1 4.04Å; I137-I139 HydrophobicContact CG1-CD1 4.32Å; I137-I139 HydrophobicContact CG1-CG1 4.04Å
138T97.9Very high90.9Very high15 Ų1560.4 Ų60.49%0.09231%0.31CS..EExtended strand (participates in β ladder)trans-117.5123.4173.4-66.20000109A23 K119 L120 T121A23-T138 PolarHBondContact N-O 2.76Å; A23-T138 PolarHBondContact O-N 3.3Å; K119-T138 HydrophobicContact CD-CG2 4.37Å; K119-T138 VanDerWaalsContact CE-CG2 3.43Å; K119-T138 HydrophobicContact CG-CG2 4.07Å; L120-T138 CarbonylContact O-C 3.54Å; L120-T138 WeakPolarHBondContact O-CA 3.22Å; T121-T138 WeakPolarHBondContact CG2-OG1 3.42Å; T121-T138 PolarHBondContact OG1-OG1 2.8Å
139I97.3Very high90.9Very high0 Ų055.4 Ų55.40%028%0.283CS..EExtended strand (participates in β ladder)trans-118.6125.5178.3-57.8147.1000108.5L20 N21 F86 F107 I114 K119 L120 I137L20-I139 HydrophobicContact CB-CG2 4.38Å; L20-I139 HydrophobicContact CD2-CG2 4.29Å; N21-I139 WeakPolarHBondContact O-CA 3.31Å; F86-I139 HydrophobicContact CD1-CD1 4.2Å; F86-I139 HydrophobicContact CD1-CG1 4.43Å; F86-I139 HydrophobicContact CD2-CD1 3.81Å; F86-I139 HydrophobicContact CE1-CD1 3.89Å; F86-I139 HydrophobicContact CE1-CG1 4.04Å; F86-I139 HydrophobicContact CE2-CD1 3.49Å; F86-I139 VanDerWaalsContact CE2-CD1 3.49Å; F86-I139 HydrophobicContact CE2-CG1 4.49Å; F86-I139 HydrophobicContact CG-CD1 4.18Å; F86-I139 HydrophobicContact CZ-CD1 3.53Å; F86-I139 HydrophobicContact CZ-CG1 4.09Å; F86-I139 HydrophobicContact CZ-CG2 4.34Å; F107-I139 HydrophobicContact CD1-CD1 3.75Å; F107-I139 HydrophobicContact CE1-CD1 3.77Å; I114-I139 HydrophobicContact CD1-CG2 4.02Å; I114-I139 HydrophobicContact CG1-CG2 4.41Å; I114-I139 HydrophobicContact CG2-CB 4.47Å; I114-I139 HydrophobicContact CG2-CG2 3.74Å; K119-I139 CarbonylContact C-O 3.54Å; K119-I139 WeakPolarHBondContact CA-O 3.37Å; L120-I139 PolarHBondContact N-O 2.75Å; L120-I139 PolarHBondContact O-N 3.34Å; I137-I139 HydrophobicContact CD1-CD1 4.07Å; I137-I139 HydrophobicContact CD1-CG1 4.04Å; I137-I139 HydrophobicContact CG1-CD1 4.32Å; I137-I139 HydrophobicContact CG1-CG1 4.04Å
140C94.3Very high91Very high41 Ų4147 Ų4728%0.27725%0.247SC..EExtended strand (participates in β ladder)trans-111.2132.5172.6-63.10000109.5L20 N21 K118L20-C140 WeakPolarHBondContact CA-O 3.25Å; N21-C140 HydrophobicContact CB-CB 4.31Å; N21-C140 PolarHBondContact N-O 2.85Å; N21-C140 PolarHBondContact O-N 3.31Å; K118-C140 WeakPolarHBondContact O-CA 3.41Å
141A92.8Very high91Very high3 Ų344.9 Ų44.93%0.02524%0.235CC..EExtended strand (participates in β ladder)trans-102.9139.8174.500000111.7V18 A19 L20 I114 V115 K118 M293V18-A141 HydrophobicContact CG1-CB 3.88Å; A19-A141 WeakPolarHBondContact O-CA 3.42Å; L20-A141 HydrophobicContact CD2-CB 4.05Å; I114-A141 HydrophobicContact CG2-CB 3.71Å; V115-A141 HydrophobicContact CG1-CB 4.18Å; K118-A141 PolarHBondContact O-N 2.96Å; A141-M293 HydrophobicContact CB-CE 3.91Å
142E89.9Confident91Very high91 Ų9140.3 Ų40.343%0.42521%0.205SC..EExtended strand (participates in β ladder)trans-131.7133.8173-70.1172.4-174.500109.8V18 A19 N21 R144V18-E142 CarbonylContact C-O 3.37Å; V18-E142 WeakPolarHBondContact CA-O 3.45Å; A19-E142 PolarHBondContact N-O 3.17Å; A19-E142 PolarHBondContact O-N 3.35Å; N21-E142 PolarHBondContact ND2-OE1 3.43Å; E142-R144 IonicContact OE2-NH2 3.29Å
143E88.8Confident91.2Very high30 Ų3043.7 Ų43.714%0.1422%0.221CC..EExtended strand (participates in β ladder)trans-71130.5171.4-164.3179.7175.100110.7T16 N145 N147 T287 L289 M293T16-E143 HydrophobicContact CG2-CG 3.25Å; T16-E143 WeakPolarHBondContact CG2-OE1 3.36Å; E143-N145 HydrophobicContact CG-CB 4.36Å; E143-N147 PolarHBondContact OE2-ND2 3.27Å; E143-T287 WeakPolarHBondContact OE1-CB 3.43Å; E143-T287 WeakPolarHBondContact OE1-CG2 3.35Å; E143-T287 PolarHBondContact OE1-OG1 3.42Å; E143-T287 PolarHBondContact OE2-OG1 3.08Å; E143-L289 HydrophobicContact CG-CB 4.45Å; E143-L289 HydrophobicContact CG-CD1 4.32Å; E143-M293 HydrophobicContact CB-SD 4.49Å
144R81.9Confident91.5Very high129 Ų12941.5 Ų41.549%0.48720%0.198SC..EExtended strand (participates in β ladder)trans-106.175.3176.4-66.1-65.8-173.5166.9-1.1109.3K17 A19 E142K17-R144 HydrophobicContact CB-CB 3.99Å; K17-R144 PolarHBondContact O-N 3.24Å; A19-R144 HydrophobicContact CB-CG 3.62Å; E142-R144 IonicContact OE2-NH2 3.29Å
145N75.7Confident91.6Very high95 Ų9533.5 Ų33.551%0.50816%0.164SC..SBendtrans-143.7145.6172.8-166.412.1000110.8E143 N147E143-N145 HydrophobicContact CG-CB 4.36Å; N145-N147 WeakPolarHBondContact CB-OD1 3.46Å; N145-N147 PolarHBondContact ND2-OD1 3.03Å; N145-N147 VanDerWaalsContact ND2-OD1 3.07Å; N145-N147 PolarHBondContact O-N 3.35Å; N145-N147 VanDerWaalsContact O-N 3.17Å
146D77.1Confident91.8Very high48 Ų4833.6 Ų33.626%0.25717%0.165SC..  trans-8585.8171.4-169.2-8000109.2R148 I206D146-R148 PolarHBondContact O-N 2.78Å; D146-R148 VanDerWaalsContact OD1-CB 3.23Å; D146-R148 WeakPolarHBondContact OD1-CB 3.29Å; D146-R148 VanDerWaalsContact OD1-CG 3.22Å; D146-R148 WeakPolarHBondContact OD1-CG 3.37Å; D146-R148 IonicContact OD1-CZ 3.42Å; D146-R148 PolarHBondContact OD1-N 3.46Å; D146-R148 IonicContact OD1-NE 2.74Å; D146-R148 PolarHBondContact OD1-NE 2.89Å; D146-R148 IonicContact OD1-NH2 3.82Å; D146-R148 IonicContact OD2-CZ 2.68Å; D146-R148 IonicContact OD2-NE 2.67Å; D146-R148 PolarHBondContact OD2-NE 2.8Å; D146-R148 IonicContact OD2-NH2 3.63Å; D146-R148 PolarHBondContact OD2-NH2 2.83Å; D146-I206 WeakPolarHBondContact OD2-CG2 3.32Å
147N81.8Confident91.7Very high19 Ų1935.8 Ų35.810%0.10217%0.169CC..  trans-76.216.7-178-67.7-3.4000112.7E143 N145 K284 E285 T287 D290E143-N147 PolarHBondContact OE2-ND2 3.27Å; N145-N147 WeakPolarHBondContact CB-OD1 3.46Å; N145-N147 PolarHBondContact ND2-OD1 3.03Å; N145-N147 VanDerWaalsContact ND2-OD1 3.07Å; N145-N147 PolarHBondContact O-N 3.35Å; N145-N147 VanDerWaalsContact O-N 3.17Å; N147-K284 HydrophobicContact CB-CG 4.43Å; N147-E285 WeakPolarHBondContact CB-O 3.38Å; N147-E285 PolarHBondContact O-N 3.13Å; N147-T287 VanDerWaalsContact CG-CG2 3.44Å; N147-T287 WeakPolarHBondContact ND2-CG2 3.33Å; N147-T287 WeakPolarHBondContact OD1-CG2 3.37Å; N147-D290 PolarHBondContact ND2-OD2 3.09Å
148R88.8Confident91.7Very high98 Ų9840 Ų4037%0.3720%0.198SC..EExtended strand (participates in β ladder)trans-85.5134.3178.3-62.5176.9-62.6162.95.4110.6D146 I206 G212 I282 V283D146-R148 PolarHBondContact O-N 2.78Å; D146-R148 VanDerWaalsContact OD1-CB 3.23Å; D146-R148 WeakPolarHBondContact OD1-CB 3.29Å; D146-R148 VanDerWaalsContact OD1-CG 3.22Å; D146-R148 WeakPolarHBondContact OD1-CG 3.37Å; D146-R148 IonicContact OD1-CZ 3.42Å; D146-R148 PolarHBondContact OD1-N 3.46Å; D146-R148 IonicContact OD1-NE 2.74Å; D146-R148 PolarHBondContact OD1-NE 2.89Å; D146-R148 IonicContact OD1-NH2 3.82Å; D146-R148 IonicContact OD2-CZ 2.68Å; D146-R148 IonicContact OD2-NE 2.67Å; D146-R148 PolarHBondContact OD2-NE 2.8Å; D146-R148 IonicContact OD2-NH2 3.63Å; D146-R148 PolarHBondContact OD2-NH2 2.83Å; R148-I206 HydrophobicContact CB-CB 4.39Å; R148-I206 HydrophobicContact CB-CG2 3.88Å; R148-I206 WeakPolarHBondContact O-CB 3.35Å; R148-I206 WeakPolarHBondContact O-CG2 3.32Å; R148-I206 PolarHBondContact O-N 2.59Å; R148-G212 PolarHBondContact NH2-O 3.36Å; R148-I282 HydrophobicContact CB-CG2 3.97Å; R148-I282 HydrophobicContact CG-CG2 4.2Å; R148-V283 WeakPolarHBondContact CA-O 3.47Å
149A91.4Very high91.6Very high0 Ų039.4 Ų39.40%019%0.194CC..EExtended strand (participates in β ladder)trans-125.7154.6169.300000111R203 I204 I282 V283 E285A149-R203 HydrophobicContact CB-CB 4.34Å; A149-I204 CarbonylContact C-O 3.59Å; A149-I204 WeakPolarHBondContact CA-O 3.45Å; A149-I282 WeakPolarHBondContact O-CA 3.46Å; A149-V283 HydrophobicContact CB-CG2 4.47Å; A149-V283 PolarHBondContact N-O 3.38Å; A149-V283 WeakPolarHBondContact O-CG2 3.38Å; A149-V283 PolarHBondContact O-N 3.19Å; A149-E285 VanDerWaalsContact CB-CD 3.43Å; A149-E285 HydrophobicContact CB-CG 3.6Å
150V94.1Very high91.4Very high0 Ų041 Ų410%020%0.203CC..EExtended strand (participates in β ladder)trans-97.2111.9176-170.60000108.6L152 R203 I204 L209 L241 C280V150-L152 HydrophobicContact CG1-CD1 4.31Å; V150-L152 HydrophobicContact CG1-CD2 3.97Å; V150-L152 HydrophobicContact CG1-CG 3.91Å; V150-R203 VanDerWaalsContact O-CA 3.29Å; V150-R203 WeakPolarHBondContact O-CA 3.49Å; V150-I204 PolarHBondContact N-O 3.08Å; V150-I204 PolarHBondContact O-N 3.25Å; V150-I204 VanDerWaalsContact O-N 3.11Å; V150-L209 HydrophobicContact CG2-CD2 4.25Å; V150-L241 HydrophobicContact CB-CD2 4.37Å; V150-L241 HydrophobicContact CG1-CD2 3.8Å; V150-L241 HydrophobicContact CG2-CD1 3.53Å; V150-L241 HydrophobicContact CG2-CD2 3.85Å; V150-L241 HydrophobicContact CG2-CG 4.35Å; V150-C280 VanDerWaalsContact CG1-SG 3.57Å
151A94.5Very high91.3Very high13 Ų1344.4 Ų44.411%0.10721%0.213CC..EExtended strand (participates in β ladder)trans-83.1120.6172.400000110.4R203 C280 K281 V283A151-R203 HydrophobicContact CB-CG 4.08Å; A151-C280 WeakPolarHBondContact O-CA 3.27Å; A151-K281 PolarHBondContact N-O 2.86Å; A151-K281 PolarHBondContact O-N 2.93Å; A151-V283 HydrophobicContact CB-CG1 4.23Å; A151-V283 HydrophobicContact CB-CG2 4.17Å
152L95.4Very high91.1Very high3 Ų347.3 Ų47.32%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-121.1136.5-172.2-69.4165.5000111.9V150 I154 F174 P201 F202 I204 I277 Q279 C280V150-L152 HydrophobicContact CG1-CD1 4.31Å; V150-L152 HydrophobicContact CG1-CD2 3.97Å; V150-L152 HydrophobicContact CG1-CG 3.91Å; L152-I154 HydrophobicContact CB-CD1 4.19Å; L152-I154 HydrophobicContact CB-CG1 4.22Å; L152-I154 HydrophobicContact CD1-CD1 4.49Å; L152-F174 HydrophobicContact CD1-CE1 4.14Å; L152-P201 WeakPolarHBondContact O-CA 3.41Å; L152-F202 HydrophobicContact CB-CD2 4.4Å; L152-F202 HydrophobicContact CB-CE1 4.36Å; L152-F202 HydrophobicContact CB-CE2 3.9Å; L152-F202 HydrophobicContact CB-CZ 3.88Å; L152-F202 HydrophobicContact CD1-CD2 4.5Å; L152-F202 HydrophobicContact CD1-CE2 3.58Å; L152-F202 HydrophobicContact CD1-CZ 3.93Å; L152-F202 HydrophobicContact CG-CE2 4.35Å; L152-F202 PolarHBondContact N-O 3.39Å; L152-F202 PolarHBondContact O-N 3.36Å; L152-I204 HydrophobicContact CD1-CD1 4.16Å; L152-I277 HydrophobicContact CD2-CG2 3.92Å; L152-Q279 WeakPolarHBondContact CA-O 3.38Å; L152-C280 HydrophobicContact CD2-CB 3.91Å
153E96.3Very high90.7Very high73 Ų7345 Ų4534%0.34122%0.215SC..EExtended strand (participates in β ladder)trans-123.1120.5165.5-63.7-174.4-169.100108.9P201 K278 Q279E153-P201 HydrophobicContact CG-CB 4.06Å; E153-P201 HydrophobicContact CG-CG 4.07Å; E153-K278 HydrophobicContact CB-CB 4.28Å; E153-K278 PolarHBondContact O-N 3.25Å; E153-Q279 HydrophobicContact CB-CB 3.9Å; E153-Q279 HydrophobicContact CG-CB 4Å; E153-Q279 PolarHBondContact N-O 3.28Å; E153-Q279 VanDerWaalsContact N-O 3.08Å; E153-Q279 PolarHBondContact O-N 3.12Å
154I97.4Very high90.1Very high2 Ų252.9 Ų52.91%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-130.9139.4-168-51.7-175.5000110.3L152 L172 F174 W199 F202 I275 I276 I277L152-I154 HydrophobicContact CB-CD1 4.19Å; L152-I154 HydrophobicContact CB-CG1 4.22Å; L152-I154 HydrophobicContact CD1-CD1 4.49Å; I154-L172 HydrophobicContact CD1-CD1 4.45Å; I154-L172 HydrophobicContact CG2-CD1 3.79Å; I154-F174 HydrophobicContact CD1-CE1 4.19Å; I154-F174 HydrophobicContact CD1-CE2 4.34Å; I154-F174 HydrophobicContact CD1-CZ 3.44Å; I154-F174 VanDerWaalsContact CD1-CZ 3.44Å; I154-W199 HydrophobicContact CB-CE3 4.2Å; I154-W199 HydrophobicContact CG2-CE3 3.9Å; I154-W199 HydrophobicContact CG2-CZ3 3.95Å; I154-W199 PolarHBondContact O-N 3.23Å; I154-W199 VanDerWaalsContact O-N 3.1Å; I154-F202 HydrophobicContact CD1-CE1 4.01Å; I154-F202 HydrophobicContact CD1-CZ 3.66Å; I154-F202 HydrophobicContact CG1-CE1 4.36Å; I154-F202 HydrophobicContact CG1-CZ 4.42Å; I154-I275 HydrophobicContact CG2-CG2 3.78Å; I154-I276 WeakPolarHBondContact CA-O 3.41Å; I154-I277 HydrophobicContact CD1-CG1 4.3Å; I154-I277 HydrophobicContact CG1-CG1 4.29Å; I154-I277 HydrophobicContact CG1-CG2 4.43Å
155A97.8Very high89.7Confident5 Ų556.9 Ų56.94%0.04127%0.271CS..EExtended strand (participates in β ladder)trans-130.7168.6169.100000109.8P197 I198 I276A155-P197 CarbonylContact C-O 3.55Å; A155-P197 WeakPolarHBondContact CA-O 3.29Å; A155-I198 HydrophobicContact CB-CG1 4Å; A155-I276 PolarHBondContact N-O 2.93Å; A155-I276 PolarHBondContact O-N 3.02Å
156A97.9Very high90Very high4 Ų453.7 Ų53.73%0.03326%0.26CS..EExtended strand (participates in β ladder)trans-133.1165.5166.400000110.7L159 N196 P197 W199 I274 I275A156-L159 HydrophobicContact CB-CD1 3.84Å; A156-L159 HydrophobicContact CB-CD2 3.92Å; A156-L159 HydrophobicContact CB-CG 3.87Å; A156-N196 CarbonylContact O-C 3.6Å; A156-N196 WeakPolarHBondContact O-CA 3.5Å; A156-P197 HydrophobicContact CB-CG 3.86Å; A156-P197 PolarHBondContact N-O 2.87Å; A156-W199 HydrophobicContact CB-CH2 3.71Å; A156-W199 HydrophobicContact CB-CZ3 3.8Å; A156-I274 CarbonylContact C-O 3.49Å; A156-I274 WeakPolarHBondContact CA-O 3.46Å; A156-I274 WeakPolarHBondContact CB-O 3.42Å; A156-I275 HydrophobicContact CB-CD1 3.54Å
157R97.4Very high90.6Very high83 Ų8356.3 Ų56.331%0.31327%0.269SS..EExtended strand (participates in β ladder)trans-141.7148.9171.165.8-179.9-179-114.3-0.3112L159 L195 N196 E254 G273 I274 I276R157-L159 PolarHBondContact O-N 3.32Å; R157-L195 CarbonylContact C-O 3.35Å; R157-N196 VanDerWaalsContact CA-OD1 3.25Å; R157-N196 WeakPolarHBondContact CA-OD1 3.2Å; R157-E254 IonicContact CZ-OE1 3.93Å; R157-E254 IonicContact CZ-OE2 3.73Å; R157-E254 IonicContact NH1-OE1 3.32Å; R157-E254 PolarHBondContact NH1-OE1 3Å; R157-E254 IonicContact NH1-OE2 3.2Å; R157-E254 IonicContact NH2-OE1 2.88Å; R157-E254 PolarHBondContact NH2-OE1 3.46Å; R157-E254 VanDerWaalsContact NH2-OE1 3.15Å; R157-E254 IonicContact NH2-OE2 2.9Å; R157-E254 PolarHBondContact NH2-OE2 3.11Å; R157-G273 WeakPolarHBondContact O-CA 3.06Å; R157-I274 HydrophobicContact CG-CB 4.02Å; R157-I274 PolarHBondContact N-O 2.8Å; R157-I274 PolarHBondContact O-N 3.16Å; R157-I276 HydrophobicContact CB-CD1 4.45Å; R157-I276 HydrophobicContact CG-CD1 4.05Å
158S96.4Very high91.1Very high87 Ų8755.4 Ų55.461%0.60826%0.264SS*.SBendtrans52.739.1176.2-55.40000113.2L195 N196 G273S158-L195 PolarHBondContact N-O 2.92Å; S158-L195 VanDerWaalsContact N-O 3.15Å; S158-N196 PolarHBondContact N-OD1 3.17Å; S158-G273 WeakPolarHBondContact O-CA 3.12Å
159L96.8Very high91.4Very high4 Ų452 Ų522%0.02125%0.254CS..PPolyproline II helixtrans-60.5146.2173.7-65.5177.7000110.6A156 R157 K161 P170 L195 P197 I234 S272 I275A156-L159 HydrophobicContact CB-CD1 3.84Å; A156-L159 HydrophobicContact CB-CD2 3.92Å; A156-L159 HydrophobicContact CB-CG 3.87Å; R157-L159 PolarHBondContact O-N 3.32Å; L159-K161 PolarHBondContact O-N 2.85Å; L159-P170 HydrophobicContact CD1-CB 3.64Å; L159-P170 HydrophobicContact CD1-CG 3.8Å; L159-L195 HydrophobicContact CB-CB 4.42Å; L159-L195 HydrophobicContact CB-CD2 4.5Å; L159-L195 PolarHBondContact N-O 3.47Å; L159-L195 WeakPolarHBondContact O-CD2 3.39Å; L159-P197 HydrophobicContact CD1-CG 3.76Å; L159-I234 HydrophobicContact CD2-CG2 4.32Å; L159-S272 WeakPolarHBondContact CA-O 3.39Å; L159-I275 HydrophobicContact CD2-CD1 4.14Å
160D92.8Very high91.7Very high33 Ų3352 Ų5218%0.17625%0.254CS..PPolyproline II helixtrans-59.6131.3173.6-91-19.5000110.7S168 I234 K262 S272D160-S168 PolarHBondContact O-OG 3.26Å; D160-I234 HydrophobicContact CB-CG2 4.35Å; D160-K262 IonicContact OD1-NZ 2.87Å; D160-K262 PolarHBondContact OD1-NZ 3.29Å; D160-K262 IonicContact OD2-NZ 2.57Å; D160-K262 PolarHBondContact OD2-NZ 3.25Å; D160-S272 PolarHBondContact N-O 3.49Å; D160-S272 WeakPolarHBondContact OD2-CB 3.45Å; D160-S272 PolarHBondContact OD2-OG 3.17Å; D160-S272 VanDerWaalsContact OD2-OG 3.09Å
161K91.7Very high91.8Very high113 Ų11352.1 Ų52.149%0.49125%0.254SS..PPolyproline II helixtrans-70.6127.5166.6178.1174.9161.5164.10109.8L159 D163 F164 G166 S168 L195L159-K161 PolarHBondContact O-N 2.85Å; K161-D163 WeakPolarHBondContact CE-O 3.39Å; K161-F164 PolarHBondContact NZ-O 3.03Å; K161-G166 VanDerWaalsContact CD-O 3.27Å; K161-G166 WeakPolarHBondContact CD-O 3.37Å; K161-G166 WeakPolarHBondContact CE-O 3.49Å; K161-G166 PolarHBondContact NZ-O 3.35Å; K161-S168 WeakPolarHBondContact CA-OG 3.41Å; K161-L195 HydrophobicContact CB-CD1 4.28Å; K161-L195 HydrophobicContact CB-CD2 4.34Å
162K89.2Confident92Very high64 Ų6451.5 Ų51.528%0.27825%0.249SC..  trans-110.9-39.2180-68.8-61.1-170.3164.40112.7S168 D224 D232 F233 I234K162-S168 PolarHBondContact N-OG 2.89Å; K162-D224 HydrophobicContact CB-CB 3.91Å; K162-D224 WeakPolarHBondContact CB-OD2 3.39Å; K162-D224 HydrophobicContact CG-CB 3.89Å; K162-D232 HydrophobicContact CB-CB 4.31Å; K162-D232 HydrophobicContact CD-CB 4.45Å; K162-D232 HydrophobicContact CG-CB 4.28Å; K162-F233 VanDerWaalsContact CE-O 3.23Å; K162-F233 WeakPolarHBondContact CE-O 3.39Å; K162-F233 PolarHBondContact NZ-O 3.09Å; K162-I234 HydrophobicContact CG-CG1 4.06Å
163D82.3Confident92.2Very high41 Ų4151.9 Ų51.922%0.21925%0.251CS..  trans-66.8143.2175.3-67.9-52000114.6K161K161-D163 WeakPolarHBondContact CE-O 3.39Å
164F75.9Confident92.3Very high196 Ų19648.5 Ų48.586%0.8624%0.235SC*.SBendtrans-69-48.4171-86.4-91.4000111.6K161K161-F164 PolarHBondContact NZ-O 3.03Å
165F73.3Confident92.3Very high214 Ų21450.1 Ų50.194%0.93924%0.241SC*.SBendtrans-112.371.2-178.9-69.5-80000111.6
166G81.8Confident92.1Very high27 Ų2751.5 Ų51.528%0.27825%0.246SC..SBendtrans164.5-165.5178.600000112.9K161K161-G166 VanDerWaalsContact CD-O 3.27Å; K161-G166 WeakPolarHBondContact CD-O 3.37Å; K161-G166 WeakPolarHBondContact CE-O 3.49Å; K161-G166 PolarHBondContact NZ-O 3.35Å
167K90.1Very high91.9Very high103 Ų10355.8 Ų55.845%0.44827%0.265SS..  trans-110.2159.5156.5-71171.5-179.1174.10105.6C193 L195K167-C193 WeakPolarHBondContact CD-O 3.5Å; K167-L195 HydrophobicContact CB-CD2 4.02Å; K167-L195 HydrophobicContact CB-CG 4.01Å; K167-L195 HydrophobicContact CD-CG 4.17Å; K167-L195 HydrophobicContact CG-CD1 4.28Å; K167-L195 HydrophobicContact CG-CG 4.02Å
168S92.4Very high91.6Very high0 Ų053.7 Ų53.70%026%0.262CS..  trans-54.2151.5175.4-44.70000111.9D160 K161 K162 P170 C193 N194 D224D160-S168 PolarHBondContact O-OG 3.26Å; K161-S168 WeakPolarHBondContact CA-OG 3.41Å; K162-S168 PolarHBondContact N-OG 2.89Å; S168-P170 WeakPolarHBondContact O-CD 3.3Å; S168-C193 CarbonylContact O-C 3.56Å; S168-C193 WeakPolarHBondContact O-CA 3.44Å; S168-C193 PolarHBondContact O-N 3.35Å; S168-N194 PolarHBondContact O-N 3.28Å; S168-D224 WeakPolarHBondContact CA-OD1 3.5Å; S168-D224 VanDerWaalsContact CB-OD1 3.22Å; S168-D224 WeakPolarHBondContact CB-OD1 3.4Å
169D94.7Very high91.3Very high27 Ų2759.3 Ų59.314%0.14428%0.279CS..  trans-101.871.2170.8-67.6-19.2000110V190 V191 K192 C193 D224 Y225D169-V190 HydrophobicContact CB-CG1 3.85Å; D169-V191 CarbonylContact C-O 3.53Å; D169-V191 WeakPolarHBondContact CA-O 3.44Å; D169-K192 WeakPolarHBondContact OD1-CA 3.42Å; D169-C193 PolarHBondContact OD1-N 3.17Å; D169-D224 PolarHBondContact N-OD1 2.91Å; D169-Y225 WeakPolarHBondContact O-CB 3.5Å; D169-Y225 PolarHBondContact O-N 3.37Å
170P96.9Very high90.9Very high0 Ų065.9 Ų65.90%032%0.319CS..EExtended strand (participates in β ladder)trans-74.2146-167.430.7-41.7000115.2L159 S168 V191 N194 P197 W199 Y223 I234L159-P170 HydrophobicContact CD1-CB 3.64Å; L159-P170 HydrophobicContact CD1-CG 3.8Å; S168-P170 WeakPolarHBondContact O-CD 3.3Å; P170-V191 WeakPolarHBondContact CD-O 3.5Å; P170-V191 PolarHBondContact O-N 3.21Å; P170-V191 VanDerWaalsContact O-N 3.08Å; P170-N194 WeakPolarHBondContact CD-O 3.38Å; P170-N194 WeakPolarHBondContact CG-O 3.48Å; P170-P197 HydrophobicContact CB-CG 4.32Å; P170-P197 HydrophobicContact CG-CB 3.9Å; P170-P197 HydrophobicContact CG-CG 3.57Å; P170-W199 HydrophobicContact CB-CZ2 4.11Å; P170-W199 HydrophobicContact CG-CZ2 4.41Å; P170-W199 PolarHBondContact O-NE1 3.13Å; P170-Y223 CarbonylContact C-O 3.49Å; P170-Y223 WeakPolarHBondContact CA-O 3.46Å; P170-I234 HydrophobicContact CB-CD1 4.29Å
171F97.9Very high90.9Very high3 Ų365.7 Ų65.71%0.01333%0.325CS..EExtended strand (participates in β ladder)trans-139.9163.2164.969.2-82.4000110.8E173 R187 V190 Y223 Y225 H231F171-E173 HydrophobicContact CD2-CG 4.11Å; F171-E173 HydrophobicContact CE2-CG 3.76Å; F171-R187 HydrophobicContact CD2-CG 3.8Å; F171-R187 HydrophobicContact CE2-CG 4.17Å; F171-V190 HydrophobicContact CB-CG2 4.15Å; F171-V190 HydrophobicContact CD1-CG2 4.12Å; F171-V190 HydrophobicContact CG-CG2 4.32Å; F171-Y223 VanDerWaalsContact CE1-CB 3.4Å; F171-Y223 HydrophobicContact CE1-CG 4.43Å; F171-Y223 HydrophobicContact CE2-CD2 4.13Å; F171-Y223 HydrophobicContact CE2-CG 4.36Å; F171-Y223 HydrophobicContact CZ-CD2 4.18Å; F171-Y223 AromaticContact CZ-CG 3.96Å; F171-Y223 HydrophobicContact CZ-CG 3.96Å; F171-Y223 PolarHBondContact N-O 2.72Å; F171-Y223 PolarHBondContact O-N 3.11Å; F171-Y225 HydrophobicContact CE1-CD2 4.47Å; F171-H231 HydrophobicContact CE1-CB 4.11Å; F171-H231 AromaticContact CE1-CG 3.86Å; F171-H231 HydrophobicContact CZ-CB 4.06Å; F171-H231 AromaticContact CZ-CD2 3.54Å; F171-H231 AromaticContact CZ-CG 3.79Å
172L98.4Very high91.1Very high0 Ų064.9 Ų64.90%032%0.319CS..EExtended strand (participates in β ladder)trans-114.9147.9178.9-57.7178.8000111.4I154 F174 R187 T188 W199 I220 D221 C222 I275I154-L172 HydrophobicContact CD1-CD1 4.45Å; I154-L172 HydrophobicContact CG2-CD1 3.79Å; L172-F174 HydrophobicContact CB-CE2 3.95Å; L172-F174 HydrophobicContact CD1-CE2 4.36Å; L172-F174 HydrophobicContact CD1-CZ 4.44Å; L172-R187 WeakPolarHBondContact O-CA 2.93Å; L172-T188 HydrophobicContact CB-CG2 3.9Å; L172-T188 PolarHBondContact N-OG1 2.81Å; L172-T188 PolarHBondContact O-N 3.42Å; L172-W199 HydrophobicContact CD1-CD2 4.26Å; L172-W199 HydrophobicContact CD1-CE3 3.89Å; L172-W199 HydrophobicContact CD1-CH2 3.84Å; L172-W199 HydrophobicContact CD1-CZ2 4.22Å; L172-W199 HydrophobicContact CD1-CZ3 3.67Å; L172-W199 HydrophobicContact CD2-CH2 3.8Å; L172-W199 HydrophobicContact CD2-CZ2 4.03Å; L172-W199 HydrophobicContact CD2-CZ3 4.45Å; L172-W199 HydrophobicContact CG-CD2 4.39Å; L172-W199 HydrophobicContact CG-CE3 4.39Å; L172-W199 HydrophobicContact CG-CH2 3.71Å; L172-W199 HydrophobicContact CG-CZ2 3.71Å; L172-W199 HydrophobicContact CG-CZ3 4.08Å; L172-I220 HydrophobicContact CD2-CG2 4.44Å; L172-D221 CarbonylContact C-O 3.59Å; L172-D221 WeakPolarHBondContact CA-O 3.2Å; L172-C222 HydrophobicContact CD2-CB 3.64Å; L172-I275 HydrophobicContact CD1-CG2 4.46Å; L172-I275 HydrophobicContact CD2-CD1 3.96Å
173E98.3Very high91.4Very high10 Ų1066.8 Ų66.85%0.04733%0.329CS..EExtended strand (participates in β ladder)trans-126.2125.6171.7-68-173.5147.900110.2F171 Y175 L184 H186 R187 I220 D221 Y223F171-E173 HydrophobicContact CD2-CG 4.11Å; F171-E173 HydrophobicContact CE2-CG 3.76Å; E173-Y175 HydrophobicContact CB-CD2 4.23Å; E173-Y175 HydrophobicContact CB-CE2 3.41Å; E173-Y175 VanDerWaalsContact CB-CE2 3.41Å; E173-Y175 PolarHBondContact OE2-OH 3.45Å; E173-L184 HydrophobicContact CB-CD1 3.7Å; E173-L184 HydrophobicContact CG-CD1 4.01Å; E173-H186 WeakPolarHBondContact CA-O 3.11Å; E173-R187 HydrophobicContact CG-CB 4.42Å; E173-R187 HydrophobicContact CG-CG 4.05Å; E173-R187 IonicContact OE1-CZ 2.65Å; E173-R187 IonicContact OE1-NE 3.68Å; E173-R187 PolarHBondContact OE1-NE 3.06Å; E173-R187 IonicContact OE1-NH2 3.58Å; E173-R187 PolarHBondContact OE1-NH2 3.16Å; E173-I220 WeakPolarHBondContact O-CA 3.47Å; E173-D221 PolarHBondContact N-O 3.1Å; E173-D221 PolarHBondContact O-N 2.85Å; E173-Y223 HydrophobicContact CB-CE2 4.49Å; E173-Y223 HydrophobicContact CG-CD2 4.29Å; E173-Y223 HydrophobicContact CG-CE2 4.36Å; E173-Y223 WeakPolarHBondContact OE2-CE2 3.43Å
174F98.3Very high92Very high3 Ų368.5 Ų68.51%0.01334%0.338CS..EExtended strand (participates in β ladder)trans-99.6131.2178.1-68.9-105000108.6L152 I154 L172 A185 H186 T188 F202 I204 L209 I220L152-F174 HydrophobicContact CD1-CE1 4.14Å; I154-F174 HydrophobicContact CD1-CE1 4.19Å; I154-F174 HydrophobicContact CD1-CE2 4.34Å; I154-F174 HydrophobicContact CD1-CZ 3.44Å; I154-F174 VanDerWaalsContact CD1-CZ 3.44Å; L172-F174 HydrophobicContact CB-CE2 3.95Å; L172-F174 HydrophobicContact CD1-CE2 4.36Å; L172-F174 HydrophobicContact CD1-CZ 4.44Å; F174-A185 PolarHBondContact O-N 3.42Å; F174-H186 HydrophobicContact CB-CB 4.17Å; F174-H186 HydrophobicContact CD2-CB 4.37Å; F174-H186 PolarHBondContact N-O 3.29Å; F174-H186 PolarHBondContact O-N 3.32Å; F174-T188 HydrophobicContact CE2-CG2 4.25Å; F174-F202 HydrophobicContact CD2-CZ 4.47Å; F174-F202 HydrophobicContact CE2-CE2 4.2Å; F174-F202 AromaticContact CE2-CZ 3.66Å; F174-F202 HydrophobicContact CE2-CZ 3.66Å; F174-F202 HydrophobicContact CZ-CE2 4.37Å; F174-F202 AromaticContact CZ-CZ 3.76Å; F174-F202 HydrophobicContact CZ-CZ 3.76Å; F174-I204 HydrophobicContact CB-CD1 4.1Å; F174-I204 HydrophobicContact CD1-CD1 4Å; F174-I204 HydrophobicContact CD2-CD1 4.28Å; F174-I204 HydrophobicContact CG-CD1 3.85Å; F174-L209 HydrophobicContact CB-CD1 4.03Å; F174-L209 HydrophobicContact CD1-CD1 4.25Å; F174-I220 HydrophobicContact CD1-CD1 3.81Å; F174-I220 HydrophobicContact CD1-CG1 3.68Å; F174-I220 HydrophobicContact CE1-CD1 3.32Å; F174-I220 HydrophobicContact CE1-CG1 3.67Å; F174-I220 HydrophobicContact CE1-CG2 4.41Å; F174-I220 HydrophobicContact CG-CG1 4.36Å; F174-I220 HydrophobicContact CZ-CD1 4.03Å; F174-I220 HydrophobicContact CZ-CG1 4.32Å; F174-I220 HydrophobicContact CZ-CG2 4.23Å
175Y97.6Very high92.9Very high35 Ų3560.5 Ų60.514%0.13731%0.307CS..EExtended strand (participates in β ladder)trans-124.5134.1180-63.8-100.4000110.9E173 W182 Q183 L184 K219 D221E173-Y175 HydrophobicContact CB-CD2 4.23Å; E173-Y175 HydrophobicContact CB-CE2 3.41Å; E173-Y175 VanDerWaalsContact CB-CE2 3.41Å; E173-Y175 PolarHBondContact OE2-OH 3.45Å; Y175-W182 HydrophobicContact CD1-CB 4.06Å; Y175-W182 HydrophobicContact CG-CB 4.35Å; Y175-Q183 CarbonylContact C-O 3.48Å; Y175-Q183 WeakPolarHBondContact CA-O 3.46Å; Y175-L184 HydrophobicContact CD1-CB 4.19Å; Y175-L184 HydrophobicContact CD1-CD1 4.43Å; Y175-L184 HydrophobicContact CE1-CB 3.95Å; Y175-L184 HydrophobicContact CE1-CD1 4Å; Y175-L184 HydrophobicContact CE2-CD1 4.13Å; Y175-K219 PolarHBondContact N-O 2.82Å; Y175-K219 PolarHBondContact O-N 3.43Å; Y175-D221 HydrophobicContact CE2-CB 4.11Å; Y175-D221 WeakPolarHBondContact CE2-OD2 3.26Å
176K94.9Very high94Very high35 Ų3552.5 Ų52.515%0.15227%0.273CS..EExtended strand (participates in β ladder)trans-84.6147.3167.472.9164179.2177.50111.1T178 W182 Q183 S208 L209 D211K176-T178 HydrophobicContact CD-CG2 4.43Å; K176-T178 HydrophobicContact CG-CG2 4.21Å; K176-W182 WeakPolarHBondContact O-CA 3.39Å; K176-Q183 HydrophobicContact CG-CB 3.95Å; K176-Q183 PolarHBondContact N-O 2.91Å; K176-Q183 PolarHBondContact O-N 3.2Å; K176-S208 WeakPolarHBondContact CD-O 3.2Å; K176-L209 WeakPolarHBondContact CA-O 3.23Å; K176-L209 WeakPolarHBondContact CB-O 3.34Å; K176-D211 IonicContact NZ-OD1 2.8Å; K176-D211 PolarHBondContact NZ-OD1 2.63Å
177Q93.9Very high94.8Very high93 Ų9357.4 Ų57.444%0.43528%0.283SS..EExtended strand (participates in β ladder)trans-79.2129.6172.3-170.3174.910.400110.2W182 S217Q177-W182 HydrophobicContact CB-CE3 4.18Å; Q177-W182 HydrophobicContact CB-CH2 4Å; Q177-W182 HydrophobicContact CB-CZ3 3.65Å; Q177-W182 HydrophobicContact CG-CH2 4.28Å; Q177-W182 HydrophobicContact CG-CZ3 4.34Å; Q177-S217 WeakPolarHBondContact CB-O 3.37Å
178T90.6Very high95.1Very high39 Ų3953 Ų5324%0.23927%0.265CS..EExtended strand (participates in β ladder)trans-121.4171.1173.270.50000110K176 T180 G181 Q183K176-T178 HydrophobicContact CD-CG2 4.43Å; K176-T178 HydrophobicContact CG-CG2 4.21Å; T178-T180 PolarHBondContact O-N 2.97Å; T178-T180 PolarHBondContact OG1-N 3.21Å; T178-T180 PolarHBondContact OG1-OG1 3.04Å; T178-G181 PolarHBondContact N-O 3.24Å; T178-G181 PolarHBondContact O-N 3.17Å; T178-G181 PolarHBondContact OG1-N 2.81Å; T178-G181 VanDerWaalsContact OG1-N 3.17Å; T178-G181 PolarHBondContact OG1-O 3.01Å; T178-Q183 HydrophobicContact CG2-CB 3.84Å
179E88.8Confident95.3Very high206 Ų20656.1 Ų56.196%0.96328%0.279SS*.THydrogen-bonded Turntrans-59.2-32.2175-62.8-177.5175.800112.6
180T90.3Very high95.4Very high142 Ų14257.3 Ų57.387%0.87129%0.287SS*.THydrogen-bonded Turntrans-97.6-4.8-175.556.60000113.8T178T178-T180 PolarHBondContact O-N 2.97Å; T178-T180 PolarHBondContact OG1-N 3.21Å; T178-T180 PolarHBondContact OG1-OG1 3.04Å
181G92.8Very high95.4Very high29 Ų2958.5 Ų58.530%0.29930%0.295SS..EExtended strand (participates in β ladder)trans145.7-130.4177.400000114.1T178T178-G181 PolarHBondContact N-O 3.24Å; T178-G181 PolarHBondContact O-N 3.17Å; T178-G181 PolarHBondContact OG1-N 2.81Å; T178-G181 VanDerWaalsContact OG1-N 3.17Å; T178-G181 PolarHBondContact OG1-O 3.01Å
182W95.8Very high95.2Very high96 Ų9666 Ų6636%0.36433%0.327SS..EExtended strand (participates in β ladder)trans-117.5129.8-177.3-66.6102.4000110.1Y175 K176 Q177 K219 L238Y175-W182 HydrophobicContact CD1-CB 4.06Å; Y175-W182 HydrophobicContact CG-CB 4.35Å; K176-W182 WeakPolarHBondContact O-CA 3.39Å; Q177-W182 HydrophobicContact CB-CE3 4.18Å; Q177-W182 HydrophobicContact CB-CH2 4Å; Q177-W182 HydrophobicContact CB-CZ3 3.65Å; Q177-W182 HydrophobicContact CG-CH2 4.28Å; Q177-W182 HydrophobicContact CG-CZ3 4.34Å; W182-K219 HydrophobicContact CD2-CB 3.92Å; W182-K219 HydrophobicContact CD2-CD 4.14Å; W182-K219 HydrophobicContact CE3-CB 3.63Å; W182-K219 HydrophobicContact CG-CD 4.26Å; W182-K219 HydrophobicContact CH2-CB 3.88Å; W182-K219 HydrophobicContact CZ2-CB 4.13Å; W182-K219 HydrophobicContact CZ3-CB 3.62Å; W182-L238 HydrophobicContact CH2-CD2 3.66Å; W182-L238 HydrophobicContact CZ2-CD2 3.63Å
183Q94.7Very high94.8Very high104 Ų10469.7 Ų69.749%0.48635%0.352SS..EExtended strand (participates in β ladder)trans-115.3132.5177.2-178.7180-400110Y175 K176 T178 A185Y175-Q183 CarbonylContact C-O 3.48Å; Y175-Q183 WeakPolarHBondContact CA-O 3.46Å; K176-Q183 HydrophobicContact CG-CB 3.95Å; K176-Q183 PolarHBondContact N-O 2.91Å; K176-Q183 PolarHBondContact O-N 3.2Å; T178-Q183 HydrophobicContact CG2-CB 3.84Å; Q183-A185 PolarHBondContact O-N 3.04Å
184L95.6Very high94.5Very high77 Ų7771.5 Ų71.540%0.40336%0.362SS..EExtended strand (participates in β ladder)trans-64.1123.9178.8-176.171000109.9E173 Y175E173-L184 HydrophobicContact CB-CD1 3.7Å; E173-L184 HydrophobicContact CG-CD1 4.01Å; Y175-L184 HydrophobicContact CD1-CB 4.19Å; Y175-L184 HydrophobicContact CD1-CD1 4.43Å; Y175-L184 HydrophobicContact CE1-CB 3.95Å; Y175-L184 HydrophobicContact CE1-CD1 4Å; Y175-L184 HydrophobicContact CE2-CD1 4.13Å
185A93.6Very high94.4Very high27 Ų2773 Ų7322%0.22337%0.37CS..EExtended strand (participates in β ladder)trans-102-36.5177.600000112F174 Q183 S208 L209F174-A185 PolarHBondContact O-N 3.42Å; Q183-A185 PolarHBondContact O-N 3.04Å; A185-S208 WeakPolarHBondContact CB-O 3.16Å; A185-L209 HydrophobicContact CB-CD1 4.17Å
186H96.8Very high94.4Very high47 Ų4775.1 Ų75.122%0.21838%0.384CS..EExtended strand (participates in β ladder)trans-158.7151.7-178.3-173.376.8000112E173 F174 F202 I204E173-H186 WeakPolarHBondContact CA-O 3.11Å; F174-H186 HydrophobicContact CB-CB 4.17Å; F174-H186 HydrophobicContact CD2-CB 4.37Å; F174-H186 PolarHBondContact N-O 3.29Å; F174-H186 PolarHBondContact O-N 3.32Å; H186-F202 AromaticContact CD2-CD2 3.58Å; H186-F202 AromaticContact CD2-CE2 3.56Å; H186-F202 AromaticContact CE1-CD2 3.93Å; H186-F202 AromaticContact NE2-CD2 3.32Å; H186-F202 VanDerWaalsContact NE2-CD2 3.32Å; H186-F202 WeakPolarHBondContact NE2-CD2 3.43Å; H186-F202 AromaticContact NE2-CE2 3.78Å; H186-F202 AromaticContact NE2-CG 3.51Å; H186-I204 HydrophobicContact CB-CD1 3.4Å; H186-I204 VanDerWaalsContact CB-CD1 3.4Å; H186-I204 HydrophobicContact CB-CG1 3.73Å; H186-I204 HydrophobicContact CB-CG2 4.37Å
187R97.5Very high94.5Very high130 Ų13073.4 Ų73.449%0.49138%0.376SS..EExtended strand (participates in β ladder)trans-132.7131.6172.1-176.5-174-72.4165.9-2.3109.6F171 L172 E173F171-R187 HydrophobicContact CD2-CG 3.8Å; F171-R187 HydrophobicContact CE2-CG 4.17Å; L172-R187 WeakPolarHBondContact O-CA 2.93Å; E173-R187 HydrophobicContact CG-CB 4.42Å; E173-R187 HydrophobicContact CG-CG 4.05Å; E173-R187 IonicContact OE1-CZ 2.65Å; E173-R187 IonicContact OE1-NE 3.68Å; E173-R187 PolarHBondContact OE1-NE 3.06Å; E173-R187 IonicContact OE1-NH2 3.58Å; E173-R187 PolarHBondContact OE1-NH2 3.16Å
188T97.9Very high94.6Very high10 Ų1074.3 Ų74.36%0.06138%0.383CS..PPolyproline II helixtrans-77.5171.3176.967.30000111.9L172 F174 W199 F202L172-T188 HydrophobicContact CB-CG2 3.9Å; L172-T188 PolarHBondContact N-OG1 2.81Å; L172-T188 PolarHBondContact O-N 3.42Å; F174-T188 HydrophobicContact CE2-CG2 4.25Å; T188-W199 HydrophobicContact CG2-CG 4.42Å; T188-W199 PolarHBondContact OG1-NE1 3.02Å; T188-F202 HydrophobicContact CG2-CD1 4.22Å; T188-F202 HydrophobicContact CG2-CE1 3.66Å; T188-F202 HydrophobicContact CG2-CZ 4.07Å
189E96.6Very high95Very high65 Ų6572.7 Ų72.730%0.30437%0.373SS..PPolyproline II helixtrans-66.4160.216681.2-74.6-172.400112.3W199 K200E189-W199 VanDerWaalsContact O-CD1 3.25Å; E189-W199 PolarHBondContact O-NE1 3.37Å; E189-W199 VanDerWaalsContact OE1-CA 3.3Å; E189-W199 WeakPolarHBondContact OE1-CA 3.44Å; E189-K200 WeakPolarHBondContact OE1-CG 3.24Å; E189-K200 PolarHBondContact OE1-N 2.94Å
190V97Very high95.3Very high52 Ų5270 Ų7032%0.31536%0.358SS..PPolyproline II helixtrans-84.2125.2172.9178.20000109.5D169 F171 Y225D169-V190 HydrophobicContact CB-CG1 3.85Å; F171-V190 HydrophobicContact CB-CG2 4.15Å; F171-V190 HydrophobicContact CD1-CG2 4.12Å; F171-V190 HydrophobicContact CG-CG2 4.32Å; V190-Y225 HydrophobicContact CG1-CD1 4.38Å; V190-Y225 HydrophobicContact CG1-CG 3.99Å; V190-Y225 HydrophobicContact CG2-CD2 3.75Å; V190-Y225 HydrophobicContact CG2-CG 3.88Å
191V95.9Very high95.6Very high25 Ų2567.7 Ų67.715%0.15235%0.345CS..  trans-101.8109174.9-1790000109D169 P170 N194 P197 W199D169-V191 CarbonylContact C-O 3.53Å; D169-V191 WeakPolarHBondContact CA-O 3.44Å; P170-V191 WeakPolarHBondContact CD-O 3.5Å; P170-V191 PolarHBondContact O-N 3.21Å; P170-V191 VanDerWaalsContact O-N 3.08Å; V191-N194 HydrophobicContact CG1-CB 3.85Å; V191-P197 HydrophobicContact CB-CB 3.89Å; V191-P197 HydrophobicContact CG1-CB 3.92Å; V191-P197 HydrophobicContact CG2-CB 4.07Å; V191-W199 HydrophobicContact CG2-CG 4.32Å
192K93.8Very high95.7Very high162 Ų16267.6 Ų67.670%0.70434%0.336SS*.THydrogen-bonded Turntrans-70.5141.1-173.3-63-172.3177.5-173.60113.9D169 N194D169-K192 WeakPolarHBondContact OD1-CA 3.42Å; K192-N194 PolarHBondContact O-N 2.9Å
193C90.4Very high95.6Very high77 Ų7768.2 Ų68.252%0.5234%0.339SS..THydrogen-bonded Turntrans52.446.3168.5-680000113.5K167 S168 D169K167-C193 WeakPolarHBondContact CD-O 3.5Å; S168-C193 CarbonylContact O-C 3.56Å; S168-C193 WeakPolarHBondContact O-CA 3.44Å; S168-C193 PolarHBondContact O-N 3.35Å; D169-C193 PolarHBondContact OD1-N 3.17Å
194N92.4Very high95.5Very high48 Ų4863.3 Ų63.326%0.25732%0.316SS..  trans-140.4122.6-171.5-160.4-14.6000113S168 P170 V191 K192 N196S168-N194 PolarHBondContact O-N 3.28Å; P170-N194 WeakPolarHBondContact CD-O 3.38Å; P170-N194 WeakPolarHBondContact CG-O 3.48Å; V191-N194 HydrophobicContact CG1-CB 3.85Å; K192-N194 PolarHBondContact O-N 2.9Å; N194-N196 WeakPolarHBondContact OD1-CA 3.12Å; N194-N196 PolarHBondContact OD1-N 2.98Å; N194-N196 PolarHBondContact OD1-O 3.18Å
195L94.8Very high95.3Very high33 Ų3362.3 Ų62.317%0.17331%0.314CS..SBendtrans-94.5-3.1173.7-54.4-178.3000113R157 S158 L159 K161 K167R157-L195 CarbonylContact C-O 3.35Å; S158-L195 PolarHBondContact N-O 2.92Å; S158-L195 VanDerWaalsContact N-O 3.15Å; L159-L195 HydrophobicContact CB-CB 4.42Å; L159-L195 HydrophobicContact CB-CD2 4.5Å; L159-L195 PolarHBondContact N-O 3.47Å; L159-L195 WeakPolarHBondContact O-CD2 3.39Å; K161-L195 HydrophobicContact CB-CD1 4.28Å; K161-L195 HydrophobicContact CB-CD2 4.34Å; K167-L195 HydrophobicContact CB-CD2 4.02Å; K167-L195 HydrophobicContact CB-CG 4.01Å; K167-L195 HydrophobicContact CD-CG 4.17Å; K167-L195 HydrophobicContact CG-CD1 4.28Å; K167-L195 HydrophobicContact CG-CG 4.02Å
196N97.6Very high95.2Very high80 Ų8061 Ų6143%0.42830%0.303SS..SBendtrans-132.255.9176.1-44.9-82.1000110A156 R157 S158 N194A156-N196 CarbonylContact O-C 3.6Å; A156-N196 WeakPolarHBondContact O-CA 3.5Å; R157-N196 VanDerWaalsContact CA-OD1 3.25Å; R157-N196 WeakPolarHBondContact CA-OD1 3.2Å; S158-N196 PolarHBondContact N-OD1 3.17Å; N194-N196 WeakPolarHBondContact OD1-CA 3.12Å; N194-N196 PolarHBondContact OD1-N 2.98Å; N194-N196 PolarHBondContact OD1-O 3.18Å
197P97.3Very high94.8Very high0 Ų063.3 Ų63.30%031%0.314CS..  trans-62.8149.7-176.930.7-40.5000111.8A155 A156 L159 P170 V191 W199A155-P197 CarbonylContact C-O 3.55Å; A155-P197 WeakPolarHBondContact CA-O 3.29Å; A156-P197 HydrophobicContact CB-CG 3.86Å; A156-P197 PolarHBondContact N-O 2.87Å; L159-P197 HydrophobicContact CD1-CG 3.76Å; P170-P197 HydrophobicContact CB-CG 4.32Å; P170-P197 HydrophobicContact CG-CB 3.9Å; P170-P197 HydrophobicContact CG-CG 3.57Å; V191-P197 HydrophobicContact CB-CB 3.89Å; V191-P197 HydrophobicContact CG1-CB 3.92Å; V191-P197 HydrophobicContact CG2-CB 4.07Å; P197-W199 HydrophobicContact CB-CD2 4.35Å; P197-W199 HydrophobicContact CB-CH2 4.21Å; P197-W199 HydrophobicContact CB-CZ2 3.95Å; P197-W199 HydrophobicContact CB-CZ3 4.49Å; P197-W199 HydrophobicContact CG-CD2 4.49Å; P197-W199 HydrophobicContact CG-CE3 4.39Å; P197-W199 HydrophobicContact CG-CH2 3.35Å; P197-W199 HydrophobicContact CG-CZ2 3.43Å; P197-W199 VanDerWaalsContact CG-CZ2 3.43Å; P197-W199 HydrophobicContact CG-CZ3 3.86Å
198I97.5Very high94.4Very high112 Ų11259.7 Ų59.757%0.57431%0.308SS*.BIsolated β-bridgetrans-119.4114.5161.2-58.4174.6000104.6A155A155-I198 HydrophobicContact CB-CG1 4Å
199W97.8Very high94.2Very high5 Ų559.3 Ų59.32%0.01931%0.306CS..PPolyproline II helixtrans-81.3153.6176.5-64.3-84.7000110I154 A156 P170 L172 T188 E189 V191 P197 I275I154-W199 HydrophobicContact CB-CE3 4.2Å; I154-W199 HydrophobicContact CG2-CE3 3.9Å; I154-W199 HydrophobicContact CG2-CZ3 3.95Å; I154-W199 PolarHBondContact O-N 3.23Å; I154-W199 VanDerWaalsContact O-N 3.1Å; A156-W199 HydrophobicContact CB-CH2 3.71Å; A156-W199 HydrophobicContact CB-CZ3 3.8Å; P170-W199 HydrophobicContact CB-CZ2 4.11Å; P170-W199 HydrophobicContact CG-CZ2 4.41Å; P170-W199 PolarHBondContact O-NE1 3.13Å; L172-W199 HydrophobicContact CD1-CD2 4.26Å; L172-W199 HydrophobicContact CD1-CE3 3.89Å; L172-W199 HydrophobicContact CD1-CH2 3.84Å; L172-W199 HydrophobicContact CD1-CZ2 4.22Å; L172-W199 HydrophobicContact CD1-CZ3 3.67Å; L172-W199 HydrophobicContact CD2-CH2 3.8Å; L172-W199 HydrophobicContact CD2-CZ2 4.03Å; L172-W199 HydrophobicContact CD2-CZ3 4.45Å; L172-W199 HydrophobicContact CG-CD2 4.39Å; L172-W199 HydrophobicContact CG-CE3 4.39Å; L172-W199 HydrophobicContact CG-CH2 3.71Å; L172-W199 HydrophobicContact CG-CZ2 3.71Å; L172-W199 HydrophobicContact CG-CZ3 4.08Å; T188-W199 HydrophobicContact CG2-CG 4.42Å; T188-W199 PolarHBondContact OG1-NE1 3.02Å; E189-W199 VanDerWaalsContact O-CD1 3.25Å; E189-W199 PolarHBondContact O-NE1 3.37Å; E189-W199 VanDerWaalsContact OE1-CA 3.3Å; E189-W199 WeakPolarHBondContact OE1-CA 3.44Å; V191-W199 HydrophobicContact CG2-CG 4.32Å; P197-W199 HydrophobicContact CB-CD2 4.35Å; P197-W199 HydrophobicContact CB-CH2 4.21Å; P197-W199 HydrophobicContact CB-CZ2 3.95Å; P197-W199 HydrophobicContact CB-CZ3 4.49Å; P197-W199 HydrophobicContact CG-CD2 4.49Å; P197-W199 HydrophobicContact CG-CE3 4.39Å; P197-W199 HydrophobicContact CG-CH2 3.35Å; P197-W199 HydrophobicContact CG-CZ2 3.43Å; P197-W199 VanDerWaalsContact CG-CZ2 3.43Å; P197-W199 HydrophobicContact CG-CZ3 3.86Å; W199-I275 HydrophobicContact CH2-CD1 4.18Å; W199-I275 HydrophobicContact CZ3-CD1 4.49Å
200K96.3Very high94Very high149 Ų14956.3 Ų56.365%0.64829%0.292SS*.PPolyproline II helixtrans-58.7143.3173.7-71176.9-176.9177.20109.4E189 F202E189-K200 WeakPolarHBondContact OE1-CG 3.24Å; E189-K200 PolarHBondContact OE1-N 2.94Å; K200-F202 WeakPolarHBondContact O-CD1 3.2Å; K200-F202 PolarHBondContact O-N 3.4Å
201P95.6Very high93.5Very high93 Ų9356 Ų5660%0.60429%0.289SS*.PPolyproline II helixtrans-57139.1172-23.233.2000111.1L152 E153L152-P201 WeakPolarHBondContact O-CA 3.41Å; E153-P201 HydrophobicContact CG-CB 4.06Å; E153-P201 HydrophobicContact CG-CG 4.07Å
202F94.6Very high93.1Very high27 Ų2755.8 Ų55.812%0.11829%0.291CS..EExtended strand (participates in β ladder)trans-142.3171.1179.262.5-92.8000111L152 I154 F174 H186 T188 K200 I204L152-F202 HydrophobicContact CB-CD2 4.4Å; L152-F202 HydrophobicContact CB-CE1 4.36Å; L152-F202 HydrophobicContact CB-CE2 3.9Å; L152-F202 HydrophobicContact CB-CZ 3.88Å; L152-F202 HydrophobicContact CD1-CD2 4.5Å; L152-F202 HydrophobicContact CD1-CE2 3.58Å; L152-F202 HydrophobicContact CD1-CZ 3.93Å; L152-F202 HydrophobicContact CG-CE2 4.35Å; L152-F202 PolarHBondContact N-O 3.39Å; L152-F202 PolarHBondContact O-N 3.36Å; I154-F202 HydrophobicContact CD1-CE1 4.01Å; I154-F202 HydrophobicContact CD1-CZ 3.66Å; I154-F202 HydrophobicContact CG1-CE1 4.36Å; I154-F202 HydrophobicContact CG1-CZ 4.42Å; F174-F202 HydrophobicContact CD2-CZ 4.47Å; F174-F202 HydrophobicContact CE2-CE2 4.2Å; F174-F202 AromaticContact CE2-CZ 3.66Å; F174-F202 HydrophobicContact CE2-CZ 3.66Å; F174-F202 HydrophobicContact CZ-CE2 4.37Å; F174-F202 AromaticContact CZ-CZ 3.76Å; F174-F202 HydrophobicContact CZ-CZ 3.76Å; H186-F202 AromaticContact CD2-CD2 3.58Å; H186-F202 AromaticContact CD2-CE2 3.56Å; H186-F202 AromaticContact CE1-CD2 3.93Å; H186-F202 AromaticContact NE2-CD2 3.32Å; H186-F202 VanDerWaalsContact NE2-CD2 3.32Å; H186-F202 WeakPolarHBondContact NE2-CD2 3.43Å; H186-F202 AromaticContact NE2-CE2 3.78Å; H186-F202 AromaticContact NE2-CG 3.51Å; T188-F202 HydrophobicContact CG2-CD1 4.22Å; T188-F202 HydrophobicContact CG2-CE1 3.66Å; T188-F202 HydrophobicContact CG2-CZ 4.07Å; K200-F202 WeakPolarHBondContact O-CD1 3.2Å; K200-F202 PolarHBondContact O-N 3.4Å; F202-I204 HydrophobicContact CD2-CD1 4.29Å; F202-I204 HydrophobicContact CD2-CG1 3.89Å; F202-I204 HydrophobicContact CE2-CD1 3.71Å; F202-I204 HydrophobicContact CE2-CG1 3.82Å
203R93.4Very high92.9Very high110 Ų11051.4 Ų51.442%0.41528%0.276SS..EExtended strand (participates in β ladder)trans-128.9145.4176.7-62.8-179.1-177.4173.41.3110.2A149 V150 A151 E285A149-R203 HydrophobicContact CB-CB 4.34Å; V150-R203 VanDerWaalsContact O-CA 3.29Å; V150-R203 WeakPolarHBondContact O-CA 3.49Å; A151-R203 HydrophobicContact CB-CG 4.08Å; R203-E285 WeakPolarHBondContact CD-OE1 3.32Å; R203-E285 IonicContact NE-OE1 2.68Å; R203-E285 IonicContact NH1-OE1 3.15Å; R203-E285 PolarHBondContact NH1-OE1 2.83Å
204I92.8Very high93.1Very high1 Ų149.6 Ų49.61%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-128.1127.6173.1-48.2176000108.1A149 V150 L152 F174 H186 F202 I206 L209A149-I204 CarbonylContact C-O 3.59Å; A149-I204 WeakPolarHBondContact CA-O 3.45Å; V150-I204 PolarHBondContact N-O 3.08Å; V150-I204 PolarHBondContact O-N 3.25Å; V150-I204 VanDerWaalsContact O-N 3.11Å; L152-I204 HydrophobicContact CD1-CD1 4.16Å; F174-I204 HydrophobicContact CB-CD1 4.1Å; F174-I204 HydrophobicContact CD1-CD1 4Å; F174-I204 HydrophobicContact CD2-CD1 4.28Å; F174-I204 HydrophobicContact CG-CD1 3.85Å; H186-I204 HydrophobicContact CB-CD1 3.4Å; H186-I204 VanDerWaalsContact CB-CD1 3.4Å; H186-I204 HydrophobicContact CB-CG1 3.73Å; H186-I204 HydrophobicContact CB-CG2 4.37Å; F202-I204 HydrophobicContact CD2-CD1 4.29Å; F202-I204 HydrophobicContact CD2-CG1 3.89Å; F202-I204 HydrophobicContact CE2-CD1 3.71Å; F202-I204 HydrophobicContact CE2-CG1 3.82Å; I204-I206 PolarHBondContact O-N 3.06Å; I204-L209 HydrophobicContact CB-CB 4.49Å; I204-L209 HydrophobicContact CB-CD2 4.39Å; I204-L209 HydrophobicContact CD1-CD1 4.08Å; I204-L209 HydrophobicContact CD1-CD2 4.25Å; I204-L209 HydrophobicContact CG2-CB 3.86Å; I204-L209 HydrophobicContact CG2-CD1 4.44Å
205P91.4Very high93.2Very high56 Ų5652.9 Ų52.936%0.36428%0.276SS..EExtended strand (participates in β ladder)trans-55136.6171.9-24.533.9000111.1Q207 S208 L209P205-Q207 PolarHBondContact O-N 3.15Å; P205-S208 PolarHBondContact O-N 2.85Å; P205-L209 PolarHBondContact O-N 3.39Å
206I91.3Very high93.1Very high0 Ų054.9 Ų54.90%028%0.283CS..Hα-helixtrans-63.4-33.9-176.1-160168.9000111.4D146 R148 I204 S208 L209 C210 D211 G212 V214 L241 I282D146-I206 WeakPolarHBondContact OD2-CG2 3.32Å; R148-I206 HydrophobicContact CB-CB 4.39Å; R148-I206 HydrophobicContact CB-CG2 3.88Å; R148-I206 WeakPolarHBondContact O-CB 3.35Å; R148-I206 WeakPolarHBondContact O-CG2 3.32Å; R148-I206 PolarHBondContact O-N 2.59Å; I204-I206 PolarHBondContact O-N 3.06Å; I206-S208 VanDerWaalsContact C-N 3.33Å; I206-S208 PolarHBondContact O-N 3.23Å; I206-L209 PolarHBondContact O-N 2.89Å; I206-C210 VanDerWaalsContact CG1-SG 3.57Å; I206-C210 PolarHBondContact O-N 3.18Å; I206-C210 PolarHBondContact O-SG 2.85Å; I206-C210 VanDerWaalsContact O-SG 3.42Å; I206-D211 PolarHBondContact O-N 3.41Å; I206-G212 PolarHBondContact O-N 3.29Å; I206-V214 HydrophobicContact CD1-CG1 3.84Å; I206-L241 HydrophobicContact CD1-CD1 4.19Å; I206-L241 HydrophobicContact CG1-CD1 3.97Å; I206-I282 HydrophobicContact CD1-CD1 4.29Å
207Q88.6Confident93.1Very high95 Ų9552.7 Ų52.744%0.44427%0.274SS..Hα-helixtrans-63.6-39.6175.3-164.663.423.800111.6P205 D211P205-Q207 PolarHBondContact O-N 3.15Å; Q207-D211 VanDerWaalsContact O-CA 3.29Å; Q207-D211 WeakPolarHBondContact O-CA 3.16Å; Q207-D211 PolarHBondContact O-N 2.95Å; Q207-D211 VanDerWaalsContact O-N 3.1Å; Q207-D211 VanDerWaalsContact OE1-C 3.32Å
208S89.9Confident93.1Very high53 Ų5352.8 Ų52.837%0.37127%0.274SS..Hα-helixtrans-73.4-29.6178.6-55.40000112.7K176 A185 P205 I206K176-S208 WeakPolarHBondContact CD-O 3.2Å; A185-S208 WeakPolarHBondContact CB-O 3.16Å; P205-S208 PolarHBondContact O-N 2.85Å; I206-S208 VanDerWaalsContact C-N 3.33Å; I206-S208 PolarHBondContact O-N 3.23Å
209L93.3Very high93.1Very high2 Ų249 Ų491%0.0125%0.254CS..Hα-helixtrans-89.6-38.8-175.7-171.957.7000113.5V150 F174 K176 A185 I204 P205 I206 I218 L241V150-L209 HydrophobicContact CG2-CD2 4.25Å; F174-L209 HydrophobicContact CB-CD1 4.03Å; F174-L209 HydrophobicContact CD1-CD1 4.25Å; K176-L209 WeakPolarHBondContact CA-O 3.23Å; K176-L209 WeakPolarHBondContact CB-O 3.34Å; A185-L209 HydrophobicContact CB-CD1 4.17Å; I204-L209 HydrophobicContact CB-CB 4.49Å; I204-L209 HydrophobicContact CB-CD2 4.39Å; I204-L209 HydrophobicContact CD1-CD1 4.08Å; I204-L209 HydrophobicContact CD1-CD2 4.25Å; I204-L209 HydrophobicContact CG2-CB 3.86Å; I204-L209 HydrophobicContact CG2-CD1 4.44Å; P205-L209 PolarHBondContact O-N 3.39Å; I206-L209 PolarHBondContact O-N 2.89Å; L209-I218 HydrophobicContact CD1-CD1 4.21Å; L209-I218 HydrophobicContact CD1-CG1 4.35Å; L209-I218 HydrophobicContact CD1-CG2 3.79Å; L209-I218 HydrophobicContact CD2-CD1 3.97Å; L209-I218 HydrophobicContact CG-CD1 3.69Å; L209-I218 HydrophobicContact CG-CG1 4.19Å; L209-I218 HydrophobicContact CG-CG2 4.47Å; L209-L241 HydrophobicContact CD2-CD1 4.41Å; L209-L241 HydrophobicContact CD2-CD2 3.85Å; L209-L241 HydrophobicContact CD2-CG 4.38Å
210C92Very high93.1Very high2 Ų248.9 Ų48.91%0.01425%0.253CS..Hα-helixtrans-151.324-173.165.50000113.6I206 G212 D213 K216 I218 L241I206-C210 VanDerWaalsContact CG1-SG 3.57Å; I206-C210 PolarHBondContact O-N 3.18Å; I206-C210 PolarHBondContact O-SG 2.85Å; I206-C210 VanDerWaalsContact O-SG 3.42Å; C210-G212 PolarHBondContact O-N 3.4Å; C210-G212 VanDerWaalsContact O-N 3.11Å; C210-D213 VanDerWaalsContact CB-O 3.27Å; C210-D213 WeakPolarHBondContact CB-O 3.25Å; C210-D213 PolarHBondContact O-N 2.98Å; C210-D213 PolarHBondContact SG-O 2.97Å; C210-K216 HydrophobicContact CB-CB 4.24Å; C210-K216 WeakPolarHBondContact O-CD 3.43Å; C210-I218 HydrophobicContact CB-CD1 4.22Å; C210-I218 HydrophobicContact CB-CG1 4.28Å; C210-L241 VanDerWaalsContact SG-CD1 3.55Å
211D86.9Confident93.2Very high47 Ų4742 Ų4225%0.25122%0.224SC..THydrogen-bonded Turntrans49.934.7-178-47.6-48.9000113.7K176 I206 Q207 D213 K216K176-D211 IonicContact NZ-OD1 2.8Å; K176-D211 PolarHBondContact NZ-OD1 2.63Å; I206-D211 PolarHBondContact O-N 3.41Å; Q207-D211 VanDerWaalsContact O-CA 3.29Å; Q207-D211 WeakPolarHBondContact O-CA 3.16Å; Q207-D211 PolarHBondContact O-N 2.95Å; Q207-D211 VanDerWaalsContact O-N 3.1Å; Q207-D211 VanDerWaalsContact OE1-C 3.32Å; D211-D213 VanDerWaalsContact C-N 3.26Å; D211-D213 PolarHBondContact O-N 3.03Å; D211-K216 IonicContact OD2-NZ 3.77Å; D211-K216 PolarHBondContact OD2-NZ 2.83Å
212G86.8Confident93.3Very high19 Ų1937.7 Ų37.720%0.19620%0.196CC..THydrogen-bonded Turntrans82.2-9.1179.400000115.6R148 I206 C210R148-G212 PolarHBondContact NH2-O 3.36Å; I206-G212 PolarHBondContact O-N 3.29Å; C210-G212 PolarHBondContact O-N 3.4Å; C210-G212 VanDerWaalsContact O-N 3.11Å
213D90.6Very high93.5Very high71 Ų7138.5 Ų38.538%0.3820%0.198SC..  trans-98.1109.3-179.8-176.5-8.7000110.9C210 D211 E215 K216C210-D213 VanDerWaalsContact CB-O 3.27Å; C210-D213 WeakPolarHBondContact CB-O 3.25Å; C210-D213 PolarHBondContact O-N 2.98Å; C210-D213 PolarHBondContact SG-O 2.97Å; D211-D213 VanDerWaalsContact C-N 3.26Å; D211-D213 PolarHBondContact O-N 3.03Å; D213-E215 PolarHBondContact O-N 2.67Å; D213-E215 WeakPolarHBondContact OD1-CB 3.34Å; D213-E215 PolarHBondContact OD1-N 2.96Å; D213-K216 HydrophobicContact CB-CB 4.43Å; D213-K216 HydrophobicContact CB-CD 4.03Å; D213-K216 HydrophobicContact CB-CG 3.94Å; D213-K216 PolarHBondContact O-N 3.32Å
214V93.4Very high93.6Very high38 Ų3833.3 Ų33.323%0.2318%0.179CC..THydrogen-bonded Turntrans-68.2-14-177-64.70000114I206 S240 L241 C242 I282I206-V214 HydrophobicContact CD1-CG1 3.84Å; V214-S240 WeakPolarHBondContact O-CB 3.22Å; V214-L241 HydrophobicContact CB-CB 4.03Å; V214-L241 HydrophobicContact CG1-CB 4.27Å; V214-L241 HydrophobicContact CG1-CD1 4.2Å; V214-L241 PolarHBondContact O-N 2.96Å; V214-C242 HydrophobicContact CG2-CB 4.48Å; V214-C242 PolarHBondContact O-N 3.22Å; V214-I282 HydrophobicContact CG1-CD1 3.94Å
215E94.5Very high93.6Very high118 Ų11837 Ų3755%0.55119%0.193SC*.THydrogen-bonded Turntrans-89-20.5178.4-62-61.9159.700112.6D213 S240 C242D213-E215 PolarHBondContact O-N 2.67Å; D213-E215 WeakPolarHBondContact OD1-CB 3.34Å; D213-E215 PolarHBondContact OD1-N 2.96Å; E215-S240 WeakPolarHBondContact O-CB 3.41Å; E215-C242 VanDerWaalsContact OE1-CB 3.32Å; E215-C242 WeakPolarHBondContact OE1-CB 3.37Å; E215-C242 PolarHBondContact OE1-SG 3.03Å
216K94.4Very high93.5Very high75 Ų7536 Ų3633%0.32619%0.185SC..SBendtrans-59.7145.6178.9-84.9-176.5178.4175.10111.7C210 D211 D213 S240C210-K216 HydrophobicContact CB-CB 4.24Å; C210-K216 WeakPolarHBondContact O-CD 3.43Å; D211-K216 IonicContact OD2-NZ 3.77Å; D211-K216 PolarHBondContact OD2-NZ 2.83Å; D213-K216 HydrophobicContact CB-CB 4.43Å; D213-K216 HydrophobicContact CB-CD 4.03Å; D213-K216 HydrophobicContact CB-CG 3.94Å; D213-K216 PolarHBondContact O-N 3.32Å; K216-S240 WeakPolarHBondContact O-CB 3.49Å
217S96.1Very high93.1Very high33 Ų3343.2 Ų43.223%0.23122%0.223CC..  trans-72.9136.8-179.2-164.90000111.3Q177 T239Q177-S217 WeakPolarHBondContact CB-O 3.37Å; S217-T239 CarbonylContact C-O 3.57Å; S217-T239 WeakPolarHBondContact CA-O 3.43Å
218I97.3Very high92.9Very high2 Ų243.4 Ų43.41%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-119.4136.5175.6-61.5160.6000107L209 C210 I220 L238 T239 L241L209-I218 HydrophobicContact CD1-CD1 4.21Å; L209-I218 HydrophobicContact CD1-CG1 4.35Å; L209-I218 HydrophobicContact CD1-CG2 3.79Å; L209-I218 HydrophobicContact CD2-CD1 3.97Å; L209-I218 HydrophobicContact CG-CD1 3.69Å; L209-I218 HydrophobicContact CG-CG1 4.19Å; L209-I218 HydrophobicContact CG-CG2 4.47Å; C210-I218 HydrophobicContact CB-CD1 4.22Å; C210-I218 HydrophobicContact CB-CG1 4.28Å; I218-I220 HydrophobicContact CG2-CG1 4.29Å; I218-L238 WeakPolarHBondContact O-CA 3.35Å; I218-T239 PolarHBondContact N-O 3.2Å; I218-T239 PolarHBondContact O-N 3.26Å; I218-L241 HydrophobicContact CD1-CD2 4.06Å; I218-L241 HydrophobicContact CD1-CG 3.73Å
219K97.9Very high92.5Very high34 Ų3443.3 Ų43.315%0.14824%0.243CC..EExtended strand (participates in β ladder)trans-104.7133.7173.9-178.8-175.163.8130.30109.9Y175 W182 D221 L238Y175-K219 PolarHBondContact N-O 2.82Å; Y175-K219 PolarHBondContact O-N 3.43Å; W182-K219 HydrophobicContact CD2-CB 3.92Å; W182-K219 HydrophobicContact CD2-CD 4.14Å; W182-K219 HydrophobicContact CE3-CB 3.63Å; W182-K219 HydrophobicContact CG-CD 4.26Å; W182-K219 HydrophobicContact CH2-CB 3.88Å; W182-K219 HydrophobicContact CZ2-CB 4.13Å; W182-K219 HydrophobicContact CZ3-CB 3.62Å; K219-D221 WeakPolarHBondContact CD-OD1 3.24Å; K219-D221 WeakPolarHBondContact CG-OD1 3.5Å; K219-D221 IonicContact NZ-OD1 3.41Å; K219-D221 IonicContact NZ-OD2 2.78Å; K219-D221 PolarHBondContact NZ-OD2 2.96Å; K219-L238 HydrophobicContact CB-CD2 3.47Å; K219-L238 VanDerWaalsContact CB-CD2 3.47Å; K219-L238 HydrophobicContact CD-CD2 4.42Å; K219-L238 HydrophobicContact CG-CD2 3.76Å
220I98.3Very high92.3Very high1 Ų147.3 Ų47.31%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-121.1115.8175.8-58.1172000108.1L172 E173 F174 I218 S236 F237 T239L172-I220 HydrophobicContact CD2-CG2 4.44Å; E173-I220 WeakPolarHBondContact O-CA 3.47Å; F174-I220 HydrophobicContact CD1-CD1 3.81Å; F174-I220 HydrophobicContact CD1-CG1 3.68Å; F174-I220 HydrophobicContact CE1-CD1 3.32Å; F174-I220 HydrophobicContact CE1-CG1 3.67Å; F174-I220 HydrophobicContact CE1-CG2 4.41Å; F174-I220 HydrophobicContact CG-CG1 4.36Å; F174-I220 HydrophobicContact CZ-CD1 4.03Å; F174-I220 HydrophobicContact CZ-CG1 4.32Å; F174-I220 HydrophobicContact CZ-CG2 4.23Å; I218-I220 HydrophobicContact CG2-CG1 4.29Å; I220-S236 WeakPolarHBondContact O-CA 3.42Å; I220-S236 PolarHBondContact O-OG 3.37Å; I220-F237 HydrophobicContact CB-CD1 4.25Å; I220-F237 HydrophobicContact CB-CE1 3.63Å; I220-F237 HydrophobicContact CB-CE2 4.16Å; I220-F237 HydrophobicContact CB-CZ 3.6Å; I220-F237 HydrophobicContact CD1-CE1 4.4Å; I220-F237 HydrophobicContact CD1-CE2 3.72Å; I220-F237 HydrophobicContact CD1-CZ 3.49Å; I220-F237 VanDerWaalsContact CD1-CZ 3.49Å; I220-F237 HydrophobicContact CG1-CE2 4.32Å; I220-F237 HydrophobicContact CG1-CZ 4.06Å; I220-F237 HydrophobicContact CG2-CE1 3.72Å; I220-F237 HydrophobicContact CG2-CZ 3.87Å; I220-F237 PolarHBondContact N-O 3.36Å; I220-F237 PolarHBondContact O-N 3.4Å; I220-F237 VanDerWaalsContact O-N 3.15Å; I220-T239 HydrophobicContact CD1-CG2 4.26Å
221D98.3Very high92.3Very high6 Ų649.7 Ų49.73%0.03228%0.282CS..EExtended strand (participates in β ladder)trans-103.2138.7176.9-65.8-14.6000109.6L172 E173 Y175 K219 Y223 F233 S236L172-D221 CarbonylContact C-O 3.59Å; L172-D221 WeakPolarHBondContact CA-O 3.2Å; E173-D221 PolarHBondContact N-O 3.1Å; E173-D221 PolarHBondContact O-N 2.85Å; Y175-D221 HydrophobicContact CE2-CB 4.11Å; Y175-D221 WeakPolarHBondContact CE2-OD2 3.26Å; K219-D221 WeakPolarHBondContact CD-OD1 3.24Å; K219-D221 WeakPolarHBondContact CG-OD1 3.5Å; K219-D221 IonicContact NZ-OD1 3.41Å; K219-D221 IonicContact NZ-OD2 2.78Å; K219-D221 PolarHBondContact NZ-OD2 2.96Å; D221-Y223 HydrophobicContact CB-CD2 4.13Å; D221-Y223 HydrophobicContact CB-CE2 3.36Å; D221-Y223 PolarHBondContact OD2-OH 3.12Å; D221-F233 HydrophobicContact CB-CE2 4.16Å; D221-S236 WeakPolarHBondContact OD1-CB 3.35Å; D221-S236 PolarHBondContact OD1-OG 2.77Å
222C98.3Very high92.7Very high1 Ų150.9 Ų50.91%0.00729%0.288CS..EExtended strand (participates in β ladder)trans-111.3130.1173.4-174.30000109.5L172 I234 G235L172-C222 HydrophobicContact CD2-CB 3.64Å; C222-I234 HydrophobicContact CB-CB 4.26Å; C222-I234 WeakPolarHBondContact O-CA 3.23Å; C222-I234 WeakPolarHBondContact O-CB 3Å; C222-I234 PolarHBondContact O-N 2.97Å; C222-G235 PolarHBondContact N-O 2.98Å; C222-G235 PolarHBondContact O-N 3.17Å
223Y97.6Very high93.1Very high45 Ų4552.6 Ų52.618%0.17629%0.29CS..EExtended strand (participates in β ladder)trans-127.1156.3-178.3-69.7-86.7000110.9P170 F171 E173 D221 H231 D232 F233P170-Y223 CarbonylContact C-O 3.49Å; P170-Y223 WeakPolarHBondContact CA-O 3.46Å; F171-Y223 VanDerWaalsContact CE1-CB 3.4Å; F171-Y223 HydrophobicContact CE1-CG 4.43Å; F171-Y223 HydrophobicContact CE2-CD2 4.13Å; F171-Y223 HydrophobicContact CE2-CG 4.36Å; F171-Y223 HydrophobicContact CZ-CD2 4.18Å; F171-Y223 AromaticContact CZ-CG 3.96Å; F171-Y223 HydrophobicContact CZ-CG 3.96Å; F171-Y223 PolarHBondContact N-O 2.72Å; F171-Y223 PolarHBondContact O-N 3.11Å; E173-Y223 HydrophobicContact CB-CE2 4.49Å; E173-Y223 HydrophobicContact CG-CD2 4.29Å; E173-Y223 HydrophobicContact CG-CE2 4.36Å; E173-Y223 WeakPolarHBondContact OE2-CE2 3.43Å; D221-Y223 HydrophobicContact CB-CD2 4.13Å; D221-Y223 HydrophobicContact CB-CE2 3.36Å; D221-Y223 PolarHBondContact OD2-OH 3.12Å; Y223-H231 HydrophobicContact CD1-CB 4.2Å; Y223-H231 HydrophobicContact CG-CB 4.5Å; Y223-D232 WeakPolarHBondContact CA-O 3.42Å; Y223-F233 HydrophobicContact CD1-CB 4.1Å; Y223-F233 HydrophobicContact CD1-CD2 4.11Å; Y223-F233 HydrophobicContact CE1-CB 3.87Å; Y223-F233 AromaticContact CE1-CD2 3.59Å; Y223-F233 HydrophobicContact CE1-CD2 3.59Å; Y223-F233 HydrophobicContact CE1-CG 4.2Å; Y223-F233 HydrophobicContact CE2-CD2 4.41Å; Y223-F233 AromaticContact CZ-CD2 3.75Å
224D95.6Very high93.4Very high0 Ų049.2 Ų49.20%027%0.272CS..EExtended strand (participates in β ladder)trans-99126.6166.2-178.842.3000109.8K162 S168 D169 H231 D232 I234K162-D224 HydrophobicContact CB-CB 3.91Å; K162-D224 WeakPolarHBondContact CB-OD2 3.39Å; K162-D224 HydrophobicContact CG-CB 3.89Å; S168-D224 WeakPolarHBondContact CA-OD1 3.5Å; S168-D224 VanDerWaalsContact CB-OD1 3.22Å; S168-D224 WeakPolarHBondContact CB-OD1 3.4Å; D169-D224 PolarHBondContact N-OD1 2.91Å; D224-H231 CarbonylContact O-C 3.6Å; D224-H231 WeakPolarHBondContact O-CA 3.27Å; D224-H231 WeakPolarHBondContact O-CB 3.38Å; D224-D232 HydrophobicContact CB-CB 3.99Å; D224-D232 PolarHBondContact N-O 3.03Å; D224-D232 PolarHBondContact O-N 3.31Å; D224-I234 HydrophobicContact CB-CD1 4.1Å; D224-I234 HydrophobicContact CB-CG1 4.21Å
225Y94.1Very high93.6Very high78 Ų7847.4 Ų47.431%0.30626%0.261SS..  trans-74.3139.6-175.5178.7-93000112D169 F171 V190 N227 H231D169-Y225 WeakPolarHBondContact O-CB 3.5Å; D169-Y225 PolarHBondContact O-N 3.37Å; F171-Y225 HydrophobicContact CE1-CD2 4.47Å; V190-Y225 HydrophobicContact CG1-CD1 4.38Å; V190-Y225 HydrophobicContact CG1-CG 3.99Å; V190-Y225 HydrophobicContact CG2-CD2 3.75Å; V190-Y225 HydrophobicContact CG2-CG 3.88Å; Y225-N227 WeakPolarHBondContact CE1-OD1 3.45Å; Y225-H231 AromaticContact CD2-CE1 3.28Å; Y225-H231 WeakPolarHBondContact CD2-CE1 3.37Å; Y225-H231 AromaticContact CD2-ND1 3.8Å; Y225-H231 AromaticContact CD2-NE2 3.98Å; Y225-H231 AromaticContact CE2-CE1 3.43Å; Y225-H231 VanDerWaalsContact CE2-CE1 3.43Å; Y225-H231 WeakPolarHBondContact CE2-CE1 3.4Å
226N88.7Confident93.8Very high35 Ų3543 Ų4319%0.18724%0.244CC..  trans-135.3132.8179.1-83.5-32.4000108.7S228 G229 S230 H231 D232N226-S228 PolarHBondContact O-N 3.45Å; N226-S228 VanDerWaalsContact O-N 3.1Å; N226-G229 PolarHBondContact O-N 3.47Å; N226-S230 WeakPolarHBondContact CB-O 3.35Å; N226-S230 PolarHBondContact ND2-O 3.31Å; N226-H231 PolarHBondContact N-ND1 2.89Å; N226-H231 VanDerWaalsContact N-ND1 3.12Å; N226-H231 PolarHBondContact O-CE1 3.1Å; N226-H231 PolarHBondContact O-ND1 2.88Å; N226-D232 PolarHBondContact ND2-OD2 3.32Å
227N83.6Confident93.9Very high152 Ų15240.3 Ų40.381%0.81323%0.232SC*.THydrogen-bonded Turntrans-61.2-20.9-180-73.8-28.7000113.7Y225 G229Y225-N227 WeakPolarHBondContact CE1-OD1 3.45Å; N227-G229 PolarHBondContact O-N 3.25Å
228S84.1Confident94Very high99 Ų9943.4 Ų43.469%0.69225%0.245SC*.THydrogen-bonded Turntrans-72.2-10175.962.10000113.6N226 S230N226-S228 PolarHBondContact O-N 3.45Å; N226-S228 VanDerWaalsContact O-N 3.1Å; S228-S230 PolarHBondContact O-N 3.47Å; S228-S230 PolarHBondContact OG-N 2.69Å
229G81.8Confident94Very high52 Ų5243.4 Ų43.454%0.53625%0.245SC..SBendtrans80.2-9.3-170.500000114.2N226 N227 H231N226-G229 PolarHBondContact O-N 3.47Å; N227-G229 PolarHBondContact O-N 3.25Å; G229-H231 PolarHBondContact O-N 2.99Å
230S88.9Confident93.9Very high86 Ų8642 Ų4260%0.60124%0.24SC*.  trans-89.581.7174.9-167.50000110.1N226 S228N226-S230 WeakPolarHBondContact CB-O 3.35Å; N226-S230 PolarHBondContact ND2-O 3.31Å; S228-S230 PolarHBondContact O-N 3.47Å; S228-S230 PolarHBondContact OG-N 2.69Å
231H92.2Very high93.8Very high51 Ų5142 Ų4224%0.23624%0.24CC..PPolyproline II helixtrans-70.5139.8-176.9-56-39.7000112.4F171 Y223 D224 Y225 N226 G229F171-H231 HydrophobicContact CE1-CB 4.11Å; F171-H231 AromaticContact CE1-CG 3.86Å; F171-H231 HydrophobicContact CZ-CB 4.06Å; F171-H231 AromaticContact CZ-CD2 3.54Å; F171-H231 AromaticContact CZ-CG 3.79Å; Y223-H231 HydrophobicContact CD1-CB 4.2Å; Y223-H231 HydrophobicContact CG-CB 4.5Å; D224-H231 CarbonylContact O-C 3.6Å; D224-H231 WeakPolarHBondContact O-CA 3.27Å; D224-H231 WeakPolarHBondContact O-CB 3.38Å; Y225-H231 AromaticContact CD2-CE1 3.28Å; Y225-H231 WeakPolarHBondContact CD2-CE1 3.37Å; Y225-H231 AromaticContact CD2-ND1 3.8Å; Y225-H231 AromaticContact CD2-NE2 3.98Å; Y225-H231 AromaticContact CE2-CE1 3.43Å; Y225-H231 VanDerWaalsContact CE2-CE1 3.43Å; Y225-H231 WeakPolarHBondContact CE2-CE1 3.4Å; N226-H231 PolarHBondContact N-ND1 2.89Å; N226-H231 VanDerWaalsContact N-ND1 3.12Å; N226-H231 PolarHBondContact O-CE1 3.1Å; N226-H231 PolarHBondContact O-ND1 2.88Å; G229-H231 PolarHBondContact O-N 2.99Å
232D93.4Very high93.6Very high73 Ų7342.6 Ų42.639%0.3924%0.244SC..EExtended strand (participates in β ladder)trans-86.8117.6-176.4-87.8-53000111.3K162 Y223 D224 N226 I234K162-D232 HydrophobicContact CB-CB 4.31Å; K162-D232 HydrophobicContact CD-CB 4.45Å; K162-D232 HydrophobicContact CG-CB 4.28Å; Y223-D232 WeakPolarHBondContact CA-O 3.42Å; D224-D232 HydrophobicContact CB-CB 3.99Å; D224-D232 PolarHBondContact N-O 3.03Å; D224-D232 PolarHBondContact O-N 3.31Å; N226-D232 PolarHBondContact ND2-OD2 3.32Å; D232-I234 PolarHBondContact O-N 3.11Å
233F96.5Very high93.4Very high55 Ų5547.4 Ų47.424%0.24127%0.267CS..EExtended strand (participates in β ladder)trans-67.1120.4-178.8-179.4-113.2000112.2K162 D221 Y223 G235 N259K162-F233 VanDerWaalsContact CE-O 3.23Å; K162-F233 WeakPolarHBondContact CE-O 3.39Å; K162-F233 PolarHBondContact NZ-O 3.09Å; D221-F233 HydrophobicContact CB-CE2 4.16Å; Y223-F233 HydrophobicContact CD1-CB 4.1Å; Y223-F233 HydrophobicContact CD1-CD2 4.11Å; Y223-F233 HydrophobicContact CE1-CB 3.87Å; Y223-F233 AromaticContact CE1-CD2 3.59Å; Y223-F233 HydrophobicContact CE1-CD2 3.59Å; Y223-F233 HydrophobicContact CE1-CG 4.2Å; Y223-F233 HydrophobicContact CE2-CD2 4.41Å; Y223-F233 AromaticContact CZ-CD2 3.75Å; F233-G235 VanDerWaalsContact CE2-C 3.45Å; F233-G235 VanDerWaalsContact CE2-O 3.26Å; F233-G235 WeakPolarHBondContact CE2-O 3.22Å; F233-G235 VanDerWaalsContact CZ-CA 3.43Å; F233-N259 WeakPolarHBondContact CD1-ND2 3.25Å; F233-N259 PolarHBondContact O-ND2 3Å
234I96.9Very high93.2Very high0 Ų045.4 Ų45.40%026%0.259CS..EExtended strand (participates in β ladder)trans-84-56176-64.1175.7000109.5L159 D160 K162 P170 C222 D224 D232 N259 S272L159-I234 HydrophobicContact CD2-CG2 4.32Å; D160-I234 HydrophobicContact CB-CG2 4.35Å; K162-I234 HydrophobicContact CG-CG1 4.06Å; P170-I234 HydrophobicContact CB-CD1 4.29Å; C222-I234 HydrophobicContact CB-CB 4.26Å; C222-I234 WeakPolarHBondContact O-CA 3.23Å; C222-I234 WeakPolarHBondContact O-CB 3Å; C222-I234 PolarHBondContact O-N 2.97Å; D224-I234 HydrophobicContact CB-CD1 4.1Å; D224-I234 HydrophobicContact CB-CG1 4.21Å; D232-I234 PolarHBondContact O-N 3.11Å; I234-N259 WeakPolarHBondContact O-CB 3.18Å; I234-N259 PolarHBondContact O-ND2 3.32Å; I234-S272 WeakPolarHBondContact CG2-O 3.41Å; I234-S272 VanDerWaalsContact O-CB 3.23Å; I234-S272 WeakPolarHBondContact O-CB 3.29Å; I234-S272 PolarHBondContact O-OG 2.69Å
235G97.5Very high93Very high0 Ų048 Ų480%027%0.271CS..EExtended strand (participates in β ladder)trans176.3178.9178.200000112.8C222 F233 C257 I258C222-G235 PolarHBondContact N-O 2.98Å; C222-G235 PolarHBondContact O-N 3.17Å; F233-G235 VanDerWaalsContact CE2-C 3.45Å; F233-G235 VanDerWaalsContact CE2-O 3.26Å; F233-G235 WeakPolarHBondContact CE2-O 3.22Å; F233-G235 VanDerWaalsContact CZ-CA 3.43Å; G235-C257 WeakPolarHBondContact CA-SG 3.35Å; G235-C257 PolarHBondContact O-SG 3.4Å; G235-C257 VanDerWaalsContact O-SG 3.41Å; G235-I258 WeakPolarHBondContact CA-O 3.29Å
236S97.9Very high92.8Very high25 Ų2549.9 Ų49.918%0.17528%0.283CS..EExtended strand (participates in β ladder)trans-144.9158.9-176.9-179.80000111.4I220 D221 I258I220-S236 WeakPolarHBondContact O-CA 3.42Å; I220-S236 PolarHBondContact O-OG 3.37Å; D221-S236 WeakPolarHBondContact OD1-CB 3.35Å; D221-S236 PolarHBondContact OD1-OG 2.77Å; S236-I258 PolarHBondContact N-O 3.5Å; S236-I258 PolarHBondContact O-N 2.91Å
237F97.8Very high92.7Very high18 Ų1850.2 Ų50.28%0.07929%0.29CS..EExtended strand (participates in β ladder)trans-147.7160.2167.764.2-80.4000110.9I220 T239 F255 I275I220-F237 HydrophobicContact CB-CD1 4.25Å; I220-F237 HydrophobicContact CB-CE1 3.63Å; I220-F237 HydrophobicContact CB-CE2 4.16Å; I220-F237 HydrophobicContact CB-CZ 3.6Å; I220-F237 HydrophobicContact CD1-CE1 4.4Å; I220-F237 HydrophobicContact CD1-CE2 3.72Å; I220-F237 HydrophobicContact CD1-CZ 3.49Å; I220-F237 VanDerWaalsContact CD1-CZ 3.49Å; I220-F237 HydrophobicContact CG1-CE2 4.32Å; I220-F237 HydrophobicContact CG1-CZ 4.06Å; I220-F237 HydrophobicContact CG2-CE1 3.72Å; I220-F237 HydrophobicContact CG2-CZ 3.87Å; I220-F237 PolarHBondContact N-O 3.36Å; I220-F237 PolarHBondContact O-N 3.4Å; I220-F237 VanDerWaalsContact O-N 3.15Å; F237-T239 HydrophobicContact CD2-CG2 4.37Å; F237-T239 HydrophobicContact CE2-CG2 4.02Å; F237-F255 HydrophobicContact CB-CB 4.47Å; F237-F255 HydrophobicContact CD1-CB 4.05Å; F237-F255 HydrophobicContact CD2-CB 3.41Å; F237-F255 VanDerWaalsContact CD2-CB 3.41Å; F237-F255 AromaticContact CD2-CD1 3.62Å; F237-F255 HydrophobicContact CD2-CD1 3.62Å; F237-F255 HydrophobicContact CD2-CD2 4.2Å; F237-F255 HydrophobicContact CD2-CE1 4.43Å; F237-F255 AromaticContact CD2-CG 3.48Å; F237-F255 HydrophobicContact CD2-CG 3.48Å; F237-F255 VanDerWaalsContact CD2-CG 3.48Å; F237-F255 HydrophobicContact CE1-CB 4.1Å; F237-F255 HydrophobicContact CE2-CB 3.43Å; F237-F255 VanDerWaalsContact CE2-CB 3.43Å; F237-F255 AromaticContact CE2-CD1 3.78Å; F237-F255 HydrophobicContact CE2-CD1 3.78Å; F237-F255 AromaticContact CE2-CD2 3.52Å; F237-F255 HydrophobicContact CE2-CD2 3.52Å; F237-F255 HydrophobicContact CE2-CE1 4.41Å; F237-F255 HydrophobicContact CE2-CE2 4.19Å; F237-F255 AromaticContact CE2-CG 3.28Å; F237-F255 HydrophobicContact CE2-CG 3.28Å; F237-F255 HydrophobicContact CG-CB 3.72Å; F237-F255 HydrophobicContact CG-CG 4.29Å; F237-F255 HydrophobicContact CZ-CB 3.78Å; F237-F255 HydrophobicContact CZ-CD2 4.02Å; F237-F255 AromaticContact CZ-CG 3.99Å; F237-F255 HydrophobicContact CZ-CG 3.99Å; F237-I275 HydrophobicContact CD1-CG1 4.49Å; F237-I275 HydrophobicContact CE1-CB 3.81Å; F237-I275 HydrophobicContact CE1-CG1 3.74Å; F237-I275 HydrophobicContact CE1-CG2 4.08Å; F237-I275 HydrophobicContact CZ-CB 4.1Å; F237-I275 HydrophobicContact CZ-CG1 4.5Å; F237-I275 HydrophobicContact CZ-CG2 4.01Å
238L97.4Very high92.8Very high98 Ų9844.2 Ų44.251%0.51326%0.26SS..EExtended strand (participates in β ladder)trans-109.9144173.5-62.1179.4000109.3W182 I218 K219W182-L238 HydrophobicContact CH2-CD2 3.66Å; W182-L238 HydrophobicContact CZ2-CD2 3.63Å; I218-L238 WeakPolarHBondContact O-CA 3.35Å; K219-L238 HydrophobicContact CB-CD2 3.47Å; K219-L238 VanDerWaalsContact CB-CD2 3.47Å; K219-L238 HydrophobicContact CD-CD2 4.42Å; K219-L238 HydrophobicContact CG-CD2 3.76Å
239T96.8Very high92.6Very high2 Ų247.4 Ų47.41%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-154.3-179.7175.8-174.10000109.6S217 I218 I220 F237 Q243 I244 F255S217-T239 CarbonylContact C-O 3.57Å; S217-T239 WeakPolarHBondContact CA-O 3.43Å; I218-T239 PolarHBondContact N-O 3.2Å; I218-T239 PolarHBondContact O-N 3.26Å; I220-T239 HydrophobicContact CD1-CG2 4.26Å; F237-T239 HydrophobicContact CD2-CG2 4.37Å; F237-T239 HydrophobicContact CE2-CG2 4.02Å; T239-Q243 VanDerWaalsContact CA-OE1 3.28Å; T239-Q243 PolarHBondContact OG1-OE1 3.43Å; T239-I244 HydrophobicContact CG2-CD1 3.7Å; T239-I244 HydrophobicContact CG2-CG1 3.95Å; T239-F255 HydrophobicContact CG2-CZ 4.43Å; T239-F255 WeakPolarHBondContact OG1-CE1 3.16Å; T239-F255 VanDerWaalsContact OG1-CZ 3.29Å; T239-F255 WeakPolarHBondContact OG1-CZ 3.42Å
240S96.8Very high92.1Very high4 Ų450.4 Ų50.43%0.02828%0.277CS..  trans-124.5166.9161.370.30000110.7V214 E215 K216 C242 Q243 I244V214-S240 WeakPolarHBondContact O-CB 3.22Å; E215-S240 WeakPolarHBondContact O-CB 3.41Å; K216-S240 WeakPolarHBondContact O-CB 3.49Å; S240-C242 VanDerWaalsContact C-N 3.28Å; S240-C242 PolarHBondContact O-N 2.82Å; S240-Q243 PolarHBondContact O-N 3.29Å; S240-Q243 WeakPolarHBondContact OG-CG 3.37Å; S240-Q243 PolarHBondContact OG-N 2.84Å; S240-I244 VanDerWaalsContact O-CG1 3.29Å; S240-I244 WeakPolarHBondContact O-CG1 3.48Å; S240-I244 PolarHBondContact O-N 2.9Å; S240-I244 VanDerWaalsContact O-N 3.08Å
241L94.8Very high91.6Very high1 Ų156 Ų561%0.00529%0.286CS..Hα-helixtrans-62.3-40.1173.7-73.9178.3000111.2V150 I206 L209 C210 V214 I218 Q243 I244 Q245V150-L241 HydrophobicContact CB-CD2 4.37Å; V150-L241 HydrophobicContact CG1-CD2 3.8Å; V150-L241 HydrophobicContact CG2-CD1 3.53Å; V150-L241 HydrophobicContact CG2-CD2 3.85Å; V150-L241 HydrophobicContact CG2-CG 4.35Å; I206-L241 HydrophobicContact CD1-CD1 4.19Å; I206-L241 HydrophobicContact CG1-CD1 3.97Å; L209-L241 HydrophobicContact CD2-CD1 4.41Å; L209-L241 HydrophobicContact CD2-CD2 3.85Å; L209-L241 HydrophobicContact CD2-CG 4.38Å; C210-L241 VanDerWaalsContact SG-CD1 3.55Å; V214-L241 HydrophobicContact CB-CB 4.03Å; V214-L241 HydrophobicContact CG1-CB 4.27Å; V214-L241 HydrophobicContact CG1-CD1 4.2Å; V214-L241 PolarHBondContact O-N 2.96Å; I218-L241 HydrophobicContact CD1-CD2 4.06Å; I218-L241 HydrophobicContact CD1-CG 3.73Å; L241-Q243 VanDerWaalsContact C-N 3.33Å; L241-Q243 PolarHBondContact O-N 2.73Å; L241-I244 HydrophobicContact CD2-CD1 4.44Å; L241-I244 PolarHBondContact O-N 2.82Å; L241-Q245 WeakPolarHBondContact O-CB 3.46Å; L241-Q245 VanDerWaalsContact O-CG 3.31Å; L241-Q245 WeakPolarHBondContact O-CG 3.42Å; L241-Q245 PolarHBondContact O-N 3.31Å
242C94.1Very high91.4Very high19 Ų1954.4 Ų54.413%0.12828%0.282CS..Hα-helixtrans-56.3-48176-174.90000111.3V214 E215 S240 I244 Q245 Q246V214-C242 HydrophobicContact CG2-CB 4.48Å; V214-C242 PolarHBondContact O-N 3.22Å; E215-C242 VanDerWaalsContact OE1-CB 3.32Å; E215-C242 WeakPolarHBondContact OE1-CB 3.37Å; E215-C242 PolarHBondContact OE1-SG 3.03Å; S240-C242 VanDerWaalsContact C-N 3.28Å; S240-C242 PolarHBondContact O-N 2.82Å; C242-I244 PolarHBondContact O-N 2.87Å; C242-Q245 PolarHBondContact O-N 3.15Å; C242-Q246 WeakPolarHBondContact O-CB 3.35Å; C242-Q246 VanDerWaalsContact O-CG 3.25Å; C242-Q246 WeakPolarHBondContact O-CG 3.19Å; C242-Q246 PolarHBondContact O-N 3.46Å; C242-Q246 PolarHBondContact SG-NE2 2.93Å
243Q94.1Very high91.4Very high102 Ų10251 Ų5148%0.47726%0.263SS..Hα-helixtrans-61.3-44176.9-72.9173.6-16.100112.6T239 S240 L241 A247T239-Q243 VanDerWaalsContact CA-OE1 3.28Å; T239-Q243 PolarHBondContact OG1-OE1 3.43Å; S240-Q243 PolarHBondContact O-N 3.29Å; S240-Q243 WeakPolarHBondContact OG-CG 3.37Å; S240-Q243 PolarHBondContact OG-N 2.84Å; L241-Q243 VanDerWaalsContact C-N 3.33Å; L241-Q243 PolarHBondContact O-N 2.73Å; Q243-A247 WeakPolarHBondContact O-CB 3.32Å; Q243-A247 PolarHBondContact O-N 2.6Å
244I94.2Very high91.3Very high4 Ų452.8 Ų52.82%0.02127%0.273CS..Hα-helixtrans-62.6-47.4177.7-63.1164.8000110.2T239 S240 L241 C242 A247 C248 A253 F255 I277 C280T239-I244 HydrophobicContact CG2-CD1 3.7Å; T239-I244 HydrophobicContact CG2-CG1 3.95Å; S240-I244 VanDerWaalsContact O-CG1 3.29Å; S240-I244 WeakPolarHBondContact O-CG1 3.48Å; S240-I244 PolarHBondContact O-N 2.9Å; S240-I244 VanDerWaalsContact O-N 3.08Å; L241-I244 HydrophobicContact CD2-CD1 4.44Å; L241-I244 PolarHBondContact O-N 2.82Å; C242-I244 PolarHBondContact O-N 2.87Å; I244-A247 PolarHBondContact O-N 3.18Å; I244-C248 WeakPolarHBondContact O-CB 3.44Å; I244-C248 PolarHBondContact O-N 2.83Å; I244-C248 PolarHBondContact O-SG 2.75Å; I244-A253 HydrophobicContact CG2-CB 4.25Å; I244-F255 HydrophobicContact CG1-CE2 4.06Å; I244-F255 HydrophobicContact CG1-CZ 3.91Å; I244-I277 HydrophobicContact CD1-CD1 3.71Å; I244-I277 HydrophobicContact CG1-CD1 3.89Å; I244-I277 HydrophobicContact CG2-CB 4.2Å; I244-I277 HydrophobicContact CG2-CD1 3.83Å; I244-I277 HydrophobicContact CG2-CG2 3.77Å; I244-C280 HydrophobicContact CG2-CB 3.42Å; I244-C280 VanDerWaalsContact CG2-CB 3.42Å
245Q91.5Very high91.3Very high55 Ų5554.4 Ų54.426%0.25728%0.28SS..Hα-helixtrans-64-43.4-178-73.1-178.7-67.300111.7L241 C242 C248 Q249L241-Q245 WeakPolarHBondContact O-CB 3.46Å; L241-Q245 VanDerWaalsContact O-CG 3.31Å; L241-Q245 WeakPolarHBondContact O-CG 3.42Å; L241-Q245 PolarHBondContact O-N 3.31Å; C242-Q245 PolarHBondContact O-N 3.15Å; Q245-C248 PolarHBondContact O-N 3.42Å; Q245-Q249 PolarHBondContact O-N 2.58Å
246Q89.6Confident91.3Very high117 Ų11759.4 Ų59.455%0.54730%0.303SS..Hα-helixtrans-59.1-47.7175.3-74174.9500111.4C242 C248 Q249C242-Q246 WeakPolarHBondContact O-CB 3.35Å; C242-Q246 VanDerWaalsContact O-CG 3.25Å; C242-Q246 WeakPolarHBondContact O-CG 3.19Å; C242-Q246 PolarHBondContact O-N 3.46Å; C242-Q246 PolarHBondContact SG-NE2 2.93Å; Q246-C248 VanDerWaalsContact C-N 3.34Å; Q246-C248 PolarHBondContact O-N 3.26Å; Q246-Q249 WeakPolarHBondContact O-CB 3.39Å; Q246-Q249 PolarHBondContact O-N 2.69Å
247A87.1Confident91.2Very high41 Ų4158.2 Ų58.234%0.33930%0.295SS..Hα-helixtrans-67.1-3417900000112.8Q243 I244 Q249 S250 A253Q243-A247 WeakPolarHBondContact O-CB 3.32Å; Q243-A247 PolarHBondContact O-N 2.6Å; I244-A247 PolarHBondContact O-N 3.18Å; A247-Q249 VanDerWaalsContact C-N 3.25Å; A247-Q249 PolarHBondContact O-N 2.95Å; A247-S250 PolarHBondContact O-N 3.44Å; A247-A253 HydrophobicContact CB-CB 3.54Å
248C85.8Confident91.2Very high26 Ų2659.4 Ų59.418%0.17630%0.302CS..Hα-helixtrans-69.3-16.4176.1-69.70000113.9I244 Q245 Q246 S250I244-C248 WeakPolarHBondContact O-CB 3.44Å; I244-C248 PolarHBondContact O-N 2.83Å; I244-C248 PolarHBondContact O-SG 2.75Å; Q245-C248 PolarHBondContact O-N 3.42Å; Q246-C248 VanDerWaalsContact C-N 3.34Å; Q246-C248 PolarHBondContact O-N 3.26Å; C248-S250 PolarHBondContact O-N 3.22Å
249Q79.4Confident91.1Very high166 Ų16655.3 Ų55.378%0.77628%0.28SS*.THydrogen-bonded Turntrans-64.8-27176.7-70.7177.14.200112.8Q245 Q246 A247Q245-Q249 PolarHBondContact O-N 2.58Å; Q246-Q249 WeakPolarHBondContact O-CB 3.39Å; Q246-Q249 PolarHBondContact O-N 2.69Å; A247-Q249 VanDerWaalsContact C-N 3.25Å; A247-Q249 PolarHBondContact O-N 2.95Å
250S72.3Confident91Very high116 Ų11658.6 Ų58.681%0.81130%0.303SS*.THydrogen-bonded Turntrans-91.1-42.2-177.3-59.30000113.3A247 C248A247-S250 PolarHBondContact O-N 3.44Å; C248-S250 PolarHBondContact O-N 3.22Å
251Y77.9Confident90.8Very high202 Ų20265.5 Ų65.579%0.79233%0.333SS*.SBendtrans-167.6-63.1176.6-178.3-111.1000112
252A88Confident90.7Very high18 Ų1868.1 Ų68.115%0.14934%0.344CS..  trans-158.6149.8178.600000109.2I276A252-I276 HydrophobicContact CB-CG2 3.83Å
253A93Very high90.5Very high1 Ų173.5 Ų73.51%0.00837%0.365CS..EExtended strand (participates in β ladder)trans-86.7124.6172.600000109.9I244 A247 F255 I276 I277I244-A253 HydrophobicContact CG2-CB 4.25Å; A247-A253 HydrophobicContact CB-CB 3.54Å; A253-F255 HydrophobicContact CB-CD2 4.47Å; A253-F255 HydrophobicContact CB-CE2 3.59Å; A253-F255 HydrophobicContact CB-CZ 4.11Å; A253-I276 CarbonylContact O-C 3.58Å; A253-I276 WeakPolarHBondContact O-CA 3.4Å; A253-I277 HydrophobicContact CB-CB 4.27Å; A253-I277 PolarHBondContact N-O 3.24Å; A253-I277 PolarHBondContact O-N 2.86Å
254E95.6Very high90.4Very high94 Ų9476.5 Ų76.544%0.43938%0.38SS..EExtended strand (participates in β ladder)trans-115.3128.5-179.5-61.7-168.9163.900111R157 I274 I275 I276R157-E254 IonicContact CZ-OE1 3.93Å; R157-E254 IonicContact CZ-OE2 3.73Å; R157-E254 IonicContact NH1-OE1 3.32Å; R157-E254 PolarHBondContact NH1-OE1 3Å; R157-E254 IonicContact NH1-OE2 3.2Å; R157-E254 IonicContact NH2-OE1 2.88Å; R157-E254 PolarHBondContact NH2-OE1 3.46Å; R157-E254 VanDerWaalsContact NH2-OE1 3.15Å; R157-E254 IonicContact NH2-OE2 2.9Å; R157-E254 PolarHBondContact NH2-OE2 3.11Å; E254-I274 HydrophobicContact CB-CG2 4.03Å; E254-I275 WeakPolarHBondContact CA-O 3.43Å; E254-I276 HydrophobicContact CG-CG1 4.34Å; E254-I276 HydrophobicContact CG-CG2 4.34Å
255F96.8Very high90.3Very high33 Ų3385 Ų8515%0.14542%0.416CS..EExtended strand (participates in β ladder)trans-125.9130.2-178.8-60.4-86.2000110.5F237 T239 I244 A253 C257 I274 I275 I277F237-F255 HydrophobicContact CB-CB 4.47Å; F237-F255 HydrophobicContact CD1-CB 4.05Å; F237-F255 HydrophobicContact CD2-CB 3.41Å; F237-F255 VanDerWaalsContact CD2-CB 3.41Å; F237-F255 AromaticContact CD2-CD1 3.62Å; F237-F255 HydrophobicContact CD2-CD1 3.62Å; F237-F255 HydrophobicContact CD2-CD2 4.2Å; F237-F255 HydrophobicContact CD2-CE1 4.43Å; F237-F255 AromaticContact CD2-CG 3.48Å; F237-F255 HydrophobicContact CD2-CG 3.48Å; F237-F255 VanDerWaalsContact CD2-CG 3.48Å; F237-F255 HydrophobicContact CE1-CB 4.1Å; F237-F255 HydrophobicContact CE2-CB 3.43Å; F237-F255 VanDerWaalsContact CE2-CB 3.43Å; F237-F255 AromaticContact CE2-CD1 3.78Å; F237-F255 HydrophobicContact CE2-CD1 3.78Å; F237-F255 AromaticContact CE2-CD2 3.52Å; F237-F255 HydrophobicContact CE2-CD2 3.52Å; F237-F255 HydrophobicContact CE2-CE1 4.41Å; F237-F255 HydrophobicContact CE2-CE2 4.19Å; F237-F255 AromaticContact CE2-CG 3.28Å; F237-F255 HydrophobicContact CE2-CG 3.28Å; F237-F255 HydrophobicContact CG-CB 3.72Å; F237-F255 HydrophobicContact CG-CG 4.29Å; F237-F255 HydrophobicContact CZ-CB 3.78Å; F237-F255 HydrophobicContact CZ-CD2 4.02Å; F237-F255 AromaticContact CZ-CG 3.99Å; F237-F255 HydrophobicContact CZ-CG 3.99Å; T239-F255 HydrophobicContact CG2-CZ 4.43Å; T239-F255 WeakPolarHBondContact OG1-CE1 3.16Å; T239-F255 VanDerWaalsContact OG1-CZ 3.29Å; T239-F255 WeakPolarHBondContact OG1-CZ 3.42Å; I244-F255 HydrophobicContact CG1-CE2 4.06Å; I244-F255 HydrophobicContact CG1-CZ 3.91Å; A253-F255 HydrophobicContact CB-CD2 4.47Å; A253-F255 HydrophobicContact CB-CE2 3.59Å; A253-F255 HydrophobicContact CB-CZ 4.11Å; F255-C257 PolarHBondContact O-N 2.92Å; F255-I274 WeakPolarHBondContact O-CA 3.16Å; F255-I275 PolarHBondContact N-O 3.16Å; F255-I275 PolarHBondContact O-N 2.78Å; F255-I277 HydrophobicContact CD2-CD1 4.34Å; F255-I277 HydrophobicContact CE2-CD1 3.94Å; F255-I277 HydrophobicContact CE2-CG1 4.46Å
256E97.1Very high90.3Very high105 Ų10588.4 Ų88.449%0.49143%0.43SS..EExtended strand (participates in β ladder)trans-71.1125.7173.2-63.6-163122.800110.2I258 N271E256-I258 HydrophobicContact CB-CD1 3.99Å; E256-I258 HydrophobicContact CB-CG1 4.47Å; E256-I258 PolarHBondContact O-N 3.11Å; E256-N271 HydrophobicContact CB-CB 4Å; E256-N271 HydrophobicContact CG-CB 4.44Å; E256-N271 PolarHBondContact OE1-ND2 3.44Å
257C95.3Very high90.2Very high0 Ų093 Ų930%045%0.449CS..  trans-81114.6176-1640000109.2G235 F255 Y269 S272 G273 I275G235-C257 WeakPolarHBondContact CA-SG 3.35Å; G235-C257 PolarHBondContact O-SG 3.4Å; G235-C257 VanDerWaalsContact O-SG 3.41Å; F255-C257 PolarHBondContact O-N 2.92Å; C257-Y269 PolarHBondContact O-OH 3.25Å; C257-S272 PolarHBondContact O-N 3.22Å; C257-G273 VanDerWaalsContact CB-O 3.26Å; C257-G273 WeakPolarHBondContact CB-O 3.44Å; C257-G273 PolarHBondContact N-O 3.19Å; C257-I275 HydrophobicContact CB-CG1 4.48Å
258I97.6Very high90.3Very high43 Ų4394.5 Ų94.522%0.22147%0.467CS..BIsolated β-bridgetrans-109.2122-172.4-57.3-58.2000112G235 S236 E256 K263 Y269 N271G235-I258 WeakPolarHBondContact CA-O 3.29Å; S236-I258 PolarHBondContact N-O 3.5Å; S236-I258 PolarHBondContact O-N 2.91Å; E256-I258 HydrophobicContact CB-CD1 3.99Å; E256-I258 HydrophobicContact CB-CG1 4.47Å; E256-I258 PolarHBondContact O-N 3.11Å; I258-K263 HydrophobicContact CG2-CD 4.06Å; I258-Y269 HydrophobicContact CD1-CE1 4.31Å; I258-Y269 HydrophobicContact CG2-CE1 4.35Å; I258-N271 HydrophobicContact CD1-CB 4Å
259N96.4Very high90.6Very high13 Ų1394.7 Ų94.77%0.0746%0.464CS..  trans-93.1105.7166.9-166.6-60.1000110.6F233 I234 K261 K262 K263 Y269 S272F233-N259 WeakPolarHBondContact CD1-ND2 3.25Å; F233-N259 PolarHBondContact O-ND2 3Å; I234-N259 WeakPolarHBondContact O-CB 3.18Å; I234-N259 PolarHBondContact O-ND2 3.32Å; N259-K261 VanDerWaalsContact C-N 3.33Å; N259-K261 PolarHBondContact O-N 3.1Å; N259-K261 PolarHBondContact OD1-N 2.77Å; N259-K262 HydrophobicContact CB-CB 3.82Å; N259-K262 PolarHBondContact O-N 2.85Å; N259-K262 PolarHBondContact OD1-N 2.89Å; N259-K263 WeakPolarHBondContact O-CB 3.39Å; N259-K263 PolarHBondContact O-N 3.14Å; N259-Y269 PolarHBondContact N-OH 3.03Å; N259-S272 WeakPolarHBondContact CB-OG 3.11Å
260S93.7Very high91.3Very high70 Ų7094.9 Ų94.949%0.4946%0.463SS..Hα-helixtrans-57.4-42.9-178.155.70000112.8K262 K263 Q264S260-K262 PolarHBondContact O-N 2.93Å; S260-K263 PolarHBondContact O-N 3.15Å; S260-Q264 WeakPolarHBondContact O-CG 3.26Å; S260-Q264 PolarHBondContact O-N 3.31Å; S260-Q264 VanDerWaalsContact O-N 3.08Å
261K92.8Very high92.4Very high150 Ų15091.2 Ų91.265%0.65243%0.434SS*.Hα-helixtrans-63.6-41.6177.9-64.7-179.9-179.41750111.8N259 K265N259-K261 VanDerWaalsContact C-N 3.33Å; N259-K261 PolarHBondContact O-N 3.1Å; N259-K261 PolarHBondContact OD1-N 2.77Å; K261-K265 WeakPolarHBondContact O-CG 3.11Å; K261-K265 PolarHBondContact O-N 2.77Å
262K91.9Very high93.3Very high56 Ų5681.6 Ų81.624%0.24340%0.397CS..Hα-helixtrans-70.5-40.1177.7-167.1172.6169.4-176.90111.6D160 N259 S260 Q264 K265 K266 Y269D160-K262 IonicContact OD1-NZ 2.87Å; D160-K262 PolarHBondContact OD1-NZ 3.29Å; D160-K262 IonicContact OD2-NZ 2.57Å; D160-K262 PolarHBondContact OD2-NZ 3.25Å; N259-K262 HydrophobicContact CB-CB 3.82Å; N259-K262 PolarHBondContact O-N 2.85Å; N259-K262 PolarHBondContact OD1-N 2.89Å; S260-K262 PolarHBondContact O-N 2.93Å; K262-Q264 VanDerWaalsContact C-N 3.31Å; K262-Q264 PolarHBondContact O-N 3.22Å; K262-K265 PolarHBondContact O-N 3.05Å; K262-K266 WeakPolarHBondContact O-CB 3.14Å; K262-K266 PolarHBondContact O-N 3.19Å; K262-Y269 HydrophobicContact CB-CD2 4.35Å; K262-Y269 HydrophobicContact CB-CE2 4.2Å; K262-Y269 HydrophobicContact CD-CD2 3.81Å; K262-Y269 HydrophobicContact CD-CE2 3.62Å; K262-Y269 HydrophobicContact CG-CD2 3.74Å; K262-Y269 HydrophobicContact CG-CE2 3.89Å
263K91.3Very high93.7Very high132 Ų13280.8 Ų80.857%0.57439%0.389SS*.Hα-helixtrans-59.6-39.8176.4-172.9172.3-178.1176.10112.2I258 N259 S260 Y269I258-K263 HydrophobicContact CG2-CD 4.06Å; N259-K263 WeakPolarHBondContact O-CB 3.39Å; N259-K263 PolarHBondContact O-N 3.14Å; S260-K263 PolarHBondContact O-N 3.15Å; K263-Y269 HydrophobicContact CB-CD1 3.64Å; K263-Y269 HydrophobicContact CB-CE1 3.85Å; K263-Y269 HydrophobicContact CG-CD1 3.89Å; K263-Y269 HydrophobicContact CG-CE1 4.31Å
264Q91.9Very high93.9Very high165 Ų16582.3 Ų82.377%0.77140%0.397SS*.Hα-helixtrans-69.8-34.4176-70.6171.87.800113S260 K262S260-Q264 WeakPolarHBondContact O-CG 3.26Å; S260-Q264 PolarHBondContact O-N 3.31Å; S260-Q264 VanDerWaalsContact O-N 3.08Å; K262-Q264 VanDerWaalsContact C-N 3.31Å; K262-Q264 PolarHBondContact O-N 3.22Å
265K92.3Very high94.1Very high183 Ų18377.9 Ų77.980%0.79638%0.376SS*.Hα-helixtrans-90-31.7-173.5-70.2-179.7179.9-173.60114.7K261 K262K261-K265 WeakPolarHBondContact O-CG 3.11Å; K261-K265 PolarHBondContact O-N 2.77Å; K262-K265 PolarHBondContact O-N 3.05Å
266K90.8Very high94.1Very high126 Ų12677.3 Ų77.355%0.54838%0.375SS..SBendtrans-111.1108.9-169.3-172.8175.4-178.8178.20111.8K262 G268 Y269K262-K266 WeakPolarHBondContact O-CB 3.14Å; K262-K266 PolarHBondContact O-N 3.19Å; K266-G268 PolarHBondContact O-N 3.05Å; K266-Y269 VanDerWaalsContact O-CB 3.32Å; K266-Y269 WeakPolarHBondContact O-CB 3Å; K266-Y269 PolarHBondContact O-N 2.78Å; K266-Y269 VanDerWaalsContact O-N 3.16Å
267K88.1Confident94Very high214 Ų21472.3 Ų72.393%0.9335%0.352SS*.THydrogen-bonded Turntrans-61.1126.1172.5-159.1175.3-176.2179.90109.6
268G88.6Confident94Very high71 Ų7176.8 Ų76.873%0.73237%0.371SS*.THydrogen-bonded Turntrans84.710.5-176.800000115.6K266 K270K266-G268 PolarHBondContact O-N 3.05Å; G268-K270 PolarHBondContact O-N 3.32Å
269Y92.7Very high93.7Very high30 Ų3077.2 Ų77.212%0.11837%0.372CS..  trans-61.2129.2169.6172.7-95000111.2C257 I258 N259 K262 K263 K266 N271 S272C257-Y269 PolarHBondContact O-OH 3.25Å; I258-Y269 HydrophobicContact CD1-CE1 4.31Å; I258-Y269 HydrophobicContact CG2-CE1 4.35Å; N259-Y269 PolarHBondContact N-OH 3.03Å; K262-Y269 HydrophobicContact CB-CD2 4.35Å; K262-Y269 HydrophobicContact CB-CE2 4.2Å; K262-Y269 HydrophobicContact CD-CD2 3.81Å; K262-Y269 HydrophobicContact CD-CE2 3.62Å; K262-Y269 HydrophobicContact CG-CD2 3.74Å; K262-Y269 HydrophobicContact CG-CE2 3.89Å; K263-Y269 HydrophobicContact CB-CD1 3.64Å; K263-Y269 HydrophobicContact CB-CE1 3.85Å; K263-Y269 HydrophobicContact CG-CD1 3.89Å; K263-Y269 HydrophobicContact CG-CE1 4.31Å; K266-Y269 VanDerWaalsContact O-CB 3.32Å; K266-Y269 WeakPolarHBondContact O-CB 3Å; K266-Y269 PolarHBondContact O-N 2.78Å; K266-Y269 VanDerWaalsContact O-N 3.16Å; Y269-N271 VanDerWaalsContact CE2-C 3.46Å; Y269-N271 WeakPolarHBondContact CE2-O 3.49Å; Y269-N271 VanDerWaalsContact CZ-C 3.43Å; Y269-N271 VanDerWaalsContact CZ-CA 3.48Å; Y269-N271 WeakPolarHBondContact OH-CA 3.43Å; Y269-S272 PolarHBondContact OH-N 3.07Å; Y269-S272 PolarHBondContact OH-OG 3.07Å
270K92.8Very high93.6Very high171 Ų17177.1 Ų77.174%0.74337%0.372SS*.  trans-98.9-68174.3-65.4-171.8176.5-173.90110.7G268G268-K270 PolarHBondContact O-N 3.32Å
271N96Very high93.5Very high39 Ų3979.1 Ų79.121%0.20937%0.372CS..  trans-154.1175.9178.158.855000110.6E256 I258 Y269 G273E256-N271 HydrophobicContact CB-CB 4Å; E256-N271 HydrophobicContact CG-CB 4.44Å; E256-N271 PolarHBondContact OE1-ND2 3.44Å; I258-N271 HydrophobicContact CD1-CB 4Å; Y269-N271 VanDerWaalsContact CE2-C 3.46Å; Y269-N271 WeakPolarHBondContact CE2-O 3.49Å; Y269-N271 VanDerWaalsContact CZ-C 3.43Å; Y269-N271 VanDerWaalsContact CZ-CA 3.48Å; Y269-N271 WeakPolarHBondContact OH-CA 3.43Å; N271-G273 PolarHBondContact OD1-N 2.9Å
272S96.6Very high93.5Very high0 Ų074.7 Ų74.70%036%0.355CS..SBendtrans-10323.2174.1-62.90000111.4L159 D160 I234 C257 N259 Y269L159-S272 WeakPolarHBondContact CA-O 3.39Å; D160-S272 PolarHBondContact N-O 3.49Å; D160-S272 WeakPolarHBondContact OD2-CB 3.45Å; D160-S272 PolarHBondContact OD2-OG 3.17Å; D160-S272 VanDerWaalsContact OD2-OG 3.09Å; I234-S272 WeakPolarHBondContact CG2-O 3.41Å; I234-S272 VanDerWaalsContact O-CB 3.23Å; I234-S272 WeakPolarHBondContact O-CB 3.29Å; I234-S272 PolarHBondContact O-OG 2.69Å; C257-S272 PolarHBondContact O-N 3.22Å; N259-S272 WeakPolarHBondContact CB-OG 3.11Å; Y269-S272 PolarHBondContact OH-N 3.07Å; Y269-S272 PolarHBondContact OH-OG 3.07Å
273G97.1Very high93.4Very high0 Ų074 Ų740%036%0.355CS..  trans116.5175.6-171.800000113.2R157 S158 C257 N271R157-G273 WeakPolarHBondContact O-CA 3.06Å; S158-G273 WeakPolarHBondContact O-CA 3.12Å; C257-G273 VanDerWaalsContact CB-O 3.26Å; C257-G273 WeakPolarHBondContact CB-O 3.44Å; C257-G273 PolarHBondContact N-O 3.19Å; N271-G273 PolarHBondContact OD1-N 2.9Å
274I97.9Very high93.2Very high33 Ų3371.1 Ų71.117%0.16934%0.343CS..EExtended strand (participates in β ladder)trans-122.9128.1-178-61172.4000108.7A156 R157 E254 F255 I276A156-I274 CarbonylContact C-O 3.49Å; A156-I274 WeakPolarHBondContact CA-O 3.46Å; A156-I274 WeakPolarHBondContact CB-O 3.42Å; R157-I274 HydrophobicContact CG-CB 4.02Å; R157-I274 PolarHBondContact N-O 2.8Å; R157-I274 PolarHBondContact O-N 3.16Å; E254-I274 HydrophobicContact CB-CG2 4.03Å; F255-I274 WeakPolarHBondContact O-CA 3.16Å; I274-I276 HydrophobicContact CG2-CG1 4.17Å
275I97.9Very high92.9Very high1 Ų166.5 Ų66.51%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-91.8131.7170.3-57.7-55.5000108.3I154 A156 L159 L172 W199 F237 E254 F255 C257I154-I275 HydrophobicContact CG2-CG2 3.78Å; A156-I275 HydrophobicContact CB-CD1 3.54Å; L159-I275 HydrophobicContact CD2-CD1 4.14Å; L172-I275 HydrophobicContact CD1-CG2 4.46Å; L172-I275 HydrophobicContact CD2-CD1 3.96Å; W199-I275 HydrophobicContact CH2-CD1 4.18Å; W199-I275 HydrophobicContact CZ3-CD1 4.49Å; F237-I275 HydrophobicContact CD1-CG1 4.49Å; F237-I275 HydrophobicContact CE1-CB 3.81Å; F237-I275 HydrophobicContact CE1-CG1 3.74Å; F237-I275 HydrophobicContact CE1-CG2 4.08Å; F237-I275 HydrophobicContact CZ-CB 4.1Å; F237-I275 HydrophobicContact CZ-CG1 4.5Å; F237-I275 HydrophobicContact CZ-CG2 4.01Å; E254-I275 WeakPolarHBondContact CA-O 3.43Å; F255-I275 PolarHBondContact N-O 3.16Å; F255-I275 PolarHBondContact O-N 2.78Å; C257-I275 HydrophobicContact CB-CG1 4.48Å
276I97.2Very high92.8Very high22 Ų2259.7 Ų59.711%0.11329%0.291CS..EExtended strand (participates in β ladder)trans-120.7110.2-174.6-51.5164.2000107.6I154 A155 R157 A252 A253 E254 I274 K278I154-I276 WeakPolarHBondContact CA-O 3.41Å; A155-I276 PolarHBondContact N-O 2.93Å; A155-I276 PolarHBondContact O-N 3.02Å; R157-I276 HydrophobicContact CB-CD1 4.45Å; R157-I276 HydrophobicContact CG-CD1 4.05Å; A252-I276 HydrophobicContact CB-CG2 3.83Å; A253-I276 CarbonylContact O-C 3.58Å; A253-I276 WeakPolarHBondContact O-CA 3.4Å; E254-I276 HydrophobicContact CG-CG1 4.34Å; E254-I276 HydrophobicContact CG-CG2 4.34Å; I274-I276 HydrophobicContact CG2-CG1 4.17Å; I276-K278 HydrophobicContact CG2-CG 4.27Å; I276-K278 PolarHBondContact O-N 3.01Å
277I96.4Very high92.8Very high0 Ų055 Ų550%027%0.273CS..EExtended strand (participates in β ladder)trans-90104.9171.4-54.2179.8000106.9L152 I154 I244 A253 F255 Q279 C280L152-I277 HydrophobicContact CD2-CG2 3.92Å; I154-I277 HydrophobicContact CD1-CG1 4.3Å; I154-I277 HydrophobicContact CG1-CG1 4.29Å; I154-I277 HydrophobicContact CG1-CG2 4.43Å; I244-I277 HydrophobicContact CD1-CD1 3.71Å; I244-I277 HydrophobicContact CG1-CD1 3.89Å; I244-I277 HydrophobicContact CG2-CB 4.2Å; I244-I277 HydrophobicContact CG2-CD1 3.83Å; I244-I277 HydrophobicContact CG2-CG2 3.77Å; A253-I277 HydrophobicContact CB-CB 4.27Å; A253-I277 PolarHBondContact N-O 3.24Å; A253-I277 PolarHBondContact O-N 2.86Å; F255-I277 HydrophobicContact CD2-CD1 4.34Å; F255-I277 HydrophobicContact CE2-CD1 3.94Å; F255-I277 HydrophobicContact CE2-CG1 4.46Å; I277-Q279 WeakPolarHBondContact CG2-O 3.42Å; I277-C280 HydrophobicContact CG2-CB 4.18Å
278K93.6Very high92.9Very high94 Ų9445.5 Ų45.541%0.40923%0.231SC..EExtended strand (participates in β ladder)trans-77-35.4-178.3-65.5179.1176.9176.50111.8E153 I276E153-K278 HydrophobicContact CB-CB 4.28Å; E153-K278 PolarHBondContact O-N 3.25Å; I276-K278 HydrophobicContact CG2-CG 4.27Å; I276-K278 PolarHBondContact O-N 3.01Å
279Q92.6Very high93Very high52 Ų5242.2 Ų42.224%0.24320%0.197CC..EExtended strand (participates in β ladder)trans-140.1135.8178.9-174.3170.8-6000110L152 E153 I277 K281L152-Q279 WeakPolarHBondContact CA-O 3.38Å; E153-Q279 HydrophobicContact CB-CB 3.9Å; E153-Q279 HydrophobicContact CG-CB 4Å; E153-Q279 PolarHBondContact N-O 3.28Å; E153-Q279 VanDerWaalsContact N-O 3.08Å; E153-Q279 PolarHBondContact O-N 3.12Å; I277-Q279 WeakPolarHBondContact CG2-O 3.42Å; Q279-K281 HydrophobicContact CG-CD 4.14Å; Q279-K281 HydrophobicContact CG-CG 3.92Å
280C93.6Very high92.9Very high11 Ų1141.3 Ų41.37%0.07419%0.194CC..EExtended strand (participates in β ladder)trans-140.7101.5169.5179.50000108.5V150 A151 L152 I244 I277V150-C280 VanDerWaalsContact CG1-SG 3.57Å; A151-C280 WeakPolarHBondContact O-CA 3.27Å; L152-C280 HydrophobicContact CD2-CB 3.91Å; I244-C280 HydrophobicContact CG2-CB 3.42Å; I244-C280 VanDerWaalsContact CG2-CB 3.42Å; I277-C280 HydrophobicContact CG2-CB 4.18Å
281K92.3Very high92.9Very high112 Ų11233.3 Ų33.349%0.48716%0.16SC..EExtended strand (participates in β ladder)trans-122.7127.9179.8-67.2-177.2-174.4164.90109.8A151 Q279 V283A151-K281 PolarHBondContact N-O 2.86Å; A151-K281 PolarHBondContact O-N 2.93Å; Q279-K281 HydrophobicContact CG-CD 4.14Å; Q279-K281 HydrophobicContact CG-CG 3.92Å; K281-V283 HydrophobicContact CB-CG1 4.24Å; K281-V283 PolarHBondContact O-N 3.11Å
282I91.4Very high92.7Very high57 Ų5731.6 Ų31.629%0.29215%0.15SC..EExtended strand (participates in β ladder)trans-75.5121166.5-62.8172.8000106.7R148 A149 I206 V214R148-I282 HydrophobicContact CB-CG2 3.97Å; R148-I282 HydrophobicContact CG-CG2 4.2Å; A149-I282 WeakPolarHBondContact O-CA 3.46Å; I206-I282 HydrophobicContact CD1-CD1 4.29Å; V214-I282 HydrophobicContact CG1-CD1 3.94Å
283V90.2Very high92.4Very high41 Ų4132.6 Ų32.625%0.24816%0.155CC..EExtended strand (participates in β ladder)trans-122.3150.5179.7-62.40000109R148 A149 A151 K281R148-V283 WeakPolarHBondContact CA-O 3.47Å; A149-V283 HydrophobicContact CB-CG2 4.47Å; A149-V283 PolarHBondContact N-O 3.38Å; A149-V283 WeakPolarHBondContact O-CG2 3.38Å; A149-V283 PolarHBondContact O-N 3.19Å; A151-V283 HydrophobicContact CB-CG1 4.23Å; A151-V283 HydrophobicContact CB-CG2 4.17Å; K281-V283 HydrophobicContact CB-CG1 4.24Å; K281-V283 PolarHBondContact O-N 3.11Å
284K86.8Confident92.1Very high71 Ų7132.6 Ų32.631%0.30916%0.155SC..EExtended strand (participates in β ladder)trans-81.9127.5168.9-172.1174.2176.5-172.60108.8N147 Y286 D290N147-K284 HydrophobicContact CB-CG 4.43Å; K284-Y286 HydrophobicContact CD-CD1 4.05Å; K284-Y286 HydrophobicContact CD-CE1 3.71Å; K284-Y286 HydrophobicContact CG-CD1 4.27Å; K284-Y286 HydrophobicContact CG-CE1 4.19Å; K284-D290 WeakPolarHBondContact CE-OD1 3.41Å; K284-D290 WeakPolarHBondContact CE-OD2 3.2Å; K284-D290 IonicContact NZ-OD1 2.68Å; K284-D290 PolarHBondContact NZ-OD1 3.08Å; K284-D290 IonicContact NZ-OD2 3.39Å
285E87Confident91.7Very high69 Ų6932.9 Ų32.932%0.32217%0.167SC..  trans-97.8108.3168.3-66.5-159.8138.200108.5N147 A149 R203 T287N147-E285 WeakPolarHBondContact CB-O 3.38Å; N147-E285 PolarHBondContact O-N 3.13Å; A149-E285 VanDerWaalsContact CB-CD 3.43Å; A149-E285 HydrophobicContact CB-CG 3.6Å; R203-E285 WeakPolarHBondContact CD-OE1 3.32Å; R203-E285 IonicContact NE-OE1 2.68Å; R203-E285 IonicContact NH1-OE1 3.15Å; R203-E285 PolarHBondContact NH1-OE1 2.83Å; E285-T287 PolarHBondContact O-N 3.28Å
286Y89.6Confident91.4Very high39 Ų3933.1 Ų33.115%0.15317%0.168CC..  trans-69.4124.3-177.7-59.2-76.9000110.5K284 D290 K533 P534 D537K284-Y286 HydrophobicContact CD-CD1 4.05Å; K284-Y286 HydrophobicContact CD-CE1 3.71Å; K284-Y286 HydrophobicContact CG-CD1 4.27Å; K284-Y286 HydrophobicContact CG-CE1 4.19Å; Y286-D290 WeakPolarHBondContact CA-OD2 3.21Å; Y286-D290 HydrophobicContact CD1-CB 4.03Å; Y286-K533 HydrophobicContact CE2-CB 4.1Å; Y286-K533 HydrophobicContact CE2-CD 4.38Å; Y286-K533 HydrophobicContact CE2-CG 3.77Å; Y286-K533 WeakPolarHBondContact OH-CD 3.38Å; Y286-P534 HydrophobicContact CD1-CG 3.39Å; Y286-P534 VanDerWaalsContact CE1-CD 3.41Å; Y286-P534 HydrophobicContact CE1-CG 3.82Å; Y286-P534 VanDerWaalsContact CG-CD 3.44Å; Y286-P534 HydrophobicContact CG-CG 3.79Å; Y286-D537 PolarHBondContact OH-OD2 3.14Å
287T90.1Very high91.1Very high27 Ų2735.3 Ų35.317%0.16618%0.178CC..  trans-78.5174.5173.462.40000110.6E143 N147 E285 L289 D290 Y291E143-T287 WeakPolarHBondContact OE1-CB 3.43Å; E143-T287 WeakPolarHBondContact OE1-CG2 3.35Å; E143-T287 PolarHBondContact OE1-OG1 3.42Å; E143-T287 PolarHBondContact OE2-OG1 3.08Å; N147-T287 VanDerWaalsContact CG-CG2 3.44Å; N147-T287 WeakPolarHBondContact ND2-CG2 3.33Å; N147-T287 WeakPolarHBondContact OD1-CG2 3.37Å; E285-T287 PolarHBondContact O-N 3.28Å; T287-L289 VanDerWaalsContact C-N 3.31Å; T287-L289 PolarHBondContact O-N 3.42Å; T287-D290 PolarHBondContact N-OD2 3.5Å; T287-D290 WeakPolarHBondContact O-CB 3.4Å; T287-D290 PolarHBondContact O-N 3.37Å; T287-D290 PolarHBondContact OG1-N 2.92Å; T287-D290 VanDerWaalsContact OG1-N 3.15Å; T287-D290 PolarHBondContact OG1-OD2 3.39Å; T287-Y291 WeakPolarHBondContact O-CD2 3.3Å; T287-Y291 PolarHBondContact O-N 3.3Å
288F91.4Very high90.9Very high15 Ų1535.5 Ų35.57%0.06618%0.179CC..Hα-helixtrans-57.8-44.9172.5176.4-106.9000111.8F78 D290 Y291 I292 I298 Y344 P520 V523 T524F78-F288 HydrophobicContact CB-CE1 4.5Å; F78-F288 HydrophobicContact CD2-CD1 4.42Å; F78-F288 AromaticContact CD2-CE1 3.41Å; F78-F288 HydrophobicContact CD2-CE1 3.41Å; F78-F288 VanDerWaalsContact CD2-CE1 3.41Å; F78-F288 AromaticContact CD2-CZ 3.73Å; F78-F288 HydrophobicContact CD2-CZ 3.73Å; F78-F288 AromaticContact CE2-CE1 3.79Å; F78-F288 HydrophobicContact CE2-CE1 3.79Å; F78-F288 AromaticContact CE2-CZ 3.59Å; F78-F288 HydrophobicContact CE2-CZ 3.59Å; F78-F288 HydrophobicContact CG-CE1 4.05Å; F78-F288 HydrophobicContact CG-CZ 4.48Å; F78-F288 HydrophobicContact CZ-CZ 4.24Å; F288-D290 PolarHBondContact O-N 3.45Å; F288-Y291 PolarHBondContact O-N 3.17Å; F288-Y291 VanDerWaalsContact O-N 3.14Å; F288-I292 HydrophobicContact CD1-CG1 4.11Å; F288-I292 HydrophobicContact CD2-CG1 4.38Å; F288-I292 HydrophobicContact CE1-CD1 4.29Å; F288-I292 HydrophobicContact CE1-CG1 3.65Å; F288-I292 HydrophobicContact CE2-CD1 3.96Å; F288-I292 HydrophobicContact CE2-CG1 3.96Å; F288-I292 HydrophobicContact CG-CG1 4.46Å; F288-I292 HydrophobicContact CZ-CD1 3.71Å; F288-I292 HydrophobicContact CZ-CG1 3.57Å; F288-I292 WeakPolarHBondContact O-CG1 3.25Å; F288-I292 PolarHBondContact O-N 2.99Å; F288-I298 HydrophobicContact CE2-CD1 4.37Å; F288-Y344 HydrophobicContact CE1-CE1 4.5Å; F288-P520 HydrophobicContact CB-CB 3.88Å; F288-P520 HydrophobicContact CD1-CB 4.22Å; F288-P520 HydrophobicContact CD1-CG 4.4Å; F288-P520 HydrophobicContact CD2-CB 4.04Å; F288-P520 HydrophobicContact CG-CB 3.78Å; F288-P520 HydrophobicContact CG-CG 4.38Å; F288-V523 HydrophobicContact CD2-CB 4.12Å; F288-V523 HydrophobicContact CD2-CG1 4.09Å; F288-V523 HydrophobicContact CD2-CG2 4.45Å; F288-V523 HydrophobicContact CE2-CB 4.35Å; F288-V523 HydrophobicContact CE2-CG1 4.33Å; F288-V523 HydrophobicContact CE2-CG2 4.19Å; F288-T524 HydrophobicContact CB-CG2 4.06Å; F288-T524 VanDerWaalsContact N-CG2 3.29Å
289L90.3Very high90.8Very high2 Ų232.7 Ų32.71%0.0117%0.168CC..Hα-helixtrans-66-35.3178.6-79.2-174.4000113.1T16 V18 Y76 V115 E143 T287 Y291 I292 M293T16-L289 HydrophobicContact CG2-CD1 3.92Å; V18-L289 HydrophobicContact CG2-CD1 3.69Å; Y76-L289 HydrophobicContact CD1-CD1 3.63Å; Y76-L289 HydrophobicContact CD1-CD2 4.16Å; Y76-L289 HydrophobicContact CD1-CG 3.98Å; Y76-L289 HydrophobicContact CE1-CD1 3.95Å; Y76-L289 HydrophobicContact CE1-CD2 3.63Å; Y76-L289 HydrophobicContact CE1-CG 3.76Å; Y76-L289 HydrophobicContact CE2-CD2 4.17Å; Y76-L289 HydrophobicContact CG-CD1 3.97Å; V115-L289 HydrophobicContact CB-CD2 4.01Å; V115-L289 HydrophobicContact CG1-CD2 4.38Å; V115-L289 HydrophobicContact CG2-CD2 3.95Å; E143-L289 HydrophobicContact CG-CB 4.45Å; E143-L289 HydrophobicContact CG-CD1 4.32Å; T287-L289 VanDerWaalsContact C-N 3.31Å; T287-L289 PolarHBondContact O-N 3.42Å; L289-Y291 PolarHBondContact O-N 3.21Å; L289-I292 PolarHBondContact O-N 2.97Å; L289-M293 HydrophobicContact CD1-CE 4.2Å; L289-M293 HydrophobicContact CD2-CE 4.42Å; L289-M293 VanDerWaalsContact O-CB 3.27Å; L289-M293 WeakPolarHBondContact O-CB 3.22Å; L289-M293 WeakPolarHBondContact O-CG 3.35Å; L289-M293 PolarHBondContact O-N 3.34Å
290D90.7Very high90.9Very high11 Ų1130.3 Ų30.36%0.05916%0.157CC..Hα-helixtrans-54.3-41.8171.4-88.9-53.7000111.4N147 K284 Y286 T287 F288 G294 P534N147-D290 PolarHBondContact ND2-OD2 3.09Å; K284-D290 WeakPolarHBondContact CE-OD1 3.41Å; K284-D290 WeakPolarHBondContact CE-OD2 3.2Å; K284-D290 IonicContact NZ-OD1 2.68Å; K284-D290 PolarHBondContact NZ-OD1 3.08Å; K284-D290 IonicContact NZ-OD2 3.39Å; Y286-D290 WeakPolarHBondContact CA-OD2 3.21Å; Y286-D290 HydrophobicContact CD1-CB 4.03Å; T287-D290 PolarHBondContact N-OD2 3.5Å; T287-D290 WeakPolarHBondContact O-CB 3.4Å; T287-D290 PolarHBondContact O-N 3.37Å; T287-D290 PolarHBondContact OG1-N 2.92Å; T287-D290 VanDerWaalsContact OG1-N 3.15Å; T287-D290 PolarHBondContact OG1-OD2 3.39Å; F288-D290 PolarHBondContact O-N 3.45Å; D290-G294 WeakPolarHBondContact O-CA 3.23Å; D290-G294 PolarHBondContact O-N 3.44Å; D290-P534 HydrophobicContact CB-CG 4.11Å; D290-P534 WeakPolarHBondContact O-CB 3.36Å
291Y92.4Very high91Very high4 Ų430 Ų302%0.01616%0.155CC..Hα-helixtrans-69.9-48.1176.5-70.2-74.3000112.1T287 F288 L289 G294 G295 C296 A425 T524 F527 L532 P534T287-Y291 WeakPolarHBondContact O-CD2 3.3Å; T287-Y291 PolarHBondContact O-N 3.3Å; F288-Y291 PolarHBondContact O-N 3.17Å; F288-Y291 VanDerWaalsContact O-N 3.14Å; L289-Y291 PolarHBondContact O-N 3.21Å; Y291-G294 CarbonylContact O-C 3.5Å; Y291-G294 WeakPolarHBondContact O-CA 3.36Å; Y291-G294 PolarHBondContact O-N 3.46Å; Y291-G295 PolarHBondContact O-N 3.08Å; Y291-C296 WeakPolarHBondContact O-CB 3.3Å; Y291-C296 PolarHBondContact O-N 3.18Å; Y291-A425 HydrophobicContact CD1-CB 3.71Å; Y291-A425 HydrophobicContact CE1-CB 3.71Å; Y291-T524 HydrophobicContact CD2-CG2 4.32Å; Y291-T524 HydrophobicContact CE2-CG2 4.28Å; Y291-F527 AromaticContact CD1-CD2 3.61Å; Y291-F527 HydrophobicContact CD1-CD2 3.61Å; Y291-F527 HydrophobicContact CD1-CE2 4.07Å; Y291-F527 HydrophobicContact CD1-CG 4.23Å; Y291-F527 HydrophobicContact CD2-CD2 4.09Å; Y291-F527 HydrophobicContact CE1-CB 3.63Å; Y291-F527 AromaticContact CE1-CD2 3.59Å; Y291-F527 HydrophobicContact CE1-CD2 3.59Å; Y291-F527 HydrophobicContact CE1-CE2 4.44Å; Y291-F527 AromaticContact CE1-CG 3.77Å; Y291-F527 HydrophobicContact CE1-CG 3.77Å; Y291-F527 HydrophobicContact CE2-CB 4.14Å; Y291-F527 HydrophobicContact CE2-CD2 4.09Å; Y291-F527 AromaticContact CG-CD2 3.89Å; Y291-F527 HydrophobicContact CG-CD2 3.89Å; Y291-F527 HydrophobicContact CG-CE2 4.29Å; Y291-F527 VanDerWaalsContact CZ-CB 3.41Å; Y291-F527 AromaticContact CZ-CD2 3.85Å; Y291-F527 AromaticContact CZ-CG 3.98Å; Y291-F527 VanDerWaalsContact OH-CB 3.24Å; Y291-F527 WeakPolarHBondContact OH-CB 3.02Å; Y291-L532 PolarHBondContact OH-O 2.62Å; Y291-L532 VanDerWaalsContact OH-O 3.08Å; Y291-P534 HydrophobicContact CD1-CB 4.23Å; Y291-P534 HydrophobicContact CD1-CG 3.86Å; Y291-P534 HydrophobicContact CE1-CG 4.02Å; Y291-P534 HydrophobicContact CG-CG 4.32Å
292I91.6Very high91.3Very high3 Ų324.7 Ų24.72%0.01513%0.132CC..Hα-helixtrans-61.3-53.8-179.2-64.1-56.6000111.2F288 L289 G294 G295 I298 Y344F288-I292 HydrophobicContact CD1-CG1 4.11Å; F288-I292 HydrophobicContact CD2-CG1 4.38Å; F288-I292 HydrophobicContact CE1-CD1 4.29Å; F288-I292 HydrophobicContact CE1-CG1 3.65Å; F288-I292 HydrophobicContact CE2-CD1 3.96Å; F288-I292 HydrophobicContact CE2-CG1 3.96Å; F288-I292 HydrophobicContact CG-CG1 4.46Å; F288-I292 HydrophobicContact CZ-CD1 3.71Å; F288-I292 HydrophobicContact CZ-CG1 3.57Å; F288-I292 WeakPolarHBondContact O-CG1 3.25Å; F288-I292 PolarHBondContact O-N 2.99Å; L289-I292 PolarHBondContact O-N 2.97Å; I292-G294 PolarHBondContact O-N 3.16Å; I292-G295 PolarHBondContact O-N 2.98Å; I292-I298 HydrophobicContact CD1-CD1 3.92Å; I292-I298 HydrophobicContact CD1-CG1 3.61Å; I292-Y344 HydrophobicContact CD1-CD1 4.37Å; I292-Y344 HydrophobicContact CG1-CD1 4.43Å; I292-Y344 HydrophobicContact CG2-CD1 4.02Å; I292-Y344 HydrophobicContact CG2-CE1 4.47Å
293M89.9Confident91.6Very high20 Ų2022 Ų2210%0.09912%0.118CC..Hα-helixtrans-65.1-24176.6-66.2179.9177.600112.3V18 V115 A141 E143 L289 G295V18-M293 HydrophobicContact CG1-CE 4.47Å; V18-M293 HydrophobicContact CG2-CE 4.43Å; V115-M293 HydrophobicContact CB-CE 3.78Å; V115-M293 HydrophobicContact CB-CG 4.46Å; V115-M293 HydrophobicContact CG1-CE 3.59Å; V115-M293 VanDerWaalsContact O-CG 3.29Å; V115-M293 WeakPolarHBondContact O-CG 3.39Å; A141-M293 HydrophobicContact CB-CE 3.91Å; E143-M293 HydrophobicContact CB-SD 4.49Å; L289-M293 HydrophobicContact CD1-CE 4.2Å; L289-M293 HydrophobicContact CD2-CE 4.42Å; L289-M293 VanDerWaalsContact O-CB 3.27Å; L289-M293 WeakPolarHBondContact O-CB 3.22Å; L289-M293 WeakPolarHBondContact O-CG 3.35Å; L289-M293 PolarHBondContact O-N 3.34Å; M293-G295 PolarHBondContact O-N 3.49Å
294G90.4Very high92Very high0 Ų020 Ų200%011%0.106CC..THydrogen-bonded Turntrans-77.7-0.817300000114.3D290 Y291 I292 P535 Q536D290-G294 WeakPolarHBondContact O-CA 3.23Å; D290-G294 PolarHBondContact O-N 3.44Å; Y291-G294 CarbonylContact O-C 3.5Å; Y291-G294 WeakPolarHBondContact O-CA 3.36Å; Y291-G294 PolarHBondContact O-N 3.46Å; I292-G294 PolarHBondContact O-N 3.16Å; G294-P535 WeakPolarHBondContact O-CB 3.2Å; G294-P535 WeakPolarHBondContact O-CD 3.4Å; G294-Q536 WeakPolarHBondContact CA-O 3.12Å; G294-Q536 WeakPolarHBondContact O-CB 3.48Å; G294-Q536 PolarHBondContact O-N 3.37Å
295G90.1Very high92.5Very high40 Ų4016.6 Ų16.641%0.4129%0.091SC..THydrogen-bonded Turntrans92.117177.300000115Y291 I292 M293Y291-G295 PolarHBondContact O-N 3.08Å; I292-G295 PolarHBondContact O-N 2.98Å; M293-G295 PolarHBondContact O-N 3.49Å
296C92.6Very high93Very high6 Ų613.3 Ų13.34%0.0418%0.076CC..  trans-69128.8166.6-176.40000109.7Y291 A425Y291-C296 WeakPolarHBondContact O-CB 3.3Å; Y291-C296 PolarHBondContact O-N 3.18Å; C296-A425 VanDerWaalsContact CB-O 3.23Å; C296-A425 WeakPolarHBondContact CB-O 3.25Å; C296-A425 PolarHBondContact SG-O 3.01Å; C296-A425 VanDerWaalsContact SG-O 3.36Å
297Q90Very high93.3Very high67 Ų6711.6 Ų11.631%0.3137%0.069SC..EExtended strand (participates in β ladder)trans-97.7140.6174.6-62.4179.1-19.100110.8S346 S426 Y428Q297-S346 PolarHBondContact NE2-OG 3.13Å; Q297-S426 PolarHBondContact N-O 3.36Å; Q297-Y428 PolarHBondContact O-N 2.83Å
298I91.6Very high93.5Very high5 Ų512.1 Ų12.13%0.0268%0.081CC..EExtended strand (participates in β ladder)trans-103.4101.1173.2-53-57.2000107.8F288 I292 Y344 Y428 V430 V523F288-I298 HydrophobicContact CE2-CD1 4.37Å; I292-I298 HydrophobicContact CD1-CD1 3.92Å; I292-I298 HydrophobicContact CD1-CG1 3.61Å; I298-Y344 PolarHBondContact N-O 3.29Å; I298-Y428 CarbonylContact C-O 3.55Å; I298-Y428 WeakPolarHBondContact CA-O 3.41Å; I298-V430 HydrophobicContact CG2-CG2 3.64Å; I298-V523 HydrophobicContact CD1-CG2 4.39Å
299N93.1Very high93.6Very high34 Ų3414.9 Ų14.918%0.18210%0.102CC..EExtended strand (participates in β ladder)trans-83.2120.6-179.7-61.9-81.4000109.7Q427 Y428 F429 V430N299-Q427 PolarHBondContact ND2-OE1 3.17Å; N299-Q427 PolarHBondContact OD1-OE1 3.3Å; N299-Y428 PolarHBondContact N-O 3.05Å; N299-F429 HydrophobicContact CB-CD1 3.57Å; N299-F429 HydrophobicContact CB-CE1 3.78Å; N299-F429 HydrophobicContact CB-CG 4.42Å; N299-F429 CarbonylContact O-C 3.58Å; N299-F429 WeakPolarHBondContact O-CA 3.36Å; N299-V430 PolarHBondContact O-N 2.82Å
300F93.3Very high93.8Very high2 Ų215 Ų151%0.00910%0.102CC..EExtended strand (participates in β ladder)trans-110.7122.2-174.3-159.6-93000112.8I302 V337 I341 F350 P351 V430 L432F300-I302 HydrophobicContact CD1-CD1 4.36Å; F300-I302 HydrophobicContact CD1-CG1 3.74Å; F300-I302 HydrophobicContact CE1-CD1 4.35Å; F300-I302 HydrophobicContact CE1-CG1 3.67Å; F300-V337 HydrophobicContact CE2-CG1 4.3Å; F300-V337 HydrophobicContact CZ-CG1 3.69Å; F300-I341 HydrophobicContact CB-CD1 3.75Å; F300-I341 HydrophobicContact CD1-CD1 3.04Å; F300-I341 HydrophobicContact CD1-CG1 4.5Å; F300-I341 HydrophobicContact CD2-CB 4.21Å; F300-I341 HydrophobicContact CD2-CD1 3.33Å; F300-I341 HydrophobicContact CD2-CG1 4.35Å; F300-I341 HydrophobicContact CD2-CG2 4.06Å; F300-I341 HydrophobicContact CE1-CD1 3.16Å; F300-I341 HydrophobicContact CE2-CB 4.43Å; F300-I341 HydrophobicContact CE2-CD1 3.49Å; F300-I341 VanDerWaalsContact CE2-CD1 3.49Å; F300-I341 HydrophobicContact CE2-CG2 3.86Å; F300-I341 HydrophobicContact CG-CD1 3.1Å; F300-I341 HydrophobicContact CG-CG1 4.35Å; F300-I341 HydrophobicContact CZ-CD1 3.39Å; F300-I341 HydrophobicContact CZ-CG2 4.46Å; F300-F350 HydrophobicContact CB-CD1 4.05Å; F300-F350 HydrophobicContact CB-CE1 4.19Å; F300-P351 WeakPolarHBondContact O-CD 3.35Å; F300-V430 CarbonylContact C-O 3.6Å; F300-V430 WeakPolarHBondContact CA-O 3.38Å; F300-V430 HydrophobicContact CD2-CB 3.57Å; F300-V430 HydrophobicContact CD2-CG1 3.61Å; F300-V430 HydrophobicContact CE2-CB 3.95Å; F300-V430 HydrophobicContact CE2-CG1 3.41Å; F300-V430 VanDerWaalsContact CE2-CG1 3.41Å; F300-V430 HydrophobicContact CG-CB 4.49Å; F300-V430 HydrophobicContact CZ-CG1 4.45Å; F300-L432 HydrophobicContact CE1-CB 3.46Å; F300-L432 VanDerWaalsContact CE1-CB 3.46Å; F300-L432 HydrophobicContact CE1-CD2 3.76Å; F300-L432 HydrophobicContact CE1-CG 4.24Å; F300-L432 HydrophobicContact CE2-CB 4.36Å; F300-L432 HydrophobicContact CZ-CB 3.34Å; F300-L432 HydrophobicContact CZ-CD2 3.84Å; F300-L432 HydrophobicContact CZ-CG 4.13Å
301T96.6Very high94Very high5 Ų515.9 Ų15.93%0.03111%0.114CC..EExtended strand (participates in β ladder)trans-108.9133.3176.2-55.90000110.2P351 F353 V412 V430 L431 L432T301-P351 WeakPolarHBondContact CA-O 3.5Å; T301-P351 HydrophobicContact CG2-CB 4.49Å; T301-P351 HydrophobicContact CG2-CG 4.19Å; T301-P351 WeakPolarHBondContact OG1-CG 3.06Å; T301-F353 HydrophobicContact CG2-CD2 3.77Å; T301-F353 HydrophobicContact CG2-CE2 3.99Å; T301-V412 HydrophobicContact CG2-CG2 3.85Å; T301-V430 PolarHBondContact N-O 2.63Å; T301-L431 HydrophobicContact CG2-CD1 4.09Å; T301-L431 WeakPolarHBondContact O-CA 3.47Å; T301-L432 PolarHBondContact O-N 2.91Å
302I97.6Very high94.1Very high0 Ų020 Ų200%014%0.136CC..EExtended strand (participates in β ladder)trans-107.2129.5179.3-60.3167.3000109F300 I304 I334 P351 A352 F353 V386 L432F300-I302 HydrophobicContact CD1-CD1 4.36Å; F300-I302 HydrophobicContact CD1-CG1 3.74Å; F300-I302 HydrophobicContact CE1-CD1 4.35Å; F300-I302 HydrophobicContact CE1-CG1 3.67Å; I302-I304 HydrophobicContact CG2-CD1 4.37Å; I302-I304 HydrophobicContact CG2-CG1 3.97Å; I302-I334 HydrophobicContact CG2-CG1 4.4Å; I302-P351 PolarHBondContact N-O 3.41Å; I302-A352 HydrophobicContact CB-CB 4.45Å; I302-A352 CarbonylContact O-C 3.49Å; I302-A352 WeakPolarHBondContact O-CA 3.41Å; I302-F353 PolarHBondContact O-N 2.88Å; I302-V386 HydrophobicContact CD1-CB 4.39Å; I302-V386 HydrophobicContact CD1-CG1 3.82Å; I302-V386 HydrophobicContact CD1-CG2 3.99Å; I302-L432 HydrophobicContact CG1-CD2 4.5Å
303A97.9Very high94.2Very high0 Ų021.5 Ų21.50%015%0.146CC..EExtended strand (participates in β ladder)trans-123.4120177.600000109.8F353 F355 I408 L431 L432 I433 I434A303-F353 CarbonylContact C-O 3.58Å; A303-F353 VanDerWaalsContact CA-O 3.31Å; A303-F353 WeakPolarHBondContact CA-O 3.22Å; A303-F355 HydrophobicContact CB-CD1 4.31Å; A303-F355 HydrophobicContact CB-CE1 4.19Å; A303-I408 HydrophobicContact CB-CD1 4.49Å; A303-I408 HydrophobicContact CB-CG1 3.74Å; A303-I408 HydrophobicContact CB-CG2 4.43Å; A303-L431 HydrophobicContact CB-CD1 3.83Å; A303-L432 PolarHBondContact N-O 3.08Å; A303-I433 HydrophobicContact CB-CG1 4.3Å; A303-I433 WeakPolarHBondContact O-CA 3.4Å; A303-I434 PolarHBondContact O-N 3.3Å
304I98.2Very high94.3Very high0 Ų024.4 Ų24.40%017%0.169CC..EExtended strand (participates in β ladder)trans-112127-174.3-54.8173.1000108.5I302 F306 Y330 I334 F353 G354 F355 I371 Y390I302-I304 HydrophobicContact CG2-CD1 4.37Å; I302-I304 HydrophobicContact CG2-CG1 3.97Å; I304-F306 HydrophobicContact CB-CD2 4.22Å; I304-F306 HydrophobicContact CB-CE2 3.77Å; I304-F306 HydrophobicContact CG2-CD2 4.04Å; I304-F306 HydrophobicContact CG2-CE2 3.67Å; I304-F306 HydrophobicContact CG2-CZ 4.26Å; I304-F306 WeakPolarHBondContact O-CD2 3.48Å; I304-F306 PolarHBondContact O-N 2.75Å; I304-Y330 HydrophobicContact CG2-CD1 3.79Å; I304-Y330 HydrophobicContact CG2-CE1 4.05Å; I304-I334 HydrophobicContact CD1-CD1 3.65Å; I304-I334 HydrophobicContact CG1-CD1 4.27Å; I304-F353 PolarHBondContact N-O 2.79Å; I304-G354 CarbonylContact O-C 3.59Å; I304-G354 VanDerWaalsContact O-CA 3.24Å; I304-G354 WeakPolarHBondContact O-CA 3.34Å; I304-F355 VanDerWaalsContact C-CE1 3.44Å; I304-F355 VanDerWaalsContact O-CD1 3.31Å; I304-F355 WeakPolarHBondContact O-CD1 3.33Å; I304-F355 PolarHBondContact O-N 3.36Å; I304-I371 HydrophobicContact CD1-CD1 4.08Å; I304-Y390 HydrophobicContact CD1-CD2 3.66Å; I304-Y390 HydrophobicContact CD1-CE2 4.42Å; I304-Y390 HydrophobicContact CD1-CG 4.22Å; I304-Y390 HydrophobicContact CG2-CD2 4.11Å; I304-Y390 HydrophobicContact CG2-CE2 3.9Å
305D97.4Very high94.5Very high0 Ų028.5 Ų28.50%019%0.19CC..EExtended strand (participates in β ladder)trans-68.7126.2171.7-167.1-23.2000110.1T307 H320 Y330 F355 T403 I434 T435D305-T307 WeakPolarHBondContact OD1-CB 3.41Å; D305-T307 WeakPolarHBondContact OD1-CG2 3.45Å; D305-T307 PolarHBondContact OD1-N 3.28Å; D305-T307 PolarHBondContact OD1-OG1 2.93Å; D305-H320 PolarHBondContact O-CE1 2.96Å; D305-H320 PolarHBondContact O-NE2 2.68Å; D305-Y330 HydrophobicContact CB-CE1 4.24Å; D305-F355 VanDerWaalsContact CA-CZ 3.47Å; D305-F355 HydrophobicContact CB-CE1 4.14Å; D305-F355 HydrophobicContact CB-CE2 3.76Å; D305-F355 HydrophobicContact CB-CZ 3.47Å; D305-F355 VanDerWaalsContact CB-CZ 3.47Å; D305-T403 WeakPolarHBondContact OD2-CG2 3.47Å; D305-I434 WeakPolarHBondContact CB-O 3.29Å; D305-I434 PolarHBondContact N-O 3.14Å; D305-T435 WeakPolarHBondContact OD2-CB 3.29Å; D305-T435 PolarHBondContact OD2-OG1 2.69Å
306F97.4Very high94.6Very high0 Ų031.2 Ų31.20%020%0.201CC..  trans-120.533.7172.8-76.3-97000110.5I304 F355 A357 F369 I371 Y390 C393 L394 V397 L399 Y400I304-F306 HydrophobicContact CB-CD2 4.22Å; I304-F306 HydrophobicContact CB-CE2 3.77Å; I304-F306 HydrophobicContact CG2-CD2 4.04Å; I304-F306 HydrophobicContact CG2-CE2 3.67Å; I304-F306 HydrophobicContact CG2-CZ 4.26Å; I304-F306 WeakPolarHBondContact O-CD2 3.48Å; I304-F306 PolarHBondContact O-N 2.75Å; F306-F355 PolarHBondContact N-O 3.24Å; F306-A357 HydrophobicContact CB-CB 3.77Å; F306-F369 HydrophobicContact CB-CZ 4.44Å; F306-F369 AromaticContact CD2-CZ 3.95Å; F306-F369 HydrophobicContact CD2-CZ 3.95Å; F306-F369 HydrophobicContact CE2-CZ 4.37Å; F306-F369 HydrophobicContact CG-CZ 4.23Å; F306-I371 HydrophobicContact CE2-CG2 4Å; F306-I371 HydrophobicContact CZ-CG2 4.41Å; F306-Y390 HydrophobicContact CE1-CD2 4.37Å; F306-Y390 HydrophobicContact CE1-CE2 4.23Å; F306-Y390 HydrophobicContact CE2-CD2 4.44Å; F306-Y390 AromaticContact CZ-CD2 3.71Å; F306-Y390 HydrophobicContact CZ-CD2 3.71Å; F306-Y390 AromaticContact CZ-CE2 3.93Å; F306-Y390 HydrophobicContact CZ-CE2 3.93Å; F306-C393 HydrophobicContact CZ-CB 4.37Å; F306-L394 HydrophobicContact CD1-CD1 3.86Å; F306-L394 HydrophobicContact CE1-CB 4.19Å; F306-L394 HydrophobicContact CE1-CD1 3.62Å; F306-V397 HydrophobicContact CD1-CG2 3.75Å; F306-V397 HydrophobicContact CE1-CG2 4.15Å; F306-L399 HydrophobicContact CB-CD2 3.8Å; F306-L399 HydrophobicContact CD1-CD2 3.79Å; F306-L399 HydrophobicContact CG-CD2 4.28Å; F306-L399 WeakPolarHBondContact O-CA 3.5Å; F306-L399 WeakPolarHBondContact O-CB 3.45Å; F306-L399 VanDerWaalsContact O-CD2 3.27Å; F306-L399 WeakPolarHBondContact O-CD2 3.44Å; F306-Y400 PolarHBondContact O-N 2.99Å
307T96.4Very high94.6Very high2 Ų236 Ų361%0.01223%0.234CC..BIsolated β-bridgetrans-78.2157.5177.160.70000111.9D305 S309 N310 Y400 T403D305-T307 WeakPolarHBondContact OD1-CB 3.41Å; D305-T307 WeakPolarHBondContact OD1-CG2 3.45Å; D305-T307 PolarHBondContact OD1-N 3.28Å; D305-T307 PolarHBondContact OD1-OG1 2.93Å; T307-S309 PolarHBondContact O-N 3.13Å; T307-S309 PolarHBondContact OG1-OG 3.28Å; T307-N310 WeakPolarHBondContact O-CB 3.47Å; T307-N310 PolarHBondContact O-N 2.94Å; T307-N310 PolarHBondContact O-ND2 3.29Å; T307-N310 PolarHBondContact OG1-ND2 2.87Å; T307-Y400 CarbonylContact C-O 3.49Å; T307-Y400 WeakPolarHBondContact CA-O 3.27Å; T307-Y400 VanDerWaalsContact CB-O 3.26Å; T307-Y400 WeakPolarHBondContact CB-O 3.44Å; T307-T403 HydrophobicContact CG2-CG2 4.37Å; T307-T403 WeakPolarHBondContact CG2-OG1 3.5Å
308G94.3Very high94.8Very high39 Ų3933.3 Ų33.340%0.40222%0.222SC..G310 helixtrans-70.4-13.1-175.400000114.3N310 G311 Y400G308-N310 PolarHBondContact O-N 2.79Å; G308-G311 PolarHBondContact O-N 2.85Å; G308-G311 VanDerWaalsContact O-N 3.13Å; G308-Y400 PolarHBondContact N-O 3.2Å
309S93.9Very high95Very high73 Ų7335.1 Ų35.151%0.5123%0.232SC..G310 helixtrans-59-27.9170.942.30000112.1T307 G311 D436T307-S309 PolarHBondContact O-N 3.13Å; T307-S309 PolarHBondContact OG1-OG 3.28Å; S309-G311 PolarHBondContact O-N 3.27Å; S309-G311 VanDerWaalsContact O-N 3.14Å; S309-D436 WeakPolarHBondContact CB-OD2 3.16Å; S309-D436 VanDerWaalsContact OG-CG 3.3Å; S309-D436 PolarHBondContact OG-OD1 3.11Å; S309-D436 PolarHBondContact OG-OD2 2.91Å
310N95.4Very high95.2Very high4 Ų433.5 Ų33.52%0.02122%0.223CC..G310 helixtrans-67.3-11176.6-69.6-80.8000114.5T307 G308 S318 L319 H320 Y330 L399 D436T307-N310 WeakPolarHBondContact O-CB 3.47Å; T307-N310 PolarHBondContact O-N 2.94Å; T307-N310 PolarHBondContact O-ND2 3.29Å; T307-N310 PolarHBondContact OG1-ND2 2.87Å; G308-N310 PolarHBondContact O-N 2.79Å; N310-S318 WeakPolarHBondContact O-CA 3.48Å; N310-S318 WeakPolarHBondContact O-CB 3.47Å; N310-S318 PolarHBondContact O-OG 2.76Å; N310-L319 HydrophobicContact CB-CB 4.42Å; N310-L319 PolarHBondContact O-N 3.07Å; N310-H320 VanDerWaalsContact CB-CD2 3.41Å; N310-H320 WeakPolarHBondContact CB-CD2 3.14Å; N310-Y330 PolarHBondContact ND2-OH 3.41Å; N310-Y330 WeakPolarHBondContact OD1-CE2 3.47Å; N310-Y330 PolarHBondContact OD1-OH 3.34Å; N310-L399 HydrophobicContact CB-CD1 4.23Å; N310-D436 PolarHBondContact N-OD2 2.93Å; N310-D436 VanDerWaalsContact N-OD2 3.11Å; N310-D436 VanDerWaalsContact ND2-CG 3.25Å; N310-D436 PolarHBondContact ND2-OD1 3.12Å; N310-D436 VanDerWaalsContact OD1-CB 3.25Å; N310-D436 WeakPolarHBondContact OD1-CB 3.34Å
311G94.4Very high95.3Very high30 Ų3036.5 Ų36.531%0.30924%0.235SC..  trans73.6170-17700000114.1G308 S309 P313 S318 L399G308-G311 PolarHBondContact O-N 2.85Å; G308-G311 VanDerWaalsContact O-N 3.13Å; S309-G311 PolarHBondContact O-N 3.27Å; S309-G311 VanDerWaalsContact O-N 3.14Å; G311-P313 WeakPolarHBondContact O-CD 3.28Å; G311-S318 PolarHBondContact O-OG 2.9Å; G311-S318 VanDerWaalsContact O-OG 3.07Å; G311-L399 WeakPolarHBondContact O-CD1 3.4Å
312D93.9Very high95Very high90 Ų9039.2 Ų39.248%0.48125%0.249SC..  trans-63.5118-177.6-175.5-31.6000111.5S314 L315 S318D312-S314 VanDerWaalsContact CG-OG 3.24Å; D312-S314 PolarHBondContact O-N 3.02Å; D312-S314 WeakPolarHBondContact OD1-CB 3.33Å; D312-S314 PolarHBondContact OD1-N 2.61Å; D312-S314 PolarHBondContact OD1-OG 2.65Å; D312-S314 PolarHBondContact OD2-OG 2.81Å; D312-L315 HydrophobicContact CB-CD1 3.93Å; D312-L315 HydrophobicContact CB-CG 3.99Å; D312-L315 WeakPolarHBondContact O-CB 3.41Å; D312-L315 PolarHBondContact O-N 3.43Å; D312-S318 WeakPolarHBondContact O-CB 3.3Å
313P94.3Very high94.4Very high34 Ų3442 Ų4222%0.22126%0.263CS..THydrogen-bonded Turntrans-57.6-18.8-177.8-26.735.7000115.6G311 L315 H320 L394 L399G311-P313 WeakPolarHBondContact O-CD 3.28Å; P313-L315 VanDerWaalsContact C-N 3.28Å; P313-H320 HydrophobicContact CB-CB 4.26Å; P313-H320 HydrophobicContact CG-CB 4.25Å; P313-L394 HydrophobicContact CB-CD1 4.11Å; P313-L394 HydrophobicContact CB-CD2 4Å; P313-L394 HydrophobicContact CB-CG 3.96Å; P313-L394 HydrophobicContact CG-CD1 3.75Å; P313-L394 HydrophobicContact CG-CG 4.11Å; P313-L399 HydrophobicContact CG-CD1 3.76Å; P313-L399 HydrophobicContact CG-CG 4.16Å
314S91.6Very high93.5Very high82 Ų8247 Ų4757%0.57330%0.296SS*.THydrogen-bonded Turntrans-77.2-16.4175.870.10000113.4D312D312-S314 VanDerWaalsContact CG-OG 3.24Å; D312-S314 PolarHBondContact O-N 3.02Å; D312-S314 WeakPolarHBondContact OD1-CB 3.33Å; D312-S314 PolarHBondContact OD1-N 2.61Å; D312-S314 PolarHBondContact OD1-OG 2.65Å; D312-S314 PolarHBondContact OD2-OG 2.81Å
315L94.2Very high92.4Very high85 Ų8555 Ų5545%0.44533%0.334SS..SBendtrans-94.5135.5-178.3-60.3-179.4000111.4D312 P313 S317 S318 Y321D312-L315 HydrophobicContact CB-CD1 3.93Å; D312-L315 HydrophobicContact CB-CG 3.99Å; D312-L315 WeakPolarHBondContact O-CB 3.41Å; D312-L315 PolarHBondContact O-N 3.43Å; P313-L315 VanDerWaalsContact C-N 3.28Å; L315-S317 PolarHBondContact O-N 3.11Å; L315-S318 WeakPolarHBondContact O-CB 3.35Å; L315-S318 PolarHBondContact O-N 2.94Å; L315-Y321 WeakPolarHBondContact O-CB 3.34Å; L315-Y321 WeakPolarHBondContact O-CD2 3.22Å
316P92.3Very high91.4Very high98 Ų9856.6 Ų56.664%0.63635%0.349SS*.THydrogen-bonded Turntrans-58.5-17.4176.2-27.135.2000115.7S318 Y321P316-S318 VanDerWaalsContact C-N 3.34Å; P316-Y321 HydrophobicContact CB-CD1 4.39Å; P316-Y321 HydrophobicContact CB-CE1 4.24Å; P316-Y321 HydrophobicContact CG-CE1 4.42Å; P316-Y321 HydrophobicContact CG-CE2 4.08Å
317S92.6Very high90.7Very high107 Ų10763.4 Ų63.475%0.74838%0.376SS*.THydrogen-bonded Turntrans-82.2-9.4175.857.50000113.9L315L315-S317 PolarHBondContact O-N 3.11Å
318S95.3Very high90.5Very high9 Ų964.2 Ų64.26%0.06338%0.38CS..SBendtrans-75.8143177.3173.30000111.6N310 G311 D312 L315 P316 H320 Y321N310-S318 WeakPolarHBondContact O-CA 3.48Å; N310-S318 WeakPolarHBondContact O-CB 3.47Å; N310-S318 PolarHBondContact O-OG 2.76Å; G311-S318 PolarHBondContact O-OG 2.9Å; G311-S318 VanDerWaalsContact O-OG 3.07Å; D312-S318 WeakPolarHBondContact O-CB 3.3Å; L315-S318 WeakPolarHBondContact O-CB 3.35Å; L315-S318 PolarHBondContact O-N 2.94Å; P316-S318 VanDerWaalsContact C-N 3.34Å; S318-H320 PolarHBondContact O-N 3.14Å; S318-H320 PolarHBondContact OG-N 2.81Å; S318-Y321 VanDerWaalsContact O-CB 3.27Å; S318-Y321 WeakPolarHBondContact O-CB 3.13Å; S318-Y321 PolarHBondContact O-N 3.48Å; S318-Y321 VanDerWaalsContact O-N 3.15Å
319L95.4Very high90.5Very high43 Ų4364 Ų6423%0.22537%0.369CS..THydrogen-bonded Turntrans-68.3-20.4172.7-62.9174.3000112.3N310 N328 Y330 D436 V464N310-L319 HydrophobicContact CB-CB 4.42Å; N310-L319 PolarHBondContact O-N 3.07Å; L319-N328 WeakPolarHBondContact O-CB 3.36Å; L319-Y330 HydrophobicContact CB-CD2 4.44Å; L319-Y330 HydrophobicContact CB-CE2 3.9Å; L319-D436 HydrophobicContact CD1-CB 3.28Å; L319-V464 HydrophobicContact CD1-CG2 4.39Å
320H96.6Very high90.5Very high0 Ų060.5 Ų60.50%035%0.345CS..THydrogen-bonded Turntrans-91.3-0.7173.5-73.2-54.2000114.1D305 N310 P313 S318 I322 N328 Y330 Y390 L394D305-H320 PolarHBondContact O-CE1 2.96Å; D305-H320 PolarHBondContact O-NE2 2.68Å; N310-H320 VanDerWaalsContact CB-CD2 3.41Å; N310-H320 WeakPolarHBondContact CB-CD2 3.14Å; P313-H320 HydrophobicContact CB-CB 4.26Å; P313-H320 HydrophobicContact CG-CB 4.25Å; S318-H320 PolarHBondContact O-N 3.14Å; S318-H320 PolarHBondContact OG-N 2.81Å; H320-I322 PolarHBondContact O-N 3.47Å; H320-I322 VanDerWaalsContact O-N 3.13Å; H320-N328 PolarHBondContact O-ND2 3.45Å; H320-Y330 AromaticContact CE1-CD2 3.7Å; H320-Y330 AromaticContact CE1-CE1 3.93Å; H320-Y330 AromaticContact CE1-CE2 3.44Å; H320-Y330 VanDerWaalsContact CE1-CE2 3.44Å; H320-Y330 WeakPolarHBondContact CE1-CE2 3.23Å; H320-Y330 AromaticContact CE1-CZ 3.58Å; H320-Y330 AromaticContact ND1-CD2 3.56Å; H320-Y330 AromaticContact ND1-CE2 3.65Å; H320-Y390 AromaticContact ND1-CE2 3.8Å; H320-Y390 AromaticContact ND1-CZ 3.72Å; H320-Y390 PolarHBondContact ND1-OH 3.15Å; H320-L394 HydrophobicContact CB-CD1 3.79Å; H320-L394 HydrophobicContact CB-CD2 3.91Å; H320-L394 HydrophobicContact CB-CG 4.48Å; H320-L394 VanDerWaalsContact O-CD2 3.3Å; H320-L394 WeakPolarHBondContact O-CD2 3.21Å
321Y95.3Very high90.5Very high66 Ų6660.5 Ų60.526%0.25934%0.344SS..  trans-54.2122.7-177.3-179.8-111.1000111.4L315 P316 S318 N323 N328L315-Y321 WeakPolarHBondContact O-CB 3.34Å; L315-Y321 WeakPolarHBondContact O-CD2 3.22Å; P316-Y321 HydrophobicContact CB-CD1 4.39Å; P316-Y321 HydrophobicContact CB-CE1 4.24Å; P316-Y321 HydrophobicContact CG-CE1 4.42Å; P316-Y321 HydrophobicContact CG-CE2 4.08Å; S318-Y321 VanDerWaalsContact O-CB 3.27Å; S318-Y321 WeakPolarHBondContact O-CB 3.13Å; S318-Y321 PolarHBondContact O-N 3.48Å; S318-Y321 VanDerWaalsContact O-N 3.15Å; Y321-N323 HydrophobicContact CD1-CB 3.96Å; Y321-N323 HydrophobicContact CE1-CB 3.82Å; Y321-N323 PolarHBondContact O-N 3.38Å; Y321-N328 WeakPolarHBondContact O-CB 3.35Å; Y321-N328 PolarHBondContact O-ND2 3.14Å
322I90.5Very high90.3Very high61 Ų6160.4 Ų60.431%0.31334%0.341SS..  trans-87.191.5178.2-54.8-62000108H320 P324 L331 Y390 Q391 L394H320-I322 PolarHBondContact O-N 3.47Å; H320-I322 VanDerWaalsContact O-N 3.13Å; I322-P324 WeakPolarHBondContact O-CD 3.33Å; I322-L331 HydrophobicContact CD1-CD1 4.12Å; I322-Y390 HydrophobicContact CD1-CE1 3.76Å; I322-Q391 HydrophobicContact CD1-CG 4.3Å; I322-L394 HydrophobicContact CD1-CD2 3.9Å; I322-L394 HydrophobicContact CG1-CD2 3.78Å
323N84.1Confident90.3Very high58 Ų5856.1 Ų56.131%0.3132%0.318SS..  trans-72.9126.5179.9-177.2-4.8000111Y321 Q325 G326Y321-N323 HydrophobicContact CD1-CB 3.96Å; Y321-N323 HydrophobicContact CE1-CB 3.82Å; Y321-N323 PolarHBondContact O-N 3.38Å; N323-Q325 PolarHBondContact O-N 3.34Å; N323-Q325 PolarHBondContact OD1-N 3.2Å; N323-Q325 PolarHBondContact OD1-OE1 2.88Å; N323-G326 PolarHBondContact O-N 2.8Å
324P79.9Confident90.2Very high106 Ų10654.5 Ų54.569%0.68831%0.308SS*.THydrogen-bonded Turntrans-60.8-22.3173.8-23.834.4000114.7I322I322-P324 WeakPolarHBondContact O-CD 3.33Å
325Q75.1Confident90.2Very high169 Ų16954.9 Ų54.979%0.7930%0.297SS*.THydrogen-bonded Turntrans-104.20.3-177.1-62.296.216.400114.5N323N323-Q325 PolarHBondContact O-N 3.34Å; N323-Q325 PolarHBondContact OD1-N 3.2Å; N323-Q325 PolarHBondContact OD1-OE1 2.88Å
326G76.9Confident90Very high32 Ų3251.8 Ų51.833%0.3328%0.283SS..SBendtrans-175.1176.9-177.100000114.7N323N323-G326 PolarHBondContact O-N 2.8Å
327Y82.8Confident89.8Confident144 Ų14447.1 Ų47.157%0.56525%0.253SS*.  trans-91.2141.1177.7-60.8-68.5000110.7L331Y327-L331 HydrophobicContact CD1-CB 3.81Å; Y327-L331 HydrophobicContact CD1-CD1 3.99Å; Y327-L331 HydrophobicContact CD1-CG 4.45Å; Y327-L331 HydrophobicContact CG-CB 4.26Å
328N92.3Very high89.7Confident18 Ų1842 Ų4210%0.09622%0.217CC..  trans-75.2171.3161.559.341.5000110.6L319 H320 Y321 Y330 L331 A332L319-N328 WeakPolarHBondContact O-CB 3.36Å; H320-N328 PolarHBondContact O-ND2 3.45Å; Y321-N328 WeakPolarHBondContact O-CB 3.35Å; Y321-N328 PolarHBondContact O-ND2 3.14Å; N328-Y330 VanDerWaalsContact C-N 3.29Å; N328-Y330 PolarHBondContact O-N 3.16Å; N328-Y330 PolarHBondContact OD1-N 2.92Å; N328-L331 PolarHBondContact O-N 3.22Å; N328-L331 WeakPolarHBondContact OD1-CB 3.17Å; N328-L331 WeakPolarHBondContact OD1-CG 3.43Å; N328-L331 PolarHBondContact OD1-N 3.25Å; N328-A332 WeakPolarHBondContact O-CB 3.27Å; N328-A332 PolarHBondContact O-N 3.48Å
329E93.3Very high89.4Confident35 Ų3543.3 Ų43.316%0.16422%0.223CC..Hα-helixtrans-63.1-34.2-174.6-59.1-165.4173.400112.8A332 A333 V464 G465 F500 Q504E329-A332 PolarHBondContact O-N 3.3Å; E329-A333 WeakPolarHBondContact O-CB 3.31Å; E329-A333 PolarHBondContact O-N 2.65Å; E329-V464 HydrophobicContact CB-CB 3.84Å; E329-V464 HydrophobicContact CB-CG1 3.65Å; E329-V464 WeakPolarHBondContact OE2-CA 3.25Å; E329-V464 WeakPolarHBondContact OE2-CB 3.35Å; E329-G465 PolarHBondContact OE2-N 3.22Å; E329-F500 HydrophobicContact CB-CD1 3.9Å; E329-F500 HydrophobicContact CB-CE1 3.95Å; E329-F500 HydrophobicContact CB-CG 4.32Å; E329-F500 HydrophobicContact CB-CZ 4.38Å; E329-F500 VanDerWaalsContact CD-CD1 3.48Å; E329-F500 HydrophobicContact CG-CD1 3.75Å; E329-F500 HydrophobicContact CG-CE1 3.66Å; E329-F500 HydrophobicContact CG-CZ 4.46Å; E329-F500 WeakPolarHBondContact OE2-CD1 3.18Å; E329-Q504 PolarHBondContact OE1-NE2 2.83Å
330Y95.5Very high89.1Confident0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-60.4-51.7173-75-86000111.8I304 D305 N310 L319 H320 N328 A332 A333 I334 I434 D436 V464I304-Y330 HydrophobicContact CG2-CD1 3.79Å; I304-Y330 HydrophobicContact CG2-CE1 4.05Å; D305-Y330 HydrophobicContact CB-CE1 4.24Å; N310-Y330 PolarHBondContact ND2-OH 3.41Å; N310-Y330 WeakPolarHBondContact OD1-CE2 3.47Å; N310-Y330 PolarHBondContact OD1-OH 3.34Å; L319-Y330 HydrophobicContact CB-CD2 4.44Å; L319-Y330 HydrophobicContact CB-CE2 3.9Å; H320-Y330 AromaticContact CE1-CD2 3.7Å; H320-Y330 AromaticContact CE1-CE1 3.93Å; H320-Y330 AromaticContact CE1-CE2 3.44Å; H320-Y330 VanDerWaalsContact CE1-CE2 3.44Å; H320-Y330 WeakPolarHBondContact CE1-CE2 3.23Å; H320-Y330 AromaticContact CE1-CZ 3.58Å; H320-Y330 AromaticContact ND1-CD2 3.56Å; H320-Y330 AromaticContact ND1-CE2 3.65Å; N328-Y330 VanDerWaalsContact C-N 3.29Å; N328-Y330 PolarHBondContact O-N 3.16Å; N328-Y330 PolarHBondContact OD1-N 2.92Å; Y330-A332 VanDerWaalsContact C-N 3.32Å; Y330-A332 PolarHBondContact O-N 2.76Å; Y330-A333 PolarHBondContact O-N 2.83Å; Y330-I334 VanDerWaalsContact O-CG1 3.26Å; Y330-I334 WeakPolarHBondContact O-CG1 3.31Å; Y330-I334 PolarHBondContact O-N 2.91Å; Y330-I434 HydrophobicContact CD1-CB 3.86Å; Y330-I434 HydrophobicContact CD1-CG2 3.35Å; Y330-I434 HydrophobicContact CE1-CB 4.03Å; Y330-I434 HydrophobicContact CE1-CG2 3.61Å; Y330-I434 HydrophobicContact CG-CG2 4.21Å; Y330-D436 PolarHBondContact OH-N 3.22Å; Y330-V464 HydrophobicContact CD2-CG2 4.1Å; Y330-V464 HydrophobicContact CE1-CG2 4.06Å; Y330-V464 HydrophobicContact CE2-CG2 3.53Å; Y330-V464 VanDerWaalsContact CZ-CG2 3.49Å
331L93.4Very high88.6Confident3 Ų341.9 Ų41.92%0.01622%0.216CC..Hα-helixtrans-62.7-40.4178.7-75.4173.2000111.8I322 Y327 N328 I334 W335 I387 Y390I322-L331 HydrophobicContact CD1-CD1 4.12Å; Y327-L331 HydrophobicContact CD1-CB 3.81Å; Y327-L331 HydrophobicContact CD1-CD1 3.99Å; Y327-L331 HydrophobicContact CD1-CG 4.45Å; Y327-L331 HydrophobicContact CG-CB 4.26Å; N328-L331 PolarHBondContact O-N 3.22Å; N328-L331 WeakPolarHBondContact OD1-CB 3.17Å; N328-L331 WeakPolarHBondContact OD1-CG 3.43Å; N328-L331 PolarHBondContact OD1-N 3.25Å; L331-I334 PolarHBondContact O-N 3.17Å; L331-W335 VanDerWaalsContact O-CB 3.27Å; L331-W335 WeakPolarHBondContact O-CB 3.31Å; L331-W335 PolarHBondContact O-N 2.79Å; L331-I387 HydrophobicContact CD2-CB 4.29Å; L331-I387 HydrophobicContact CD2-CD1 4.43Å; L331-I387 HydrophobicContact CD2-CG1 3.89Å; L331-I387 HydrophobicContact CD2-CG2 3.88Å; L331-Y390 HydrophobicContact CD1-CE1 4.19Å; L331-Y390 HydrophobicContact CD2-CD1 3.55Å; L331-Y390 HydrophobicContact CD2-CE1 3.78Å; L331-Y390 HydrophobicContact CG-CD1 4.06Å; L331-Y390 HydrophobicContact CG-CE1 3.73Å
332A91.6Very high88.4Confident29 Ų2940 Ų4024%0.2421%0.21CC..Hα-helixtrans-63.2-42.5176.900000111.8N328 E329 Y330 W335 A336 F500N328-A332 WeakPolarHBondContact O-CB 3.27Å; N328-A332 PolarHBondContact O-N 3.48Å; E329-A332 PolarHBondContact O-N 3.3Å; Y330-A332 VanDerWaalsContact C-N 3.32Å; Y330-A332 PolarHBondContact O-N 2.76Å; A332-W335 PolarHBondContact O-N 2.95Å; A332-A336 WeakPolarHBondContact O-CB 3.43Å; A332-A336 PolarHBondContact O-N 3.37Å; A332-F500 HydrophobicContact CB-CE2 3.76Å; A332-F500 HydrophobicContact CB-CZ 3.58Å
333A92.7Very high88.3Confident0 Ų037.7 Ų37.70%020%0.198CC..Hα-helixtrans-65.8-47176.300000112.3E329 Y330 W335 A336 V337 I434 V462 F500E329-A333 WeakPolarHBondContact O-CB 3.31Å; E329-A333 PolarHBondContact O-N 2.65Å; Y330-A333 PolarHBondContact O-N 2.83Å; A333-W335 VanDerWaalsContact C-N 3.3Å; A333-W335 PolarHBondContact O-N 3.05Å; A333-A336 PolarHBondContact O-N 2.92Å; A333-V337 WeakPolarHBondContact O-CG2 3.24Å; A333-V337 PolarHBondContact O-N 3.46Å; A333-I434 HydrophobicContact CB-CD1 3.99Å; A333-I434 HydrophobicContact CB-CG2 4.35Å; A333-V462 HydrophobicContact CB-CG1 3.96Å; A333-F500 HydrophobicContact CB-CD2 4.23Å; A333-F500 HydrophobicContact CB-CE2 4.41Å
334I93.7Very high88.4Confident0 Ų035.4 Ų35.40%019%0.185CC..Hα-helixtrans-56.4-46.7175.4-68166.5000110.2I302 I304 Y330 L331 G338 I383 V386 I387 I434I302-I334 HydrophobicContact CG2-CG1 4.4Å; I304-I334 HydrophobicContact CD1-CD1 3.65Å; I304-I334 HydrophobicContact CG1-CD1 4.27Å; Y330-I334 VanDerWaalsContact O-CG1 3.26Å; Y330-I334 WeakPolarHBondContact O-CG1 3.31Å; Y330-I334 PolarHBondContact O-N 2.91Å; L331-I334 PolarHBondContact O-N 3.17Å; I334-G338 WeakPolarHBondContact O-CA 3.45Å; I334-G338 PolarHBondContact O-N 2.87Å; I334-I383 HydrophobicContact CG2-CG2 4Å; I334-V386 HydrophobicContact CG2-CG1 4.07Å; I334-I387 HydrophobicContact CG2-CG1 4.18Å; I334-I434 HydrophobicContact CD1-CD1 4.24Å; I334-I434 HydrophobicContact CG1-CD1 3.41Å; I334-I434 VanDerWaalsContact CG1-CD1 3.41Å
335W90.9Very high88.6Confident90 Ų9030.9 Ų30.934%0.34116%0.155SC..Hα-helixtrans-68-45.1-178.8-168.3-100.7000112.5L331 A332 A333 N339 I383 E384 I387L331-W335 VanDerWaalsContact O-CB 3.27Å; L331-W335 WeakPolarHBondContact O-CB 3.31Å; L331-W335 PolarHBondContact O-N 2.79Å; A332-W335 PolarHBondContact O-N 2.95Å; A333-W335 VanDerWaalsContact C-N 3.3Å; A333-W335 PolarHBondContact O-N 3.05Å; W335-N339 VanDerWaalsContact CD2-ND2 3.27Å; W335-N339 VanDerWaalsContact CG-ND2 3.35Å; W335-N339 PolarHBondContact NE1-ND2 3.22Å; W335-N339 VanDerWaalsContact O-CB 3.27Å; W335-N339 WeakPolarHBondContact O-CB 3.34Å; W335-N339 VanDerWaalsContact O-CG 3.32Å; W335-N339 PolarHBondContact O-N 2.68Å; W335-N339 VanDerWaalsContact O-N 3.08Å; W335-N339 PolarHBondContact O-ND2 3.39Å; W335-I383 HydrophobicContact CE3-CG2 3.94Å; W335-I383 HydrophobicContact CZ3-CG2 4.45Å; W335-E384 HydrophobicContact CH2-CG 4.41Å; W335-E384 HydrophobicContact CZ3-CG 4.21Å; W335-I387 HydrophobicContact CD2-CD1 4.26Å; W335-I387 HydrophobicContact CE3-CD1 3.25Å; W335-I387 HydrophobicContact CZ3-CD1 3.7Å
336A88.9Confident88.8Confident19 Ų1927 Ų2716%0.15715%0.146CC..Hα-helixtrans-63.9-49.9-17700000111.7A332 A333 L511 A512A332-A336 WeakPolarHBondContact O-CB 3.43Å; A332-A336 PolarHBondContact O-N 3.37Å; A333-A336 PolarHBondContact O-N 2.92Å; A336-L511 HydrophobicContact CB-CB 4.48Å; A336-L511 HydrophobicContact CB-CD2 3.86Å; A336-L511 HydrophobicContact CB-CG 4.4Å; A336-A512 WeakPolarHBondContact O-CB 3.37Å
337V89.6Confident89.2Confident0 Ų030.1 Ų30.10%016%0.156CC..Hα-helixtrans-73.6-48.2-179.3-176.40000110F300 A333 N339 V340 I341 L432 V515 L516F300-V337 HydrophobicContact CE2-CG1 4.3Å; F300-V337 HydrophobicContact CZ-CG1 3.69Å; A333-V337 WeakPolarHBondContact O-CG2 3.24Å; A333-V337 PolarHBondContact O-N 3.46Å; V337-N339 VanDerWaalsContact C-N 3.29Å; V337-N339 PolarHBondContact O-N 3.07Å; V337-V340 PolarHBondContact O-N 2.9Å; V337-V340 VanDerWaalsContact O-N 3.12Å; V337-I341 HydrophobicContact CG1-CG2 4.3Å; V337-I341 WeakPolarHBondContact O-CG1 3.49Å; V337-I341 PolarHBondContact O-N 3.33Å; V337-L432 HydrophobicContact CB-CD2 4.12Å; V337-L432 HydrophobicContact CG1-CD2 4.14Å; V337-L432 HydrophobicContact CG2-CD2 4.47Å; V337-V515 HydrophobicContact CG1-CG1 4.04Å; V337-V515 HydrophobicContact CG2-CB 4.16Å; V337-V515 HydrophobicContact CG2-CG1 3.62Å; V337-V515 HydrophobicContact CG2-CG2 4.27Å; V337-L516 HydrophobicContact CG1-CD2 4.16Å
338G90.1Very high89.6Confident1 Ų126 Ų261%0.0114%0.141CC..Hα-helixtrans-53.5-41.9-178.100000114I334 V340 I341 Q342 I383I334-G338 WeakPolarHBondContact O-CA 3.45Å; I334-G338 PolarHBondContact O-N 2.87Å; G338-V340 VanDerWaalsContact C-N 3.26Å; G338-V340 PolarHBondContact O-N 3.42Å; G338-I341 WeakPolarHBondContact O-CG1 3.43Å; G338-Q342 VanDerWaalsContact O-CB 3.31Å; G338-Q342 WeakPolarHBondContact O-CB 3.5Å; G338-Q342 WeakPolarHBondContact O-CG 3.42Å; G338-Q342 PolarHBondContact O-N 3.42Å; G338-Q342 VanDerWaalsContact O-N 3.14Å; G338-I383 VanDerWaalsContact C-CG1 3.5Å; G338-I383 WeakPolarHBondContact O-CG1 3.49Å
339N88.3Confident89.6Confident35 Ų3527.9 Ų27.919%0.18715%0.15CC..Hα-helixtrans-66.6-26-177.9-84.6-47.3000114.6V81 W335 V337 Q342V81-N339 HydrophobicContact CG2-CB 4.39Å; V81-N339 WeakPolarHBondContact CG2-O 3.1Å; W335-N339 VanDerWaalsContact CD2-ND2 3.27Å; W335-N339 VanDerWaalsContact CG-ND2 3.35Å; W335-N339 PolarHBondContact NE1-ND2 3.22Å; W335-N339 VanDerWaalsContact O-CB 3.27Å; W335-N339 WeakPolarHBondContact O-CB 3.34Å; W335-N339 VanDerWaalsContact O-CG 3.32Å; W335-N339 PolarHBondContact O-N 2.68Å; W335-N339 VanDerWaalsContact O-N 3.08Å; W335-N339 PolarHBondContact O-ND2 3.39Å; V337-N339 VanDerWaalsContact C-N 3.29Å; V337-N339 PolarHBondContact O-N 3.07Å; N339-Q342 PolarHBondContact OD1-NE2 2.85Å
340V89.1Confident89.7Confident8 Ų826.2 Ų26.25%0.04814%0.142CC..Hα-helixtrans-82.7-51.5177.8178.20000110.3F78 V81 V337 G338 Q342 Y344 A512 L516F78-V340 WeakPolarHBondContact O-CG1 3.37Å; V81-V340 HydrophobicContact CG2-CG2 3.85Å; V337-V340 PolarHBondContact O-N 2.9Å; V337-V340 VanDerWaalsContact O-N 3.12Å; G338-V340 VanDerWaalsContact C-N 3.26Å; G338-V340 PolarHBondContact O-N 3.42Å; V340-Q342 VanDerWaalsContact C-N 3.26Å; V340-Q342 PolarHBondContact O-N 2.92Å; V340-Y344 WeakPolarHBondContact O-CD2 3.44Å; V340-Y344 WeakPolarHBondContact O-CE2 3.38Å; V340-A512 HydrophobicContact CG2-CB 3.84Å; V340-L516 HydrophobicContact CB-CD1 3.59Å; V340-L516 HydrophobicContact CG1-CD1 3.43Å; V340-L516 VanDerWaalsContact CG1-CD1 3.43Å; V340-L516 HydrophobicContact CG2-CD1 4.2Å
341I87.4Confident89.8Confident6 Ų626.9 Ų26.93%0.03115%0.146CC..Hα-helixtrans-66.5-27.1-173.459.7169.3000113.5F300 V337 G338 D343 Y344 L516F300-I341 HydrophobicContact CB-CD1 3.75Å; F300-I341 HydrophobicContact CD1-CD1 3.04Å; F300-I341 HydrophobicContact CD1-CG1 4.5Å; F300-I341 HydrophobicContact CD2-CB 4.21Å; F300-I341 HydrophobicContact CD2-CD1 3.33Å; F300-I341 HydrophobicContact CD2-CG1 4.35Å; F300-I341 HydrophobicContact CD2-CG2 4.06Å; F300-I341 HydrophobicContact CE1-CD1 3.16Å; F300-I341 HydrophobicContact CE2-CB 4.43Å; F300-I341 HydrophobicContact CE2-CD1 3.49Å; F300-I341 VanDerWaalsContact CE2-CD1 3.49Å; F300-I341 HydrophobicContact CE2-CG2 3.86Å; F300-I341 HydrophobicContact CG-CD1 3.1Å; F300-I341 HydrophobicContact CG-CG1 4.35Å; F300-I341 HydrophobicContact CZ-CD1 3.39Å; F300-I341 HydrophobicContact CZ-CG2 4.46Å; V337-I341 HydrophobicContact CG1-CG2 4.3Å; V337-I341 WeakPolarHBondContact O-CG1 3.49Å; V337-I341 PolarHBondContact O-N 3.33Å; G338-I341 WeakPolarHBondContact O-CG1 3.43Å; I341-D343 PolarHBondContact O-N 3.39Å; I341-Y344 PolarHBondContact O-N 2.68Å; I341-L516 HydrophobicContact CG2-CD1 4.11Å; I341-L516 HydrophobicContact CG2-CD2 3.79Å
342Q89.4Confident90Very high26 Ų2626.8 Ų26.812%0.12115%0.146CC..THydrogen-bonded Turntrans-66.7-14.1-171.163.5161.6-64.200113.1G338 N339 V340 Y344 K348 F350 I383G338-Q342 VanDerWaalsContact O-CB 3.31Å; G338-Q342 WeakPolarHBondContact O-CB 3.5Å; G338-Q342 WeakPolarHBondContact O-CG 3.42Å; G338-Q342 PolarHBondContact O-N 3.42Å; G338-Q342 VanDerWaalsContact O-N 3.14Å; N339-Q342 PolarHBondContact OD1-NE2 2.85Å; V340-Q342 VanDerWaalsContact C-N 3.26Å; V340-Q342 PolarHBondContact O-N 2.92Å; Q342-Y344 VanDerWaalsContact C-N 3.32Å; Q342-K348 PolarHBondContact O-NZ 3.17Å; Q342-F350 HydrophobicContact CB-CE2 4.1Å; Q342-F350 HydrophobicContact CB-CZ 3.66Å; Q342-I383 HydrophobicContact CB-CG1 4.37Å
343D88.9Confident90.3Very high12 Ų1225.7 Ų25.76%0.06414%0.136CC..THydrogen-bonded Turntrans-83.2-12.3176.8-71.9-20.5000113.1T110 Q113 S116 I341 K348T110-D343 VanDerWaalsContact CB-OD2 3.27Å; T110-D343 WeakPolarHBondContact CB-OD2 3.13Å; T110-D343 WeakPolarHBondContact CG2-OD2 3.4Å; T110-D343 PolarHBondContact OG1-OD2 2.81Å; Q113-D343 HydrophobicContact CG-CB 4.23Å; Q113-D343 WeakPolarHBondContact CG-OD1 3.13Å; S116-D343 WeakPolarHBondContact CB-O 3.48Å; S116-D343 PolarHBondContact OG-O 3.46Å; I341-D343 PolarHBondContact O-N 3.39Å; D343-K348 IonicContact OD1-NZ 3.4Å; D343-K348 PolarHBondContact OD1-NZ 2.85Å
344Y86.6Confident90.6Very high10 Ų1025.8 Ų25.84%0.03914%0.136CC..SBendtrans-104.2-1178.2-53.6-83.2000113Y76 F78 V115 F288 I292 I298 V340 I341 Q342Y76-Y344 WeakPolarHBondContact CE2-OH 3.27Å; Y76-Y344 WeakPolarHBondContact OH-CE1 3.41Å; Y76-Y344 VanDerWaalsContact OH-CZ 3.23Å; Y76-Y344 PolarHBondContact OH-OH 3.11Å; F78-Y344 HydrophobicContact CD2-CD2 4.32Å; F78-Y344 HydrophobicContact CD2-CE1 4.05Å; F78-Y344 AromaticContact CD2-CE2 3.7Å; F78-Y344 HydrophobicContact CD2-CE2 3.7Å; F78-Y344 AromaticContact CD2-CZ 3.54Å; F78-Y344 HydrophobicContact CE2-CD1 4.36Å; F78-Y344 AromaticContact CE2-CD2 3.72Å; F78-Y344 HydrophobicContact CE2-CD2 3.72Å; F78-Y344 HydrophobicContact CE2-CE1 4.22Å; F78-Y344 AromaticContact CE2-CE2 3.53Å; F78-Y344 HydrophobicContact CE2-CE2 3.53Å; F78-Y344 HydrophobicContact CE2-CG 4.13Å; F78-Y344 AromaticContact CE2-CZ 3.8Å; F78-Y344 PolarHBondContact O-OH 2.82Å; V115-Y344 HydrophobicContact CG2-CE1 4.13Å; F288-Y344 HydrophobicContact CE1-CE1 4.5Å; I292-Y344 HydrophobicContact CD1-CD1 4.37Å; I292-Y344 HydrophobicContact CG1-CD1 4.43Å; I292-Y344 HydrophobicContact CG2-CD1 4.02Å; I292-Y344 HydrophobicContact CG2-CE1 4.47Å; I298-Y344 PolarHBondContact N-O 3.29Å; V340-Y344 WeakPolarHBondContact O-CD2 3.44Å; V340-Y344 WeakPolarHBondContact O-CE2 3.38Å; I341-Y344 PolarHBondContact O-N 2.68Å; Q342-Y344 VanDerWaalsContact C-N 3.32Å
345D84.4Confident90.7Very high12 Ų1225.9 Ų25.96%0.06414%0.137CC..  trans-101.6125169-169.5-59.2000108.8D347 K348 F350D345-D347 PolarHBondContact OD1-N 2.73Å; D345-D347 VanDerWaalsContact OD1-N 3.09Å; D345-K348 PolarHBondContact OD1-N 3.13Å; D345-F350 HydrophobicContact CB-CE1 3.85Å; D345-F350 HydrophobicContact CB-CZ 3.99Å
346S78.4Confident91Very high86 Ų8621.6 Ų21.660%0.60112%0.12SC*.SBendtrans-76.5-32.7-171.857.30000114.2Q297Q297-S346 PolarHBondContact NE2-OG 3.13Å
347D85.6Confident91.4Very high99 Ų9920.7 Ų20.753%0.52911%0.113SC..SBendtrans-99.5-12.6-178.968.115.5000112.1D345 M349D345-D347 PolarHBondContact OD1-N 2.73Å; D345-D347 VanDerWaalsContact OD1-N 3.09Å; D347-M349 HydrophobicContact CB-CG 4.17Å; D347-M349 PolarHBondContact O-N 3.3Å; D347-M349 VanDerWaalsContact OD1-CB 3.25Å; D347-M349 WeakPolarHBondContact OD1-CB 3.33Å; D347-M349 PolarHBondContact OD1-N 2.91Å
348K90.4Very high91.7Very high58 Ų5823.3 Ų23.325%0.25213%0.125SC..  trans56.733-178.1-60.7178.1170.7-77.70111.2Q342 D343 D345 F350 G382Q342-K348 PolarHBondContact O-NZ 3.17Å; D343-K348 IonicContact OD1-NZ 3.4Å; D343-K348 PolarHBondContact OD1-NZ 2.85Å; D345-K348 PolarHBondContact OD1-N 3.13Å; K348-F350 HydrophobicContact CB-CE2 4.17Å; K348-F350 HydrophobicContact CB-CZ 4.46Å; K348-F350 WeakPolarHBondContact O-CE2 3.38Å; K348-G382 PolarHBondContact O-N 3.34Å
349M93.9Very high92Very high56 Ų5624.7 Ų24.728%0.27613%0.132SC..EExtended strand (participates in β ladder)trans-103.7112.4176.5-63.8-61.9-60.300109D347 F379 C380 A381D347-M349 HydrophobicContact CB-CG 4.17Å; D347-M349 PolarHBondContact O-N 3.3Å; D347-M349 VanDerWaalsContact OD1-CB 3.25Å; D347-M349 WeakPolarHBondContact OD1-CB 3.33Å; D347-M349 PolarHBondContact OD1-N 2.91Å; M349-F379 HydrophobicContact CB-CB 4.13Å; M349-F379 HydrophobicContact CB-CD1 3.85Å; M349-F379 HydrophobicContact CB-CG 4.38Å; M349-F379 HydrophobicContact CE-CB 3.74Å; M349-F379 WeakPolarHBondContact O-CD1 3.5Å; M349-C380 WeakPolarHBondContact CA-O 3.47Å; M349-A381 HydrophobicContact CE-CB 4.42Å; M349-A381 HydrophobicContact SD-CB 3.88Å
350F95.4Very high92.2Very high0 Ų025.6 Ų25.60%014%0.139CC..EExtended strand (participates in β ladder)trans-107.8116.4-173.6-59.1-73.1000111F300 Q342 D345 K348 A352 C380 I383 V386F300-F350 HydrophobicContact CB-CD1 4.05Å; F300-F350 HydrophobicContact CB-CE1 4.19Å; Q342-F350 HydrophobicContact CB-CE2 4.1Å; Q342-F350 HydrophobicContact CB-CZ 3.66Å; D345-F350 HydrophobicContact CB-CE1 3.85Å; D345-F350 HydrophobicContact CB-CZ 3.99Å; K348-F350 HydrophobicContact CB-CE2 4.17Å; K348-F350 HydrophobicContact CB-CZ 4.46Å; K348-F350 WeakPolarHBondContact O-CE2 3.38Å; F350-A352 PolarHBondContact O-N 2.93Å; F350-C380 PolarHBondContact N-O 3.06Å; F350-C380 PolarHBondContact O-N 2.79Å; F350-I383 HydrophobicContact CD2-CD1 4.03Å; F350-I383 HydrophobicContact CE2-CD1 4.06Å; F350-I383 HydrophobicContact CG-CD1 4.42Å; F350-I383 HydrophobicContact CZ-CD1 4.48Å; F350-V386 HydrophobicContact CB-CG2 3.88Å
351P96.8Very high92.4Very high15 Ų1530.9 Ų30.910%0.09717%0.173CC..EExtended strand (participates in β ladder)trans-66.8128.4168.928.3-32.5000109.7F300 T301 I302 F353 P378 F379F300-P351 WeakPolarHBondContact O-CD 3.35Å; T301-P351 WeakPolarHBondContact CA-O 3.5Å; T301-P351 HydrophobicContact CG2-CB 4.49Å; T301-P351 HydrophobicContact CG2-CG 4.19Å; T301-P351 WeakPolarHBondContact OG1-CG 3.06Å; I302-P351 PolarHBondContact N-O 3.41Å; P351-F353 HydrophobicContact CB-CE2 3.89Å; P351-P378 WeakPolarHBondContact CA-O 3.1Å; P351-P378 HydrophobicContact CB-CB 4.5Å; P351-P378 HydrophobicContact CB-CG 4.29Å; P351-F379 HydrophobicContact CB-CD1 4.25Å; P351-F379 HydrophobicContact CB-CE1 4.22Å; P351-F379 HydrophobicContact CB-CZ 4.49Å; P351-F379 HydrophobicContact CG-CD1 4.29Å; P351-F379 HydrophobicContact CG-CE1 3.98Å; P351-F379 HydrophobicContact CG-CZ 4.49Å
352A97.6Very high92.7Very high0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans-128.7125.2-177.500000111.2I302 F350 I371 P378 V386I302-A352 HydrophobicContact CB-CB 4.45Å; I302-A352 CarbonylContact O-C 3.49Å; I302-A352 WeakPolarHBondContact O-CA 3.41Å; F350-A352 PolarHBondContact O-N 2.93Å; A352-I371 HydrophobicContact CB-CD1 3.49Å; A352-I371 VanDerWaalsContact CB-CD1 3.49Å; A352-I371 HydrophobicContact CB-CG1 3.7Å; A352-I371 PolarHBondContact O-N 3.2Å; A352-P378 PolarHBondContact N-O 3.31Å; A352-V386 HydrophobicContact CB-CG1 4.04Å; A352-V386 HydrophobicContact CB-CG2 4.34Å
353F98.5Very high93Very high7 Ų738.5 Ų38.53%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-123.3148.1-174.3-65.2-88.6000111.6T301 I302 A303 I304 P351 E368 F369 P370 I371 P378 I408 H411T301-F353 HydrophobicContact CG2-CD2 3.77Å; T301-F353 HydrophobicContact CG2-CE2 3.99Å; I302-F353 PolarHBondContact O-N 2.88Å; A303-F353 CarbonylContact C-O 3.58Å; A303-F353 VanDerWaalsContact CA-O 3.31Å; A303-F353 WeakPolarHBondContact CA-O 3.22Å; I304-F353 PolarHBondContact N-O 2.79Å; P351-F353 HydrophobicContact CB-CE2 3.89Å; F353-E368 HydrophobicContact CD1-CG 4.01Å; F353-E368 HydrophobicContact CE1-CG 4.49Å; F353-F369 CarbonylContact C-O 3Å; F353-F369 WeakPolarHBondContact CA-O 3.49Å; F353-P370 HydrophobicContact CD1-CG 4.48Å; F353-P370 HydrophobicContact CE1-CG 4.15Å; F353-I371 VanDerWaalsContact C-CG2 3.46Å; F353-P378 HydrophobicContact CE1-CB 4.1Å; F353-P378 HydrophobicContact CE2-CB 4.36Å; F353-P378 HydrophobicContact CZ-CB 3.75Å; F353-P378 HydrophobicContact CZ-CG 3.94Å; F353-I408 HydrophobicContact CB-CD1 3.88Å; F353-I408 HydrophobicContact CD2-CD1 3.93Å; F353-I408 HydrophobicContact CG-CD1 3.92Å; F353-H411 AromaticContact CE1-CE1 3.89Å; F353-H411 AromaticContact CZ-CE1 3.51Å; F353-H411 AromaticContact CZ-NE2 3.65Å
354G97.8Very high93.3Very high1 Ų144.5 Ų44.51%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-106.5158.1165.700000110.6I304 E368 F369 I371I304-G354 CarbonylContact O-C 3.59Å; I304-G354 VanDerWaalsContact O-CA 3.24Å; I304-G354 WeakPolarHBondContact O-CA 3.34Å; G354-E368 CarbonylContact O-C 3.56Å; G354-E368 WeakPolarHBondContact O-CA 3.21Å; G354-F369 PolarHBondContact N-O 2.81Å; G354-F369 WeakPolarHBondContact O-CD1 3.26Å; G354-F369 WeakPolarHBondContact O-CE1 3.42Å; G354-F369 PolarHBondContact O-N 2.92Å; G354-I371 VanDerWaalsContact N-CG2 3.31Å
355F97.3Very high93.7Very high2 Ų246.7 Ų46.71%0.00925%0.253CS..EExtended strand (participates in β ladder)trans-143.5153171.662.4-90.3000111.9A303 I304 D305 F306 H367 T403 F405 I433A303-F355 HydrophobicContact CB-CD1 4.31Å; A303-F355 HydrophobicContact CB-CE1 4.19Å; I304-F355 VanDerWaalsContact C-CE1 3.44Å; I304-F355 VanDerWaalsContact O-CD1 3.31Å; I304-F355 WeakPolarHBondContact O-CD1 3.33Å; I304-F355 PolarHBondContact O-N 3.36Å; D305-F355 VanDerWaalsContact CA-CZ 3.47Å; D305-F355 HydrophobicContact CB-CE1 4.14Å; D305-F355 HydrophobicContact CB-CE2 3.76Å; D305-F355 HydrophobicContact CB-CZ 3.47Å; D305-F355 VanDerWaalsContact CB-CZ 3.47Å; F306-F355 PolarHBondContact N-O 3.24Å; F355-H367 WeakPolarHBondContact CB-O 3.27Å; F355-T403 HydrophobicContact CE2-CG2 4.01Å; F355-F405 AromaticContact CE2-CD1 3.88Å; F355-F405 HydrophobicContact CE2-CD1 3.88Å; F355-F405 AromaticContact CE2-CE1 3.59Å; F355-F405 HydrophobicContact CE2-CE1 3.59Å; F355-F405 AromaticContact CZ-CD1 3.91Å; F355-F405 HydrophobicContact CZ-CD1 3.91Å; F355-F405 AromaticContact CZ-CE1 3.5Å; F355-F405 HydrophobicContact CZ-CE1 3.5Å; F355-I433 HydrophobicContact CE1-CG2 4.01Å; F355-I433 HydrophobicContact CZ-CG2 3.95Å
356G96.1Very high94.2Very high0 Ų047.4 Ų47.40%026%0.259CS..SBendtrans84.819.6174.400000115.4S366 Y400 G401G356-S366 PolarHBondContact N-O 3.48Å; G356-Y400 CarbonylContact O-C 3.6Å; G356-Y400 VanDerWaalsContact O-CA 3.31Å; G356-Y400 WeakPolarHBondContact O-CA 3.27Å; G356-Y400 PolarHBondContact O-N 2.78Å; G356-G401 PolarHBondContact O-N 3.04Å
357A97.1Very high95Very high0 Ų045.4 Ų45.40%024%0.24CC..EExtended strand (participates in β ladder)trans-118.1158.3-179.300000112.8F306 V365 S366 F369 V397 K398F306-A357 HydrophobicContact CB-CB 3.77Å; A357-V365 WeakPolarHBondContact O-CA 3.43Å; A357-S366 PolarHBondContact N-O 2.74Å; A357-S366 PolarHBondContact O-N 3.02Å; A357-F369 HydrophobicContact CB-CE1 3.84Å; A357-F369 HydrophobicContact CB-CZ 3.94Å; A357-V397 HydrophobicContact CB-CB 4.1Å; A357-V397 HydrophobicContact CB-CG2 4.26Å; A357-K398 CarbonylContact C-O 3.5Å; A357-K398 WeakPolarHBondContact CA-O 3.45Å
358K97.5Very high95.5Very high56 Ų5643.9 Ų43.924%0.24323%0.23CC..EExtended strand (participates in β ladder)trans-89.9128.5166.4-71.3175.3176.8172.10110.2W363 Q364 V365 K398 Y400K358-W363 HydrophobicContact CB-CE3 4.21Å; K358-W363 WeakPolarHBondContact CD-O 3.34Å; K358-W363 WeakPolarHBondContact CG-O 3.04Å; K358-Q364 VanDerWaalsContact CA-O 3.3Å; K358-Q364 WeakPolarHBondContact CA-O 3.18Å; K358-V365 HydrophobicContact CG-CG2 3.91Å; K358-K398 HydrophobicContact CB-CB 4.13Å; K358-K398 PolarHBondContact N-O 2.88Å; K358-K398 PolarHBondContact O-N 3.41Å; K358-Y400 HydrophobicContact CD-CD1 4.41Å; K358-Y400 HydrophobicContact CD-CD2 4.18Å; K358-Y400 HydrophobicContact CD-CG 4.06Å; K358-Y400 HydrophobicContact CG-CD1 4.22Å; K358-Y400 HydrophobicContact CG-CG 4.03Å; K358-Y400 VanDerWaalsContact NZ-CE2 3.32Å
359L96Very high95.8Very high30 Ų3041.5 Ų41.516%0.15722%0.219CC..EExtended strand (participates in β ladder)trans-106139.6-173.7-56.6178.6000112.8W363 Q364 F369 V397L359-W363 WeakPolarHBondContact O-CA 3.49Å; L359-W363 PolarHBondContact O-N 3.4Å; L359-Q364 PolarHBondContact N-O 2.84Å; L359-Q364 VanDerWaalsContact N-O 3.11Å; L359-F369 HydrophobicContact CD1-CB 3.44Å; L359-F369 VanDerWaalsContact CD1-CB 3.44Å; L359-F369 HydrophobicContact CD1-CD1 3.85Å; L359-F369 HydrophobicContact CD1-CD2 4.19Å; L359-F369 HydrophobicContact CD1-CG 3.56Å; L359-F369 HydrophobicContact CD2-CD1 3.86Å; L359-F369 HydrophobicContact CD2-CD2 3.73Å; L359-F369 HydrophobicContact CD2-CE1 3.9Å; L359-F369 HydrophobicContact CD2-CE2 3.79Å; L359-F369 HydrophobicContact CD2-CG 3.77Å; L359-F369 HydrophobicContact CD2-CZ 3.87Å; L359-F369 HydrophobicContact CG-CD1 4.25Å; L359-F369 HydrophobicContact CG-CG 4.23Å; L359-V397 HydrophobicContact CD2-CB 4.28Å; L359-V397 HydrophobicContact CD2-CG1 3.51Å
360P92.7Very high96Very high53 Ų5339.8 Ų39.834%0.34421%0.212SC..THydrogen-bonded Turntrans-66.9158.6169.530.5-34.8000111.3W363 Q396P360-W363 HydrophobicContact CB-CH2 4.11Å; P360-W363 HydrophobicContact CB-CZ2 4Å; P360-W363 HydrophobicContact CG-CH2 4.47Å; P360-Q396 WeakPolarHBondContact CD-O 3.4Å
361P92.8Very high96.1Very high119 Ų11939.9 Ų39.977%0.77321%0.213SC*.THydrogen-bonded Turncis-84.1-13.8-6.634-34.9000113.2W363P361-W363 VanDerWaalsContact O-CD1 3.28Å
362T93.6Very high96Very high93 Ų9341.5 Ų41.557%0.57122%0.221SC*.THydrogen-bonded Turntrans-79.5-19.8-171.760.50000113.4Q364T362-Q364 PolarHBondContact O-N 3.06Å
363W95.1Very high95.9Very high100 Ų10045.1 Ų45.138%0.37924%0.237SC..THydrogen-bonded Turntrans54.828.9-174-58.7104.2000113.6K358 L359 P360 P361 K398K358-W363 HydrophobicContact CB-CE3 4.21Å; K358-W363 WeakPolarHBondContact CD-O 3.34Å; K358-W363 WeakPolarHBondContact CG-O 3.04Å; L359-W363 WeakPolarHBondContact O-CA 3.49Å; L359-W363 PolarHBondContact O-N 3.4Å; P360-W363 HydrophobicContact CB-CH2 4.11Å; P360-W363 HydrophobicContact CB-CZ2 4Å; P360-W363 HydrophobicContact CG-CH2 4.47Å; P361-W363 VanDerWaalsContact O-CD1 3.28Å; W363-K398 HydrophobicContact CD2-CD 4.22Å; W363-K398 HydrophobicContact CE3-CB 4.32Å; W363-K398 HydrophobicContact CE3-CD 3.59Å; W363-K398 HydrophobicContact CE3-CG 3.96Å; W363-K398 HydrophobicContact CH2-CD 4.24Å; W363-K398 HydrophobicContact CH2-CG 4.23Å; W363-K398 HydrophobicContact CZ3-CB 4.11Å; W363-K398 HydrophobicContact CZ3-CD 3.61Å; W363-K398 HydrophobicContact CZ3-CG 3.53Å
364Q95.5Very high95.8Very high138 Ų13847.9 Ų47.965%0.64525%0.252SS*.EExtended strand (participates in β ladder)trans-76.3146.9170.4-71.5-178.5-13.600110.2K358 L359 T362 S366K358-Q364 VanDerWaalsContact CA-O 3.3Å; K358-Q364 WeakPolarHBondContact CA-O 3.18Å; L359-Q364 PolarHBondContact N-O 2.84Å; L359-Q364 VanDerWaalsContact N-O 3.11Å; T362-Q364 PolarHBondContact O-N 3.06Å; Q364-S366 PolarHBondContact O-N 2.82Å
365V95.2Very high95.4Very high56 Ų5652.9 Ų52.934%0.33928%0.284SS..EExtended strand (participates in β ladder)trans-68.2129.3175.3-173.70000108.5A357 K358 Y400A357-V365 WeakPolarHBondContact O-CA 3.43Å; K358-V365 HydrophobicContact CG-CG2 3.91Å; V365-Y400 HydrophobicContact CB-CD1 4.32Å; V365-Y400 HydrophobicContact CG1-CD1 4.07Å; V365-Y400 HydrophobicContact CG2-CD1 3.29Å; V365-Y400 HydrophobicContact CG2-CE1 3.47Å; V365-Y400 VanDerWaalsContact CG2-CE1 3.47Å; V365-Y400 HydrophobicContact CG2-CG 4.39Å
366S95.5Very high95.3Very high26 Ų2658.3 Ų58.318%0.18232%0.322CS..EExtended strand (participates in β ladder)trans-116.6135.3169.2-174.90000110.2G356 A357 Q364 E368G356-S366 PolarHBondContact N-O 3.48Å; A357-S366 PolarHBondContact N-O 2.74Å; A357-S366 PolarHBondContact O-N 3.02Å; Q364-S366 PolarHBondContact O-N 2.82Å; S366-E368 VanDerWaalsContact OG-C 3.26Å; S366-E368 PolarHBondContact OG-N 2.78Å; S366-E368 VanDerWaalsContact OG-N 3.13Å; S366-E368 PolarHBondContact OG-O 2.82Å
367H94.2Very high95.2Very high44 Ų4461.8 Ų61.820%0.20434%0.341CS..SBendtrans-100.89.9171.1-62.5-70.4000112.3F355 P402 N404 P407F355-H367 WeakPolarHBondContact CB-O 3.27Å; H367-P402 PolarHBondContact CE1-O 2.85Å; H367-P402 PolarHBondContact ND1-O 3.01Å; H367-N404 HydrophobicContact CB-CB 4.47Å; H367-N404 PolarHBondContact CE1-ND2 2.78Å; H367-P407 HydrophobicContact CB-CB 4.29Å; H367-P407 HydrophobicContact CB-CG 3.85Å
368E95.6Very high95.1Very high67 Ų6762.8 Ų62.831%0.31335%0.347SS..SBendtrans-167.3117.3175.6-174.5-166.1118.800109.4F353 G354 S366 I408 H411F353-E368 HydrophobicContact CD1-CG 4.01Å; F353-E368 HydrophobicContact CE1-CG 4.49Å; G354-E368 CarbonylContact O-C 3.56Å; G354-E368 WeakPolarHBondContact O-CA 3.21Å; S366-E368 VanDerWaalsContact OG-C 3.26Å; S366-E368 PolarHBondContact OG-N 2.78Å; S366-E368 VanDerWaalsContact OG-N 3.13Å; S366-E368 PolarHBondContact OG-O 2.82Å; E368-I408 HydrophobicContact CG-CD1 4.17Å; E368-H411 IonicContact OE1-CE1 3.15Å; E368-H411 PolarHBondContact OE1-CE1 3.48Å; E368-H411 IonicContact OE1-CG 2.59Å; E368-H411 IonicContact OE1-ND1 2.86Å; E368-H411 PolarHBondContact OE1-ND1 3.5Å; E368-H411 WeakPolarHBondContact OE2-CB 3.46Å; E368-H411 IonicContact OE2-CG 3.22Å; E368-H411 IonicContact OE2-ND1 3.89Å; E368-H411 PolarHBondContact OE2-ND1 2.83Å
369F97.3Very high95.1Very high8 Ų864.2 Ų64.24%0.03535%0.354CS..EExtended strand (participates in β ladder)trans-151.8142.2173.659.5-86.3000111.9F306 F353 G354 A357 L359 I371 V397F306-F369 HydrophobicContact CB-CZ 4.44Å; F306-F369 AromaticContact CD2-CZ 3.95Å; F306-F369 HydrophobicContact CD2-CZ 3.95Å; F306-F369 HydrophobicContact CE2-CZ 4.37Å; F306-F369 HydrophobicContact CG-CZ 4.23Å; F353-F369 CarbonylContact C-O 3Å; F353-F369 WeakPolarHBondContact CA-O 3.49Å; G354-F369 PolarHBondContact N-O 2.81Å; G354-F369 WeakPolarHBondContact O-CD1 3.26Å; G354-F369 WeakPolarHBondContact O-CE1 3.42Å; G354-F369 PolarHBondContact O-N 2.92Å; A357-F369 HydrophobicContact CB-CE1 3.84Å; A357-F369 HydrophobicContact CB-CZ 3.94Å; L359-F369 HydrophobicContact CD1-CB 3.44Å; L359-F369 VanDerWaalsContact CD1-CB 3.44Å; L359-F369 HydrophobicContact CD1-CD1 3.85Å; L359-F369 HydrophobicContact CD1-CD2 4.19Å; L359-F369 HydrophobicContact CD1-CG 3.56Å; L359-F369 HydrophobicContact CD2-CD1 3.86Å; L359-F369 HydrophobicContact CD2-CD2 3.73Å; L359-F369 HydrophobicContact CD2-CE1 3.9Å; L359-F369 HydrophobicContact CD2-CE2 3.79Å; L359-F369 HydrophobicContact CD2-CG 3.77Å; L359-F369 HydrophobicContact CD2-CZ 3.87Å; L359-F369 HydrophobicContact CG-CD1 4.25Å; L359-F369 HydrophobicContact CG-CG 4.23Å; F369-I371 HydrophobicContact CE2-CG2 4.43Å; F369-I371 PolarHBondContact O-N 3.47Å; F369-V397 HydrophobicContact CE2-CG1 4.17Å; F369-V397 HydrophobicContact CZ-CG1 4.35Å
370P97.7Very high95.1Very high20 Ų2063.2 Ų63.213%0.1335%0.349CS..EExtended strand (participates in β ladder)trans-61.5126.5173-15.124.4000110.5F353 N372 F373 P375 P378F353-P370 HydrophobicContact CD1-CG 4.48Å; F353-P370 HydrophobicContact CE1-CG 4.15Å; P370-N372 VanDerWaalsContact CB-OD1 3.28Å; P370-N372 WeakPolarHBondContact CB-OD1 3.32Å; P370-N372 PolarHBondContact O-N 2.89Å; P370-F373 PolarHBondContact O-N 3.01Å; P370-P375 HydrophobicContact CG-CB 4.41Å; P370-P378 HydrophobicContact CB-CB 3.94Å; P370-P378 HydrophobicContact CG-CB 4.2Å
371I97.6Very high95.2Very high2 Ų264 Ų641%0.0136%0.36CS..THydrogen-bonded Turntrans-69.9-18.5-179.665.4175.8000112.3I304 F306 A352 F353 G354 F369 F373 V386 A389 C393I304-I371 HydrophobicContact CD1-CD1 4.08Å; F306-I371 HydrophobicContact CE2-CG2 4Å; F306-I371 HydrophobicContact CZ-CG2 4.41Å; A352-I371 HydrophobicContact CB-CD1 3.49Å; A352-I371 VanDerWaalsContact CB-CD1 3.49Å; A352-I371 HydrophobicContact CB-CG1 3.7Å; A352-I371 PolarHBondContact O-N 3.2Å; F353-I371 VanDerWaalsContact C-CG2 3.46Å; G354-I371 VanDerWaalsContact N-CG2 3.31Å; F369-I371 HydrophobicContact CE2-CG2 4.43Å; F369-I371 PolarHBondContact O-N 3.47Å; I371-F373 PolarHBondContact O-N 3.25Å; I371-V386 HydrophobicContact CD1-CG1 4.35Å; I371-A389 HydrophobicContact CD1-CB 3.97Å; I371-A389 HydrophobicContact CG1-CB 3.85Å; I371-C393 HydrophobicContact CB-CB 4.04Å; I371-C393 VanDerWaalsContact O-CB 3.32Å; I371-C393 WeakPolarHBondContact O-CB 3.3Å
372N96.4Very high95.3Very high49 Ų4958.8 Ų58.826%0.26233%0.328SS..THydrogen-bonded Turntrans-82.62.5172.572.6-1.3000113.4P370 N374 N377 A389P370-N372 VanDerWaalsContact CB-OD1 3.28Å; P370-N372 WeakPolarHBondContact CB-OD1 3.32Å; P370-N372 PolarHBondContact O-N 2.89Å; N372-N374 PolarHBondContact O-N 3.25Å; N372-N374 VanDerWaalsContact O-N 3.12Å; N372-N374 PolarHBondContact OD1-N 2.94Å; N372-N377 PolarHBondContact ND2-O 3.26Å; N372-A389 HydrophobicContact CB-CB 4.32Å
373F95.2Very high95.3Very high76 Ų7654.4 Ų54.433%0.33330%0.301SS..SBendtrans55.421-175.8-59.3-68.9000115.5P370 I371 P375 C393 Q396 V397P370-F373 PolarHBondContact O-N 3.01Å; I371-F373 PolarHBondContact O-N 3.25Å; F373-P375 WeakPolarHBondContact O-CD 3.44Å; F373-C393 HydrophobicContact CE2-CB 4.27Å; F373-C393 HydrophobicContact CZ-CB 4.38Å; F373-C393 VanDerWaalsContact CZ-SG 3.57Å; F373-Q396 HydrophobicContact CE2-CB 3.96Å; F373-Q396 HydrophobicContact CE2-CG 4.33Å; F373-Q396 HydrophobicContact CZ-CB 3.79Å; F373-V397 HydrophobicContact CE1-CG1 4.07Å; F373-V397 HydrophobicContact CZ-CG1 3.86Å
374N94.8Very high95.3Very high66 Ų6654.7 Ų54.735%0.35331%0.307SS..  trans-11392.3176.4-171.8-9.3000110.7N372 S376 N377N372-N374 PolarHBondContact O-N 3.25Å; N372-N374 VanDerWaalsContact O-N 3.12Å; N372-N374 PolarHBondContact OD1-N 2.94Å; N374-S376 PolarHBondContact O-N 2.71Å; N374-S376 PolarHBondContact OD1-N 2.92Å; N374-N377 CarbonylContact O-C 3.57Å; N374-N377 PolarHBondContact O-N 2.98Å; N374-N377 VanDerWaalsContact O-N 3.12Å; N374-N377 PolarHBondContact OD1-N 2.8Å
375P91.1Very high95.4Very high106 Ų10649 Ų4969%0.68829%0.285SS*.THydrogen-bonded Turntrans-65.4-23.5179.927.5-34.8000113.6P370 F373 N377P370-P375 HydrophobicContact CG-CB 4.41Å; F373-P375 WeakPolarHBondContact O-CD 3.44Å; P375-N377 VanDerWaalsContact C-N 3.33Å
376S94.4Very high95.4Very high115 Ų11546.3 Ų46.380%0.80427%0.269SS*.THydrogen-bonded Turntrans-78.7-20.3176.5-55.10000112.7N374N374-S376 PolarHBondContact O-N 2.71Å; N374-S376 PolarHBondContact OD1-N 2.92Å
377N94.6Very high95.4Very high74 Ų7445.8 Ų45.840%0.39626%0.264SS..  trans-151.587.8179.2-177.69000110.3N372 N374 P375 F379N372-N377 PolarHBondContact ND2-O 3.26Å; N374-N377 CarbonylContact O-C 3.57Å; N374-N377 PolarHBondContact O-N 2.98Å; N374-N377 VanDerWaalsContact O-N 3.12Å; N374-N377 PolarHBondContact OD1-N 2.8Å; P375-N377 VanDerWaalsContact C-N 3.33Å; N377-F379 PolarHBondContact O-N 3.05Å; N377-F379 WeakPolarHBondContact OD1-CB 3.19Å; N377-F379 VanDerWaalsContact OD1-CD2 3.29Å; N377-F379 WeakPolarHBondContact OD1-CD2 3.36Å; N377-F379 PolarHBondContact OD1-N 3.07Å
378P95.3Very high95.5Very high20 Ų2049.7 Ų49.713%0.1328%0.281CS..  trans-75.90.5-178.631.9-36.7000113.8P351 A352 F353 P370P351-P378 WeakPolarHBondContact CA-O 3.1Å; P351-P378 HydrophobicContact CB-CB 4.5Å; P351-P378 HydrophobicContact CB-CG 4.29Å; A352-P378 PolarHBondContact N-O 3.31Å; F353-P378 HydrophobicContact CE1-CB 4.1Å; F353-P378 HydrophobicContact CE2-CB 4.36Å; F353-P378 HydrophobicContact CZ-CB 3.75Å; F353-P378 HydrophobicContact CZ-CG 3.94Å; P370-P378 HydrophobicContact CB-CB 3.94Å; P370-P378 HydrophobicContact CG-CB 4.2Å
379F96.4Very high95.6Very high87 Ų8746.9 Ų46.938%0.38227%0.269SS..EExtended strand (participates in β ladder)trans-80.9134.7-171.1-65.6-97.8000112.7M349 P351 N377M349-F379 HydrophobicContact CB-CB 4.13Å; M349-F379 HydrophobicContact CB-CD1 3.85Å; M349-F379 HydrophobicContact CB-CG 4.38Å; M349-F379 HydrophobicContact CE-CB 3.74Å; M349-F379 WeakPolarHBondContact O-CD1 3.5Å; P351-F379 HydrophobicContact CB-CD1 4.25Å; P351-F379 HydrophobicContact CB-CE1 4.22Å; P351-F379 HydrophobicContact CB-CZ 4.49Å; P351-F379 HydrophobicContact CG-CD1 4.29Å; P351-F379 HydrophobicContact CG-CE1 3.98Å; P351-F379 HydrophobicContact CG-CZ 4.49Å; N377-F379 PolarHBondContact O-N 3.05Å; N377-F379 WeakPolarHBondContact OD1-CB 3.19Å; N377-F379 VanDerWaalsContact OD1-CD2 3.29Å; N377-F379 WeakPolarHBondContact OD1-CD2 3.36Å; N377-F379 PolarHBondContact OD1-N 3.07Å
380C96.4Very high95.5Very high9 Ų946.5 Ų46.56%0.06127%0.267CS..EExtended strand (participates in β ladder)trans-109.1137175.1-61.30000109.8M349 F350 G382 V386M349-C380 WeakPolarHBondContact CA-O 3.47Å; F350-C380 PolarHBondContact N-O 3.06Å; F350-C380 PolarHBondContact O-N 2.79Å; C380-G382 PolarHBondContact O-N 2.8Å; C380-V386 HydrophobicContact CB-CB 4.47Å; C380-V386 HydrophobicContact CB-CG2 3.71Å
381A95.3Very high95.4Very high68 Ų6848.9 Ų48.956%0.56228%0.277SS*.EExtended strand (participates in β ladder)trans-78.3110.7179.300000111.1M349 G385M349-A381 HydrophobicContact CE-CB 4.42Å; M349-A381 HydrophobicContact SD-CB 3.88Å; A381-G385 VanDerWaalsContact O-CA 3.28Å; A381-G385 WeakPolarHBondContact O-CA 3.21Å; A381-G385 PolarHBondContact O-N 3.29Å; A381-G385 VanDerWaalsContact O-N 3.14Å
382G94.4Very high95.3Very high11 Ų1153.2 Ų53.211%0.11330%0.297CS..Hα-helixtrans68.3175.5-177.600000113.8K348 C380 E384 G385 V386K348-G382 PolarHBondContact O-N 3.34Å; C380-G382 PolarHBondContact O-N 2.8Å; G382-E384 VanDerWaalsContact C-N 3.29Å; G382-G385 PolarHBondContact O-N 3.45Å; G382-V386 PolarHBondContact O-N 3.39Å
383I94.3Very high95.3Very high0 Ų050.9 Ų50.90%028%0.284CS..Hα-helixtrans-70-32.3175.5-58.7-55.8000110.7I334 W335 G338 Q342 F350 G385 V386 I387I334-I383 HydrophobicContact CG2-CG2 4Å; W335-I383 HydrophobicContact CE3-CG2 3.94Å; W335-I383 HydrophobicContact CZ3-CG2 4.45Å; G338-I383 VanDerWaalsContact C-CG1 3.5Å; G338-I383 WeakPolarHBondContact O-CG1 3.49Å; Q342-I383 HydrophobicContact CB-CG1 4.37Å; F350-I383 HydrophobicContact CD2-CD1 4.03Å; F350-I383 HydrophobicContact CE2-CD1 4.06Å; F350-I383 HydrophobicContact CG-CD1 4.42Å; F350-I383 HydrophobicContact CZ-CD1 4.48Å; I383-G385 VanDerWaalsContact C-N 3.27Å; I383-G385 PolarHBondContact O-N 2.94Å; I383-V386 PolarHBondContact O-N 3.33Å; I383-I387 HydrophobicContact CG2-CD1 4.38Å; I383-I387 WeakPolarHBondContact O-CG1 3.39Å; I383-I387 PolarHBondContact O-N 3.5Å
384E94.5Very high95.3Very high106 Ų10647.7 Ų47.750%0.49527%0.27SS..Hα-helixtrans-58.1-40.7171.6-63.782.2176.100111.4W335 G382 I387 F388W335-E384 HydrophobicContact CH2-CG 4.41Å; W335-E384 HydrophobicContact CZ3-CG 4.21Å; G382-E384 VanDerWaalsContact C-N 3.29Å; E384-I387 PolarHBondContact O-N 3.39Å; E384-F388 WeakPolarHBondContact O-CB 3.19Å; E384-F388 PolarHBondContact O-N 3.38Å
385G96.3Very high95.3Very high19 Ų1949.5 Ų49.520%0.19629%0.286CS..Hα-helixtrans-64.8-40.4175.200000112.7A381 G382 I383 F388 A389A381-G385 VanDerWaalsContact O-CA 3.28Å; A381-G385 WeakPolarHBondContact O-CA 3.21Å; A381-G385 PolarHBondContact O-N 3.29Å; A381-G385 VanDerWaalsContact O-N 3.14Å; G382-G385 PolarHBondContact O-N 3.45Å; I383-G385 VanDerWaalsContact C-N 3.27Å; I383-G385 PolarHBondContact O-N 2.94Å; G385-F388 PolarHBondContact O-N 3.05Å; G385-A389 WeakPolarHBondContact O-CB 3.41Å; G385-A389 PolarHBondContact O-N 3.12Å
386V96.8Very high95.5Very high0 Ų048.8 Ų48.80%027%0.273CS..Hα-helixtrans-63.6-45.6175.6177.50000110.8I302 I334 F350 A352 I371 C380 G382 I383 F388 A389 Y390I302-V386 HydrophobicContact CD1-CB 4.39Å; I302-V386 HydrophobicContact CD1-CG1 3.82Å; I302-V386 HydrophobicContact CD1-CG2 3.99Å; I334-V386 HydrophobicContact CG2-CG1 4.07Å; F350-V386 HydrophobicContact CB-CG2 3.88Å; A352-V386 HydrophobicContact CB-CG1 4.04Å; A352-V386 HydrophobicContact CB-CG2 4.34Å; I371-V386 HydrophobicContact CD1-CG1 4.35Å; C380-V386 HydrophobicContact CB-CB 4.47Å; C380-V386 HydrophobicContact CB-CG2 3.71Å; G382-V386 PolarHBondContact O-N 3.39Å; I383-V386 PolarHBondContact O-N 3.33Å; V386-F388 VanDerWaalsContact C-N 3.34Å; V386-F388 PolarHBondContact O-N 3.27Å; V386-A389 PolarHBondContact O-N 3.25Å; V386-Y390 WeakPolarHBondContact O-CB 3.29Å; V386-Y390 PolarHBondContact O-N 2.68Å
387I95.1Very high95.6Very high15 Ų1544 Ų448%0.07724%0.239CC..Hα-helixtrans-60-47177.1-75178.8000110.8L331 I334 W335 I383 E384 A389 Y390 Q391L331-I387 HydrophobicContact CD2-CB 4.29Å; L331-I387 HydrophobicContact CD2-CD1 4.43Å; L331-I387 HydrophobicContact CD2-CG1 3.89Å; L331-I387 HydrophobicContact CD2-CG2 3.88Å; I334-I387 HydrophobicContact CG2-CG1 4.18Å; W335-I387 HydrophobicContact CD2-CD1 4.26Å; W335-I387 HydrophobicContact CE3-CD1 3.25Å; W335-I387 HydrophobicContact CZ3-CD1 3.7Å; I383-I387 HydrophobicContact CG2-CD1 4.38Å; I383-I387 WeakPolarHBondContact O-CG1 3.39Å; I383-I387 PolarHBondContact O-N 3.5Å; E384-I387 PolarHBondContact O-N 3.39Å; I387-A389 PolarHBondContact O-N 3.49Å; I387-Y390 PolarHBondContact O-N 3.4Å; I387-Q391 WeakPolarHBondContact O-CG 3.32Å; I387-Q391 PolarHBondContact O-N 2.8Å
388F95.5Very high95.8Very high126 Ų12645.6 Ų45.655%0.55324%0.243SC*.Hα-helixtrans-59.1-48.9177.2178.2-97.7000110.8E384 G385 V386 Y390 Q391 Q392E384-F388 WeakPolarHBondContact O-CB 3.19Å; E384-F388 PolarHBondContact O-N 3.38Å; G385-F388 PolarHBondContact O-N 3.05Å; V386-F388 VanDerWaalsContact C-N 3.34Å; V386-F388 PolarHBondContact O-N 3.27Å; F388-Y390 PolarHBondContact O-N 2.78Å; F388-Q391 PolarHBondContact O-N 3.01Å; F388-Q392 HydrophobicContact CD1-CG 4.22Å; F388-Q392 HydrophobicContact CE1-CG 3.8Å; F388-Q392 HydrophobicContact CE2-CG 4.12Å; F388-Q392 HydrophobicContact CZ-CG 3.74Å; F388-Q392 WeakPolarHBondContact O-CG 3.44Å; F388-Q392 PolarHBondContact O-N 2.95Å
389A97.3Very high95.8Very high8 Ų846.2 Ų46.27%0.06625%0.245CC..Hα-helixtrans-61.3-42.2179.300000112.1I371 N372 G385 V386 I387 Q392 C393I371-A389 HydrophobicContact CD1-CB 3.97Å; I371-A389 HydrophobicContact CG1-CB 3.85Å; N372-A389 HydrophobicContact CB-CB 4.32Å; G385-A389 WeakPolarHBondContact O-CB 3.41Å; G385-A389 PolarHBondContact O-N 3.12Å; V386-A389 PolarHBondContact O-N 3.25Å; I387-A389 PolarHBondContact O-N 3.49Å; A389-Q392 PolarHBondContact O-N 3.43Å; A389-C393 WeakPolarHBondContact O-CB 3.42Å; A389-C393 PolarHBondContact O-N 2.88Å
390Y97.1Very high95.8Very high0 Ų047.6 Ų47.60%025%0.248CC..Hα-helixtrans-59.1-48.3174.9166.8-102.2000112.1I304 F306 H320 I322 L331 V386 I387 F388 Q392 C393 L394I304-Y390 HydrophobicContact CD1-CD2 3.66Å; I304-Y390 HydrophobicContact CD1-CE2 4.42Å; I304-Y390 HydrophobicContact CD1-CG 4.22Å; I304-Y390 HydrophobicContact CG2-CD2 4.11Å; I304-Y390 HydrophobicContact CG2-CE2 3.9Å; F306-Y390 HydrophobicContact CE1-CD2 4.37Å; F306-Y390 HydrophobicContact CE1-CE2 4.23Å; F306-Y390 HydrophobicContact CE2-CD2 4.44Å; F306-Y390 AromaticContact CZ-CD2 3.71Å; F306-Y390 HydrophobicContact CZ-CD2 3.71Å; F306-Y390 AromaticContact CZ-CE2 3.93Å; F306-Y390 HydrophobicContact CZ-CE2 3.93Å; H320-Y390 AromaticContact ND1-CE2 3.8Å; H320-Y390 AromaticContact ND1-CZ 3.72Å; H320-Y390 PolarHBondContact ND1-OH 3.15Å; I322-Y390 HydrophobicContact CD1-CE1 3.76Å; L331-Y390 HydrophobicContact CD1-CE1 4.19Å; L331-Y390 HydrophobicContact CD2-CD1 3.55Å; L331-Y390 HydrophobicContact CD2-CE1 3.78Å; L331-Y390 HydrophobicContact CG-CD1 4.06Å; L331-Y390 HydrophobicContact CG-CE1 3.73Å; V386-Y390 WeakPolarHBondContact O-CB 3.29Å; V386-Y390 PolarHBondContact O-N 2.68Å; I387-Y390 PolarHBondContact O-N 3.4Å; F388-Y390 PolarHBondContact O-N 2.78Å; Y390-Q392 VanDerWaalsContact C-N 3.3Å; Y390-Q392 PolarHBondContact O-N 2.9Å; Y390-C393 PolarHBondContact O-N 2.97Å; Y390-L394 PolarHBondContact O-N 3.23Å; Y390-L394 VanDerWaalsContact O-N 3.09Å
391Q94.8Very high95.5Very high70 Ų7048 Ų4833%0.32725%0.253SS..Hα-helixtrans-62.5-35.8178.4-72.2175.4-19.700112.6I322 I387 F388 P395I322-Q391 HydrophobicContact CD1-CG 4.3Å; I387-Q391 WeakPolarHBondContact O-CG 3.32Å; I387-Q391 PolarHBondContact O-N 2.8Å; F388-Q391 PolarHBondContact O-N 3.01Å; Q391-P395 WeakPolarHBondContact O-CD 3.49Å
392Q95.4Very high95.4Very high93 Ų9347.3 Ų47.344%0.43524%0.243SC..Hα-helixtrans-75.6-33175.5-64.9-50.1-61.100112.7F388 A389 Y390 P395 Q396F388-Q392 HydrophobicContact CD1-CG 4.22Å; F388-Q392 HydrophobicContact CE1-CG 3.8Å; F388-Q392 HydrophobicContact CE2-CG 4.12Å; F388-Q392 HydrophobicContact CZ-CG 3.74Å; F388-Q392 WeakPolarHBondContact O-CG 3.44Å; F388-Q392 PolarHBondContact O-N 2.95Å; A389-Q392 PolarHBondContact O-N 3.43Å; Y390-Q392 VanDerWaalsContact C-N 3.3Å; Y390-Q392 PolarHBondContact O-N 2.9Å; Q392-P395 WeakPolarHBondContact O-CD 3.33Å; Q392-Q396 PolarHBondContact O-NE2 3.02Å
393C96.6Very high95.4Very high0 Ų047.2 Ų47.20%024%0.241CC..Hα-helixtrans-69.7-46.9-177.6-171.30000112.5F306 I371 F373 A389 Y390 Q396 V397F306-C393 HydrophobicContact CZ-CB 4.37Å; I371-C393 HydrophobicContact CB-CB 4.04Å; I371-C393 VanDerWaalsContact O-CB 3.32Å; I371-C393 WeakPolarHBondContact O-CB 3.3Å; F373-C393 HydrophobicContact CE2-CB 4.27Å; F373-C393 HydrophobicContact CZ-CB 4.38Å; F373-C393 VanDerWaalsContact CZ-SG 3.57Å; A389-C393 WeakPolarHBondContact O-CB 3.42Å; A389-C393 PolarHBondContact O-N 2.88Å; Y390-C393 PolarHBondContact O-N 2.97Å; C393-Q396 WeakPolarHBondContact O-CB 3.31Å; C393-Q396 PolarHBondContact O-N 3.23Å; C393-V397 PolarHBondContact O-N 2.87Å
394L95.6Very high95.4Very high8 Ų848.4 Ų48.44%0.04225%0.247CC..G310 helixtrans-50.9-47.2-172.2-173.564.6000115.3F306 P313 H320 I322 Y390 Q396 L399F306-L394 HydrophobicContact CD1-CD1 3.86Å; F306-L394 HydrophobicContact CE1-CB 4.19Å; F306-L394 HydrophobicContact CE1-CD1 3.62Å; P313-L394 HydrophobicContact CB-CD1 4.11Å; P313-L394 HydrophobicContact CB-CD2 4Å; P313-L394 HydrophobicContact CB-CG 3.96Å; P313-L394 HydrophobicContact CG-CD1 3.75Å; P313-L394 HydrophobicContact CG-CG 4.11Å; H320-L394 HydrophobicContact CB-CD1 3.79Å; H320-L394 HydrophobicContact CB-CD2 3.91Å; H320-L394 HydrophobicContact CB-CG 4.48Å; H320-L394 VanDerWaalsContact O-CD2 3.3Å; H320-L394 WeakPolarHBondContact O-CD2 3.21Å; I322-L394 HydrophobicContact CD1-CD2 3.9Å; I322-L394 HydrophobicContact CG1-CD2 3.78Å; Y390-L394 PolarHBondContact O-N 3.23Å; Y390-L394 VanDerWaalsContact O-N 3.09Å; L394-Q396 PolarHBondContact O-N 3.44Å; L394-L399 HydrophobicContact CD1-CD2 4.3Å
395P94.8Very high95.5Very high104 Ų10443.4 Ų43.468%0.67522%0.223SC*.G310 helixtrans-72.5-11.3178.728.8-36.5000114.4Q391 Q392Q391-P395 WeakPolarHBondContact O-CD 3.49Å; Q392-P395 WeakPolarHBondContact O-CD 3.33Å
396Q95.7Very high95.6Very high91 Ų9142.8 Ų42.843%0.42522%0.217SC..G310 helixtrans-96.8-16.6-175.4-62.2-175.96500113.2P360 F373 Q392 C393 L394P360-Q396 WeakPolarHBondContact CD-O 3.4Å; F373-Q396 HydrophobicContact CE2-CB 3.96Å; F373-Q396 HydrophobicContact CE2-CG 4.33Å; F373-Q396 HydrophobicContact CZ-CB 3.79Å; Q392-Q396 PolarHBondContact O-NE2 3.02Å; C393-Q396 WeakPolarHBondContact O-CB 3.31Å; C393-Q396 PolarHBondContact O-N 3.23Å; L394-Q396 PolarHBondContact O-N 3.44Å
397V96.7Very high95.6Very high14 Ų1444.9 Ų44.99%0.08523%0.23CC..SBendtrans-105160.4-178.9-56.80000111.5F306 A357 L359 F369 F373 C393F306-V397 HydrophobicContact CD1-CG2 3.75Å; F306-V397 HydrophobicContact CE1-CG2 4.15Å; A357-V397 HydrophobicContact CB-CB 4.1Å; A357-V397 HydrophobicContact CB-CG2 4.26Å; L359-V397 HydrophobicContact CD2-CB 4.28Å; L359-V397 HydrophobicContact CD2-CG1 3.51Å; F369-V397 HydrophobicContact CE2-CG1 4.17Å; F369-V397 HydrophobicContact CZ-CG1 4.35Å; F373-V397 HydrophobicContact CE1-CG1 4.07Å; F373-V397 HydrophobicContact CZ-CG1 3.86Å; C393-V397 PolarHBondContact O-N 2.87Å
398K96.7Very high95.7Very high109 Ų10944.2 Ų44.247%0.47423%0.227SC..EExtended strand (participates in β ladder)trans-108.5117169.8-74.4173.4-171.3173.30109.1A357 K358 W363 Y400A357-K398 CarbonylContact C-O 3.5Å; A357-K398 WeakPolarHBondContact CA-O 3.45Å; K358-K398 HydrophobicContact CB-CB 4.13Å; K358-K398 PolarHBondContact N-O 2.88Å; K358-K398 PolarHBondContact O-N 3.41Å; W363-K398 HydrophobicContact CD2-CD 4.22Å; W363-K398 HydrophobicContact CE3-CB 4.32Å; W363-K398 HydrophobicContact CE3-CD 3.59Å; W363-K398 HydrophobicContact CE3-CG 3.96Å; W363-K398 HydrophobicContact CH2-CD 4.24Å; W363-K398 HydrophobicContact CH2-CG 4.23Å; W363-K398 HydrophobicContact CZ3-CB 4.11Å; W363-K398 HydrophobicContact CZ3-CD 3.61Å; W363-K398 HydrophobicContact CZ3-CG 3.53Å; K398-Y400 PolarHBondContact O-N 2.73Å
399L96.6Very high95.9Very high32 Ų3238.2 Ų38.217%0.16820%0.201CC..EExtended strand (participates in β ladder)trans-58.2133.9176.8-51.7-174.1000110.6F306 N310 G311 P313 L394F306-L399 HydrophobicContact CB-CD2 3.8Å; F306-L399 HydrophobicContact CD1-CD2 3.79Å; F306-L399 HydrophobicContact CG-CD2 4.28Å; F306-L399 WeakPolarHBondContact O-CA 3.5Å; F306-L399 WeakPolarHBondContact O-CB 3.45Å; F306-L399 VanDerWaalsContact O-CD2 3.27Å; F306-L399 WeakPolarHBondContact O-CD2 3.44Å; N310-L399 HydrophobicContact CB-CD1 4.23Å; G311-L399 WeakPolarHBondContact O-CD1 3.4Å; P313-L399 HydrophobicContact CG-CD1 3.76Å; P313-L399 HydrophobicContact CG-CG 4.16Å; L394-L399 HydrophobicContact CD1-CD2 4.3Å
400Y95.3Very high95.9Very high117 Ų11741.5 Ų41.546%0.45922%0.217SC..BIsolated β-bridgetrans-150.2-137.7-173.3-163.2-109.8000112.1F306 T307 G308 G356 K358 V365 K398F306-Y400 PolarHBondContact O-N 2.99Å; T307-Y400 CarbonylContact C-O 3.49Å; T307-Y400 WeakPolarHBondContact CA-O 3.27Å; T307-Y400 VanDerWaalsContact CB-O 3.26Å; T307-Y400 WeakPolarHBondContact CB-O 3.44Å; G308-Y400 PolarHBondContact N-O 3.2Å; G356-Y400 CarbonylContact O-C 3.6Å; G356-Y400 VanDerWaalsContact O-CA 3.31Å; G356-Y400 WeakPolarHBondContact O-CA 3.27Å; G356-Y400 PolarHBondContact O-N 2.78Å; K358-Y400 HydrophobicContact CD-CD1 4.41Å; K358-Y400 HydrophobicContact CD-CD2 4.18Å; K358-Y400 HydrophobicContact CD-CG 4.06Å; K358-Y400 HydrophobicContact CG-CD1 4.22Å; K358-Y400 HydrophobicContact CG-CG 4.03Å; K358-Y400 VanDerWaalsContact NZ-CE2 3.32Å; V365-Y400 HydrophobicContact CB-CD1 4.32Å; V365-Y400 HydrophobicContact CG1-CD1 4.07Å; V365-Y400 HydrophobicContact CG2-CD1 3.29Å; V365-Y400 HydrophobicContact CG2-CE1 3.47Å; V365-Y400 VanDerWaalsContact CG2-CE1 3.47Å; V365-Y400 HydrophobicContact CG2-CG 4.39Å; K398-Y400 PolarHBondContact O-N 2.73Å
401G91.4Very high95.9Very high16 Ų1643.6 Ų43.617%0.16523%0.227CC..  trans179.9-177.6177.400000111.2G356G356-G401 PolarHBondContact O-N 3.04Å
402P93.8Very high96.1Very high54 Ų5440.2 Ų40.235%0.35121%0.211SC..  cis-75.3173.12.129.8-37.5000115.5H367 N404 T440H367-P402 PolarHBondContact CE1-O 2.85Å; H367-P402 PolarHBondContact ND1-O 3.01Å; P402-N404 PolarHBondContact O-N 3.3Å; P402-T440 HydrophobicContact CB-CG2 3.66Å; P402-T440 WeakPolarHBondContact CB-OG1 3.43Å; P402-T440 HydrophobicContact CG-CG2 4.39Å
403T93.2Very high96.2Very high10 Ų1036 Ų366%0.06119%0.191CC..  trans-82101.3172.5-43.90000109.6D305 T307 F355 F405 V438 T440D305-T403 WeakPolarHBondContact OD2-CG2 3.47Å; T307-T403 HydrophobicContact CG2-CG2 4.37Å; T307-T403 WeakPolarHBondContact CG2-OG1 3.5Å; F355-T403 HydrophobicContact CE2-CG2 4.01Å; T403-F405 HydrophobicContact CG2-CE1 3.86Å; T403-F405 HydrophobicContact CG2-CZ 4.5Å; T403-V438 VanDerWaalsContact CB-O 3.26Å; T403-V438 WeakPolarHBondContact CB-O 3.47Å; T403-T440 PolarHBondContact O-N 3.27Å
404N95.2Very high96.3Very high25 Ų2540.4 Ų40.413%0.13421%0.212CC..  trans-123.3122.9-174.5-71.4-7.6000111.3H367 P402 D441H367-N404 HydrophobicContact CB-CB 4.47Å; H367-N404 PolarHBondContact CE1-ND2 2.78Å; P402-N404 PolarHBondContact O-N 3.3Å; N404-D441 VanDerWaalsContact CA-CG 3.46Å; N404-D441 WeakPolarHBondContact CA-OD1 3.49Å; N404-D441 WeakPolarHBondContact CA-OD2 3.27Å; N404-D441 HydrophobicContact CB-CB 4.24Å; N404-D441 VanDerWaalsContact CB-OD2 3.32Å; N404-D441 WeakPolarHBondContact CB-OD2 3.27Å; N404-D441 WeakPolarHBondContact OD1-CB 3.43Å
405F96.8Very high96.3Very high0 Ų043.6 Ų43.60%023%0.226CC..  trans-98.8-23.5-179.8-66-5.3000113.4F355 T403 P407 I408 I409 I433 T435 I439 D441 T445 I461 M472F355-F405 AromaticContact CE2-CD1 3.88Å; F355-F405 HydrophobicContact CE2-CD1 3.88Å; F355-F405 AromaticContact CE2-CE1 3.59Å; F355-F405 HydrophobicContact CE2-CE1 3.59Å; F355-F405 AromaticContact CZ-CD1 3.91Å; F355-F405 HydrophobicContact CZ-CD1 3.91Å; F355-F405 AromaticContact CZ-CE1 3.5Å; F355-F405 HydrophobicContact CZ-CE1 3.5Å; T403-F405 HydrophobicContact CG2-CE1 3.86Å; T403-F405 HydrophobicContact CG2-CZ 4.5Å; F405-P407 VanDerWaalsContact C-N 3.3Å; F405-I408 VanDerWaalsContact O-CG2 3.29Å; F405-I408 WeakPolarHBondContact O-CG2 3.32Å; F405-I408 PolarHBondContact O-N 3.03Å; F405-I409 HydrophobicContact CB-CD1 3.87Å; F405-I409 HydrophobicContact CB-CG1 4.47Å; F405-I409 WeakPolarHBondContact O-CG1 3.4Å; F405-I409 PolarHBondContact O-N 3.46Å; F405-I433 HydrophobicContact CB-CD1 4.29Å; F405-I433 HydrophobicContact CD1-CG2 4.14Å; F405-I433 HydrophobicContact CD2-CD1 3.98Å; F405-I433 HydrophobicContact CD2-CG2 4.39Å; F405-I433 HydrophobicContact CE1-CG2 3.79Å; F405-I433 HydrophobicContact CE2-CG2 4.03Å; F405-I433 HydrophobicContact CG-CD1 4.05Å; F405-I433 HydrophobicContact CG-CG2 4.46Å; F405-I433 HydrophobicContact CZ-CG2 3.75Å; F405-T435 HydrophobicContact CZ-CG2 3.78Å; F405-I439 HydrophobicContact CD2-CD1 3.62Å; F405-I439 HydrophobicContact CD2-CG1 3.94Å; F405-I439 HydrophobicContact CE2-CD1 3.45Å; F405-I439 VanDerWaalsContact CE2-CD1 3.45Å; F405-I439 HydrophobicContact CE2-CG1 3.58Å; F405-I439 HydrophobicContact CZ-CD1 4.27Å; F405-I439 HydrophobicContact CZ-CG1 3.89Å; F405-D441 PolarHBondContact N-OD1 3.47Å; F405-D441 PolarHBondContact N-OD2 3.26Å; F405-T445 HydrophobicContact CB-CG2 4.12Å; F405-I461 HydrophobicContact CD2-CD1 4.49Å; F405-I461 HydrophobicContact CE2-CD1 4.28Å; F405-I461 HydrophobicContact CE2-CG2 4.39Å; F405-M472 HydrophobicContact CE2-CE 4.38Å; F405-M472 HydrophobicContact CZ-CE 4.23Å
406A97.1Very high96.4Very high7 Ų738.7 Ų38.76%0.05819%0.194CC..Hα-helixtrans-55.5-39-176.200000113.4N410 D441 Q444 T445 A448A406-N410 WeakPolarHBondContact O-CB 3.37Å; A406-N410 PolarHBondContact O-N 2.98Å; A406-N410 PolarHBondContact O-ND2 2.96Å; A406-D441 WeakPolarHBondContact CB-OD2 3.47Å; A406-D441 PolarHBondContact N-OD2 3.23Å; A406-Q444 HydrophobicContact CB-CB 3.64Å; A406-T445 PolarHBondContact N-OG1 3.33Å; A406-A448 HydrophobicContact CB-CB 4.42Å
407P97.8Very high96.5Very high43 Ų4339.8 Ų39.828%0.27919%0.194SC..Hα-helixtrans-58.4-55177.9-2738.1000112.8H367 F405 I409 N410 H411H367-P407 HydrophobicContact CB-CB 4.29Å; H367-P407 HydrophobicContact CB-CG 3.85Å; F405-P407 VanDerWaalsContact C-N 3.3Å; P407-I409 PolarHBondContact O-N 3.49Å; P407-N410 PolarHBondContact O-N 3.03Å; P407-N410 VanDerWaalsContact O-N 3.17Å; P407-H411 PolarHBondContact O-N 2.76Å
408I97.6Very high96.5Very high1 Ų143.6 Ų43.61%0.00521%0.211CC..Hα-helixtrans-68.6-33.3-176.9-169.963.1000112.8A303 F353 E368 F405 H411 V412 L431 I433A303-I408 HydrophobicContact CB-CD1 4.49Å; A303-I408 HydrophobicContact CB-CG1 3.74Å; A303-I408 HydrophobicContact CB-CG2 4.43Å; F353-I408 HydrophobicContact CB-CD1 3.88Å; F353-I408 HydrophobicContact CD2-CD1 3.93Å; F353-I408 HydrophobicContact CG-CD1 3.92Å; E368-I408 HydrophobicContact CG-CD1 4.17Å; F405-I408 VanDerWaalsContact O-CG2 3.29Å; F405-I408 WeakPolarHBondContact O-CG2 3.32Å; F405-I408 PolarHBondContact O-N 3.03Å; I408-H411 HydrophobicContact CD1-CB 4.41Å; I408-H411 WeakPolarHBondContact O-CB 3.36Å; I408-H411 PolarHBondContact O-N 3.23Å; I408-V412 PolarHBondContact O-N 3.4Å; I408-L431 HydrophobicContact CG1-CD1 3.9Å; I408-L431 HydrophobicContact CG1-CD2 4.28Å; I408-L431 HydrophobicContact CG2-CD2 4.38Å; I408-I433 HydrophobicContact CG2-CD1 4.38Å
409I98.3Very high96.4Very high1 Ų138.8 Ų38.81%0.00519%0.192CC..Hα-helixtrans-63.1-46.3172.6-65.9168.6000110F405 P407 H411 V412 A413 L431 I433 T445 A448 I449 A452 I459F405-I409 HydrophobicContact CB-CD1 3.87Å; F405-I409 HydrophobicContact CB-CG1 4.47Å; F405-I409 WeakPolarHBondContact O-CG1 3.4Å; F405-I409 PolarHBondContact O-N 3.46Å; P407-I409 PolarHBondContact O-N 3.49Å; I409-H411 VanDerWaalsContact C-N 3.31Å; I409-H411 PolarHBondContact O-N 3.05Å; I409-V412 PolarHBondContact O-N 2.65Å; I409-A413 WeakPolarHBondContact O-CB 3.39Å; I409-A413 PolarHBondContact O-N 2.89Å; I409-L431 HydrophobicContact CB-CD2 4.48Å; I409-L431 HydrophobicContact CG1-CD2 3.93Å; I409-I433 HydrophobicContact CG1-CD1 4.25Å; I409-T445 HydrophobicContact CD1-CG2 4.01Å; I409-A448 HydrophobicContact CB-CB 4.1Å; I409-A448 HydrophobicContact CG2-CB 3.68Å; I409-I449 HydrophobicContact CD1-CD1 4.47Å; I409-I449 HydrophobicContact CD1-CG1 4.04Å; I409-A452 HydrophobicContact CG2-CB 4.45Å; I409-I459 HydrophobicContact CD1-CD1 4.15Å; I409-I459 HydrophobicContact CG1-CD1 4.09Å; I409-I459 HydrophobicContact CG2-CD1 3.9Å
410N98.4Very high96.3Very high76 Ų7639.9 Ų39.941%0.40620%0.197SC..Hα-helixtrans-65.9-34178.7-77.4-55.6000112.8A406 P407 H414A406-N410 WeakPolarHBondContact O-CB 3.37Å; A406-N410 PolarHBondContact O-N 2.98Å; A406-N410 PolarHBondContact O-ND2 2.96Å; P407-N410 PolarHBondContact O-N 3.03Å; P407-N410 VanDerWaalsContact O-N 3.17Å; N410-H414 PolarHBondContact O-N 3Å; N410-H414 VanDerWaalsContact O-N 3.08Å
411H97.4Very high96.2Very high44 Ų4441.4 Ų41.420%0.20421%0.209CC..Hα-helixtrans-57.7-56.2173.1-176.3123.6000110.7F353 E368 P407 I408 I409 A413 H414 F415F353-H411 AromaticContact CE1-CE1 3.89Å; F353-H411 AromaticContact CZ-CE1 3.51Å; F353-H411 AromaticContact CZ-NE2 3.65Å; E368-H411 IonicContact OE1-CE1 3.15Å; E368-H411 PolarHBondContact OE1-CE1 3.48Å; E368-H411 IonicContact OE1-CG 2.59Å; E368-H411 IonicContact OE1-ND1 2.86Å; E368-H411 PolarHBondContact OE1-ND1 3.5Å; E368-H411 WeakPolarHBondContact OE2-CB 3.46Å; E368-H411 IonicContact OE2-CG 3.22Å; E368-H411 IonicContact OE2-ND1 3.89Å; E368-H411 PolarHBondContact OE2-ND1 2.83Å; P407-H411 PolarHBondContact O-N 2.76Å; I408-H411 HydrophobicContact CD1-CB 4.41Å; I408-H411 WeakPolarHBondContact O-CB 3.36Å; I408-H411 PolarHBondContact O-N 3.23Å; I409-H411 VanDerWaalsContact C-N 3.31Å; I409-H411 PolarHBondContact O-N 3.05Å; H411-A413 VanDerWaalsContact C-N 3.32Å; H411-A413 PolarHBondContact O-N 2.97Å; H411-H414 WeakPolarHBondContact O-CB 3.31Å; H411-H414 PolarHBondContact O-N 2.89Å; H411-H414 VanDerWaalsContact O-N 3.09Å; H411-F415 AromaticContact CD2-CE2 3.47Å; H411-F415 VanDerWaalsContact CD2-CE2 3.47Å; H411-F415 WeakPolarHBondContact CD2-CE2 3.07Å; H411-F415 AromaticContact NE2-CE2 3.41Å; H411-F415 WeakPolarHBondContact NE2-CE2 3.44Å; H411-F415 AromaticContact NE2-CZ 3.76Å
412V98.1Very high96.3Very high0 Ų046.2 Ų46.20%023%0.227CC..Hα-helixtrans-70.2-32.6-177.7-177.90000111.5T301 I408 I409 H414 F415 G416 F429 L431 M457T301-V412 HydrophobicContact CG2-CG2 3.85Å; I408-V412 PolarHBondContact O-N 3.4Å; I409-V412 PolarHBondContact O-N 2.65Å; V412-H414 PolarHBondContact O-N 3.15Å; V412-F415 PolarHBondContact O-N 3.27Å; V412-F415 VanDerWaalsContact O-N 3.17Å; V412-G416 PolarHBondContact O-N 2.95Å; V412-G416 VanDerWaalsContact O-N 3.16Å; V412-F429 HydrophobicContact CG1-CB 3.79Å; V412-F429 HydrophobicContact CG1-CG 4.4Å; V412-L431 HydrophobicContact CG2-CB 4.33Å; V412-L431 HydrophobicContact CG2-CD1 4.12Å; V412-L431 HydrophobicContact CG2-CD2 4.29Å; V412-L431 HydrophobicContact CG2-CG 4.47Å; V412-M457 HydrophobicContact CB-CE 3.43Å; V412-M457 VanDerWaalsContact CB-CE 3.43Å; V412-M457 HydrophobicContact CB-SD 4.11Å; V412-M457 HydrophobicContact CG1-CE 3.44Å; V412-M457 VanDerWaalsContact CG1-CE 3.44Å; V412-M457 HydrophobicContact CG1-CG 4.4Å; V412-M457 HydrophobicContact CG1-SD 3.87Å; V412-M457 HydrophobicContact CG2-CE 4.43Å
413A98.2Very high96.1Very high3 Ų351.1 Ų51.13%0.02525%0.245CC..Hα-helixtrans-61-25172.500000112.9I409 H411 G416 R417 A452 L455 M457I409-A413 WeakPolarHBondContact O-CB 3.39Å; I409-A413 PolarHBondContact O-N 2.89Å; H411-A413 VanDerWaalsContact C-N 3.32Å; H411-A413 PolarHBondContact O-N 2.97Å; A413-G416 PolarHBondContact O-N 3.21Å; A413-R417 WeakPolarHBondContact O-CB 3.28Å; A413-R417 PolarHBondContact O-N 3.08Å; A413-A452 HydrophobicContact CB-CB 4.42Å; A413-L455 HydrophobicContact CB-CD1 3.78Å; A413-L455 VanDerWaalsContact O-CD1 3.24Å; A413-L455 WeakPolarHBondContact O-CD1 3.45Å; A413-M457 HydrophobicContact CB-SD 4.18Å
414H97.4Very high96.1Very high94 Ų9453.4 Ų53.444%0.43526%0.259SS..Hα-helixtrans-60.2-51.1173-178.370.4000111.1N410 H411 V412 G416 R417 E418N410-H414 PolarHBondContact O-N 3Å; N410-H414 VanDerWaalsContact O-N 3.08Å; H411-H414 WeakPolarHBondContact O-CB 3.31Å; H411-H414 PolarHBondContact O-N 2.89Å; H411-H414 VanDerWaalsContact O-N 3.09Å; V412-H414 PolarHBondContact O-N 3.15Å; H414-G416 VanDerWaalsContact C-N 3.34Å; H414-G416 PolarHBondContact O-N 2.93Å; H414-R417 WeakPolarHBondContact O-CB 3.49Å; H414-R417 PolarHBondContact O-N 2.86Å; H414-R417 VanDerWaalsContact O-N 3.08Å; H414-E418 IonicContact NE2-OE1 3.65Å; H414-E418 PolarHBondContact O-N 3.31Å; H414-E418 VanDerWaalsContact O-N 3.11Å
415F96.4Very high96Very high75 Ų7552.3 Ų52.333%0.32925%0.253SS..Hα-helixtrans-63.9-38.8177.6-55.6-60000112.3H411 V412 R417 E418 A419 F429H411-F415 AromaticContact CD2-CE2 3.47Å; H411-F415 VanDerWaalsContact CD2-CE2 3.47Å; H411-F415 WeakPolarHBondContact CD2-CE2 3.07Å; H411-F415 AromaticContact NE2-CE2 3.41Å; H411-F415 WeakPolarHBondContact NE2-CE2 3.44Å; H411-F415 AromaticContact NE2-CZ 3.76Å; V412-F415 PolarHBondContact O-N 3.27Å; V412-F415 VanDerWaalsContact O-N 3.17Å; F415-R417 VanDerWaalsContact C-N 3.26Å; F415-R417 PolarHBondContact O-N 3.14Å; F415-E418 PolarHBondContact O-N 2.54Å; F415-A419 PolarHBondContact O-N 3.13Å; F415-F429 HydrophobicContact CB-CD1 3.99Å; F415-F429 HydrophobicContact CB-CD2 4.47Å; F415-F429 HydrophobicContact CB-CE1 3.5Å; F415-F429 HydrophobicContact CB-CE2 4.03Å; F415-F429 HydrophobicContact CB-CG 4.46Å; F415-F429 HydrophobicContact CB-CZ 3.53Å; F415-F429 HydrophobicContact CG-CE1 4.3Å; F415-F429 WeakPolarHBondContact O-CE2 3.31Å
416G97.2Very high95.8Very high0 Ų053.7 Ų53.70%026%0.263CS..Hα-helixtrans-58.3-39.2172.700000112.5V412 A413 H414 A419 L420 P456V412-G416 PolarHBondContact O-N 2.95Å; V412-G416 VanDerWaalsContact O-N 3.16Å; A413-G416 PolarHBondContact O-N 3.21Å; H414-G416 VanDerWaalsContact C-N 3.34Å; H414-G416 PolarHBondContact O-N 2.93Å; G416-A419 PolarHBondContact O-N 3.48Å; G416-L420 WeakPolarHBondContact O-CB 3.36Å; G416-L420 PolarHBondContact O-N 3.37Å; G416-P456 WeakPolarHBondContact O-CD 3.39Å; G416-P456 WeakPolarHBondContact O-CG 3.36Å
417R97.2Very high95.7Very high115 Ų11555.4 Ų55.443%0.43427%0.27SS..Hα-helixtrans-67.2-39.4176.7-170.2176.3-62.91194.5112.3A413 H414 F415 L420 Q421 L455A413-R417 WeakPolarHBondContact O-CB 3.28Å; A413-R417 PolarHBondContact O-N 3.08Å; H414-R417 WeakPolarHBondContact O-CB 3.49Å; H414-R417 PolarHBondContact O-N 2.86Å; H414-R417 VanDerWaalsContact O-N 3.08Å; F415-R417 VanDerWaalsContact C-N 3.26Å; F415-R417 PolarHBondContact O-N 3.14Å; R417-L420 PolarHBondContact O-N 3.28Å; R417-Q421 WeakPolarHBondContact O-CG 3.46Å; R417-Q421 PolarHBondContact O-N 3.14Å; R417-L455 HydrophobicContact CB-CD1 4.43Å; R417-L455 HydrophobicContact CB-CD2 4.19Å
418E96.2Very high95.6Very high94 Ų9453.4 Ų53.444%0.43926%0.257SS..Hα-helixtrans-65.2-45.8175.1-65.2-171.2139.300111.5H414 F415 L420 Q421H414-E418 IonicContact NE2-OE1 3.65Å; H414-E418 PolarHBondContact O-N 3.31Å; H414-E418 VanDerWaalsContact O-N 3.11Å; F415-E418 PolarHBondContact O-N 2.54Å; E418-L420 VanDerWaalsContact C-N 3.32Å; E418-L420 PolarHBondContact O-N 3.39Å; E418-Q421 WeakPolarHBondContact O-CB 3.38Å; E418-Q421 PolarHBondContact O-N 3.4Å; E418-Q421 VanDerWaalsContact O-N 3.13Å
419A95.3Very high95.6Very high8 Ų854.3 Ų54.37%0.06626%0.261CS..Hα-helixtrans-61.7-38.6176.700000112.5F415 G416 Q421 Q422 Q427 F429 P456F415-A419 PolarHBondContact O-N 3.13Å; G416-A419 PolarHBondContact O-N 3.48Å; A419-Q421 PolarHBondContact O-N 3Å; A419-Q422 WeakPolarHBondContact O-CB 3.29Å; A419-Q422 PolarHBondContact O-N 2.93Å; A419-Q422 VanDerWaalsContact O-N 3.08Å; A419-Q427 HydrophobicContact CB-CB 4.1Å; A419-F429 HydrophobicContact CB-CE2 3.73Å; A419-F429 HydrophobicContact CB-CZ 4.44Å; A419-P456 HydrophobicContact CB-CG 3.98Å
420L94.2Very high95.5Very high55 Ų5554.2 Ų54.229%0.28826%0.26SS..Hα-helixtrans-60.1-34.1175.9-179.364.1000112.5G416 R417 E418 Q422 Q423 L455 F526G416-L420 WeakPolarHBondContact O-CB 3.36Å; G416-L420 PolarHBondContact O-N 3.37Å; R417-L420 PolarHBondContact O-N 3.28Å; E418-L420 VanDerWaalsContact C-N 3.32Å; E418-L420 PolarHBondContact O-N 3.39Å; L420-Q422 VanDerWaalsContact C-N 3.26Å; L420-Q422 PolarHBondContact O-N 2.97Å; L420-Q423 PolarHBondContact O-N 2.94Å; L420-L455 HydrophobicContact CD2-CD2 3.92Å; L420-F526 HydrophobicContact CD1-CZ 4.04Å
421Q93.7Very high95.4Very high149 Ų14950.6 Ų50.670%0.69624%0.241SC*.Hα-helixtrans-68.9-25.3177.8-68174.67.200112.9R417 E418 A419 Q423R417-Q421 WeakPolarHBondContact O-CG 3.46Å; R417-Q421 PolarHBondContact O-N 3.14Å; E418-Q421 WeakPolarHBondContact O-CB 3.38Å; E418-Q421 PolarHBondContact O-N 3.4Å; E418-Q421 VanDerWaalsContact O-N 3.13Å; A419-Q421 PolarHBondContact O-N 3Å; Q421-Q423 PolarHBondContact O-N 3.22Å
422Q92.1Very high95.4Very high117 Ų11748.5 Ų48.555%0.54723%0.231SC..Hα-helixtrans-70.4-20177.7-59178.111.300112.1A419 L420 T424A419-Q422 WeakPolarHBondContact O-CB 3.29Å; A419-Q422 PolarHBondContact O-N 2.93Å; A419-Q422 VanDerWaalsContact O-N 3.08Å; L420-Q422 VanDerWaalsContact C-N 3.26Å; L420-Q422 PolarHBondContact O-N 2.97Å; Q422-T424 PolarHBondContact O-N 3.33Å
423Q90.4Very high95.4Very high156 Ų15648.5 Ų48.573%0.72923%0.231SC*.THydrogen-bonded Turntrans54.332.9-178.1-59-169.2-28.100113.6L420 Q421 L532L420-Q423 PolarHBondContact O-N 2.94Å; Q421-Q423 PolarHBondContact O-N 3.22Å; Q423-L532 WeakPolarHBondContact O-CD2 3.32Å
424T93.3Very high95.4Very high59 Ų5948.4 Ų48.436%0.36223%0.23SC..SBendtrans-122.5152.9174.462.20000110.3Q422 S426Q422-T424 PolarHBondContact O-N 3.33Å; T424-S426 VanDerWaalsContact CB-OG 3.28Å; T424-S426 WeakPolarHBondContact CB-OG 3.19Å; T424-S426 PolarHBondContact O-N 2.92Å; T424-S426 WeakPolarHBondContact OG1-CB 3.32Å; T424-S426 PolarHBondContact OG1-OG 2.84Å
425A94.1Very high95.3Very high1 Ų143.9 Ų43.91%0.00821%0.209CC..SBendtrans-86.642.8171.500000111.5Y291 C296 F527 L532 K533 P535Y291-A425 HydrophobicContact CD1-CB 3.71Å; Y291-A425 HydrophobicContact CE1-CB 3.71Å; C296-A425 VanDerWaalsContact CB-O 3.23Å; C296-A425 WeakPolarHBondContact CB-O 3.25Å; C296-A425 PolarHBondContact SG-O 3.01Å; C296-A425 VanDerWaalsContact SG-O 3.36Å; A425-F527 HydrophobicContact CB-CD1 3.65Å; A425-F527 HydrophobicContact CB-CD2 4.13Å; A425-F527 HydrophobicContact CB-CE1 3.64Å; A425-F527 HydrophobicContact CB-CE2 4.09Å; A425-F527 HydrophobicContact CB-CG 3.93Å; A425-F527 HydrophobicContact CB-CZ 3.86Å; A425-L532 HydrophobicContact CB-CB 4.14Å; A425-K533 VanDerWaalsContact CB-O 3.25Å; A425-K533 WeakPolarHBondContact CB-O 3.46Å; A425-P535 WeakPolarHBondContact O-CD 3.21Å; A425-P535 WeakPolarHBondContact O-CG 3.45Å
426S92.4Very high95Very high30 Ų3040.9 Ų40.921%0.2120%0.197CC..SBendtrans-87.4-25.8-172.7-57.20000113.3Q297 T424Q297-S426 PolarHBondContact N-O 3.36Å; T424-S426 VanDerWaalsContact CB-OG 3.28Å; T424-S426 WeakPolarHBondContact CB-OG 3.19Å; T424-S426 PolarHBondContact O-N 2.92Å; T424-S426 WeakPolarHBondContact OG1-CB 3.32Å; T424-S426 PolarHBondContact OG1-OG 2.84Å
427Q94.2Very high94Very high43 Ų4341 Ų4120%0.20120%0.198CC..EExtended strand (participates in β ladder)trans-140.9133.8-169.2-58.5-72.6-68.300109.5N299 A419 F429N299-Q427 PolarHBondContact ND2-OE1 3.17Å; N299-Q427 PolarHBondContact OD1-OE1 3.3Å; A419-Q427 HydrophobicContact CB-CB 4.1Å; Q427-F429 HydrophobicContact CB-CE2 4.18Å; Q427-F429 HydrophobicContact CB-CZ 4.29Å
428Y96Very high93Very high0 Ų039.8 Ų39.80%020%0.203CC..EExtended strand (participates in β ladder)trans-134.3141168.4-165.8-85.6000108.8Q297 I298 N299 V430 P456 M457 S458 R492 L519 V523 F526 F527Q297-Y428 PolarHBondContact O-N 2.83Å; I298-Y428 CarbonylContact C-O 3.55Å; I298-Y428 WeakPolarHBondContact CA-O 3.41Å; N299-Y428 PolarHBondContact N-O 3.05Å; Y428-V430 HydrophobicContact CD1-CG2 4.12Å; Y428-V430 HydrophobicContact CE1-CG2 4.28Å; Y428-P456 HydrophobicContact CD2-CB 3.89Å; Y428-P456 HydrophobicContact CE2-CB 4.37Å; Y428-M457 PolarHBondContact OH-O 3.25Å; Y428-S458 WeakPolarHBondContact CE1-OG 3.38Å; Y428-S458 PolarHBondContact OH-OG 3Å; Y428-R492 PolarHBondContact OH-NH1 3.08Å; Y428-R492 VanDerWaalsContact OH-NH1 3.11Å; Y428-L519 HydrophobicContact CE1-CD1 4.01Å; Y428-V523 HydrophobicContact CD1-CG2 3.68Å; Y428-V523 HydrophobicContact CD2-CB 4.47Å; Y428-V523 HydrophobicContact CD2-CG1 4.37Å; Y428-V523 HydrophobicContact CD2-CG2 4.04Å; Y428-V523 HydrophobicContact CE1-CG2 3.64Å; Y428-V523 HydrophobicContact CE2-CB 4.38Å; Y428-V523 HydrophobicContact CE2-CG2 4.02Å; Y428-V523 HydrophobicContact CG-CG2 3.88Å; Y428-F526 HydrophobicContact CD2-CD1 4.44Å; Y428-F526 HydrophobicContact CE2-CB 4.04Å; Y428-F526 HydrophobicContact CE2-CD1 4.28Å; Y428-F526 HydrophobicContact CE2-CG 4.23Å; Y428-F527 HydrophobicContact CD2-CE2 4.32Å; Y428-F527 HydrophobicContact CD2-CZ 4.12Å
429F96.8Very high92.7Very high20 Ų2035.9 Ų35.99%0.08819%0.186CC..EExtended strand (participates in β ladder)trans-109.9138.4-174.3-61.7-87.8000111.2N299 V412 F415 A419 Q427 P456 M457 S458N299-F429 HydrophobicContact CB-CD1 3.57Å; N299-F429 HydrophobicContact CB-CE1 3.78Å; N299-F429 HydrophobicContact CB-CG 4.42Å; N299-F429 CarbonylContact O-C 3.58Å; N299-F429 WeakPolarHBondContact O-CA 3.36Å; V412-F429 HydrophobicContact CG1-CB 3.79Å; V412-F429 HydrophobicContact CG1-CG 4.4Å; F415-F429 HydrophobicContact CB-CD1 3.99Å; F415-F429 HydrophobicContact CB-CD2 4.47Å; F415-F429 HydrophobicContact CB-CE1 3.5Å; F415-F429 HydrophobicContact CB-CE2 4.03Å; F415-F429 HydrophobicContact CB-CG 4.46Å; F415-F429 HydrophobicContact CB-CZ 3.53Å; F415-F429 HydrophobicContact CG-CE1 4.3Å; F415-F429 WeakPolarHBondContact O-CE2 3.31Å; A419-F429 HydrophobicContact CB-CE2 3.73Å; A419-F429 HydrophobicContact CB-CZ 4.44Å; Q427-F429 HydrophobicContact CB-CE2 4.18Å; Q427-F429 HydrophobicContact CB-CZ 4.29Å; F429-P456 PolarHBondContact N-O 3.26Å; F429-M457 HydrophobicContact CB-CB 4.45Å; F429-M457 HydrophobicContact CB-CG 4.35Å; F429-M457 CarbonylContact O-C 3.51Å; F429-M457 WeakPolarHBondContact O-CA 3.13Å; F429-S458 PolarHBondContact O-N 2.8Å
430V96.1Very high92.5Very high0 Ų039.7 Ų39.70%021%0.208CC..EExtended strand (participates in β ladder)trans-127.8123.4176.3-175.30000108.3I298 N299 F300 T301 Y428 S458 I460 L519I298-V430 HydrophobicContact CG2-CG2 3.64Å; N299-V430 PolarHBondContact O-N 2.82Å; F300-V430 CarbonylContact C-O 3.6Å; F300-V430 WeakPolarHBondContact CA-O 3.38Å; F300-V430 HydrophobicContact CD2-CB 3.57Å; F300-V430 HydrophobicContact CD2-CG1 3.61Å; F300-V430 HydrophobicContact CE2-CB 3.95Å; F300-V430 HydrophobicContact CE2-CG1 3.41Å; F300-V430 VanDerWaalsContact CE2-CG1 3.41Å; F300-V430 HydrophobicContact CG-CB 4.49Å; F300-V430 HydrophobicContact CZ-CG1 4.45Å; T301-V430 PolarHBondContact N-O 2.63Å; Y428-V430 HydrophobicContact CD1-CG2 4.12Å; Y428-V430 HydrophobicContact CE1-CG2 4.28Å; V430-S458 WeakPolarHBondContact CA-O 3.34Å; V430-I460 HydrophobicContact CG1-CD1 3.76Å; V430-I460 HydrophobicContact CG1-CG1 4.23Å; V430-L519 HydrophobicContact CG1-CD2 4.36Å; V430-L519 HydrophobicContact CG2-CD1 3.65Å; V430-L519 HydrophobicContact CG2-CD2 3.87Å; V430-L519 HydrophobicContact CG2-CG 4.42Å
431L97.6Very high92.4Very high0 Ų037.6 Ų37.60%020%0.197CC..EExtended strand (participates in β ladder)trans-105114.3175.9171.259000109.2T301 A303 I408 I409 V412 I433 M457 S458 I459 I460T301-L431 HydrophobicContact CG2-CD1 4.09Å; T301-L431 WeakPolarHBondContact O-CA 3.47Å; A303-L431 HydrophobicContact CB-CD1 3.83Å; I408-L431 HydrophobicContact CG1-CD1 3.9Å; I408-L431 HydrophobicContact CG1-CD2 4.28Å; I408-L431 HydrophobicContact CG2-CD2 4.38Å; I409-L431 HydrophobicContact CB-CD2 4.48Å; I409-L431 HydrophobicContact CG1-CD2 3.93Å; V412-L431 HydrophobicContact CG2-CB 4.33Å; V412-L431 HydrophobicContact CG2-CD1 4.12Å; V412-L431 HydrophobicContact CG2-CD2 4.29Å; V412-L431 HydrophobicContact CG2-CG 4.47Å; L431-I433 HydrophobicContact CD1-CG1 4.26Å; L431-I433 HydrophobicContact CD2-CD1 4.05Å; L431-I433 HydrophobicContact CD2-CG1 4.13Å; L431-I433 HydrophobicContact CG-CD1 4.32Å; L431-I433 HydrophobicContact CG-CG1 3.86Å; L431-M457 HydrophobicContact CB-CE 3.64Å; L431-M457 HydrophobicContact CD2-CE 3.89Å; L431-M457 HydrophobicContact CG-CE 4.43Å; L431-S458 PolarHBondContact N-O 2.8Å; L431-I459 CarbonylContact O-C 3.45Å; L431-I459 WeakPolarHBondContact O-CA 3.28Å; L431-I460 PolarHBondContact O-N 3.4Å
432L96.9Very high92.4Very high0 Ų032.4 Ų32.40%017%0.173CC..EExtended strand (participates in β ladder)trans-92.5116.9169.2172.465.8000110F300 T301 I302 A303 V337 I434 I460 V462F300-L432 HydrophobicContact CE1-CB 3.46Å; F300-L432 VanDerWaalsContact CE1-CB 3.46Å; F300-L432 HydrophobicContact CE1-CD2 3.76Å; F300-L432 HydrophobicContact CE1-CG 4.24Å; F300-L432 HydrophobicContact CE2-CB 4.36Å; F300-L432 HydrophobicContact CZ-CB 3.34Å; F300-L432 HydrophobicContact CZ-CD2 3.84Å; F300-L432 HydrophobicContact CZ-CG 4.13Å; T301-L432 PolarHBondContact O-N 2.91Å; I302-L432 HydrophobicContact CG1-CD2 4.5Å; A303-L432 PolarHBondContact N-O 3.08Å; V337-L432 HydrophobicContact CB-CD2 4.12Å; V337-L432 HydrophobicContact CG1-CD2 4.14Å; V337-L432 HydrophobicContact CG2-CD2 4.47Å; L432-I434 HydrophobicContact CD1-CG1 4.27Å; L432-I434 HydrophobicContact CD2-CD1 4.13Å; L432-I434 HydrophobicContact CD2-CG1 4.28Å; L432-I434 HydrophobicContact CG-CD1 4.4Å; L432-I434 HydrophobicContact CG-CG1 4.01Å; L432-I460 CarbonylContact C-O 3.52Å; L432-I460 WeakPolarHBondContact CA-O 3.29Å; L432-I460 HydrophobicContact CD1-CB 4.13Å; L432-I460 HydrophobicContact CD1-CG2 3.56Å; L432-V462 HydrophobicContact CD1-CG2 3.74Å
433I97.6Very high92.4Very high0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-104126.2172.8-53.1-178.2000108.1A303 F355 F405 I408 I409 L431 I459 I460 I461 V462A303-I433 HydrophobicContact CB-CG1 4.3Å; A303-I433 WeakPolarHBondContact O-CA 3.4Å; F355-I433 HydrophobicContact CE1-CG2 4.01Å; F355-I433 HydrophobicContact CZ-CG2 3.95Å; F405-I433 HydrophobicContact CB-CD1 4.29Å; F405-I433 HydrophobicContact CD1-CG2 4.14Å; F405-I433 HydrophobicContact CD2-CD1 3.98Å; F405-I433 HydrophobicContact CD2-CG2 4.39Å; F405-I433 HydrophobicContact CE1-CG2 3.79Å; F405-I433 HydrophobicContact CE2-CG2 4.03Å; F405-I433 HydrophobicContact CG-CD1 4.05Å; F405-I433 HydrophobicContact CG-CG2 4.46Å; F405-I433 HydrophobicContact CZ-CG2 3.75Å; I408-I433 HydrophobicContact CG2-CD1 4.38Å; I409-I433 HydrophobicContact CG1-CD1 4.25Å; L431-I433 HydrophobicContact CD1-CG1 4.26Å; L431-I433 HydrophobicContact CD2-CD1 4.05Å; L431-I433 HydrophobicContact CD2-CG1 4.13Å; L431-I433 HydrophobicContact CG-CD1 4.32Å; L431-I433 HydrophobicContact CG-CG1 3.86Å; I433-I459 HydrophobicContact CD1-CG2 4.07Å; I433-I459 HydrophobicContact CG1-CG2 4.48Å; I433-I460 PolarHBondContact N-O 2.73Å; I433-I461 HydrophobicContact CB-CG1 4.39Å; I433-I461 CarbonylContact O-C 3.55Å; I433-I461 WeakPolarHBondContact O-CA 3.32Å; I433-V462 PolarHBondContact O-N 2.92Å
434I97.4Very high92.7Very high0 Ų027.7 Ų27.70%015%0.153CC..EExtended strand (participates in β ladder)trans-115.9124.9173.2-47.4171.7000107.4A303 D305 Y330 A333 I334 L432 V462 V464A303-I434 PolarHBondContact O-N 3.3Å; D305-I434 WeakPolarHBondContact CB-O 3.29Å; D305-I434 PolarHBondContact N-O 3.14Å; Y330-I434 HydrophobicContact CD1-CB 3.86Å; Y330-I434 HydrophobicContact CD1-CG2 3.35Å; Y330-I434 HydrophobicContact CE1-CB 4.03Å; Y330-I434 HydrophobicContact CE1-CG2 3.61Å; Y330-I434 HydrophobicContact CG-CG2 4.21Å; A333-I434 HydrophobicContact CB-CD1 3.99Å; A333-I434 HydrophobicContact CB-CG2 4.35Å; I334-I434 HydrophobicContact CD1-CD1 4.24Å; I334-I434 HydrophobicContact CG1-CD1 3.41Å; I334-I434 VanDerWaalsContact CG1-CD1 3.41Å; L432-I434 HydrophobicContact CD1-CG1 4.27Å; L432-I434 HydrophobicContact CD2-CD1 4.13Å; L432-I434 HydrophobicContact CD2-CG1 4.28Å; L432-I434 HydrophobicContact CG-CD1 4.4Å; L432-I434 HydrophobicContact CG-CG1 4.01Å; I434-V462 WeakPolarHBondContact CA-O 3.38Å; I434-V462 HydrophobicContact CG1-CB 4.49Å; I434-V462 HydrophobicContact CG2-CB 4.49Å; I434-V464 HydrophobicContact CG2-CG1 3.76Å
435T95.9Very high92.8Very high0 Ų024.9 Ų24.90%014%0.136CC..EExtended strand (participates in β ladder)trans-146.3150-169.7-176.70000111.4D305 F405 G437 I461 V462 G463 V464 M472D305-T435 WeakPolarHBondContact OD2-CB 3.29Å; D305-T435 PolarHBondContact OD2-OG1 2.69Å; F405-T435 HydrophobicContact CZ-CG2 3.78Å; T435-G437 PolarHBondContact OG1-N 3.19Å; T435-I461 HydrophobicContact CG2-CG2 4.12Å; T435-V462 PolarHBondContact N-O 2.92Å; T435-V462 VanDerWaalsContact N-O 3.11Å; T435-G463 CarbonylContact O-C 3.56Å; T435-G463 WeakPolarHBondContact O-CA 3.43Å; T435-V464 WeakPolarHBondContact O-CG2 3.35Å; T435-V464 PolarHBondContact O-N 3.05Å; T435-M472 HydrophobicContact CG2-CE 3.82Å
436D91.4Very high92.9Very high11 Ų1127.1 Ų27.16%0.05914%0.144CC..SBendtrans-92.2-3.6173.872.5-45000114.6S309 N310 L319 Y330 V464 A467S309-D436 WeakPolarHBondContact CB-OD2 3.16Å; S309-D436 VanDerWaalsContact OG-CG 3.3Å; S309-D436 PolarHBondContact OG-OD1 3.11Å; S309-D436 PolarHBondContact OG-OD2 2.91Å; N310-D436 PolarHBondContact N-OD2 2.93Å; N310-D436 VanDerWaalsContact N-OD2 3.11Å; N310-D436 VanDerWaalsContact ND2-CG 3.25Å; N310-D436 PolarHBondContact ND2-OD1 3.12Å; N310-D436 VanDerWaalsContact OD1-CB 3.25Å; N310-D436 WeakPolarHBondContact OD1-CB 3.34Å; L319-D436 HydrophobicContact CD1-CB 3.28Å; Y330-D436 PolarHBondContact OH-N 3.22Å; D436-V464 WeakPolarHBondContact CA-O 3.35Å; D436-V464 HydrophobicContact CB-CG2 4.05Å; D436-A467 WeakPolarHBondContact O-CB 3.43Å
437G74.9Confident93Very high4 Ų427.9 Ų27.94%0.04115%0.146CC..SBendtrans126.7168.4165.800000115.6T435T435-G437 PolarHBondContact OG1-N 3.19Å
438V77.6Confident93.2Very high89 Ų8926 Ų2654%0.53914%0.137SC..  trans60.790.9179.5-166.50000114.9T403 T440T403-V438 VanDerWaalsContact CB-O 3.26Å; T403-V438 WeakPolarHBondContact CB-O 3.47Å; V438-T440 PolarHBondContact O-N 2.93Å
439I88.7Confident93.2Very high12 Ų1226.1 Ų26.16%0.06214%0.138CC..  trans-68.3125.6169.1-54.1172.6000109.2F405 D441 M442 M472 L475F405-I439 HydrophobicContact CD2-CD1 3.62Å; F405-I439 HydrophobicContact CD2-CG1 3.94Å; F405-I439 HydrophobicContact CE2-CD1 3.45Å; F405-I439 VanDerWaalsContact CE2-CD1 3.45Å; F405-I439 HydrophobicContact CE2-CG1 3.58Å; F405-I439 HydrophobicContact CZ-CD1 4.27Å; F405-I439 HydrophobicContact CZ-CG1 3.89Å; I439-D441 WeakPolarHBondContact CG2-OD1 3.27Å; I439-M442 HydrophobicContact CB-CE 4.2Å; I439-M442 HydrophobicContact CD1-CE 4.16Å; I439-M472 HydrophobicContact CD1-CE 4.04Å; I439-M472 HydrophobicContact CD1-CG 4.44Å; I439-M472 HydrophobicContact CD1-SD 4.24Å; I439-M472 HydrophobicContact CG1-CE 3.57Å; I439-M472 HydrophobicContact CG1-SD 4.22Å; I439-L475 HydrophobicContact CD1-CD1 3.39Å
440T90.6Very high93.2Very high87 Ų8725.2 Ų25.253%0.53413%0.134SC..SBendtrans-88.8-32.6178-53.40000112P402 T403 V438 M442P402-T440 HydrophobicContact CB-CG2 3.66Å; P402-T440 WeakPolarHBondContact CB-OG1 3.43Å; P402-T440 HydrophobicContact CG-CG2 4.39Å; T403-T440 PolarHBondContact O-N 3.27Å; V438-T440 PolarHBondContact O-N 2.93Å; T440-M442 PolarHBondContact O-N 3.12Å
441D93.6Very high93.2Very high11 Ų1129 Ų296%0.05916%0.155CC..  trans-96.642.5-178.871.8-16.9000113.1N404 F405 A406 I439 D443 Q444 T445N404-D441 VanDerWaalsContact CA-CG 3.46Å; N404-D441 WeakPolarHBondContact CA-OD1 3.49Å; N404-D441 WeakPolarHBondContact CA-OD2 3.27Å; N404-D441 HydrophobicContact CB-CB 4.24Å; N404-D441 VanDerWaalsContact CB-OD2 3.32Å; N404-D441 WeakPolarHBondContact CB-OD2 3.27Å; N404-D441 WeakPolarHBondContact OD1-CB 3.43Å; F405-D441 PolarHBondContact N-OD1 3.47Å; F405-D441 PolarHBondContact N-OD2 3.26Å; A406-D441 WeakPolarHBondContact CB-OD2 3.47Å; A406-D441 PolarHBondContact N-OD2 3.23Å; I439-D441 WeakPolarHBondContact CG2-OD1 3.27Å; D441-D443 VanDerWaalsContact C-N 3.27Å; D441-D443 PolarHBondContact O-N 3.32Å; D441-D443 VanDerWaalsContact O-N 3.15Å; D441-Q444 HydrophobicContact CB-CB 4.19Å; D441-Q444 PolarHBondContact O-N 2.9Å; D441-Q444 VanDerWaalsContact O-N 3.08Å; D441-Q444 PolarHBondContact O-OE1 3.42Å; D441-T445 WeakPolarHBondContact O-CB 3.5Å; D441-T445 PolarHBondContact O-N 3.29Å; D441-T445 PolarHBondContact O-OG1 3Å; D441-T445 PolarHBondContact OD1-OG1 2.81Å
442M92.1Very high93.2Very high41 Ų4129 Ų2920%0.20216%0.155CC..Hα-helixtrans-50-45.5-172.617955.371.400113I439 T440 T445 R446 A471 L475I439-M442 HydrophobicContact CB-CE 4.2Å; I439-M442 HydrophobicContact CD1-CE 4.16Å; T440-M442 PolarHBondContact O-N 3.12Å; M442-T445 PolarHBondContact O-N 2.94Å; M442-R446 WeakPolarHBondContact O-CB 3.49Å; M442-R446 VanDerWaalsContact O-CG 3.24Å; M442-R446 WeakPolarHBondContact O-CG 3.41Å; M442-R446 PolarHBondContact O-N 3.29Å; M442-R446 HydrophobicContact SD-CG 4.14Å; M442-A471 HydrophobicContact CE-CB 3.53Å; M442-L475 HydrophobicContact SD-CD2 3.91Å; M442-L475 HydrophobicContact SD-CG 4.36Å
443D93.4Very high93.2Very high65 Ų6529.1 Ų29.135%0.34816%0.155SC..Hα-helixtrans-68.2-41-178.3-76.7-25.1000113.1D441 T445 R446 N447 L485D441-D443 VanDerWaalsContact C-N 3.27Å; D441-D443 PolarHBondContact O-N 3.32Å; D441-D443 VanDerWaalsContact O-N 3.15Å; D443-T445 VanDerWaalsContact C-N 3.35Å; D443-R446 IonicContact OD1-NH1 3.36Å; D443-N447 VanDerWaalsContact O-CG 3.23Å; D443-N447 PolarHBondContact O-N 2.84Å; D443-N447 PolarHBondContact O-ND2 3.2Å; D443-L485 HydrophobicContact CB-CD1 3.64Å; D443-L485 HydrophobicContact CB-CD2 4.1Å; D443-L485 HydrophobicContact CB-CG 3.87Å; D443-L485 VanDerWaalsContact CG-CD2 3.49Å; D443-L485 WeakPolarHBondContact OD1-CD2 3.29Å
444Q96Very high93.1Very high109 Ų10934.6 Ų34.651%0.50918%0.176SC..Hα-helixtrans-66.6-41.2175.5-63.981.8-1000110.4A406 D441 N447 A448A406-Q444 HydrophobicContact CB-CB 3.64Å; D441-Q444 HydrophobicContact CB-CB 4.19Å; D441-Q444 PolarHBondContact O-N 2.9Å; D441-Q444 VanDerWaalsContact O-N 3.08Å; D441-Q444 PolarHBondContact O-OE1 3.42Å; Q444-N447 PolarHBondContact O-N 3.09Å; Q444-A448 WeakPolarHBondContact O-CB 3.38Å; Q444-A448 PolarHBondContact O-N 2.83Å
445T95.9Very high93.2Very high0 Ų035 Ų350%018%0.178CC..Hα-helixtrans-62.1-46176.3-71.70000110.9F405 A406 I409 D441 M442 D443 N447 A448 I449 L475F405-T445 HydrophobicContact CB-CG2 4.12Å; A406-T445 PolarHBondContact N-OG1 3.33Å; I409-T445 HydrophobicContact CD1-CG2 4.01Å; D441-T445 WeakPolarHBondContact O-CB 3.5Å; D441-T445 PolarHBondContact O-N 3.29Å; D441-T445 PolarHBondContact O-OG1 3Å; D441-T445 PolarHBondContact OD1-OG1 2.81Å; M442-T445 PolarHBondContact O-N 2.94Å; D443-T445 VanDerWaalsContact C-N 3.35Å; T445-N447 PolarHBondContact O-N 3.09Å; T445-A448 WeakPolarHBondContact O-CB 3.47Å; T445-A448 PolarHBondContact O-N 3.38Å; T445-A448 VanDerWaalsContact O-N 3.17Å; T445-I449 HydrophobicContact CG2-CD1 3.74Å; T445-I449 HydrophobicContact CG2-CG1 4.48Å; T445-I449 VanDerWaalsContact O-CG1 3.3Å; T445-I449 WeakPolarHBondContact O-CG1 3.29Å; T445-I449 PolarHBondContact O-N 2.86Å; T445-L475 HydrophobicContact CG2-CD1 3.88Å
446R95.2Very high93.3Very high47 Ų4735.1 Ų35.118%0.17718%0.179CC..Hα-helixtrans-57.2-46.8173-74171.565.7-1692.7112.2M442 D443 A448 I449 V450 F474 L475 L482 R483M442-R446 WeakPolarHBondContact O-CB 3.49Å; M442-R446 VanDerWaalsContact O-CG 3.24Å; M442-R446 WeakPolarHBondContact O-CG 3.41Å; M442-R446 PolarHBondContact O-N 3.29Å; M442-R446 HydrophobicContact SD-CG 4.14Å; D443-R446 IonicContact OD1-NH1 3.36Å; R446-A448 VanDerWaalsContact C-N 3.32Å; R446-A448 PolarHBondContact O-N 2.99Å; R446-I449 PolarHBondContact O-N 2.83Å; R446-V450 WeakPolarHBondContact O-CB 3.33Å; R446-V450 VanDerWaalsContact O-CG2 3.29Å; R446-V450 WeakPolarHBondContact O-CG2 3.41Å; R446-V450 PolarHBondContact O-N 3.31Å; R446-F474 HydrophobicContact CG-CE1 4.45Å; R446-L475 HydrophobicContact CG-CD2 4.02Å; R446-L482 HydrophobicContact CG-CD1 4.26Å; R446-R483 PolarHBondContact NE-O 2.89Å; R446-R483 PolarHBondContact NH2-O 2.85Å
447N96.1Very high93.5Very high47 Ų4734.6 Ų34.625%0.25118%0.176SC..Hα-helixtrans-62.9-40.5177.8-68.9-25.4000111.6D443 Q444 T445 N451 S484 L485D443-N447 VanDerWaalsContact O-CG 3.23Å; D443-N447 PolarHBondContact O-N 2.84Å; D443-N447 PolarHBondContact O-ND2 3.2Å; Q444-N447 PolarHBondContact O-N 3.09Å; T445-N447 PolarHBondContact O-N 3.09Å; N447-N451 WeakPolarHBondContact O-CB 3.13Å; N447-N451 PolarHBondContact O-N 2.99Å; N447-N451 PolarHBondContact O-ND2 3.29Å; N447-N451 VanDerWaalsContact O-ND2 3.13Å; N447-S484 VanDerWaalsContact OD1-CB 3.28Å; N447-S484 WeakPolarHBondContact OD1-CB 3.44Å; N447-L485 PolarHBondContact OD1-N 2.95Å
448A97.4Very high94.6Very high2 Ų234.4 Ų34.42%0.01717%0.174CC..Hα-helixtrans-63.8-44.8177.300000111.6A406 I409 Q444 T445 R446 N451 A452A406-A448 HydrophobicContact CB-CB 4.42Å; I409-A448 HydrophobicContact CB-CB 4.1Å; I409-A448 HydrophobicContact CG2-CB 3.68Å; Q444-A448 WeakPolarHBondContact O-CB 3.38Å; Q444-A448 PolarHBondContact O-N 2.83Å; T445-A448 WeakPolarHBondContact O-CB 3.47Å; T445-A448 PolarHBondContact O-N 3.38Å; T445-A448 VanDerWaalsContact O-N 3.17Å; R446-A448 VanDerWaalsContact C-N 3.32Å; R446-A448 PolarHBondContact O-N 2.99Å; A448-N451 PolarHBondContact O-N 3.42Å; A448-A452 VanDerWaalsContact O-CB 3.25Å; A448-A452 WeakPolarHBondContact O-CB 3.36Å; A448-A452 PolarHBondContact O-N 2.9Å
449I96.9Very high95.5Very high4 Ų430.2 Ų30.22%0.02115%0.149CC..Hα-helixtrans-63.7-46.8177.2-66.2162.9000111I409 T445 R446 N451 A452 S453 I459 L475 L482 I494 V495I409-I449 HydrophobicContact CD1-CD1 4.47Å; I409-I449 HydrophobicContact CD1-CG1 4.04Å; T445-I449 HydrophobicContact CG2-CD1 3.74Å; T445-I449 HydrophobicContact CG2-CG1 4.48Å; T445-I449 VanDerWaalsContact O-CG1 3.3Å; T445-I449 WeakPolarHBondContact O-CG1 3.29Å; T445-I449 PolarHBondContact O-N 2.86Å; R446-I449 PolarHBondContact O-N 2.83Å; I449-N451 VanDerWaalsContact C-N 3.3Å; I449-N451 PolarHBondContact O-N 3.35Å; I449-A452 CarbonylContact O-C 3.58Å; I449-A452 PolarHBondContact O-N 3.3Å; I449-S453 PolarHBondContact O-N 3.27Å; I449-I459 HydrophobicContact CG1-CD1 3.88Å; I449-L475 HydrophobicContact CD1-CB 4.42Å; I449-L475 HydrophobicContact CD1-CD1 4.04Å; I449-L475 HydrophobicContact CD1-CD2 3.77Å; I449-L475 HydrophobicContact CD1-CG 4.3Å; I449-L482 HydrophobicContact CB-CD2 3.88Å; I449-L482 HydrophobicContact CD1-CD2 4.14Å; I449-L482 HydrophobicContact CG2-CD2 3.51Å; I449-I494 HydrophobicContact CG2-CD1 4.02Å; I449-I494 HydrophobicContact CG2-CG1 3.93Å; I449-V495 HydrophobicContact CD1-CG2 4.02Å; I449-V495 HydrophobicContact CG1-CG2 4.23Å; I449-V495 HydrophobicContact CG2-CG2 3.67Å
450V96.3Very high95.9Very high0 Ų029.8 Ų29.80%015%0.146CC..Hα-helixtrans-60.7-41.6178.5170.80000111R446 S453 E488 A490R446-V450 WeakPolarHBondContact O-CB 3.33Å; R446-V450 VanDerWaalsContact O-CG2 3.29Å; R446-V450 WeakPolarHBondContact O-CG2 3.41Å; R446-V450 PolarHBondContact O-N 3.31Å; V450-S453 WeakPolarHBondContact O-CB 3.27Å; V450-S453 PolarHBondContact O-N 2.93Å; V450-S453 PolarHBondContact O-OG 3.43Å; V450-E488 HydrophobicContact CG1-CB 4.48Å; V450-E488 HydrophobicContact CG1-CG 4.34Å; V450-A490 HydrophobicContact CG2-CB 4.27Å
451N96.4Very high96.1Very high81 Ų8125.7 Ų25.743%0.43312%0.121SC..Hα-helixtrans-66.1-43.5174.9-72-28.2000112.2N447 A448 I449 S453 R454N447-N451 WeakPolarHBondContact O-CB 3.13Å; N447-N451 PolarHBondContact O-N 2.99Å; N447-N451 PolarHBondContact O-ND2 3.29Å; N447-N451 VanDerWaalsContact O-ND2 3.13Å; A448-N451 PolarHBondContact O-N 3.42Å; I449-N451 VanDerWaalsContact C-N 3.3Å; I449-N451 PolarHBondContact O-N 3.35Å; N451-S453 PolarHBondContact O-N 2.87Å; N451-R454 PolarHBondContact O-N 3.49Å
452A97.6Very high96.2Very high0 Ų025.1 Ų25.10%012%0.118CC..Hα-helixtrans-66.1-24.217800000113.1I409 A413 A448 I449 R454 L455 M457 I494I409-A452 HydrophobicContact CG2-CB 4.45Å; A413-A452 HydrophobicContact CB-CB 4.42Å; A448-A452 VanDerWaalsContact O-CB 3.25Å; A448-A452 WeakPolarHBondContact O-CB 3.36Å; A448-A452 PolarHBondContact O-N 2.9Å; I449-A452 CarbonylContact O-C 3.58Å; I449-A452 PolarHBondContact O-N 3.3Å; A452-R454 PolarHBondContact O-N 3.42Å; A452-L455 WeakPolarHBondContact O-CB 3.37Å; A452-L455 PolarHBondContact O-N 2.93Å; A452-M457 HydrophobicContact CB-SD 4.26Å; A452-I494 HydrophobicContact CB-CD1 3.73Å
453S96.6Very high96.3Very high1 Ų123.2 Ų23.21%0.00711%0.109CC..THydrogen-bonded Turntrans-59-18.517876.20000113.5I449 V450 N451 M491 R492I449-S453 PolarHBondContact O-N 3.27Å; V450-S453 WeakPolarHBondContact O-CB 3.27Å; V450-S453 PolarHBondContact O-N 2.93Å; V450-S453 PolarHBondContact O-OG 3.43Å; N451-S453 PolarHBondContact O-N 2.87Å; S453-M491 PolarHBondContact OG-N 2.9Å; S453-R492 WeakPolarHBondContact O-CD 3.26Å; S453-R492 WeakPolarHBondContact O-CG 3.21Å; S453-R492 PolarHBondContact O-NE 3.48Å
454R96.1Very high96.4Very high115 Ų11520.1 Ų20.143%0.4349%0.092SC..THydrogen-bonded Turntrans-91.6-3.7178.1-56174.6175-142.30.5113.8N451 A452 E488 M491N451-R454 PolarHBondContact O-N 3.49Å; A452-R454 PolarHBondContact O-N 3.42Å; R454-E488 IonicContact CZ-OE1 3.67Å; R454-E488 IonicContact NE-OE1 3.71Å; R454-E488 IonicContact NH2-OE1 2.69Å; R454-E488 PolarHBondContact NH2-OE1 3Å; R454-M491 HydrophobicContact CG-CB 4.27Å; R454-M491 HydrophobicContact CG-CE 3.95Å; R454-M491 HydrophobicContact CG-SD 4.19Å
455L98Very high96.2Very high9 Ų915.4 Ų15.45%0.0477%0.073CC..SBendtrans-110.1161.2-172.3-55.9-179.1000110.5A413 R417 L420 A452 M457 R492 F526A413-L455 HydrophobicContact CB-CD1 3.78Å; A413-L455 VanDerWaalsContact O-CD1 3.24Å; A413-L455 WeakPolarHBondContact O-CD1 3.45Å; R417-L455 HydrophobicContact CB-CD1 4.43Å; R417-L455 HydrophobicContact CB-CD2 4.19Å; L420-L455 HydrophobicContact CD2-CD2 3.92Å; A452-L455 WeakPolarHBondContact O-CB 3.37Å; A452-L455 PolarHBondContact O-N 2.93Å; L455-M457 PolarHBondContact O-N 3.17Å; L455-R492 PolarHBondContact O-NH2 2.75Å; L455-F526 WeakPolarHBondContact O-CD2 3.45Å; L455-F526 WeakPolarHBondContact O-CE2 3.46Å
456P97.4Very high95.9Very high3 Ų319.7 Ų19.72%0.01911%0.109CC..SBendtrans-71.968.317429.3-34.5000111.2G416 A419 Y428 F429 F526G416-P456 WeakPolarHBondContact O-CD 3.39Å; G416-P456 WeakPolarHBondContact O-CG 3.36Å; A419-P456 HydrophobicContact CB-CG 3.98Å; Y428-P456 HydrophobicContact CD2-CB 3.89Å; Y428-P456 HydrophobicContact CE2-CB 4.37Å; F429-P456 PolarHBondContact N-O 3.26Å; P456-F526 HydrophobicContact CB-CD1 3.93Å; P456-F526 HydrophobicContact CB-CE1 3.45Å; P456-F526 VanDerWaalsContact CB-CE1 3.45Å; P456-F526 HydrophobicContact CB-CE2 4.38Å; P456-F526 HydrophobicContact CB-CZ 3.69Å; P456-F526 HydrophobicContact CG-CE1 4.26Å; P456-F526 HydrophobicContact CG-CZ 4.11Å
457M97.4Very high95.6Very high0 Ų019.3 Ų19.30%012%0.115CC..EExtended strand (participates in β ladder)trans-145.4142.2-172.3-177.1178.3179.900113V412 A413 Y428 F429 L431 A452 L455 I459 R492V412-M457 HydrophobicContact CB-CE 3.43Å; V412-M457 VanDerWaalsContact CB-CE 3.43Å; V412-M457 HydrophobicContact CB-SD 4.11Å; V412-M457 HydrophobicContact CG1-CE 3.44Å; V412-M457 VanDerWaalsContact CG1-CE 3.44Å; V412-M457 HydrophobicContact CG1-CG 4.4Å; V412-M457 HydrophobicContact CG1-SD 3.87Å; V412-M457 HydrophobicContact CG2-CE 4.43Å; A413-M457 HydrophobicContact CB-SD 4.18Å; Y428-M457 PolarHBondContact OH-O 3.25Å; F429-M457 HydrophobicContact CB-CB 4.45Å; F429-M457 HydrophobicContact CB-CG 4.35Å; F429-M457 CarbonylContact O-C 3.51Å; F429-M457 WeakPolarHBondContact O-CA 3.13Å; L431-M457 HydrophobicContact CB-CE 3.64Å; L431-M457 HydrophobicContact CD2-CE 3.89Å; L431-M457 HydrophobicContact CG-CE 4.43Å; A452-M457 HydrophobicContact CB-SD 4.26Å; L455-M457 PolarHBondContact O-N 3.17Å; M457-I459 HydrophobicContact CE-CG1 3.93Å; M457-R492 PolarHBondContact O-NH2 2.69Å
458S97.2Very high95.2Very high0 Ų022.3 Ų22.30%013%0.131CC..EExtended strand (participates in β ladder)trans-123.8155.6166.4-700000110.9Y428 F429 V430 L431 I494 Q522Y428-S458 WeakPolarHBondContact CE1-OG 3.38Å; Y428-S458 PolarHBondContact OH-OG 3Å; F429-S458 PolarHBondContact O-N 2.8Å; V430-S458 WeakPolarHBondContact CA-O 3.34Å; L431-S458 PolarHBondContact N-O 2.8Å; S458-I494 CarbonylContact C-O 3.31Å; S458-Q522 PolarHBondContact OG-OE1 3.28Å
459I97.3Very high94.9Very high0 Ų022.6 Ų22.60%013%0.132CC..EExtended strand (participates in β ladder)trans-125128.2178.6-58.7166.2000107.2I409 L431 I433 I449 M457 I461 I494 V495 Q496I409-I459 HydrophobicContact CD1-CD1 4.15Å; I409-I459 HydrophobicContact CG1-CD1 4.09Å; I409-I459 HydrophobicContact CG2-CD1 3.9Å; L431-I459 CarbonylContact O-C 3.45Å; L431-I459 WeakPolarHBondContact O-CA 3.28Å; I433-I459 HydrophobicContact CD1-CG2 4.07Å; I433-I459 HydrophobicContact CG1-CG2 4.48Å; I449-I459 HydrophobicContact CG1-CD1 3.88Å; M457-I459 HydrophobicContact CE-CG1 3.93Å; I459-I461 HydrophobicContact CG2-CD1 4.41Å; I459-I461 HydrophobicContact CG2-CG1 3.98Å; I459-I494 HydrophobicContact CD1-CD1 3.96Å; I459-I494 HydrophobicContact CD1-CG1 4.44Å; I459-I494 HydrophobicContact CG1-CD1 4.45Å; I459-I494 PolarHBondContact N-O 3.35Å; I459-V495 HydrophobicContact CB-CG2 4.36Å; I459-V495 HydrophobicContact CD1-CG2 4.49Å; I459-V495 CarbonylContact O-C 3.59Å; I459-V495 VanDerWaalsContact O-CA 3.27Å; I459-V495 WeakPolarHBondContact O-CA 3.45Å; I459-Q496 PolarHBondContact O-N 2.88Å
460I95.8Very high94.5Very high3 Ų325.2 Ų25.22%0.01515%0.151CC..EExtended strand (participates in β ladder)trans-116.2130.1175-66.6175.2000106.7V430 L431 L432 I433 V462 Q496 V515 L516V430-I460 HydrophobicContact CG1-CD1 3.76Å; V430-I460 HydrophobicContact CG1-CG1 4.23Å; L431-I460 PolarHBondContact O-N 3.4Å; L432-I460 CarbonylContact C-O 3.52Å; L432-I460 WeakPolarHBondContact CA-O 3.29Å; L432-I460 HydrophobicContact CD1-CB 4.13Å; L432-I460 HydrophobicContact CD1-CG2 3.56Å; I433-I460 PolarHBondContact N-O 2.73Å; I460-V462 HydrophobicContact CG2-CG2 4.34Å; I460-Q496 CarbonylContact C-O 3.55Å; I460-Q496 WeakPolarHBondContact CA-O 3.18Å; I460-V515 HydrophobicContact CD1-CG1 4.04Å; I460-V515 HydrophobicContact CG2-CG1 3.34Å; I460-L516 HydrophobicContact CD1-CD2 3.94Å
461I95.3Very high94.1Very high1 Ų126.2 Ų26.21%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-119.5118.8178.9-53.3177.5000108.4F405 I433 T435 I459 M472 L475 V495 Q496 F497 V498F405-I461 HydrophobicContact CD2-CD1 4.49Å; F405-I461 HydrophobicContact CE2-CD1 4.28Å; F405-I461 HydrophobicContact CE2-CG2 4.39Å; I433-I461 HydrophobicContact CB-CG1 4.39Å; I433-I461 CarbonylContact O-C 3.55Å; I433-I461 WeakPolarHBondContact O-CA 3.32Å; T435-I461 HydrophobicContact CG2-CG2 4.12Å; I459-I461 HydrophobicContact CG2-CD1 4.41Å; I459-I461 HydrophobicContact CG2-CG1 3.98Å; I461-M472 HydrophobicContact CG2-CG 4.14Å; I461-L475 HydrophobicContact CD1-CD1 4.31Å; I461-V495 HydrophobicContact CD1-CG1 3.92Å; I461-V495 HydrophobicContact CG1-CG1 4.37Å; I461-Q496 PolarHBondContact N-O 2.94Å; I461-F497 HydrophobicContact CB-CD2 3.99Å; I461-F497 HydrophobicContact CG2-CD2 3.86Å; I461-F497 HydrophobicContact CG2-CE2 4.3Å; I461-F497 WeakPolarHBondContact O-CA 3.03Å; I461-F497 WeakPolarHBondContact O-CD2 3.19Å; I461-V498 PolarHBondContact O-N 2.93Å
462V95.4Very high93.8Very high0 Ų022.4 Ų22.40%014%0.139CC..EExtended strand (participates in β ladder)trans-106.4115.2173.5-179.30000109.3A333 L432 I433 I434 T435 I460 V498 F500 V515A333-V462 HydrophobicContact CB-CG1 3.96Å; L432-V462 HydrophobicContact CD1-CG2 3.74Å; I433-V462 PolarHBondContact O-N 2.92Å; I434-V462 WeakPolarHBondContact CA-O 3.38Å; I434-V462 HydrophobicContact CG1-CB 4.49Å; I434-V462 HydrophobicContact CG2-CB 4.49Å; T435-V462 PolarHBondContact N-O 2.92Å; T435-V462 VanDerWaalsContact N-O 3.11Å; I460-V462 HydrophobicContact CG2-CG2 4.34Å; V462-V498 WeakPolarHBondContact CA-O 3.17Å; V462-F500 HydrophobicContact CG1-CB 4.14Å; V462-F500 HydrophobicContact CG1-CD2 4.4Å; V462-V515 HydrophobicContact CG2-CG2 3.92Å
463G95.4Very high93.4Very high0 Ų027.8 Ų27.80%016%0.164CC..EExtended strand (participates in β ladder)trans-88.4116.8178.100000111.8T435 F469 V498 F500T435-G463 CarbonylContact O-C 3.56Å; T435-G463 WeakPolarHBondContact O-CA 3.43Å; G463-F469 VanDerWaalsContact CA-CZ 3.41Å; G463-V498 PolarHBondContact N-O 2.84Å; G463-F500 VanDerWaalsContact O-CB 3.3Å; G463-F500 WeakPolarHBondContact O-CB 3.31Å; G463-F500 PolarHBondContact O-N 2.6Å
464V94.9Very high93Very high0 Ų033.2 Ų33.20%019%0.188CC..  trans-100.5155.5177-61.60000112.1L319 E329 Y330 I434 T435 D436 F469 F500L319-V464 HydrophobicContact CD1-CG2 4.39Å; E329-V464 HydrophobicContact CB-CB 3.84Å; E329-V464 HydrophobicContact CB-CG1 3.65Å; E329-V464 WeakPolarHBondContact OE2-CA 3.25Å; E329-V464 WeakPolarHBondContact OE2-CB 3.35Å; Y330-V464 HydrophobicContact CD2-CG2 4.1Å; Y330-V464 HydrophobicContact CE1-CG2 4.06Å; Y330-V464 HydrophobicContact CE2-CG2 3.53Å; Y330-V464 VanDerWaalsContact CZ-CG2 3.49Å; I434-V464 HydrophobicContact CG2-CG1 3.76Å; T435-V464 WeakPolarHBondContact O-CG2 3.35Å; T435-V464 PolarHBondContact O-N 3.05Å; D436-V464 WeakPolarHBondContact CA-O 3.35Å; D436-V464 HydrophobicContact CB-CG2 4.05Å; V464-F469 WeakPolarHBondContact O-CZ 3.33Å; V464-F500 HydrophobicContact CG1-CB 4.17Å; V464-F500 HydrophobicContact CG1-CG 4.46Å
465G92.5Very high92.7Very high10 Ų1027.8 Ų27.810%0.10317%0.167CC..SBendtrans72.3-159-178.500000114E329 R501E329-G465 PolarHBondContact OE2-N 3.22Å; G465-R501 PolarHBondContact O-NE 3.39Å; G465-R501 PolarHBondContact O-NH2 2.99Å
466A89.1Confident92.1Very high91 Ų9128.1 Ų28.175%0.75217%0.169SC*.SBendtrans-113.712.6-16400000114.7
467A88.7Confident91Very high38 Ų3828.5 Ų28.531%0.31417%0.174SC..SBendtrans-64.3174.1-178.800000113.7D436 F469 R501D436-A467 WeakPolarHBondContact O-CB 3.43Å; A467-F469 HydrophobicContact CB-CE1 4.35Å; A467-R501 PolarHBondContact O-NH1 2.87Å; A467-R501 PolarHBondContact O-NH2 3.23Å
468D88.4Confident90Very high110 Ų11032.7 Ų32.759%0.58820%0.196SC*.  trans-78.8125.9168.2-179.418.9000110.1S470D468-S470 VanDerWaalsContact CG-OG 3.29Å; D468-S470 WeakPolarHBondContact OD1-CB 3.09Å; D468-S470 PolarHBondContact OD1-N 3.15Å; D468-S470 PolarHBondContact OD1-OG 2.86Å; D468-S470 PolarHBondContact OD2-OG 2.89Å
469F90.4Very high88.6Confident9 Ų941 Ų414%0.03924%0.241CC..  trans-108.211-179.1-65-44000113.7G463 V464 A467 A471 M472 E473 F497 P499G463-F469 VanDerWaalsContact CA-CZ 3.41Å; V464-F469 WeakPolarHBondContact O-CZ 3.33Å; A467-F469 HydrophobicContact CB-CE1 4.35Å; F469-A471 PolarHBondContact O-N 2.98Å; F469-A471 VanDerWaalsContact O-N 3.1Å; F469-M472 HydrophobicContact CD1-SD 4.25Å; F469-M472 WeakPolarHBondContact O-CA 3.36Å; F469-M472 WeakPolarHBondContact O-CB 3.29Å; F469-M472 PolarHBondContact O-N 3.35Å; F469-E473 PolarHBondContact O-N 3.38Å; F469-F497 HydrophobicContact CB-CE1 3.73Å; F469-F497 HydrophobicContact CB-CE2 4.47Å; F469-F497 HydrophobicContact CB-CZ 3.46Å; F469-F497 VanDerWaalsContact CB-CZ 3.46Å; F469-F497 HydrophobicContact CD1-CZ 4.09Å; F469-F497 HydrophobicContact CD2-CE1 4.4Å; F469-F497 AromaticContact CD2-CZ 3.66Å; F469-F497 HydrophobicContact CD2-CZ 3.66Å; F469-F497 HydrophobicContact CE2-CZ 4.33Å; F469-F497 HydrophobicContact CG-CE1 4.25Å; F469-F497 HydrophobicContact CG-CE2 4.35Å; F469-F497 AromaticContact CG-CZ 3.51Å; F469-F497 HydrophobicContact CG-CZ 3.51Å; F469-P499 HydrophobicContact CD2-CB 3.83Å; F469-P499 HydrophobicContact CE2-CB 3.93Å
470S89.2Confident87.5Confident58 Ų5843.2 Ų43.241%0.40626%0.263SS..Hα-helixtrans-50.1-37.1175.459.90000113.5D468 M472 F474D468-S470 VanDerWaalsContact CG-OG 3.29Å; D468-S470 WeakPolarHBondContact OD1-CB 3.09Å; D468-S470 PolarHBondContact OD1-N 3.15Å; D468-S470 PolarHBondContact OD1-OG 2.86Å; D468-S470 PolarHBondContact OD2-OG 2.89Å; S470-M472 VanDerWaalsContact C-N 3.35Å; S470-M472 PolarHBondContact O-N 2.85Å; S470-F474 WeakPolarHBondContact O-CB 3.45Å; S470-F474 PolarHBondContact O-N 2.78Å
471A87.9Confident86.9Confident22 Ų2251.7 Ų51.718%0.18230%0.295CS..Hα-helixtrans-62.9-37.1175.200000113.3M442 F469 L475M442-A471 HydrophobicContact CE-CB 3.53Å; F469-A471 PolarHBondContact O-N 2.98Å; F469-A471 VanDerWaalsContact O-N 3.1Å; A471-L475 WeakPolarHBondContact O-CG 3.33Å
472M89.7Confident86.6Confident0 Ų052.2 Ų52.20%030%0.298CS..Hα-helixtrans-80.6-39.7-179.7-70.466.7175.100111F405 T435 I439 I461 F469 S470 F474 L475 D476 F497F405-M472 HydrophobicContact CE2-CE 4.38Å; F405-M472 HydrophobicContact CZ-CE 4.23Å; T435-M472 HydrophobicContact CG2-CE 3.82Å; I439-M472 HydrophobicContact CD1-CE 4.04Å; I439-M472 HydrophobicContact CD1-CG 4.44Å; I439-M472 HydrophobicContact CD1-SD 4.24Å; I439-M472 HydrophobicContact CG1-CE 3.57Å; I439-M472 HydrophobicContact CG1-SD 4.22Å; I461-M472 HydrophobicContact CG2-CG 4.14Å; F469-M472 HydrophobicContact CD1-SD 4.25Å; F469-M472 WeakPolarHBondContact O-CA 3.36Å; F469-M472 WeakPolarHBondContact O-CB 3.29Å; F469-M472 PolarHBondContact O-N 3.35Å; S470-M472 VanDerWaalsContact C-N 3.35Å; S470-M472 PolarHBondContact O-N 2.85Å; M472-F474 PolarHBondContact O-N 2.92Å; M472-L475 WeakPolarHBondContact O-CA 3.3Å; M472-L475 WeakPolarHBondContact O-CB 2.99Å; M472-L475 PolarHBondContact O-N 2.86Å; M472-D476 PolarHBondContact O-N 2.92Å; M472-F497 HydrophobicContact CB-CB 4.44Å; M472-F497 HydrophobicContact CB-CD1 3.96Å; M472-F497 HydrophobicContact CB-CD2 3.44Å; M472-F497 VanDerWaalsContact CB-CD2 3.44Å; M472-F497 HydrophobicContact CB-CE1 4.06Å; M472-F497 HydrophobicContact CB-CE2 3.56Å; M472-F497 HydrophobicContact CB-CG 3.65Å; M472-F497 HydrophobicContact CB-CZ 3.89Å; M472-F497 HydrophobicContact CG-CD2 4.03Å; M472-F497 HydrophobicContact CG-CE2 3.91Å; M472-F497 HydrophobicContact CG-CZ 4.49Å
473E89.2Confident86.4Confident113 Ų11358.4 Ų58.453%0.52832%0.321SS..Hα-helixtrans-57.3-38.8171.4-67.6171177.600111F469 L475 D476 F497F469-E473 PolarHBondContact O-N 3.38Å; E473-L475 VanDerWaalsContact C-N 3.28Å; E473-L475 PolarHBondContact O-N 2.88Å; E473-D476 WeakPolarHBondContact O-CB 3.29Å; E473-D476 PolarHBondContact O-N 3.19Å; E473-F497 HydrophobicContact CG-CD1 3.88Å; E473-F497 HydrophobicContact CG-CE1 3.92Å
474F88.6Confident86.1Confident115 Ų11558.8 Ų58.850%0.50432%0.324SS..Hα-helixtrans-63.2-30.3173.3176.7-98.7000113.7R446 S470 M472 L482R446-F474 HydrophobicContact CG-CE1 4.45Å; S470-F474 WeakPolarHBondContact O-CB 3.45Å; S470-F474 PolarHBondContact O-N 2.78Å; M472-F474 PolarHBondContact O-N 2.92Å; F474-L482 HydrophobicContact CD1-CD1 4.19Å; F474-L482 HydrophobicContact CE1-CD1 3.67Å; F474-L482 HydrophobicContact CZ-CD1 4.13Å
475L89.1Confident85.6Confident1 Ų163.6 Ų63.61%0.00535%0.349CS..Hα-helixtrans-79.1-24.2178.5-67.1-179.8000113.1I439 M442 T445 R446 I449 I461 A471 M472 E473 G477 L482 V495I439-L475 HydrophobicContact CD1-CD1 3.39Å; M442-L475 HydrophobicContact SD-CD2 3.91Å; M442-L475 HydrophobicContact SD-CG 4.36Å; T445-L475 HydrophobicContact CG2-CD1 3.88Å; R446-L475 HydrophobicContact CG-CD2 4.02Å; I449-L475 HydrophobicContact CD1-CB 4.42Å; I449-L475 HydrophobicContact CD1-CD1 4.04Å; I449-L475 HydrophobicContact CD1-CD2 3.77Å; I449-L475 HydrophobicContact CD1-CG 4.3Å; I461-L475 HydrophobicContact CD1-CD1 4.31Å; A471-L475 WeakPolarHBondContact O-CG 3.33Å; M472-L475 WeakPolarHBondContact O-CA 3.3Å; M472-L475 WeakPolarHBondContact O-CB 2.99Å; M472-L475 PolarHBondContact O-N 2.86Å; E473-L475 VanDerWaalsContact C-N 3.28Å; E473-L475 PolarHBondContact O-N 2.88Å; L475-G477 PolarHBondContact O-N 2.63Å; L475-L482 HydrophobicContact CD2-CD1 4.11Å; L475-L482 HydrophobicContact CD2-CD2 4.15Å; L475-V495 HydrophobicContact CB-CG1 4.24Å; L475-V495 WeakPolarHBondContact O-CB 3.48Å
476D85.4Confident85.4Confident16 Ų1667.9 Ų67.99%0.08638%0.377CS..SBendtrans-64.8-13.4-175.3-155.526.9000114.1M472 E473 D478 Q496 F497M472-D476 PolarHBondContact O-N 2.92Å; E473-D476 WeakPolarHBondContact O-CB 3.29Å; E473-D476 PolarHBondContact O-N 3.19Å; D476-D478 PolarHBondContact O-N 2.68Å; D476-Q496 VanDerWaalsContact OD1-C 3.3Å; D476-Q496 WeakPolarHBondContact OD1-CA 3.45Å; D476-F497 HydrophobicContact CB-CB 4.07Å; D476-F497 PolarHBondContact OD1-N 3.05Å
477G74.6Confident85.4Confident12 Ų1265.4 Ų65.412%0.12436%0.36CS..  trans71.3-10.5170.700000116.4L475 D479 G480L475-G477 PolarHBondContact O-N 2.63Å; G477-D479 VanDerWaalsContact C-N 3.28Å; G477-D479 PolarHBondContact O-N 2.99Å; G477-G480 CarbonylContact C-O 3.51Å; G477-G480 WeakPolarHBondContact CA-O 3.34Å; G477-G480 CarbonylContact O-C 3.46Å; G477-G480 VanDerWaalsContact O-C 3.31Å; G477-G480 PolarHBondContact O-N 3.34Å
478D75.1Confident85.6Confident88 Ų8866.9 Ų66.947%0.47136%0.361SS..THydrogen-bonded Turntrans-58.5-34.8-178.2-115.4-6.6000113.3D476 G480D476-D478 PolarHBondContact O-N 2.68Å; D478-G480 VanDerWaalsContact C-N 3.35Å
479D68.4Low85.8Confident174 Ų17463 Ų6393%0.9334%0.344SS*.THydrogen-bonded Turntrans-89.24.9177.2-75.6-36.5000113.9G477G477-D479 VanDerWaalsContact C-N 3.28Å; G477-D479 PolarHBondContact O-N 2.99Å
480G74.4Confident86Confident46 Ų4663 Ų6347%0.47435%0.346SS..SBendtrans144.7164.3175.600000114.2G477 D478 L482G477-G480 CarbonylContact C-O 3.51Å; G477-G480 WeakPolarHBondContact CA-O 3.34Å; G477-G480 CarbonylContact O-C 3.46Å; G477-G480 VanDerWaalsContact O-C 3.31Å; G477-G480 PolarHBondContact O-N 3.34Å; D478-G480 VanDerWaalsContact C-N 3.35Å; G480-L482 PolarHBondContact O-N 2.82Å; G480-L482 VanDerWaalsContact O-N 3.12Å
481R83.3Confident86.2Confident182 Ų18264.4 Ų64.469%0.68735%0.347SS*.  trans-64.3117.5-176.5-70.5-171.3179.8-166.2-2.5112.3A489R481-A489 HydrophobicContact CB-CB 4.48Å
482L89.3Confident86.5Confident12 Ų1264.3 Ų64.36%0.06334%0.342CS..  trans-53.7137.9171.5-168.769.4000110.7R446 I449 F474 L475 G480 A489 A490R446-L482 HydrophobicContact CG-CD1 4.26Å; I449-L482 HydrophobicContact CB-CD2 3.88Å; I449-L482 HydrophobicContact CD1-CD2 4.14Å; I449-L482 HydrophobicContact CG2-CD2 3.51Å; F474-L482 HydrophobicContact CD1-CD1 4.19Å; F474-L482 HydrophobicContact CE1-CD1 3.67Å; F474-L482 HydrophobicContact CZ-CD1 4.13Å; L475-L482 HydrophobicContact CD2-CD1 4.11Å; L475-L482 HydrophobicContact CD2-CD2 4.15Å; G480-L482 PolarHBondContact O-N 2.82Å; G480-L482 VanDerWaalsContact O-N 3.12Å; L482-A489 WeakPolarHBondContact O-CA 3.33Å; L482-A490 HydrophobicContact CB-CB 4.47Å; L482-A490 PolarHBondContact O-N 3.05Å
483R89.9Confident86.6Confident130 Ų13067.1 Ų67.149%0.49136%0.357SS..BIsolated β-bridgetrans-120.4149.6178.2-66.3-179.5179.5-88.3-2111.7R446 G487 E488 A489R446-R483 PolarHBondContact NE-O 2.89Å; R446-R483 PolarHBondContact NH2-O 2.85Å; R483-G487 PolarHBondContact NH1-O 2.85Å; R483-E488 CarbonylContact C-O 3.53Å; R483-E488 WeakPolarHBondContact CA-O 3.14Å; R483-A489 HydrophobicContact CG-CB 4.26Å
484S89.4Confident86.9Confident7 Ų761.8 Ų61.85%0.04933%0.332CS..  trans-73.2173.9170.6720000110.7N447 S486 G487 E488N447-S484 VanDerWaalsContact OD1-CB 3.28Å; N447-S484 WeakPolarHBondContact OD1-CB 3.44Å; S484-S486 PolarHBondContact O-N 2.71Å; S484-S486 PolarHBondContact OG-N 3.02Å; S484-S486 PolarHBondContact OG-OG 2.73Å; S484-G487 PolarHBondContact O-N 2.81Å; S484-G487 VanDerWaalsContact O-N 3.13Å; S484-G487 PolarHBondContact OG-N 3.4Å; S484-E488 PolarHBondContact N-O 2.84Å; S484-E488 WeakPolarHBondContact OG-CB 3.16Å; S484-E488 PolarHBondContact OG-N 2.74Å; S484-E488 PolarHBondContact OG-O 2.84Å
485L85.5Confident87.2Confident102 Ų10256.4 Ų56.453%0.53431%0.308SS..THydrogen-bonded Turntrans-60.8-30.9169.6-83.1-178.3000113.3D443 N447 G487D443-L485 HydrophobicContact CB-CD1 3.64Å; D443-L485 HydrophobicContact CB-CD2 4.1Å; D443-L485 HydrophobicContact CB-CG 3.87Å; D443-L485 VanDerWaalsContact CG-CD2 3.49Å; D443-L485 WeakPolarHBondContact OD1-CD2 3.29Å; N447-L485 PolarHBondContact OD1-N 2.95Å; L485-G487 PolarHBondContact O-N 3.14Å
486S88.6Confident87.4Confident100 Ų10057.2 Ų57.270%0.69931%0.312SS*.THydrogen-bonded Turntrans-78.7-1.6177.458.40000113.5S484 E488S484-S486 PolarHBondContact O-N 2.71Å; S484-S486 PolarHBondContact OG-N 3.02Å; S484-S486 PolarHBondContact OG-OG 2.73Å; S486-E488 VanDerWaalsContact C-N 3.33Å
487G89.1Confident87.8Confident38 Ų3856.9 Ų56.939%0.39231%0.31SS..SBendtrans85.80.8-17800000114.6R483 S484 L485R483-G487 PolarHBondContact NH1-O 2.85Å; S484-G487 PolarHBondContact O-N 2.81Å; S484-G487 VanDerWaalsContact O-N 3.13Å; S484-G487 PolarHBondContact OG-N 3.4Å; L485-G487 PolarHBondContact O-N 3.14Å
488E92.3Very high88.7Confident69 Ų6956.4 Ų56.432%0.32231%0.305SS..PPolyproline II helixtrans-66.6131176-168.7-172.3148.600110.4V450 R454 R483 S484 S486V450-E488 HydrophobicContact CG1-CB 4.48Å; V450-E488 HydrophobicContact CG1-CG 4.34Å; R454-E488 IonicContact CZ-OE1 3.67Å; R454-E488 IonicContact NE-OE1 3.71Å; R454-E488 IonicContact NH2-OE1 2.69Å; R454-E488 PolarHBondContact NH2-OE1 3Å; R483-E488 CarbonylContact C-O 3.53Å; R483-E488 WeakPolarHBondContact CA-O 3.14Å; S484-E488 PolarHBondContact N-O 2.84Å; S484-E488 WeakPolarHBondContact OG-CB 3.16Å; S484-E488 PolarHBondContact OG-N 2.74Å; S484-E488 PolarHBondContact OG-O 2.84Å; S486-E488 VanDerWaalsContact C-N 3.33Å
489A93.3Very high89.6Confident29 Ų2953.2 Ų53.224%0.2429%0.289CS..BIsolated β-bridgetrans-86144.5177.700000111.4R481 L482 R483R481-A489 HydrophobicContact CB-CB 4.48Å; L482-A489 WeakPolarHBondContact O-CA 3.33Å; R483-A489 HydrophobicContact CG-CB 4.26Å
490A93.7Very high90.7Very high9 Ų946.1 Ų46.17%0.07425%0.25CC..PPolyproline II helixtrans-54.1140167.700000110.6V450 L482 R492V450-A490 HydrophobicContact CG2-CB 4.27Å; L482-A490 HydrophobicContact CB-CB 4.47Å; L482-A490 PolarHBondContact O-N 3.05Å; A490-R492 VanDerWaalsContact C-N 3.32Å
491M93.3Very high91.5Very high88 Ų8848.2 Ų48.243%0.43324%0.243SC..SBendtrans-69.6-33.9-177.1-177.2170.8-75.900111.9S453 R454S453-M491 PolarHBondContact OG-N 2.9Å; R454-M491 HydrophobicContact CG-CB 4.27Å; R454-M491 HydrophobicContact CG-CE 3.95Å; R454-M491 HydrophobicContact CG-SD 4.19Å
492R93.6Very high91.8Very high19 Ų1944 Ų447%0.07223%0.234CC..SBendtrans-154161.5-179.555.4-177.9-171.793.811.8108.1Y428 S453 L455 M457 A490 I494Y428-R492 PolarHBondContact OH-NH1 3.08Å; Y428-R492 VanDerWaalsContact OH-NH1 3.11Å; S453-R492 WeakPolarHBondContact O-CD 3.26Å; S453-R492 WeakPolarHBondContact O-CG 3.21Å; S453-R492 PolarHBondContact O-NE 3.48Å; L455-R492 PolarHBondContact O-NH2 2.75Å; M457-R492 PolarHBondContact O-NH2 2.69Å; A490-R492 VanDerWaalsContact C-N 3.32Å; R492-I494 HydrophobicContact CG-CG2 3.9Å
493D92.6Very high91.8Very high59 Ų5945.1 Ų45.132%0.31624%0.239SC..  trans-73.4137.8169.4-148.8-23.4000110.6V495D493-V495 PolarHBondContact OD1-N 2.85Å
494I95.2Very high91.2Very high2 Ų244.4 Ų44.41%0.0124%0.241CC..  trans-139.8-5.4-178.172.9169.5000113I449 A452 S458 I459 R492I449-I494 HydrophobicContact CG2-CD1 4.02Å; I449-I494 HydrophobicContact CG2-CG1 3.93Å; A452-I494 HydrophobicContact CB-CD1 3.73Å; S458-I494 CarbonylContact C-O 3.31Å; I459-I494 HydrophobicContact CD1-CD1 3.96Å; I459-I494 HydrophobicContact CD1-CG1 4.44Å; I459-I494 HydrophobicContact CG1-CD1 4.45Å; I459-I494 PolarHBondContact N-O 3.35Å; R492-I494 HydrophobicContact CG-CG2 3.9Å
495V95Very high90.7Very high1 Ų152.1 Ų52.11%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-105.7134.5-176.1-178.70000107.2I449 I459 I461 L475 D493I449-V495 HydrophobicContact CD1-CG2 4.02Å; I449-V495 HydrophobicContact CG1-CG2 4.23Å; I449-V495 HydrophobicContact CG2-CG2 3.67Å; I459-V495 HydrophobicContact CB-CG2 4.36Å; I459-V495 HydrophobicContact CD1-CG2 4.49Å; I459-V495 CarbonylContact O-C 3.59Å; I459-V495 VanDerWaalsContact O-CA 3.27Å; I459-V495 WeakPolarHBondContact O-CA 3.45Å; I461-V495 HydrophobicContact CD1-CG1 3.92Å; I461-V495 HydrophobicContact CG1-CG1 4.37Å; L475-V495 HydrophobicContact CB-CG1 4.24Å; L475-V495 WeakPolarHBondContact O-CB 3.48Å; D493-V495 PolarHBondContact OD1-N 2.85Å
496Q94.1Very high90.4Very high18 Ų1849 Ų498%0.08427%0.271CS..EExtended strand (participates in β ladder)trans-120124.3163.917766.961.300108I459 I460 I461 D476 V498 E518I459-Q496 PolarHBondContact O-N 2.88Å; I460-Q496 CarbonylContact C-O 3.55Å; I460-Q496 WeakPolarHBondContact CA-O 3.18Å; I461-Q496 PolarHBondContact N-O 2.94Å; D476-Q496 VanDerWaalsContact OD1-C 3.3Å; D476-Q496 WeakPolarHBondContact OD1-CA 3.45Å; Q496-V498 HydrophobicContact CG-CG2 4.01Å; Q496-E518 PolarHBondContact OE1-OE1 3.36Å
497F93.4Very high89.7Confident10 Ų1048.4 Ų48.44%0.04427%0.265CS..EExtended strand (participates in β ladder)trans-105134.8171.1176.1-115.3000111.4I461 F469 M472 E473 D476 P499I461-F497 HydrophobicContact CB-CD2 3.99Å; I461-F497 HydrophobicContact CG2-CD2 3.86Å; I461-F497 HydrophobicContact CG2-CE2 4.3Å; I461-F497 WeakPolarHBondContact O-CA 3.03Å; I461-F497 WeakPolarHBondContact O-CD2 3.19Å; F469-F497 HydrophobicContact CB-CE1 3.73Å; F469-F497 HydrophobicContact CB-CE2 4.47Å; F469-F497 HydrophobicContact CB-CZ 3.46Å; F469-F497 VanDerWaalsContact CB-CZ 3.46Å; F469-F497 HydrophobicContact CD1-CZ 4.09Å; F469-F497 HydrophobicContact CD2-CE1 4.4Å; F469-F497 AromaticContact CD2-CZ 3.66Å; F469-F497 HydrophobicContact CD2-CZ 3.66Å; F469-F497 HydrophobicContact CE2-CZ 4.33Å; F469-F497 HydrophobicContact CG-CE1 4.25Å; F469-F497 HydrophobicContact CG-CE2 4.35Å; F469-F497 AromaticContact CG-CZ 3.51Å; F469-F497 HydrophobicContact CG-CZ 3.51Å; M472-F497 HydrophobicContact CB-CB 4.44Å; M472-F497 HydrophobicContact CB-CD1 3.96Å; M472-F497 HydrophobicContact CB-CD2 3.44Å; M472-F497 VanDerWaalsContact CB-CD2 3.44Å; M472-F497 HydrophobicContact CB-CE1 4.06Å; M472-F497 HydrophobicContact CB-CE2 3.56Å; M472-F497 HydrophobicContact CB-CG 3.65Å; M472-F497 HydrophobicContact CB-CZ 3.89Å; M472-F497 HydrophobicContact CG-CD2 4.03Å; M472-F497 HydrophobicContact CG-CE2 3.91Å; M472-F497 HydrophobicContact CG-CZ 4.49Å; E473-F497 HydrophobicContact CG-CD1 3.88Å; E473-F497 HydrophobicContact CG-CE1 3.92Å; D476-F497 HydrophobicContact CB-CB 4.07Å; D476-F497 PolarHBondContact OD1-N 3.05Å; F497-P499 HydrophobicContact CE1-CB 4.21Å; F497-P499 HydrophobicContact CE1-CG 4.24Å; F497-P499 HydrophobicContact CZ-CB 3.95Å; F497-P499 HydrophobicContact CZ-CG 4.46Å
498V93.1Very high88.7Confident1 Ų151.5 Ų51.51%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-139.2117.4175-1760000110.5I461 V462 G463 Q496 F500 F503 L511 V515I461-V498 PolarHBondContact O-N 2.93Å; V462-V498 WeakPolarHBondContact CA-O 3.17Å; G463-V498 PolarHBondContact N-O 2.84Å; Q496-V498 HydrophobicContact CG-CG2 4.01Å; V498-F500 PolarHBondContact O-N 2.93Å; V498-F503 HydrophobicContact CG1-CD2 4.2Å; V498-F503 HydrophobicContact CG1-CE2 3.32Å; V498-F503 HydrophobicContact CG1-CZ 3.92Å; V498-L511 HydrophobicContact CG1-CD1 3.97Å; V498-V515 HydrophobicContact CB-CG2 3.81Å; V498-V515 HydrophobicContact CG1-CG2 4.04Å; V498-V515 HydrophobicContact CG2-CB 4.43Å; V498-V515 HydrophobicContact CG2-CG2 3.76Å
499P93.6Very high87.9Confident22 Ų2251.3 Ų51.314%0.14328%0.279CS..EExtended strand (participates in β ladder)trans-78.6120173.531.2-33.7000110.6F469 F497 R501 N502F469-P499 HydrophobicContact CD2-CB 3.83Å; F469-P499 HydrophobicContact CE2-CB 3.93Å; F497-P499 HydrophobicContact CE1-CB 4.21Å; F497-P499 HydrophobicContact CE1-CG 4.24Å; F497-P499 HydrophobicContact CZ-CB 3.95Å; F497-P499 HydrophobicContact CZ-CG 4.46Å; P499-R501 HydrophobicContact CB-CG 4.32Å; P499-R501 PolarHBondContact O-N 2.81Å; P499-R501 VanDerWaalsContact O-N 3.16Å; P499-N502 WeakPolarHBondContact CG-ND2 3.47Å; P499-N502 WeakPolarHBondContact O-CB 3.36Å; P499-N502 PolarHBondContact O-N 3.39Å; P499-N502 VanDerWaalsContact O-N 3.16Å
500F92.3Very high87.5Confident24 Ų2450.8 Ų50.811%0.10528%0.275CS..G310 helixtrans-56.7-34.2-178-174.1-87000112.7E329 A332 A333 V462 G463 V464 V498 N502 F503 Q504 L511E329-F500 HydrophobicContact CB-CD1 3.9Å; E329-F500 HydrophobicContact CB-CE1 3.95Å; E329-F500 HydrophobicContact CB-CG 4.32Å; E329-F500 HydrophobicContact CB-CZ 4.38Å; E329-F500 VanDerWaalsContact CD-CD1 3.48Å; E329-F500 HydrophobicContact CG-CD1 3.75Å; E329-F500 HydrophobicContact CG-CE1 3.66Å; E329-F500 HydrophobicContact CG-CZ 4.46Å; E329-F500 WeakPolarHBondContact OE2-CD1 3.18Å; A332-F500 HydrophobicContact CB-CE2 3.76Å; A332-F500 HydrophobicContact CB-CZ 3.58Å; A333-F500 HydrophobicContact CB-CD2 4.23Å; A333-F500 HydrophobicContact CB-CE2 4.41Å; V462-F500 HydrophobicContact CG1-CB 4.14Å; V462-F500 HydrophobicContact CG1-CD2 4.4Å; G463-F500 VanDerWaalsContact O-CB 3.3Å; G463-F500 WeakPolarHBondContact O-CB 3.31Å; G463-F500 PolarHBondContact O-N 2.6Å; V464-F500 HydrophobicContact CG1-CB 4.17Å; V464-F500 HydrophobicContact CG1-CG 4.46Å; V498-F500 PolarHBondContact O-N 2.93Å; F500-N502 PolarHBondContact O-N 2.89Å; F500-F503 PolarHBondContact O-N 2.95Å; F500-Q504 HydrophobicContact CD1-CG 4.37Å; F500-Q504 HydrophobicContact CE1-CG 4.25Å; F500-L511 HydrophobicContact CD2-CD1 4.36Å; F500-L511 HydrophobicContact CD2-CD2 3.49Å; F500-L511 VanDerWaalsContact CD2-CD2 3.49Å; F500-L511 HydrophobicContact CE2-CD2 3.44Å; F500-L511 VanDerWaalsContact CE2-CD2 3.44Å
501R90.8Very high87.2Confident90 Ų9050.7 Ų50.734%0.3427%0.273SS..G310 helixtrans-54.2-26179.675.6-177.474.8172.47.5113.8G465 A467 P499 F503G465-R501 PolarHBondContact O-NE 3.39Å; G465-R501 PolarHBondContact O-NH2 2.99Å; A467-R501 PolarHBondContact O-NH1 2.87Å; A467-R501 PolarHBondContact O-NH2 3.23Å; P499-R501 HydrophobicContact CB-CG 4.32Å; P499-R501 PolarHBondContact O-N 2.81Å; P499-R501 VanDerWaalsContact O-N 3.16Å; R501-F503 PolarHBondContact O-N 2.9Å
502N90.3Very high86.9Confident93 Ų9346.6 Ų46.650%0.49725%0.253SS..G310 helixtrans-69.9-12.6178.1-68.63.3000112.9P499 F500P499-N502 WeakPolarHBondContact CG-ND2 3.47Å; P499-N502 WeakPolarHBondContact O-CB 3.36Å; P499-N502 PolarHBondContact O-N 3.39Å; P499-N502 VanDerWaalsContact O-N 3.16Å; F500-N502 PolarHBondContact O-N 2.89Å
503F88.6Confident86.6Confident37 Ų3749.6 Ų49.616%0.16227%0.268CS..G310 helixtrans-119.84-171.5-56.3-86.4000114.1V498 F500 R501 N505 A506 A510 L511 S514V498-F503 HydrophobicContact CG1-CD2 4.2Å; V498-F503 HydrophobicContact CG1-CE2 3.32Å; V498-F503 HydrophobicContact CG1-CZ 3.92Å; F500-F503 PolarHBondContact O-N 2.95Å; R501-F503 PolarHBondContact O-N 2.9Å; F503-N505 PolarHBondContact O-N 2.75Å; F503-N505 VanDerWaalsContact O-N 3.07Å; F503-A506 HydrophobicContact CB-CB 4.11Å; F503-A506 HydrophobicContact CD1-CB 4.09Å; F503-A506 PolarHBondContact O-N 2.84Å; F503-A510 HydrophobicContact CD1-CB 3.8Å; F503-A510 HydrophobicContact CE1-CB 4.15Å; F503-A510 VanDerWaalsContact CE1-O 3.32Å; F503-A510 WeakPolarHBondContact CE1-O 3.28Å; F503-L511 HydrophobicContact CB-CB 4.2Å; F503-L511 HydrophobicContact CD1-CB 4.3Å; F503-L511 HydrophobicContact CD2-CB 4.48Å; F503-L511 HydrophobicContact CD2-CD1 3.66Å; F503-L511 HydrophobicContact CE2-CD1 4.05Å; F503-L511 HydrophobicContact CG-CB 4.06Å; F503-L511 HydrophobicContact CG-CD1 4.1Å; F503-S514 VanDerWaalsContact CZ-CB 3.46Å
504Q77.3Confident86.4Confident114 Ų11448.9 Ų48.953%0.53327%0.268SS..THydrogen-bonded Turntrans-56.9-28.2-178.5-73.9178.3-11.600113.6E329 F500E329-Q504 PolarHBondContact OE1-NE2 2.83Å; F500-Q504 HydrophobicContact CD1-CG 4.37Å; F500-Q504 HydrophobicContact CE1-CG 4.25Å
505N78.6Confident86.1Confident170 Ų17048.9 Ų48.991%0.90927%0.268SS*.THydrogen-bonded Turntrans-112.610.1176.2-62-51.9000113.3F503F503-N505 PolarHBondContact O-N 2.75Å; F503-N505 VanDerWaalsContact O-N 3.07Å
506A79.3Confident85.9Confident36 Ų3648.8 Ų48.830%0.29827%0.268SS..SBendtrans-91.9159.8-178.800000110.9F503 A510F503-A506 HydrophobicContact CB-CB 4.11Å; F503-A506 HydrophobicContact CD1-CB 4.09Å; F503-A506 PolarHBondContact O-N 2.84Å; A506-A510 HydrophobicContact CB-CB 3.8Å
507P74.9Confident85.5Confident88 Ų8849.6 Ų49.657%0.57128%0.277SS*.  trans-54144.9167.8-22.533.2000110.7Q509 A510P507-Q509 PolarHBondContact O-N 2.96Å; P507-A510 VanDerWaalsContact O-CB 3.29Å; P507-A510 WeakPolarHBondContact O-CB 3.34Å; P507-A510 PolarHBondContact O-N 2.88Å
508S67.2Low85.3Confident102 Ų10251.5 Ų51.571%0.71329%0.286SS*.Hα-helixtrans-56-25.4-177.3-53.90000113.7
509Q75.1Confident85.2Confident65 Ų6551.6 Ų51.630%0.30429%0.286SS..Hα-helixtrans-73-27.4176.5-60.486.1-13.900113.3P507 L511 A512 Q513P507-Q509 PolarHBondContact O-N 2.96Å; Q509-L511 VanDerWaalsContact C-N 3.31Å; Q509-L511 PolarHBondContact O-N 2.9Å; Q509-A512 PolarHBondContact O-N 3.38Å; Q509-Q513 WeakPolarHBondContact O-CB 3.31Å; Q509-Q513 VanDerWaalsContact O-CG 3.29Å; Q509-Q513 WeakPolarHBondContact O-CG 3.44Å; Q509-Q513 PolarHBondContact O-N 2.84Å
510A85.8Confident85.2Confident19 Ų1951.2 Ų51.216%0.15728%0.284CS..Hα-helixtrans-64.7-35.5-17200000112.6F503 A506 P507 Q513 S514F503-A510 HydrophobicContact CD1-CB 3.8Å; F503-A510 HydrophobicContact CE1-CB 4.15Å; F503-A510 VanDerWaalsContact CE1-O 3.32Å; F503-A510 WeakPolarHBondContact CE1-O 3.28Å; A506-A510 HydrophobicContact CB-CB 3.8Å; P507-A510 VanDerWaalsContact O-CB 3.29Å; P507-A510 WeakPolarHBondContact O-CB 3.34Å; P507-A510 PolarHBondContact O-N 2.88Å; A510-Q513 PolarHBondContact O-N 3.35Å; A510-S514 PolarHBondContact O-N 2.89Å
511L87.5Confident85.1Confident7 Ų755.2 Ų55.24%0.03730%0.303CS..Hα-helixtrans-63.9-50.4174.917764.1000110.9A336 V498 F500 F503 Q509 Q513 S514 V515A336-L511 HydrophobicContact CB-CB 4.48Å; A336-L511 HydrophobicContact CB-CD2 3.86Å; A336-L511 HydrophobicContact CB-CG 4.4Å; V498-L511 HydrophobicContact CG1-CD1 3.97Å; F500-L511 HydrophobicContact CD2-CD1 4.36Å; F500-L511 HydrophobicContact CD2-CD2 3.49Å; F500-L511 VanDerWaalsContact CD2-CD2 3.49Å; F500-L511 HydrophobicContact CE2-CD2 3.44Å; F500-L511 VanDerWaalsContact CE2-CD2 3.44Å; F503-L511 HydrophobicContact CB-CB 4.2Å; F503-L511 HydrophobicContact CD1-CB 4.3Å; F503-L511 HydrophobicContact CD2-CB 4.48Å; F503-L511 HydrophobicContact CD2-CD1 3.66Å; F503-L511 HydrophobicContact CE2-CD1 4.05Å; F503-L511 HydrophobicContact CG-CB 4.06Å; F503-L511 HydrophobicContact CG-CD1 4.1Å; Q509-L511 VanDerWaalsContact C-N 3.31Å; Q509-L511 PolarHBondContact O-N 2.9Å; L511-Q513 VanDerWaalsContact C-N 3.26Å; L511-Q513 PolarHBondContact O-N 3.11Å; L511-S514 PolarHBondContact O-N 3.08Å; L511-V515 HydrophobicContact CD1-CG2 3.86Å; L511-V515 HydrophobicContact CG-CG2 4.23Å; L511-V515 VanDerWaalsContact O-CB 3.3Å; L511-V515 WeakPolarHBondContact O-CB 3.31Å; L511-V515 WeakPolarHBondContact O-CG2 3.29Å; L511-V515 PolarHBondContact O-N 3.05Å
512A87.6Confident85.3Confident2 Ų251.5 Ų51.52%0.01729%0.289CS..Hα-helixtrans-61.3-38.7179.100000111.4A336 V340 Q509 V515 L516A336-A512 WeakPolarHBondContact O-CB 3.37Å; V340-A512 HydrophobicContact CG2-CB 3.84Å; Q509-A512 PolarHBondContact O-N 3.38Å; A512-V515 PolarHBondContact O-N 2.79Å; A512-L516 VanDerWaalsContact O-CB 3.23Å; A512-L516 WeakPolarHBondContact O-CB 3.33Å; A512-L516 WeakPolarHBondContact O-CG 3.28Å; A512-L516 PolarHBondContact O-N 3.2Å
513Q87.1Confident85.5Confident81 Ų8147.1 Ų47.138%0.37927%0.266SS..Hα-helixtrans-56.2-52.2174-75.1176.3-24.300112.4E79 V80 Q509 A510 L511 A517E79-Q513 HydrophobicContact CB-CG 4.35Å; E79-Q513 HydrophobicContact CG-CB 4.02Å; E79-Q513 HydrophobicContact CG-CG 3.57Å; V80-Q513 HydrophobicContact CG2-CG 4.28Å; Q509-Q513 WeakPolarHBondContact O-CB 3.31Å; Q509-Q513 VanDerWaalsContact O-CG 3.29Å; Q509-Q513 WeakPolarHBondContact O-CG 3.44Å; Q509-Q513 PolarHBondContact O-N 2.84Å; A510-Q513 PolarHBondContact O-N 3.35Å; L511-Q513 VanDerWaalsContact C-N 3.26Å; L511-Q513 PolarHBondContact O-N 3.11Å; Q513-A517 WeakPolarHBondContact O-CB 3.31Å; Q513-A517 PolarHBondContact O-N 3.12Å; Q513-A517 VanDerWaalsContact O-N 3.16Å
514S88.6Confident85.8Confident45 Ų4546.3 Ų46.332%0.31526%0.264SS..Hα-helixtrans-67.1-37.9179.2-168.90000112.5F503 A510 L511F503-S514 VanDerWaalsContact CZ-CB 3.46Å; A510-S514 PolarHBondContact O-N 2.89Å; L511-S514 PolarHBondContact O-N 3.08Å
515V88.3Confident86.5Confident1 Ų142.9 Ų42.91%0.00625%0.251CS..Hα-helixtrans-70.8-35.9-176.6165.10000112.4V337 I460 V462 V498 L511 A512V337-V515 HydrophobicContact CG1-CG1 4.04Å; V337-V515 HydrophobicContact CG2-CB 4.16Å; V337-V515 HydrophobicContact CG2-CG1 3.62Å; V337-V515 HydrophobicContact CG2-CG2 4.27Å; I460-V515 HydrophobicContact CD1-CG1 4.04Å; I460-V515 HydrophobicContact CG2-CG1 3.34Å; V462-V515 HydrophobicContact CG2-CG2 3.92Å; V498-V515 HydrophobicContact CB-CG2 3.81Å; V498-V515 HydrophobicContact CG1-CG2 4.04Å; V498-V515 HydrophobicContact CG2-CB 4.43Å; V498-V515 HydrophobicContact CG2-CG2 3.76Å; L511-V515 HydrophobicContact CD1-CG2 3.86Å; L511-V515 HydrophobicContact CG-CG2 4.23Å; L511-V515 VanDerWaalsContact O-CB 3.3Å; L511-V515 WeakPolarHBondContact O-CB 3.31Å; L511-V515 WeakPolarHBondContact O-CG2 3.29Å; L511-V515 PolarHBondContact O-N 3.05Å; A512-V515 PolarHBondContact O-N 2.79Å
516L90.1Very high87.4Confident0 Ų034.9 Ų34.90%021%0.208CC..Hα-helixtrans-100.9-3.3-172.6-65.3175.7000113.6F78 E79 V337 V340 I341 I460 A512 E518 L519 P520F78-L516 HydrophobicContact CD1-CB 4.12Å; F78-L516 HydrophobicContact CE1-CB 3.75Å; F78-L516 HydrophobicContact CE1-CD1 4.39Å; F78-L516 HydrophobicContact CE1-CD2 4.19Å; F78-L516 HydrophobicContact CE1-CG 4.33Å; E79-L516 HydrophobicContact CB-CB 3.97Å; V337-L516 HydrophobicContact CG1-CD2 4.16Å; V340-L516 HydrophobicContact CB-CD1 3.59Å; V340-L516 HydrophobicContact CG1-CD1 3.43Å; V340-L516 VanDerWaalsContact CG1-CD1 3.43Å; V340-L516 HydrophobicContact CG2-CD1 4.2Å; I341-L516 HydrophobicContact CG2-CD1 4.11Å; I341-L516 HydrophobicContact CG2-CD2 3.79Å; I460-L516 HydrophobicContact CD1-CD2 3.94Å; A512-L516 VanDerWaalsContact O-CB 3.23Å; A512-L516 WeakPolarHBondContact O-CB 3.33Å; A512-L516 WeakPolarHBondContact O-CG 3.28Å; A512-L516 PolarHBondContact O-N 3.2Å; L516-E518 VanDerWaalsContact C-N 3.3Å; L516-E518 PolarHBondContact O-N 3.38Å; L516-L519 HydrophobicContact CD2-CD2 4.19Å; L516-L519 PolarHBondContact O-N 3.11Å; L516-P520 WeakPolarHBondContact O-CD 3.12Å
517A85.4Confident88.1Confident34 Ų3433.2 Ų33.228%0.28119%0.194SC..THydrogen-bonded Turntrans-53.6-42.1-172.900000113.7T12 Q513T12-A517 HydrophobicContact CG2-CB 4.24Å; Q513-A517 WeakPolarHBondContact O-CB 3.31Å; Q513-A517 PolarHBondContact O-N 3.12Å; Q513-A517 VanDerWaalsContact O-N 3.16Å
518E88.9Confident88.9Confident50 Ų5031.9 Ų31.923%0.23419%0.187CC..THydrogen-bonded Turntrans-89.5-17.7-174.3-67.2-162.5174.100114.6Q496 L516 Q521 Q522Q496-E518 PolarHBondContact OE1-OE1 3.36Å; L516-E518 VanDerWaalsContact C-N 3.3Å; L516-E518 PolarHBondContact O-N 3.38Å; E518-Q521 PolarHBondContact O-N 3.46Å; E518-Q522 HydrophobicContact CB-CG 4.35Å; E518-Q522 WeakPolarHBondContact O-CG 3.48Å; E518-Q522 PolarHBondContact O-N 2.87Å; E518-Q522 PolarHBondContact OE2-NE2 3.1Å; E518-Q522 VanDerWaalsContact OE2-NE2 3.12Å
519L92.4Very high90.1Very high3 Ų331.8 Ų31.82%0.01618%0.178CC..Hα-helixtrans-58.6-44.7-170.5178.560.9000112.7F78 Y428 V430 L516 Q521 Q522 V523F78-L519 HydrophobicContact CE1-CB 4.06Å; F78-L519 HydrophobicContact CE1-CD2 3.86Å; F78-L519 HydrophobicContact CE1-CG 4.24Å; F78-L519 HydrophobicContact CZ-CD2 3.68Å; F78-L519 HydrophobicContact CZ-CG 4.34Å; Y428-L519 HydrophobicContact CE1-CD1 4.01Å; V430-L519 HydrophobicContact CG1-CD2 4.36Å; V430-L519 HydrophobicContact CG2-CD1 3.65Å; V430-L519 HydrophobicContact CG2-CD2 3.87Å; V430-L519 HydrophobicContact CG2-CG 4.42Å; L516-L519 HydrophobicContact CD2-CD2 4.19Å; L516-L519 PolarHBondContact O-N 3.11Å; L519-Q521 VanDerWaalsContact C-N 3.28Å; L519-Q521 PolarHBondContact O-N 2.88Å; L519-Q522 PolarHBondContact O-N 3.01Å; L519-V523 HydrophobicContact CD1-CG2 4.06Å; L519-V523 HydrophobicContact CG-CG2 4.46Å; L519-V523 VanDerWaalsContact O-CG2 3.29Å; L519-V523 WeakPolarHBondContact O-CG2 3.26Å; L519-V523 PolarHBondContact O-N 3.15Å
520P92.8Very high90.9Very high14 Ų1431.9 Ų31.99%0.09118%0.178CC..Hα-helixtrans-55.3-41.5175-28.337.3000113.6F78 F288 L516 T524F78-P520 HydrophobicContact CB-CG 4.04Å; F78-P520 HydrophobicContact CD1-CG 3.48Å; F78-P520 VanDerWaalsContact CD1-CG 3.48Å; F78-P520 HydrophobicContact CE1-CG 4.11Å; F78-P520 HydrophobicContact CG-CG 3.82Å; F288-P520 HydrophobicContact CB-CB 3.88Å; F288-P520 HydrophobicContact CD1-CB 4.22Å; F288-P520 HydrophobicContact CD1-CG 4.4Å; F288-P520 HydrophobicContact CD2-CB 4.04Å; F288-P520 HydrophobicContact CG-CB 3.78Å; F288-P520 HydrophobicContact CG-CG 4.38Å; L516-P520 WeakPolarHBondContact O-CD 3.12Å; P520-T524 WeakPolarHBondContact O-CG2 3.33Å; P520-T524 PolarHBondContact O-N 3.36Å; P520-T524 VanDerWaalsContact O-N 3.1Å; P520-T524 PolarHBondContact O-OG1 3.28Å
521Q91.3Very high91.2Very high109 Ų10939.7 Ų39.751%0.50921%0.209SC..Hα-helixtrans-71.9-39.5179.6-176.15836.800111.7E518 L519 V523 T524 T525E518-Q521 PolarHBondContact O-N 3.46Å; L519-Q521 VanDerWaalsContact C-N 3.28Å; L519-Q521 PolarHBondContact O-N 2.88Å; Q521-V523 VanDerWaalsContact C-N 3.32Å; Q521-V523 PolarHBondContact O-N 3.28Å; Q521-T524 PolarHBondContact O-N 3.02Å; Q521-T524 PolarHBondContact O-OG1 3.42Å; Q521-T524 VanDerWaalsContact O-OG1 3.14Å; Q521-T525 PolarHBondContact NE2-OG1 2.76Å; Q521-T525 WeakPolarHBondContact O-CB 3.46Å; Q521-T525 PolarHBondContact O-N 2.91Å; Q521-T525 PolarHBondContact O-OG1 3.2Å
522Q94.6Very high91.5Very high11 Ų1140.8 Ų40.85%0.05122%0.215CC..Hα-helixtrans-62.7-40177.3-67.7177.34.800111.2S458 E518 L519 F526S458-Q522 PolarHBondContact OG-OE1 3.28Å; E518-Q522 HydrophobicContact CB-CG 4.35Å; E518-Q522 WeakPolarHBondContact O-CG 3.48Å; E518-Q522 PolarHBondContact O-N 2.87Å; E518-Q522 PolarHBondContact OE2-NE2 3.1Å; E518-Q522 VanDerWaalsContact OE2-NE2 3.12Å; L519-Q522 PolarHBondContact O-N 3.01Å; Q522-F526 WeakPolarHBondContact O-CB 3.29Å; Q522-F526 PolarHBondContact O-N 2.85Å; Q522-F526 VanDerWaalsContact O-N 3.11Å
523V95.2Very high91.8Very high1 Ų146.8 Ų46.81%0.00624%0.24CC..Hα-helixtrans-63.5-54.9175.3172.80000111.6F288 I298 Y428 L519 Q521 T525 F526 F527F288-V523 HydrophobicContact CD2-CB 4.12Å; F288-V523 HydrophobicContact CD2-CG1 4.09Å; F288-V523 HydrophobicContact CD2-CG2 4.45Å; F288-V523 HydrophobicContact CE2-CB 4.35Å; F288-V523 HydrophobicContact CE2-CG1 4.33Å; F288-V523 HydrophobicContact CE2-CG2 4.19Å; I298-V523 HydrophobicContact CD1-CG2 4.39Å; Y428-V523 HydrophobicContact CD1-CG2 3.68Å; Y428-V523 HydrophobicContact CD2-CB 4.47Å; Y428-V523 HydrophobicContact CD2-CG1 4.37Å; Y428-V523 HydrophobicContact CD2-CG2 4.04Å; Y428-V523 HydrophobicContact CE1-CG2 3.64Å; Y428-V523 HydrophobicContact CE2-CB 4.38Å; Y428-V523 HydrophobicContact CE2-CG2 4.02Å; Y428-V523 HydrophobicContact CG-CG2 3.88Å; L519-V523 HydrophobicContact CD1-CG2 4.06Å; L519-V523 HydrophobicContact CG-CG2 4.46Å; L519-V523 VanDerWaalsContact O-CG2 3.29Å; L519-V523 WeakPolarHBondContact O-CG2 3.26Å; L519-V523 PolarHBondContact O-N 3.15Å; Q521-V523 VanDerWaalsContact C-N 3.32Å; Q521-V523 PolarHBondContact O-N 3.28Å; V523-T525 VanDerWaalsContact C-N 3.32Å; V523-T525 PolarHBondContact O-N 3.28Å; V523-F526 PolarHBondContact O-N 2.9Å; V523-F527 HydrophobicContact CG1-CD2 3.81Å; V523-F527 HydrophobicContact CG1-CE2 3.64Å; V523-F527 WeakPolarHBondContact O-CD2 3.45Å; V523-F527 PolarHBondContact O-N 3.46Å; V523-F527 VanDerWaalsContact O-N 3.15Å
524T93.4Very high92Very high20 Ų2043.1 Ų43.112%0.12322%0.224CC..Hα-helixtrans-64.2-38.5-177.355.80000111.7F288 Y291 P520 Q521 S528F288-T524 HydrophobicContact CB-CG2 4.06Å; F288-T524 VanDerWaalsContact N-CG2 3.29Å; Y291-T524 HydrophobicContact CD2-CG2 4.32Å; Y291-T524 HydrophobicContact CE2-CG2 4.28Å; P520-T524 WeakPolarHBondContact O-CG2 3.33Å; P520-T524 PolarHBondContact O-N 3.36Å; P520-T524 VanDerWaalsContact O-N 3.1Å; P520-T524 PolarHBondContact O-OG1 3.28Å; Q521-T524 PolarHBondContact O-N 3.02Å; Q521-T524 PolarHBondContact O-OG1 3.42Å; Q521-T524 VanDerWaalsContact O-OG1 3.14Å; T524-S528 WeakPolarHBondContact O-CB 3.26Å; T524-S528 PolarHBondContact O-N 2.81Å
525T93.1Very high92Very high42 Ų4243.7 Ų43.726%0.25823%0.226SC..Hα-helixtrans-59.7-47.5175.4-61.40000111Q521 V523 L529Q521-T525 PolarHBondContact NE2-OG1 2.76Å; Q521-T525 WeakPolarHBondContact O-CB 3.46Å; Q521-T525 PolarHBondContact O-N 2.91Å; Q521-T525 PolarHBondContact O-OG1 3.2Å; V523-T525 VanDerWaalsContact C-N 3.32Å; V523-T525 PolarHBondContact O-N 3.28Å; T525-L529 HydrophobicContact CG2-CD1 3.87Å; T525-L529 HydrophobicContact CG2-CG 4.38Å; T525-L529 WeakPolarHBondContact O-CB 3.4Å; T525-L529 VanDerWaalsContact O-CG 3.23Å; T525-L529 WeakPolarHBondContact O-CG 3.46Å; T525-L529 PolarHBondContact O-N 2.74Å
526F96.1Very high91.9Very high2 Ų249.6 Ų49.61%0.00925%0.254CS..Hα-helixtrans-60.4-52.7179.7172.5-92.6000112L420 Y428 L455 P456 Q522 V523 S528 L529 H530L420-F526 HydrophobicContact CD1-CZ 4.04Å; Y428-F526 HydrophobicContact CD2-CD1 4.44Å; Y428-F526 HydrophobicContact CE2-CB 4.04Å; Y428-F526 HydrophobicContact CE2-CD1 4.28Å; Y428-F526 HydrophobicContact CE2-CG 4.23Å; L455-F526 WeakPolarHBondContact O-CD2 3.45Å; L455-F526 WeakPolarHBondContact O-CE2 3.46Å; P456-F526 HydrophobicContact CB-CD1 3.93Å; P456-F526 HydrophobicContact CB-CE1 3.45Å; P456-F526 VanDerWaalsContact CB-CE1 3.45Å; P456-F526 HydrophobicContact CB-CE2 4.38Å; P456-F526 HydrophobicContact CB-CZ 3.69Å; P456-F526 HydrophobicContact CG-CE1 4.26Å; P456-F526 HydrophobicContact CG-CZ 4.11Å; Q522-F526 WeakPolarHBondContact O-CB 3.29Å; Q522-F526 PolarHBondContact O-N 2.85Å; Q522-F526 VanDerWaalsContact O-N 3.11Å; V523-F526 PolarHBondContact O-N 2.9Å; F526-S528 VanDerWaalsContact C-N 3.35Å; F526-S528 PolarHBondContact O-N 3.35Å; F526-L529 PolarHBondContact O-N 2.75Å; F526-H530 AromaticContact CD2-CE1 3.63Å; F526-H530 AromaticContact CD2-ND1 3.68Å; F526-H530 AromaticContact CE2-CE1 3.2Å; F526-H530 WeakPolarHBondContact CE2-CE1 3.41Å; F526-H530 AromaticContact CE2-ND1 3.43Å; F526-H530 WeakPolarHBondContact CE2-ND1 3.42Å; F526-H530 AromaticContact CE2-NE2 3.95Å; F526-H530 AromaticContact CZ-CE1 3.78Å; F526-H530 AromaticContact CZ-ND1 3.69Å; F526-H530 PolarHBondContact O-N 3.47Å; F526-H530 PolarHBondContact O-ND1 3.09Å
527F95.6Very high90.9Very high1 Ų152.2 Ų52.20%0.00427%0.268CS..Hα-helixtrans-67.2-36.3-177.4-68.3-46.8000112.3Y291 A425 Y428 V523 H530 K531 L532Y291-F527 AromaticContact CD1-CD2 3.61Å; Y291-F527 HydrophobicContact CD1-CD2 3.61Å; Y291-F527 HydrophobicContact CD1-CE2 4.07Å; Y291-F527 HydrophobicContact CD1-CG 4.23Å; Y291-F527 HydrophobicContact CD2-CD2 4.09Å; Y291-F527 HydrophobicContact CE1-CB 3.63Å; Y291-F527 AromaticContact CE1-CD2 3.59Å; Y291-F527 HydrophobicContact CE1-CD2 3.59Å; Y291-F527 HydrophobicContact CE1-CE2 4.44Å; Y291-F527 AromaticContact CE1-CG 3.77Å; Y291-F527 HydrophobicContact CE1-CG 3.77Å; Y291-F527 HydrophobicContact CE2-CB 4.14Å; Y291-F527 HydrophobicContact CE2-CD2 4.09Å; Y291-F527 AromaticContact CG-CD2 3.89Å; Y291-F527 HydrophobicContact CG-CD2 3.89Å; Y291-F527 HydrophobicContact CG-CE2 4.29Å; Y291-F527 VanDerWaalsContact CZ-CB 3.41Å; Y291-F527 AromaticContact CZ-CD2 3.85Å; Y291-F527 AromaticContact CZ-CG 3.98Å; Y291-F527 VanDerWaalsContact OH-CB 3.24Å; Y291-F527 WeakPolarHBondContact OH-CB 3.02Å; A425-F527 HydrophobicContact CB-CD1 3.65Å; A425-F527 HydrophobicContact CB-CD2 4.13Å; A425-F527 HydrophobicContact CB-CE1 3.64Å; A425-F527 HydrophobicContact CB-CE2 4.09Å; A425-F527 HydrophobicContact CB-CG 3.93Å; A425-F527 HydrophobicContact CB-CZ 3.86Å; Y428-F527 HydrophobicContact CD2-CE2 4.32Å; Y428-F527 HydrophobicContact CD2-CZ 4.12Å; V523-F527 HydrophobicContact CG1-CD2 3.81Å; V523-F527 HydrophobicContact CG1-CE2 3.64Å; V523-F527 WeakPolarHBondContact O-CD2 3.45Å; V523-F527 PolarHBondContact O-N 3.46Å; V523-F527 VanDerWaalsContact O-N 3.15Å; F527-H530 CarbonylContact O-C 3.1Å; F527-H530 PolarHBondContact O-N 3.42Å; F527-K531 PolarHBondContact O-N 3.4Å; F527-L532 HydrophobicContact CB-CB 4.37Å; F527-L532 HydrophobicContact CD1-CB 4.16Å; F527-L532 HydrophobicContact CD1-CD1 3.98Å; F527-L532 HydrophobicContact CE1-CD1 4.46Å; F527-L532 PolarHBondContact O-N 2.95Å
528S90.9Very high89.4Confident61 Ų6152.7 Ų52.743%0.42727%0.268SS..Hα-helixtrans-63.2-45.3174.9-175.70000112.3T524 F526 H530 K531T524-S528 WeakPolarHBondContact O-CB 3.26Å; T524-S528 PolarHBondContact O-N 2.81Å; F526-S528 VanDerWaalsContact C-N 3.35Å; F526-S528 PolarHBondContact O-N 3.35Å; S528-H530 PolarHBondContact O-N 2.58Å; S528-K531 PolarHBondContact O-N 2.67Å
529L91.5Very high87.1Confident100 Ų10054.5 Ų54.552%0.52429%0.286SS..Hα-helixtrans-58.9-37.7176-76.6170.7000112.1T525 F526 K531T525-L529 HydrophobicContact CG2-CD1 3.87Å; T525-L529 HydrophobicContact CG2-CG 4.38Å; T525-L529 WeakPolarHBondContact O-CB 3.4Å; T525-L529 VanDerWaalsContact O-CG 3.23Å; T525-L529 WeakPolarHBondContact O-CG 3.46Å; T525-L529 PolarHBondContact O-N 2.74Å; F526-L529 PolarHBondContact O-N 2.75Å; L529-K531 VanDerWaalsContact C-N 3.33Å
530H93Very high84.7Confident66 Ų6660.2 Ų60.231%0.30632%0.324SS..THydrogen-bonded Turntrans-87.90.6178.4-66.382.7000113.6F526 F527 S528 L532F526-H530 AromaticContact CD2-CE1 3.63Å; F526-H530 AromaticContact CD2-ND1 3.68Å; F526-H530 AromaticContact CE2-CE1 3.2Å; F526-H530 WeakPolarHBondContact CE2-CE1 3.41Å; F526-H530 AromaticContact CE2-ND1 3.43Å; F526-H530 WeakPolarHBondContact CE2-ND1 3.42Å; F526-H530 AromaticContact CE2-NE2 3.95Å; F526-H530 AromaticContact CZ-CE1 3.78Å; F526-H530 AromaticContact CZ-ND1 3.69Å; F526-H530 PolarHBondContact O-N 3.47Å; F526-H530 PolarHBondContact O-ND1 3.09Å; F527-H530 CarbonylContact O-C 3.1Å; F527-H530 PolarHBondContact O-N 3.42Å; S528-H530 PolarHBondContact O-N 2.58Å; H530-L532 HydrophobicContact CB-CD1 4.02Å; H530-L532 HydrophobicContact CB-CG 3.86Å; H530-L532 PolarHBondContact O-N 3.49Å
531K92Very high81.7Confident183 Ų18368.7 Ų68.780%0.79638%0.383SS*.THydrogen-bonded Turntrans55.532.4-177.9-53.7176.7-177.9175.10113.2F527 S528 L529F527-K531 PolarHBondContact O-N 3.4Å; S528-K531 PolarHBondContact O-N 2.67Å; L529-K531 VanDerWaalsContact C-N 3.33Å
532L93.6Very high81.2Confident30 Ų3066.7 Ų66.716%0.15738%0.377CS..PPolyproline II helixtrans-85.8140.4177.5-60.4-179.9000109.6Y291 Q423 A425 F527 H530Y291-L532 PolarHBondContact OH-O 2.62Å; Y291-L532 VanDerWaalsContact OH-O 3.08Å; Q423-L532 WeakPolarHBondContact O-CD2 3.32Å; A425-L532 HydrophobicContact CB-CB 4.14Å; F527-L532 HydrophobicContact CB-CB 4.37Å; F527-L532 HydrophobicContact CD1-CB 4.16Å; F527-L532 HydrophobicContact CD1-CD1 3.98Å; F527-L532 HydrophobicContact CE1-CD1 4.46Å; F527-L532 PolarHBondContact O-N 2.95Å; H530-L532 HydrophobicContact CB-CD1 4.02Å; H530-L532 HydrophobicContact CB-CG 3.86Å; H530-L532 PolarHBondContact O-N 3.49Å
533K93.3Very high80.5Confident128 Ų12869.6 Ų69.656%0.55739%0.394SS*.PPolyproline II helixtrans-101.5157.9177-60.9-175.4169-166.30109.9Y286 A425Y286-K533 HydrophobicContact CE2-CB 4.1Å; Y286-K533 HydrophobicContact CE2-CD 4.38Å; Y286-K533 HydrophobicContact CE2-CG 3.77Å; Y286-K533 WeakPolarHBondContact OH-CD 3.38Å; A425-K533 VanDerWaalsContact CB-O 3.25Å; A425-K533 WeakPolarHBondContact CB-O 3.46Å
534P91.9Very high79.6Confident5 Ų573.4 Ų73.43%0.03242%0.415CS..PPolyproline II helixtrans-50.2141.8169.4-26.634.7000111.6Y286 D290 Y291 Q536Y286-P534 HydrophobicContact CD1-CG 3.39Å; Y286-P534 VanDerWaalsContact CE1-CD 3.41Å; Y286-P534 HydrophobicContact CE1-CG 3.82Å; Y286-P534 VanDerWaalsContact CG-CD 3.44Å; Y286-P534 HydrophobicContact CG-CG 3.79Å; D290-P534 HydrophobicContact CB-CG 4.11Å; D290-P534 WeakPolarHBondContact O-CB 3.36Å; Y291-P534 HydrophobicContact CD1-CB 4.23Å; Y291-P534 HydrophobicContact CD1-CG 3.86Å; Y291-P534 HydrophobicContact CE1-CG 4.02Å; Y291-P534 HydrophobicContact CG-CG 4.32Å; P534-Q536 VanDerWaalsContact C-N 3.25Å; P534-Q536 PolarHBondContact O-N 3.11Å
535P89.2Confident78.8Confident56 Ų5676.5 Ų76.536%0.36443%0.432SS..SBendtrans-56-41-175.3-25.332.3000113.1G294 A425G294-P535 WeakPolarHBondContact O-CB 3.2Å; G294-P535 WeakPolarHBondContact O-CD 3.4Å; A425-P535 WeakPolarHBondContact O-CD 3.21Å; A425-P535 WeakPolarHBondContact O-CG 3.45Å
536Q85.8Confident77.9Confident126 Ų12678.7 Ų78.759%0.58944%0.443SS*.SBendtrans-111.595169.7-59.4-179.811.800107.9G294 P534 P538G294-Q536 WeakPolarHBondContact CA-O 3.12Å; G294-Q536 WeakPolarHBondContact O-CB 3.48Å; G294-Q536 PolarHBondContact O-N 3.37Å; P534-Q536 VanDerWaalsContact C-N 3.25Å; P534-Q536 PolarHBondContact O-N 3.11Å; Q536-P538 WeakPolarHBondContact O-CD 3.13Å; Q536-P538 VanDerWaalsContact O-N 3.14Å
537D68.5Low76.7Confident54 Ų5483.8 Ų83.829%0.28947%0.472SS..  trans-63.6114.9172.6-161-10.8000107.3Y286 S539Y286-D537 PolarHBondContact OH-OD2 3.14Å; D537-S539 PolarHBondContact O-N 3.26Å
538P55.5Low75.4Confident44 Ų4489.7 Ų89.729%0.28651%0.506SS..  trans-66.987166.429.4-29.3000105.4Q536Q536-P538 WeakPolarHBondContact O-CD 3.13Å; Q536-P538 VanDerWaalsContact O-N 3.14Å
539S40.8Very low74.2Confident89 Ų8991.9 Ų91.962%0.62251%0.512SS*.  trans-51.3128.1166.6-54.30000105.3D537 S541D537-S539 PolarHBondContact O-N 3.26Å; S539-S541 PolarHBondContact O-N 2.63Å
540P40.5Very low72.8Confident123 Ų12391.3 Ų91.380%0.79951%0.511SS*.  trans-58.8114.7172.123.5-29.3000106.6
541S29.2Very low70.9Confident191 Ų19193.5 Ų93.5100%1.33653%0.53SS*.  trans-66.30165.948.80000110.3S539S539-S541 PolarHBondContact O-N 2.63Å

Retrieved 541 of 541 residues in 1379.2 ms (Link to these results)

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