A0A096LYY2_POEFO Loading...

Fibronectin type III domain containing 7

AlphaFold DB , UniProt , Accession A0A096LYY2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 816 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.2Very low28.7Very low244 Ų244178.8 Ų178.8100%1.20284%0.835SS**  093.50178.9-173.2-8300109
2V28.6Very low28.6Very low135 Ų135175.3 Ų175.382%0.81883%0.825SS**  trans-143126.8169.4176.60000107L4V2-L4 HydrophobicContact CG1-CD1 4.31Å
3R27.8Very low28.7Very low229 Ų229173.9 Ų173.986%0.86483%0.825SS**  trans-90132.6174.4-82.8178.4167.7177.6-4109.5
4L26.3Very low28.8Very low152 Ų152166.7 Ų166.780%0.79681%0.809SS**  trans-124.1120.7149.3-99.688.1000109.6V2V2-L4 HydrophobicContact CG1-CD1 4.31Å
5H29.1Very low28.9Very low161 Ų161169 Ų16975%0.74581%0.814SS**  trans-81.9146.3158.2-87.99.4000109.1
6R26.2Very low29.1Very low244 Ų244166.8 Ų166.892%0.92181%0.814SS**  trans-129.5121.2148.1-88.2-166.1172.7-168-1.2110.8
7I29.9Very low29.3Very low141 Ų141161.2 Ų161.272%0.72381%0.811SS**  trans-73.9144.5173.1-67.5153.2000108.7
8K27.4Very low29.5Very low196 Ų196160.7 Ų160.785%0.85282%0.816SS**  trans-126.1113.6149.3-90.9-168.3174.7-177.70110.3
9L27.6Very low29.6Very low139 Ų139158.1 Ų158.173%0.72881%0.813SS**  trans-71.5141.8165.8-162.576.7000108.1L11L9-L11 HydrophobicContact CD2-CD1 3.87Å
10F28.1Very low29.7Very low200 Ų200157 Ų15788%0.87781%0.814SS**  trans-123.6139.8164.7-113.1-80.4000110.2
11L28.3Very low29.9Very low126 Ų126154 Ų15466%0.6681%0.813SS**  trans-124.3126.1-163.4-142.2105.2000110.8L9L9-L11 HydrophobicContact CD2-CD1 3.87Å
12L27.5Very low30.1Very low136 Ų136150.4 Ų150.471%0.71279%0.793SS**  trans61.4135.1148.8-95.274.4000123.4
13L30.7Very low31.2Very low158 Ų158149 Ų14983%0.82778%0.781SS**  trans86.8130.3137.8-73.8168.6000122.5
14A29.1Very low33.2Very low73 Ų73143 Ų14360%0.60377%0.766SS**  trans-84.3178.2164.100000110.4
15F30.9Very low36Very low201 Ų201136.1 Ų136.188%0.88273%0.73SS**  cis-140.9-177.812.2-87.8-81.3000108
16T31.2Very low38.7Very low133 Ų133133 Ų13382%0.81672%0.722SS**  cis-130.8170.211.143.40000111.9
17G33.9Very low41.7Very low73 Ų73122.5 Ų122.575%0.75368%0.684SS**  trans-90.5150.5-177.900000116.7
18V33Very low44.4Very low151 Ų151118.8 Ų118.892%0.91567%0.671SS**  trans-120.9142.9144.2179.20000105.5
19C30Very low47.2Very low111 Ų111111.2 Ų111.275%0.7564%0.641SS**  trans-93.5164-167-156.80000113.3
20T32.1Very low49.9Very low137 Ų137110.6 Ų110.684%0.8463%0.633SS**  trans73.3138-179.575.10000115.5
21A34.6Very low52.6Low95 Ų95104.3 Ų104.379%0.78561%0.61SS**  cis-131.3167-400000111.4
22Q39.4Very low55.3Low167 Ų16799.4 Ų99.478%0.7859%0.586SS**  trans-102.5118-169.6-173.8167-41.100111.5D24Q22-D24 PolarHBondContact O-N 3.49Å
23N52.7Low58.2Low105 Ų10594.7 Ų94.756%0.56156%0.563SS**  trans-82.9100.8-180-73.9-4.3000111.3S102N23-S102 PolarHBondContact ND2-O 2.96Å; N23-S102 VanDerWaalsContact ND2-O 3.11Å
24D69.1Low60.9Low104 Ų10487.1 Ų87.156%0.55652%0.523SS*.  trans-88.83.8-179.4-94.9-1.9000114.5Q22 S101Q22-D24 PolarHBondContact O-N 3.49Å; D24-S101 PolarHBondContact N-OG 3.35Å
25I84.8Confident63.6Low7 Ų788.7 Ų88.74%0.03652%0.516CS..  trans-110.7139.4-179.2-160.4168000111.4S42 H44 Y50 L90 A92 S101 A103I25-S42 WeakPolarHBondContact CD1-O 3.49Å; I25-S42 VanDerWaalsContact CG1-O 3.31Å; I25-S42 WeakPolarHBondContact CG1-O 3.23Å; I25-H44 HydrophobicContact CD1-CB 4.11Å; I25-Y50 HydrophobicContact CD1-CD1 4.03Å; I25-Y50 HydrophobicContact CD1-CE1 3.61Å; I25-L90 HydrophobicContact CD1-CD2 3.49Å; I25-L90 VanDerWaalsContact CD1-CD2 3.49Å; I25-L90 HydrophobicContact CD1-CG 4.22Å; I25-L90 HydrophobicContact CG1-CD2 3.88Å; I25-A92 HydrophobicContact CD1-CB 4Å; I25-S101 WeakPolarHBondContact CG2-OG 3.46Å; I25-A103 HydrophobicContact CG2-CB 3.76Å; I25-A103 WeakPolarHBondContact O-CB 3.36Å
26T85.9Confident66.4Low96 Ų9680.1 Ų80.159%0.58948%0.482SS*.  trans-111.5142.5177.160.70000110.7W41 S42T26-W41 CarbonylContact O-C 3.59Å; T26-W41 WeakPolarHBondContact O-CA 3.09Å; T26-W41 WeakPolarHBondContact O-CB 3.25Å; T26-S42 PolarHBondContact N-OG 3.1Å; T26-S42 PolarHBondContact O-N 3.24Å; T26-S42 VanDerWaalsContact O-N 3.08Å; T26-S42 PolarHBondContact OG1-OG 2.59Å
27L89Confident69.2Low24 Ų2473.8 Ų73.813%0.12644%0.443CS..EExtended strand (participates in β ladder)trans-128.4129.9179.117766.6000109.2V39 W41 M88 L90 A103 T105L27-V39 HydrophobicContact CD1-CB 3.86Å; L27-V39 HydrophobicContact CD1-CG2 3.82Å; L27-W41 HydrophobicContact CD1-CB 4.31Å; L27-M88 HydrophobicContact CD2-CB 4.26Å; L27-M88 VanDerWaalsContact CD2-O 3.27Å; L27-M88 WeakPolarHBondContact CD2-O 3.27Å; L27-L90 HydrophobicContact CB-CD2 4.4Å; L27-L90 HydrophobicContact CD1-CB 4.24Å; L27-L90 HydrophobicContact CD1-CD2 4.27Å; L27-L90 HydrophobicContact CD2-CB 3.93Å; L27-L90 HydrophobicContact CG-CB 4.48Å; L27-A103 HydrophobicContact CB-CB 3.88Å; L27-T105 HydrophobicContact CD2-CG2 3.9Å; L27-T105 HydrophobicContact CG-CG2 4.08Å
28S87.8Confident71.8Confident63 Ų6371.7 Ų71.744%0.44142%0.415SS..EExtended strand (participates in β ladder)trans-134.2160.917363.90000110.7V39 Q40S28-V39 CarbonylContact O-C 3.54Å; S28-V39 WeakPolarHBondContact O-CA 3.33Å; S28-V39 WeakPolarHBondContact O-CB 3.23Å; S28-Q40 PolarHBondContact N-O 2.59Å; S28-Q40 PolarHBondContact O-N 2.77Å; S28-Q40 VanDerWaalsContact O-O 3.13Å; S28-Q40 PolarHBondContact OG-O 2.79Å
29V85.1Confident74.4Confident37 Ų3764.5 Ų64.522%0.22437%0.371CS..EExtended strand (participates in β ladder)trans-103.1133.6178.5-176.80000109.7V32 V39 T105 E107V29-V32 HydrophobicContact CG1-CG2 3.56Å; V29-V39 HydrophobicContact CB-CG1 4.39Å; V29-V39 HydrophobicContact CG1-CG1 4.33Å; V29-V39 HydrophobicContact CG2-CG1 3.77Å; V29-T105 HydrophobicContact CG2-CG2 3.8Å; V29-E107 HydrophobicContact CB-CG 4.04Å; V29-E107 HydrophobicContact CG1-CG 4.39Å; V29-E107 HydrophobicContact CG2-CB 4.49Å; V29-E107 HydrophobicContact CG2-CG 3.45Å; V29-E107 VanDerWaalsContact CG2-CG 3.45Å
30F85.5Confident77.3Confident126 Ų12662.9 Ų62.955%0.55335%0.353SS*.EExtended strand (participates in β ladder)trans-100.8-50-174.5-177.7-102.9000111.5T38 M74F30-T38 HydrophobicContact CD1-CG2 4.42Å; F30-T38 PolarHBondContact N-O 3.02Å; F30-M74 HydrophobicContact CB-CE 4.23Å; F30-M74 HydrophobicContact CD1-CE 4.1Å; F30-M74 HydrophobicContact CD1-SD 4.26Å; F30-M74 HydrophobicContact CD2-CE 3.83Å; F30-M74 HydrophobicContact CE1-CE 4.47Å; F30-M74 HydrophobicContact CE2-CE 4.22Å; F30-M74 HydrophobicContact CG-CE 3.78Å; F30-M74 HydrophobicContact CG-SD 4.45Å
31T84.3Confident80.1Confident67 Ų6756.9 Ų56.941%0.41132%0.315SS..EExtended strand (participates in β ladder)trans-142.5146173.653.40000111.4T38T31-T38 PolarHBondContact N-O 2.05Å; T31-T38 PolarHBondContact O-N 2.81Å; T31-T38 VanDerWaalsContact OG1-CB 3.3Å; T31-T38 WeakPolarHBondContact OG1-CB 3.24Å; T31-T38 PolarHBondContact OG1-OG1 3.46Å
32V85.4Confident82.7Confident24 Ų2454.2 Ų54.215%0.14529%0.29CS..EExtended strand (participates in β ladder)trans-125.3134.6178.3-1800000108.4V29 M37 T108 G183V29-V32 HydrophobicContact CG1-CG2 3.56Å; V32-M37 HydrophobicContact CG1-CE 3.93Å; V32-M37 HydrophobicContact CG1-CG 4.16Å; V32-M37 HydrophobicContact CG2-CE 4.37Å; V32-M37 HydrophobicContact CG2-CG 4.2Å; V32-T108 WeakPolarHBondContact CG1-O 3.29Å; V32-G183 VanDerWaalsContact CB-O 3.27Å; V32-G183 WeakPolarHBondContact CB-O 3.21Å
33T87.1Confident84.7Confident36 Ų3648.8 Ų48.822%0.22128%0.279CS..  trans-120.3-171.6168.976.70000109.6K35 S36 A110T33-K35 VanDerWaalsContact C-N 3.31Å; T33-K35 PolarHBondContact OG1-N 3.27Å; T33-S36 PolarHBondContact N-O 2.82Å; T33-S36 PolarHBondContact OG1-N 2.84Å; T33-S36 PolarHBondContact OG1-O 3.32Å; T33-S36 PolarHBondContact OG1-OG 2.79Å; T33-A110 PolarHBondContact O-N 3.38Å
34S87.1Confident86.3Confident0 Ų045.6 Ų45.60%026%0.261CS..SBendtrans-73.2-22.3173.458.50000113.4S81 P82 P111S34-S81 CarbonylContact O-C 3.47Å; S34-P82 VanDerWaalsContact O-CA 3.28Å; S34-P82 WeakPolarHBondContact O-CA 3.08Å; S34-P111 WeakPolarHBondContact CB-O 3.49Å
35K87.9Confident86.8Confident105 Ų10545.8 Ų45.846%0.45727%0.271SS..SBendtrans-130.42.4-173.7-62.7-172.9179.9179.50115.1T33 N78 S79 L80T33-K35 VanDerWaalsContact C-N 3.31Å; T33-K35 PolarHBondContact OG1-N 3.27Å; K35-N78 CarbonylContact O-C 3.56Å; K35-S79 PolarHBondContact O-N 2.72Å; K35-L80 WeakPolarHBondContact CA-O 3.42Å; K35-L80 PolarHBondContact O-N 2.94Å
36S89.2Confident86.6Confident22 Ų2248.6 Ų48.615%0.15430%0.301CS..EExtended strand (participates in β ladder)trans-151.4155.7176.664.60000113.2T33 V77 N78T33-S36 PolarHBondContact N-O 2.82Å; T33-S36 PolarHBondContact OG1-N 2.84Å; T33-S36 PolarHBondContact OG1-O 3.32Å; T33-S36 PolarHBondContact OG1-OG 2.79Å; S36-V77 CarbonylContact C-O 3.53Å; S36-V77 WeakPolarHBondContact CA-O 3.34Å; S36-V77 WeakPolarHBondContact CB-O 3.01Å; S36-N78 WeakPolarHBondContact CB-OD1 3.44Å
37M88.5Confident86.5Confident0 Ų044.7 Ų44.70%028%0.279CS..EExtended strand (participates in β ladder)trans-129.4121.1168.3-73.7177.7169.700109V32 V39 S76 V77 L80 M88 E107 T108 T109V32-M37 HydrophobicContact CG1-CE 3.93Å; V32-M37 HydrophobicContact CG1-CG 4.16Å; V32-M37 HydrophobicContact CG2-CE 4.37Å; V32-M37 HydrophobicContact CG2-CG 4.2Å; M37-V39 HydrophobicContact CB-CG1 4.4Å; M37-S76 WeakPolarHBondContact O-CA 3.45Å; M37-V77 PolarHBondContact N-O 2.02Å; M37-V77 PolarHBondContact O-N 3.08Å; M37-L80 HydrophobicContact CB-CD1 3.91Å; M37-L80 HydrophobicContact CG-CD1 3.64Å; M37-L80 HydrophobicContact SD-CD1 4.01Å; M37-M88 HydrophobicContact CB-CE 4.14Å; M37-M88 HydrophobicContact SD-CE 4.37Å; M37-M88 HydrophobicContact SD-CG 4.14Å; M37-M88 HydrophobicContact SD-SD 3.89Å; M37-E107 HydrophobicContact CE-CB 3.57Å; M37-E107 HydrophobicContact SD-CB 4.08Å; M37-T108 WeakPolarHBondContact CE-O 3.05Å; M37-T109 HydrophobicContact CE-CG2 3.81Å
38T89.3Confident86.4Confident28 Ų2845.8 Ų45.817%0.17229%0.288CS..EExtended strand (participates in β ladder)trans-88.5120.2167.6-49.80000108.3F30 T31 M74 G75F30-T38 HydrophobicContact CD1-CG2 4.42Å; F30-T38 PolarHBondContact N-O 3.02Å; T31-T38 PolarHBondContact N-O 2.05Å; T31-T38 PolarHBondContact O-N 2.81Å; T31-T38 VanDerWaalsContact OG1-CB 3.3Å; T31-T38 WeakPolarHBondContact OG1-CB 3.24Å; T31-T38 PolarHBondContact OG1-OG1 3.46Å; T38-M74 HydrophobicContact CG2-CG 3.81Å; T38-M74 HydrophobicContact CG2-SD 4.08Å; T38-G75 WeakPolarHBondContact CA-O 3.2Å
39V88.8Confident86.4Confident0 Ų043.4 Ų43.40%027%0.272CS..EExtended strand (participates in β ladder)trans-117.3152.4-179.9-54.20000110.2L27 S28 V29 M37 W41 I52 M74 G75 M88L27-V39 HydrophobicContact CD1-CB 3.86Å; L27-V39 HydrophobicContact CD1-CG2 3.82Å; S28-V39 CarbonylContact O-C 3.54Å; S28-V39 WeakPolarHBondContact O-CA 3.33Å; S28-V39 WeakPolarHBondContact O-CB 3.23Å; V29-V39 HydrophobicContact CB-CG1 4.39Å; V29-V39 HydrophobicContact CG1-CG1 4.33Å; V29-V39 HydrophobicContact CG2-CG1 3.77Å; M37-V39 HydrophobicContact CB-CG1 4.4Å; V39-W41 HydrophobicContact CG2-CE3 4.09Å; V39-W41 HydrophobicContact CG2-CZ3 3.95Å; V39-W41 WeakPolarHBondContact O-CZ3 3.44Å; V39-I52 HydrophobicContact CG2-CD1 3.34Å; V39-I52 HydrophobicContact CG2-CG1 4.36Å; V39-I52 HydrophobicContact CG2-CG2 4.39Å; V39-M74 VanDerWaalsContact O-CA 3.31Å; V39-M74 WeakPolarHBondContact O-CA 3.39Å; V39-M74 WeakPolarHBondContact O-CG 3.4Å; V39-G75 PolarHBondContact N-O 2.78Å; V39-G75 PolarHBondContact O-N 2.76Å; V39-M88 HydrophobicContact CG1-CE 4.02Å
40Q91Very high86.7Confident78 Ų7841.8 Ų41.836%0.36426%0.261SS..EExtended strand (participates in β ladder)trans-125.7143.5-177.8-174.8177.4-5.500109.1S28 V73 M74S28-Q40 PolarHBondContact N-O 2.59Å; S28-Q40 PolarHBondContact O-N 2.77Å; S28-Q40 VanDerWaalsContact O-O 3.13Å; S28-Q40 PolarHBondContact OG-O 2.79Å; Q40-V73 WeakPolarHBondContact CA-O 3.01Å; Q40-V73 WeakPolarHBondContact CG-O 3.47Å; Q40-M74 HydrophobicContact CB-CE 3.98Å; Q40-M74 HydrophobicContact CB-CG 4.37Å; Q40-M74 HydrophobicContact CG-CB 4.43Å; Q40-M74 HydrophobicContact CG-CE 3.94Å; Q40-M74 VanDerWaalsContact OE1-CE 3.3Å
41W90.3Very high86.9Confident11 Ų1138.2 Ų38.24%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-144163.1-176.659.195.7000113.4T26 L27 V39 Y50 I52 F68 T72 V73 M74 L90T26-W41 CarbonylContact O-C 3.59Å; T26-W41 WeakPolarHBondContact O-CA 3.09Å; T26-W41 WeakPolarHBondContact O-CB 3.25Å; L27-W41 HydrophobicContact CD1-CB 4.31Å; V39-W41 HydrophobicContact CG2-CE3 4.09Å; V39-W41 HydrophobicContact CG2-CZ3 3.95Å; V39-W41 WeakPolarHBondContact O-CZ3 3.44Å; W41-Y50 AromaticContact CE2-CD2 3.99Å; W41-Y50 AromaticContact CE2-CG 3.99Å; W41-Y50 HydrophobicContact CZ2-CD2 4.11Å; W41-Y50 HydrophobicContact CZ2-CG 4.23Å; W41-Y50 AromaticContact NE1-CD1 3.67Å; W41-Y50 AromaticContact NE1-CD2 3.29Å; W41-Y50 VanDerWaalsContact NE1-CD2 3.29Å; W41-Y50 AromaticContact NE1-CE1 3.94Å; W41-Y50 AromaticContact NE1-CE2 3.56Å; W41-Y50 AromaticContact NE1-CG 3.36Å; W41-Y50 AromaticContact NE1-CZ 3.91Å; W41-I52 HydrophobicContact CE3-CD1 3.84Å; W41-I52 HydrophobicContact CH2-CD1 3.62Å; W41-I52 HydrophobicContact CZ2-CD1 4.45Å; W41-I52 HydrophobicContact CZ3-CD1 3.26Å; W41-F68 HydrophobicContact CH2-CB 4.4Å; W41-F68 AromaticContact CH2-CD2 3.76Å; W41-F68 HydrophobicContact CH2-CD2 3.76Å; W41-F68 HydrophobicContact CH2-CE2 4.21Å; W41-F68 HydrophobicContact CH2-CG 4.03Å; W41-F68 HydrophobicContact CZ2-CB 4.25Å; W41-F68 HydrophobicContact CZ2-CD2 4.26Å; W41-F68 HydrophobicContact CZ2-CG 4.36Å; W41-T72 VanDerWaalsContact CE2-O 3.3Å; W41-T72 HydrophobicContact CH2-CG2 4.31Å; W41-T72 HydrophobicContact CZ2-CG2 4.19Å; W41-T72 VanDerWaalsContact CZ2-O 3.23Å; W41-T72 WeakPolarHBondContact CZ2-O 3.19Å; W41-T72 PolarHBondContact NE1-O 3.43Å; W41-V73 PolarHBondContact N-O 3.41Å; W41-V73 WeakPolarHBondContact O-CB 3.45Å; W41-M74 VanDerWaalsContact CH2-C 3.47Å; W41-M74 VanDerWaalsContact CZ3-C 3.48Å; W41-L90 HydrophobicContact CB-CD2 3.4Å; W41-L90 VanDerWaalsContact CB-CD2 3.4Å; W41-L90 HydrophobicContact CD2-CD1 4.12Å; W41-L90 HydrophobicContact CD2-CD2 4.27Å; W41-L90 HydrophobicContact CG-CD1 4.23Å; W41-L90 HydrophobicContact CG-CD2 3.58Å
42S87.9Confident87.3Confident38 Ų3835 Ų3527%0.26623%0.226SC..  trans-77.8143.8169.9610000111.4I25 T26I25-S42 WeakPolarHBondContact CD1-O 3.49Å; I25-S42 VanDerWaalsContact CG1-O 3.31Å; I25-S42 WeakPolarHBondContact CG1-O 3.23Å; T26-S42 PolarHBondContact N-OG 3.1Å; T26-S42 PolarHBondContact O-N 3.24Å; T26-S42 VanDerWaalsContact O-N 3.08Å; T26-S42 PolarHBondContact OG1-OG 2.59Å
43G83.1Confident87.5Confident53 Ų5334.6 Ų34.655%0.54622%0.224SC..  trans-71.4138.2172.200000111.6
44H84.9Confident87.6Confident38 Ų3832.9 Ų32.918%0.17621%0.213CC..  trans-112.3131.6178.4-17370.7000111.4I25 G46 A47 Y50 A92I25-H44 HydrophobicContact CD1-CB 4.11Å; H44-G46 PolarHBondContact O-N 3.47Å; H44-A47 PolarHBondContact O-N 3Å; H44-Y50 HydrophobicContact CB-CE1 4.44Å; H44-Y50 PolarHBondContact N-OH 2.78Å; H44-A92 HydrophobicContact CB-CB 4.27Å
45S80.6Confident87.7Confident109 Ų10935.3 Ų35.376%0.76223%0.228SC*.THydrogen-bonded Turntrans-69.3123.6-176.252.80000112
46G80.2Confident87.7Confident65 Ų6531.1 Ų31.167%0.6721%0.211SC*.THydrogen-bonded Turntrans98.3-10.2-178.600000114.5H44 L100H44-G46 PolarHBondContact O-N 3.47Å; G46-L100 WeakPolarHBondContact O-CD1 3.47Å
47A84.3Confident87.5Confident15 Ų1536.2 Ų36.212%0.12423%0.231CC..  trans-73.6126.2173.300000111.2H44 Y50 A92 M93 L100H44-A47 PolarHBondContact O-N 3Å; A47-Y50 HydrophobicContact CB-CE1 3.95Å; A47-A92 HydrophobicContact CB-CB 4.01Å; A47-M93 CarbonylContact C-O 3.55Å; A47-M93 WeakPolarHBondContact CA-O 3.49Å; A47-L100 HydrophobicContact CB-CD1 4.33Å
48S85.6Confident87.1Confident46 Ų4640.7 Ų40.732%0.32226%0.255SS..SBendtrans-96.9-19.9173.465.40000113G70 M93 D94 N95S48-G70 WeakPolarHBondContact O-CA 3.38Å; S48-G70 PolarHBondContact O-N 2.8Å; S48-M93 PolarHBondContact N-O 2.67Å; S48-M93 PolarHBondContact OG-O 3.13Å; S48-D94 PolarHBondContact OG-O 3.1Å; S48-N95 WeakPolarHBondContact CB-OD1 3.24Å; S48-N95 PolarHBondContact OG-N 2.83Å; S48-N95 PolarHBondContact OG-OD1 2.83Å
49S89.1Confident86.3Confident14 Ų1440.7 Ų40.710%0.09826%0.256CS..EExtended strand (participates in β ladder)trans-146.9160.3169.567.70000112Q67 F68 M93S49-Q67 PolarHBondContact OG-NE2 2.79Å; S49-F68 CarbonylContact C-O 3.6Å; S49-F68 VanDerWaalsContact CA-O 3.26Å; S49-F68 WeakPolarHBondContact CA-O 3.46Å; S49-F68 VanDerWaalsContact CB-O 3.3Å; S49-F68 WeakPolarHBondContact CB-O 3.37Å; S49-M93 PolarHBondContact N-O 3.18Å; S49-M93 PolarHBondContact O-N 2.72Å
50Y90.6Very high85.7Confident2 Ų247.2 Ų47.21%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-117.7133.1168.7-61.8-77.1000109.2I25 W41 H44 A47 Q67 F68 G70 T72 L90 E91 A92I25-Y50 HydrophobicContact CD1-CD1 4.03Å; I25-Y50 HydrophobicContact CD1-CE1 3.61Å; W41-Y50 AromaticContact CE2-CD2 3.99Å; W41-Y50 AromaticContact CE2-CG 3.99Å; W41-Y50 HydrophobicContact CZ2-CD2 4.11Å; W41-Y50 HydrophobicContact CZ2-CG 4.23Å; W41-Y50 AromaticContact NE1-CD1 3.67Å; W41-Y50 AromaticContact NE1-CD2 3.29Å; W41-Y50 VanDerWaalsContact NE1-CD2 3.29Å; W41-Y50 AromaticContact NE1-CE1 3.94Å; W41-Y50 AromaticContact NE1-CE2 3.56Å; W41-Y50 AromaticContact NE1-CG 3.36Å; W41-Y50 AromaticContact NE1-CZ 3.91Å; H44-Y50 HydrophobicContact CB-CE1 4.44Å; H44-Y50 PolarHBondContact N-OH 2.78Å; A47-Y50 HydrophobicContact CB-CE1 3.95Å; Y50-Q67 CarbonylContact O-C 3.6Å; Y50-Q67 VanDerWaalsContact O-CA 3.32Å; Y50-Q67 WeakPolarHBondContact O-CA 3.48Å; Y50-Q67 WeakPolarHBondContact O-CG 3.39Å; Y50-F68 PolarHBondContact N-O 3.01Å; Y50-F68 PolarHBondContact O-N 2.78Å; Y50-G70 WeakPolarHBondContact CE2-O 3.36Å; Y50-T72 WeakPolarHBondContact CD2-O 3.31Å; Y50-T72 WeakPolarHBondContact CE2-O 3.36Å; Y50-L90 HydrophobicContact CD1-CD1 4.14Å; Y50-L90 HydrophobicContact CG-CD1 4.33Å; Y50-E91 WeakPolarHBondContact CA-O 3.09Å; Y50-A92 HydrophobicContact CD1-CB 3.86Å; Y50-A92 HydrophobicContact CE1-CB 3.68Å
51K90.3Very high85.3Confident52 Ų5247.9 Ų47.923%0.22630%0.301CS..EExtended strand (participates in β ladder)trans-111.6127.2171179.8-173.1156.6-129.20108.4T53 F65 Q67 E91 M93K51-T53 VanDerWaalsContact CE-OG1 3.28Å; K51-T53 WeakPolarHBondContact CE-OG1 3.4Å; K51-T53 PolarHBondContact NZ-OG1 2.85Å; K51-F65 HydrophobicContact CG-CB 4.48Å; K51-F65 HydrophobicContact CG-CD2 4.43Å; K51-Q67 HydrophobicContact CB-CG 4.46Å; K51-E91 PolarHBondContact N-O 3.14Å; K51-E91 IonicContact NZ-OE2 2.78Å; K51-E91 PolarHBondContact NZ-OE2 2.86Å; K51-E91 PolarHBondContact O-N 3.12Å; K51-M93 HydrophobicContact CB-CE 3.89Å; K51-M93 HydrophobicContact CB-SD 3.98Å; K51-M93 HydrophobicContact CD-CE 3.66Å; K51-M93 HydrophobicContact CD-SD 4.4Å; K51-M93 HydrophobicContact CG-CE 4.44Å
52I91.4Very high85Confident0 Ų057.9 Ų57.90%034%0.339CS..EExtended strand (participates in β ladder)trans-108123.5171.9-62.1162.7000107.6V39 W41 F65 A66 F68 V77 M88 Q89 L90V39-I52 HydrophobicContact CG2-CD1 3.34Å; V39-I52 HydrophobicContact CG2-CG1 4.36Å; V39-I52 HydrophobicContact CG2-CG2 4.39Å; W41-I52 HydrophobicContact CE3-CD1 3.84Å; W41-I52 HydrophobicContact CH2-CD1 3.62Å; W41-I52 HydrophobicContact CZ2-CD1 4.45Å; W41-I52 HydrophobicContact CZ3-CD1 3.26Å; I52-F65 CarbonylContact O-C 3.52Å; I52-F65 WeakPolarHBondContact O-CA 3.3Å; I52-F65 WeakPolarHBondContact O-CB 3.49Å; I52-A66 PolarHBondContact N-O 2.88Å; I52-A66 PolarHBondContact O-N 2.77Å; I52-F68 HydrophobicContact CD1-CD2 4.08Å; I52-F68 HydrophobicContact CD1-CE2 3.73Å; I52-F68 HydrophobicContact CG1-CE2 4.41Å; I52-V77 HydrophobicContact CB-CG2 3.99Å; I52-V77 HydrophobicContact CG2-CG2 3.56Å; I52-M88 HydrophobicContact CG2-CE 3.91Å; I52-Q89 CarbonylContact C-O 3.54Å; I52-Q89 WeakPolarHBondContact CA-O 3.42Å; I52-L90 HydrophobicContact CD1-CD1 4.16Å; I52-L90 HydrophobicContact CG1-CB 4.46Å; I52-L90 HydrophobicContact CG1-CD1 3.5Å
53T89.9Confident84.9Confident15 Ų1559.4 Ų59.49%0.09235%0.348CS..EExtended strand (participates in β ladder)trans-111.2118.1175.7-50.10000109K51 P63 V64 F65 Q89K51-T53 VanDerWaalsContact CE-OG1 3.28Å; K51-T53 WeakPolarHBondContact CE-OG1 3.4Å; K51-T53 PolarHBondContact NZ-OG1 2.85Å; T53-P63 HydrophobicContact CG2-CB 3.77Å; T53-V64 CarbonylContact C-O 3.55Å; T53-F65 HydrophobicContact CG2-CB 4.46Å; T53-Q89 PolarHBondContact N-O 3.05Å; T53-Q89 PolarHBondContact O-N 3.17Å
54A89.4Confident85.2Confident0 Ų058.9 Ų58.90%034%0.335CS..EExtended strand (participates in β ladder)trans-94.5104173.400000109.4P63 V64 V77 L80 Y86 M88A54-P63 VanDerWaalsContact O-CA 3.27Å; A54-P63 WeakPolarHBondContact O-CA 3.19Å; A54-V64 PolarHBondContact N-O 2.86Å; A54-V64 PolarHBondContact O-N 2.91Å; A54-V77 HydrophobicContact CB-CG1 3.97Å; A54-L80 HydrophobicContact CB-CD2 3.63Å; A54-Y86 HydrophobicContact CB-CD1 3.85Å; A54-Y86 HydrophobicContact CB-CE1 4.44Å; A54-Y86 HydrophobicContact CB-CG 4.43Å; A54-M88 HydrophobicContact CB-CE 3.96Å; A54-M88 HydrophobicContact CB-SD 3.41Å; A54-M88 WeakPolarHBondContact CB-SD 3.27Å
55T89.1Confident85.5Confident51 Ų5163.4 Ų63.431%0.31335%0.354SS..EExtended strand (participates in β ladder)trans-100117.4179.7-62.10000110.4P63 Y86 T87T55-P63 HydrophobicContact CG2-CG 4.2Å; T55-Y86 WeakPolarHBondContact O-CA 3.4Å; T55-T87 PolarHBondContact N-O 2.84Å; T55-T87 PolarHBondContact O-N 3.09Å
56P89.1Confident85.9Confident16 Ų1659.3 Ų59.310%0.10433%0.326CS..EExtended strand (participates in β ladder)trans-68.7137.6178.327.2-31.6000111E61 T84 Y86P56-E61 HydrophobicContact CG-CB 4.15Å; P56-E61 WeakPolarHBondContact CG-O 3.39Å; P56-T84 HydrophobicContact CB-CG2 3.84Å; P56-Y86 HydrophobicContact CB-CD1 4.08Å; P56-Y86 HydrophobicContact CB-CE1 3.66Å; P56-Y86 HydrophobicContact CG-CE1 4.12Å
57K84.9Confident86.4Confident129 Ų12961 Ų6156%0.56132%0.317SS*.SBendtrans-98.7-29.9177.9-90.2179.4162.9141.60113.8V85 T87 V106K57-V85 HydrophobicContact CB-CB 4.37Å; K57-V85 HydrophobicContact CB-CG1 4.34Å; K57-V85 HydrophobicContact CD-CG1 4.45Å; K57-V85 PolarHBondContact N-O 2.96Å; K57-T87 VanDerWaalsContact CD-OG1 3.23Å; K57-T87 WeakPolarHBondContact CD-OG1 3.34Å; K57-T87 WeakPolarHBondContact CE-OG1 3.23Å; K57-T87 PolarHBondContact NZ-OG1 2.68Å; K57-V106 HydrophobicContact CD-CG1 4.49Å
58N78.5Confident86.6Confident94 Ų9462.4 Ų62.450%0.50332%0.32SS..SBendtrans-117.113.5-176.467-31.2000113.5N83 T84 V85N58-N83 PolarHBondContact ND2-O 3.33Å; N58-T84 WeakPolarHBondContact OD1-CA 3.18Å; N58-T84 WeakPolarHBondContact OD1-CG2 3.05Å; N58-V85 PolarHBondContact OD1-N 2.9Å
59S73.9Confident86.7Confident29 Ų2963.2 Ų63.220%0.20333%0.326CS..SBendtrans-135.2142.4176.4171.80000109.4E61S59-E61 PolarHBondContact O-N 2.79Å; S59-E61 WeakPolarHBondContact OG-CG 3.39Å; S59-E61 PolarHBondContact OG-N 3.3Å; S59-E61 PolarHBondContact OG-OE2 2.84Å
60P75.9Confident86.4Confident137 Ų13763.5 Ų63.589%0.8933%0.331SS*.  trans-78.311.2178.634.9-37.6000113.8
61E81.4Confident86Confident91 Ų9170.9 Ų70.943%0.42537%0.371SS..PPolyproline II helixtrans-68.7161.4-179.7-75.5170.8166.800113.3P56 S59 S81P56-E61 HydrophobicContact CG-CB 4.15Å; P56-E61 WeakPolarHBondContact CG-O 3.39Å; S59-E61 PolarHBondContact O-N 2.79Å; S59-E61 WeakPolarHBondContact OG-CG 3.39Å; S59-E61 PolarHBondContact OG-N 3.3Å; S59-E61 PolarHBondContact OG-OE2 2.84Å; E61-S81 PolarHBondContact OE1-OG 2.66Å; E61-S81 WeakPolarHBondContact OE2-CB 3.12Å; E61-S81 PolarHBondContact OE2-OG 3.36Å
62R84Confident85.9Confident221 Ų22170.2 Ų70.283%0.83437%0.371SS*.PPolyproline II helixtrans-76.1146.5179.1-64.5-174.7179.1-166-0.5110.6V64R62-V64 PolarHBondContact O-N 2.94Å
63P87Confident85.8Confident70 Ų7073.5 Ų73.546%0.45539%0.391SS..PPolyproline II helixtrans-57.2132.3170.8-22.332.6000111.1T53 A54 T55T53-P63 HydrophobicContact CG2-CB 3.77Å; A54-P63 VanDerWaalsContact O-CA 3.27Å; A54-P63 WeakPolarHBondContact O-CA 3.19Å; T55-P63 HydrophobicContact CG2-CG 4.2Å
64V89.7Confident85.7Confident43 Ų4376.1 Ų76.126%0.26140%0.403SS..EExtended strand (participates in β ladder)trans-97.3140.2174.1-174.90000108T53 A54 R62 V77 N78 L80T53-V64 CarbonylContact C-O 3.55Å; A54-V64 PolarHBondContact N-O 2.86Å; A54-V64 PolarHBondContact O-N 2.91Å; R62-V64 PolarHBondContact O-N 2.94Å; V64-V77 HydrophobicContact CB-CG1 4.36Å; V64-V77 HydrophobicContact CG1-CG1 4.07Å; V64-N78 WeakPolarHBondContact CG1-O 3.41Å; V64-L80 HydrophobicContact CB-CD2 4.42Å
65F90.2Very high85.7Confident133 Ų13376.5 Ų76.558%0.58341%0.407SS*.EExtended strand (participates in β ladder)trans-131.5152.4176.769.6-87.1000112.6K51 I52 T53K51-F65 HydrophobicContact CG-CB 4.48Å; K51-F65 HydrophobicContact CG-CD2 4.43Å; I52-F65 CarbonylContact O-C 3.52Å; I52-F65 WeakPolarHBondContact O-CA 3.3Å; I52-F65 WeakPolarHBondContact O-CB 3.49Å; T53-F65 HydrophobicContact CG2-CB 4.46Å
66A89.6Confident85.7Confident22 Ų2275.7 Ų75.718%0.18240%0.403CS..EExtended strand (participates in β ladder)trans-130.9142.9170.500000109.1I52 F68 V77I52-A66 PolarHBondContact N-O 2.88Å; I52-A66 PolarHBondContact O-N 2.77Å; A66-F68 HydrophobicContact CB-CE2 3.59Å; A66-F68 HydrophobicContact CB-CZ 3.61Å; A66-V77 HydrophobicContact CB-CG2 4.3Å
67Q89.6Confident85.7Confident101 Ų10175 Ų7547%0.47240%0.398SS..EExtended strand (participates in β ladder)trans-119.3136.6179.1-165.1172.910.500110.1S49 Y50 K51S49-Q67 PolarHBondContact OG-NE2 2.79Å; Y50-Q67 CarbonylContact O-C 3.6Å; Y50-Q67 VanDerWaalsContact O-CA 3.32Å; Y50-Q67 WeakPolarHBondContact O-CA 3.48Å; Y50-Q67 WeakPolarHBondContact O-CG 3.39Å; K51-Q67 HydrophobicContact CB-CG 4.46Å
68F90.3Very high85.9Confident44 Ų4473.2 Ų73.219%0.19340%0.395CS..EExtended strand (participates in β ladder)trans-128.3157.1-173.5-55.7-83.5000110.2W41 S49 Y50 I52 A66 T72W41-F68 HydrophobicContact CH2-CB 4.4Å; W41-F68 AromaticContact CH2-CD2 3.76Å; W41-F68 HydrophobicContact CH2-CD2 3.76Å; W41-F68 HydrophobicContact CH2-CE2 4.21Å; W41-F68 HydrophobicContact CH2-CG 4.03Å; W41-F68 HydrophobicContact CZ2-CB 4.25Å; W41-F68 HydrophobicContact CZ2-CD2 4.26Å; W41-F68 HydrophobicContact CZ2-CG 4.36Å; S49-F68 CarbonylContact C-O 3.6Å; S49-F68 VanDerWaalsContact CA-O 3.26Å; S49-F68 WeakPolarHBondContact CA-O 3.46Å; S49-F68 VanDerWaalsContact CB-O 3.3Å; S49-F68 WeakPolarHBondContact CB-O 3.37Å; Y50-F68 PolarHBondContact N-O 3.01Å; Y50-F68 PolarHBondContact O-N 2.78Å; I52-F68 HydrophobicContact CD1-CD2 4.08Å; I52-F68 HydrophobicContact CD1-CE2 3.73Å; I52-F68 HydrophobicContact CG1-CE2 4.41Å; A66-F68 HydrophobicContact CB-CE2 3.59Å; A66-F68 HydrophobicContact CB-CZ 3.61Å; F68-T72 HydrophobicContact CB-CG2 3.92Å; F68-T72 HydrophobicContact CD1-CG2 4.16Å; F68-T72 HydrophobicContact CG-CG2 4.27Å
69S86.9Confident86.3Confident64 Ų6473.5 Ų73.545%0.44841%0.405SS..EExtended strand (participates in β ladder)trans-69.2156.5178.576.80000111.8N71 T72S69-N71 PolarHBondContact O-N 3.36Å; S69-T72 VanDerWaalsContact O-CB 3.28Å; S69-T72 WeakPolarHBondContact O-CB 3.16Å; S69-T72 PolarHBondContact O-N 2.79Å; S69-T72 PolarHBondContact O-OG1 2.82Å; S69-T72 PolarHBondContact OG-OG1 2.89Å
70G82Confident87Confident19 Ų1972.4 Ų72.420%0.19640%0.396CS..THydrogen-bonded Turntrans-59.7-15.5177.200000115.3S48 Y50S48-G70 WeakPolarHBondContact O-CA 3.38Å; S48-G70 PolarHBondContact O-N 2.8Å; Y50-G70 WeakPolarHBondContact CE2-O 3.36Å
71N83.4Confident87.6Confident158 Ų15867 Ų6785%0.84536%0.362SS*.THydrogen-bonded Turntrans-88.9-5.7174.5-65.8-14.2000113.3S69S69-N71 PolarHBondContact O-N 3.36Å
72T87.3Confident88Confident37 Ų3764.3 Ų64.323%0.22735%0.352CS..  trans-92.5128.1-177-52.40000110.1W41 Y50 F68 S69 M74W41-T72 VanDerWaalsContact CE2-O 3.3Å; W41-T72 HydrophobicContact CH2-CG2 4.31Å; W41-T72 HydrophobicContact CZ2-CG2 4.19Å; W41-T72 VanDerWaalsContact CZ2-O 3.23Å; W41-T72 WeakPolarHBondContact CZ2-O 3.19Å; W41-T72 PolarHBondContact NE1-O 3.43Å; Y50-T72 WeakPolarHBondContact CD2-O 3.31Å; Y50-T72 WeakPolarHBondContact CE2-O 3.36Å; F68-T72 HydrophobicContact CB-CG2 3.92Å; F68-T72 HydrophobicContact CD1-CG2 4.16Å; F68-T72 HydrophobicContact CG-CG2 4.27Å; S69-T72 VanDerWaalsContact O-CB 3.28Å; S69-T72 WeakPolarHBondContact O-CB 3.16Å; S69-T72 PolarHBondContact O-N 2.79Å; S69-T72 PolarHBondContact O-OG1 2.82Å; S69-T72 PolarHBondContact OG-OG1 2.89Å; T72-M74 WeakPolarHBondContact CG2-O 3.34Å
73V88.8Confident88.1Confident69 Ų6956.2 Ų56.242%0.41833%0.326SS..  trans-118.45.5-179.4-66.40000113.5Q40 W41Q40-V73 WeakPolarHBondContact CA-O 3.01Å; Q40-V73 WeakPolarHBondContact CG-O 3.47Å; W41-V73 PolarHBondContact N-O 3.41Å; W41-V73 WeakPolarHBondContact O-CB 3.45Å
74M89.4Confident88.2Confident71 Ų7153.4 Ų53.435%0.3531%0.307SS..EExtended strand (participates in β ladder)trans-152.3140.6175.6-175.9-174.8-78.500109.2F30 T38 V39 Q40 W41 T72F30-M74 HydrophobicContact CB-CE 4.23Å; F30-M74 HydrophobicContact CD1-CE 4.1Å; F30-M74 HydrophobicContact CD1-SD 4.26Å; F30-M74 HydrophobicContact CD2-CE 3.83Å; F30-M74 HydrophobicContact CE1-CE 4.47Å; F30-M74 HydrophobicContact CE2-CE 4.22Å; F30-M74 HydrophobicContact CG-CE 3.78Å; F30-M74 HydrophobicContact CG-SD 4.45Å; T38-M74 HydrophobicContact CG2-CG 3.81Å; T38-M74 HydrophobicContact CG2-SD 4.08Å; V39-M74 VanDerWaalsContact O-CA 3.31Å; V39-M74 WeakPolarHBondContact O-CA 3.39Å; V39-M74 WeakPolarHBondContact O-CG 3.4Å; Q40-M74 HydrophobicContact CB-CE 3.98Å; Q40-M74 HydrophobicContact CB-CG 4.37Å; Q40-M74 HydrophobicContact CG-CB 4.43Å; Q40-M74 HydrophobicContact CG-CE 3.94Å; Q40-M74 VanDerWaalsContact OE1-CE 3.3Å; W41-M74 VanDerWaalsContact CH2-C 3.47Å; W41-M74 VanDerWaalsContact CZ3-C 3.48Å; T72-M74 WeakPolarHBondContact CG2-O 3.34Å
75G87.9Confident88.1Confident8 Ų853.2 Ų53.28%0.08231%0.306CS..EExtended strand (participates in β ladder)trans-164153.1-175.800000112.6T38 V39T38-G75 WeakPolarHBondContact CA-O 3.2Å; V39-G75 PolarHBondContact N-O 2.78Å; V39-G75 PolarHBondContact O-N 2.76Å
76S90.1Very high88.1Confident34 Ų3447 Ų4724%0.23828%0.278CS..EExtended strand (participates in β ladder)trans-104.1127.9179.1-1730000111.2M37 N78M37-S76 WeakPolarHBondContact O-CA 3.45Å; S76-N78 PolarHBondContact OG-OD1 2.62Å
77V89.7Confident88.1Confident0 Ų046.6 Ų46.60%027%0.274CS..EExtended strand (participates in β ladder)trans-90.7119.7162.9-172.10000107.3S36 M37 I52 A54 V64 A66 L80 M88S36-V77 CarbonylContact C-O 3.53Å; S36-V77 WeakPolarHBondContact CA-O 3.34Å; S36-V77 WeakPolarHBondContact CB-O 3.01Å; M37-V77 PolarHBondContact N-O 2.02Å; M37-V77 PolarHBondContact O-N 3.08Å; I52-V77 HydrophobicContact CB-CG2 3.99Å; I52-V77 HydrophobicContact CG2-CG2 3.56Å; A54-V77 HydrophobicContact CB-CG1 3.97Å; V64-V77 HydrophobicContact CB-CG1 4.36Å; V64-V77 HydrophobicContact CG1-CG1 4.07Å; A66-V77 HydrophobicContact CB-CG2 4.3Å; V77-L80 HydrophobicContact CG1-CD2 3.93Å; V77-M88 HydrophobicContact CB-CE 4.06Å; V77-M88 HydrophobicContact CG2-CE 3.73Å
78N88.6Confident88Confident92 Ų9241.8 Ų41.849%0.49225%0.251SS..EExtended strand (participates in β ladder)trans-105173.8-177.8-57.9-28.8000110.5K35 S36 V64 S76 L80K35-N78 CarbonylContact O-C 3.56Å; S36-N78 WeakPolarHBondContact CB-OD1 3.44Å; V64-N78 WeakPolarHBondContact CG1-O 3.41Å; S76-N78 PolarHBondContact OG-OD1 2.62Å; N78-L80 VanDerWaalsContact C-N 3.26Å; N78-L80 PolarHBondContact O-N 2.85Å
79S87.3Confident88Confident101 Ų10142.3 Ų42.371%0.70625%0.254SS*.SBendtrans60.833.3-178.9-54.30000113.8K35K35-S79 PolarHBondContact O-N 2.72Å
80L88.4Confident88.2Confident5 Ų539.2 Ų39.23%0.02623%0.233CC..PPolyproline II helixtrans-77.3159.4165.7-53.1-178.1000110K35 M37 A54 V64 V77 N78 Y86 T109K35-L80 WeakPolarHBondContact CA-O 3.42Å; K35-L80 PolarHBondContact O-N 2.94Å; M37-L80 HydrophobicContact CB-CD1 3.91Å; M37-L80 HydrophobicContact CG-CD1 3.64Å; M37-L80 HydrophobicContact SD-CD1 4.01Å; A54-L80 HydrophobicContact CB-CD2 3.63Å; V64-L80 HydrophobicContact CB-CD2 4.42Å; V77-L80 HydrophobicContact CG1-CD2 3.93Å; N78-L80 VanDerWaalsContact C-N 3.26Å; N78-L80 PolarHBondContact O-N 2.85Å; L80-Y86 HydrophobicContact CB-CE2 3.78Å; L80-Y86 HydrophobicContact CD1-CD2 4.35Å; L80-Y86 HydrophobicContact CD1-CE2 4.42Å; L80-Y86 HydrophobicContact CD2-CD1 4.23Å; L80-Y86 HydrophobicContact CD2-CE1 3.94Å; L80-Y86 HydrophobicContact CD2-CE2 4.22Å; L80-Y86 HydrophobicContact CG-CE2 4.36Å; L80-T109 HydrophobicContact CB-CG2 3.88Å; L80-T109 HydrophobicContact CD1-CG2 3.9Å
81S88.4Confident88.5Confident25 Ų2539.8 Ų39.818%0.17523%0.231CC..PPolyproline II helixtrans-93.5146.8174.9-75.20000111.7S34 E61 T84 Y86 T109S34-S81 CarbonylContact O-C 3.47Å; E61-S81 PolarHBondContact OE1-OG 2.66Å; E61-S81 WeakPolarHBondContact OE2-CB 3.12Å; E61-S81 PolarHBondContact OE2-OG 3.36Å; S81-T84 WeakPolarHBondContact O-CB 3.47Å; S81-T84 PolarHBondContact O-OG1 3.03Å; S81-Y86 PolarHBondContact N-OH 2.95Å; S81-T109 WeakPolarHBondContact O-CB 3.47Å; S81-T109 PolarHBondContact O-OG1 3.26Å
82P88.6Confident88.7Confident33 Ų3332.3 Ų32.321%0.21419%0.19CC..THydrogen-bonded Turntrans-65.5156.3-180-19.631.7000113.6S34 T84 A110 D112S34-P82 VanDerWaalsContact O-CA 3.28Å; S34-P82 WeakPolarHBondContact O-CA 3.08Å; P82-T84 PolarHBondContact O-N 2.82Å; P82-T84 PolarHBondContact O-OG1 2.86Å; P82-A110 WeakPolarHBondContact CA-O 3.47Å; P82-D112 HydrophobicContact CB-CB 3.77Å; P82-D112 HydrophobicContact CG-CB 3.78Å
83N87.8Confident88.8Confident52 Ų5231.1 Ų31.128%0.27818%0.183SC..THydrogen-bonded Turntrans47.331.6178.5-166.453.5000115N58 T109 A110 G136 N181N58-N83 PolarHBondContact ND2-O 3.33Å; N83-T109 PolarHBondContact N-OG1 2.94Å; N83-T109 VanDerWaalsContact N-OG1 3.12Å; N83-A110 PolarHBondContact N-O 3Å; N83-G136 WeakPolarHBondContact ND2-CA 3.45Å; N83-N181 PolarHBondContact OD1-ND2 2.8Å
84T87.9Confident88.6Confident11 Ų1129.7 Ų29.77%0.06717%0.173CC..  trans-112.9129.8-173-62.30000108.9P56 N58 S81 P82 Y86 T108 T109P56-T84 HydrophobicContact CB-CG2 3.84Å; N58-T84 WeakPolarHBondContact OD1-CA 3.18Å; N58-T84 WeakPolarHBondContact OD1-CG2 3.05Å; S81-T84 WeakPolarHBondContact O-CB 3.47Å; S81-T84 PolarHBondContact O-OG1 3.03Å; P82-T84 PolarHBondContact O-N 2.82Å; P82-T84 PolarHBondContact O-OG1 2.86Å; T84-Y86 HydrophobicContact CG2-CD2 4Å; T84-Y86 HydrophobicContact CG2-CE1 4.35Å; T84-Y86 HydrophobicContact CG2-CE2 3.44Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.44Å; T84-Y86 WeakPolarHBondContact O-CD2 3.35Å; T84-Y86 PolarHBondContact O-N 2.92Å; T84-T108 WeakPolarHBondContact O-CA 3.32Å; T84-T109 PolarHBondContact N-OG1 2.86Å; T84-T109 PolarHBondContact O-N 2.84Å; T84-T109 PolarHBondContact O-OG1 3.46Å
85V89Confident88.2Confident38 Ų3833.4 Ų33.423%0.2319%0.194CC..EExtended strand (participates in β ladder)trans-80.2115.7176.2-177.30000107.7K57 N58 V106 E107 T108K57-V85 HydrophobicContact CB-CB 4.37Å; K57-V85 HydrophobicContact CB-CG1 4.34Å; K57-V85 HydrophobicContact CD-CG1 4.45Å; K57-V85 PolarHBondContact N-O 2.96Å; N58-V85 PolarHBondContact OD1-N 2.9Å; V85-V106 HydrophobicContact CG1-CG1 3.59Å; V85-E107 CarbonylContact C-O 3.59Å; V85-E107 WeakPolarHBondContact CA-O 3.25Å; V85-T108 HydrophobicContact CG2-CG2 4.04Å
86Y88.7Confident87.9Confident2 Ų236.4 Ų36.41%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-105.3139.5176.4-74.8-86.2000110.8A54 T55 P56 L80 S81 T84 V106 E107 T109A54-Y86 HydrophobicContact CB-CD1 3.85Å; A54-Y86 HydrophobicContact CB-CE1 4.44Å; A54-Y86 HydrophobicContact CB-CG 4.43Å; T55-Y86 WeakPolarHBondContact O-CA 3.4Å; P56-Y86 HydrophobicContact CB-CD1 4.08Å; P56-Y86 HydrophobicContact CB-CE1 3.66Å; P56-Y86 HydrophobicContact CG-CE1 4.12Å; L80-Y86 HydrophobicContact CB-CE2 3.78Å; L80-Y86 HydrophobicContact CD1-CD2 4.35Å; L80-Y86 HydrophobicContact CD1-CE2 4.42Å; L80-Y86 HydrophobicContact CD2-CD1 4.23Å; L80-Y86 HydrophobicContact CD2-CE1 3.94Å; L80-Y86 HydrophobicContact CD2-CE2 4.22Å; L80-Y86 HydrophobicContact CG-CE2 4.36Å; S81-Y86 PolarHBondContact N-OH 2.95Å; T84-Y86 HydrophobicContact CG2-CD2 4Å; T84-Y86 HydrophobicContact CG2-CE1 4.35Å; T84-Y86 HydrophobicContact CG2-CE2 3.44Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.44Å; T84-Y86 WeakPolarHBondContact O-CD2 3.35Å; T84-Y86 PolarHBondContact O-N 2.92Å; Y86-V106 WeakPolarHBondContact O-CA 3.47Å; Y86-E107 PolarHBondContact N-O 3.16Å; Y86-E107 PolarHBondContact O-N 2.89Å; Y86-E107 VanDerWaalsContact O-N 3.08Å; Y86-T109 HydrophobicContact CD2-CG2 3.93Å; Y86-T109 HydrophobicContact CE2-CG2 3.88Å
87T89.7Confident87.3Confident14 Ų1440.1 Ų40.19%0.08623%0.234CC..EExtended strand (participates in β ladder)trans-92.1113.7160.3-49.20000107T55 K57 V106T55-T87 PolarHBondContact N-O 2.84Å; T55-T87 PolarHBondContact O-N 3.09Å; K57-T87 VanDerWaalsContact CD-OG1 3.23Å; K57-T87 WeakPolarHBondContact CD-OG1 3.34Å; K57-T87 WeakPolarHBondContact CE-OG1 3.23Å; K57-T87 PolarHBondContact NZ-OG1 2.68Å; T87-V106 HydrophobicContact CG2-CG2 4.22Å
88M88.5Confident87Confident0 Ų044.5 Ų44.50%026%0.258CS..EExtended strand (participates in β ladder)trans-93.2106.1-179.9-57.8-60.8-72.900107.5L27 M37 V39 I52 A54 V77 E104 T105L27-M88 HydrophobicContact CD2-CB 4.26Å; L27-M88 VanDerWaalsContact CD2-O 3.27Å; L27-M88 WeakPolarHBondContact CD2-O 3.27Å; M37-M88 HydrophobicContact CB-CE 4.14Å; M37-M88 HydrophobicContact SD-CE 4.37Å; M37-M88 HydrophobicContact SD-CG 4.14Å; M37-M88 HydrophobicContact SD-SD 3.89Å; V39-M88 HydrophobicContact CG1-CE 4.02Å; I52-M88 HydrophobicContact CG2-CE 3.91Å; A54-M88 HydrophobicContact CB-CE 3.96Å; A54-M88 HydrophobicContact CB-SD 3.41Å; A54-M88 WeakPolarHBondContact CB-SD 3.27Å; V77-M88 HydrophobicContact CB-CE 4.06Å; V77-M88 HydrophobicContact CG2-CE 3.73Å; M88-E104 VanDerWaalsContact O-CA 3.32Å; M88-E104 WeakPolarHBondContact O-CA 3.23Å; M88-T105 HydrophobicContact CB-CG2 3.95Å; M88-T105 HydrophobicContact CG-CG2 4.46Å; M88-T105 PolarHBondContact N-O 3.27Å; M88-T105 PolarHBondContact O-N 3.1Å
89Q89.9Confident86.8Confident55 Ų5543.5 Ų43.526%0.25726%0.255SS..EExtended strand (participates in β ladder)trans-103.7116.9178.1-172.8177.234.300109.6I52 T53 E91 A103 E104I52-Q89 CarbonylContact C-O 3.54Å; I52-Q89 WeakPolarHBondContact CA-O 3.42Å; T53-Q89 PolarHBondContact N-O 3.05Å; T53-Q89 PolarHBondContact O-N 3.17Å; Q89-E91 HydrophobicContact CG-CG 4.39Å; Q89-A103 WeakPolarHBondContact CA-O 3.06Å; Q89-E104 HydrophobicContact CB-CG 3.91Å; Q89-E104 HydrophobicContact CG-CG 3.74Å; Q89-E104 PolarHBondContact NE2-OE1 2.79Å
90L89.9Confident86.7Confident0 Ų042.3 Ų42.30%024%0.24CC..EExtended strand (participates in β ladder)trans-92.8128.9171.2174.872.8000109I25 L27 W41 Y50 I52 S102 A103I25-L90 HydrophobicContact CD1-CD2 3.49Å; I25-L90 VanDerWaalsContact CD1-CD2 3.49Å; I25-L90 HydrophobicContact CD1-CG 4.22Å; I25-L90 HydrophobicContact CG1-CD2 3.88Å; L27-L90 HydrophobicContact CB-CD2 4.4Å; L27-L90 HydrophobicContact CD1-CB 4.24Å; L27-L90 HydrophobicContact CD1-CD2 4.27Å; L27-L90 HydrophobicContact CD2-CB 3.93Å; L27-L90 HydrophobicContact CG-CB 4.48Å; W41-L90 HydrophobicContact CB-CD2 3.4Å; W41-L90 VanDerWaalsContact CB-CD2 3.4Å; W41-L90 HydrophobicContact CD2-CD1 4.12Å; W41-L90 HydrophobicContact CD2-CD2 4.27Å; W41-L90 HydrophobicContact CG-CD1 4.23Å; W41-L90 HydrophobicContact CG-CD2 3.58Å; Y50-L90 HydrophobicContact CD1-CD1 4.14Å; Y50-L90 HydrophobicContact CG-CD1 4.33Å; I52-L90 HydrophobicContact CD1-CD1 4.16Å; I52-L90 HydrophobicContact CG1-CB 4.46Å; I52-L90 HydrophobicContact CG1-CD1 3.5Å; L90-S102 CarbonylContact O-C 3.59Å; L90-S102 WeakPolarHBondContact O-CA 3.2Å; L90-S102 WeakPolarHBondContact O-CB 3.28Å; L90-A103 PolarHBondContact N-O 3.2Å; L90-A103 PolarHBondContact O-N 2.97Å
91E89.7Confident86.5Confident31 Ų3142.5 Ų42.515%0.14524%0.242CC..EExtended strand (participates in β ladder)trans-119.4118.4174.1-61.7178121.800108.6Y50 K51 Q89 M93 V99Y50-E91 WeakPolarHBondContact CA-O 3.09Å; K51-E91 PolarHBondContact N-O 3.14Å; K51-E91 IonicContact NZ-OE2 2.78Å; K51-E91 PolarHBondContact NZ-OE2 2.86Å; K51-E91 PolarHBondContact O-N 3.12Å; Q89-E91 HydrophobicContact CG-CG 4.39Å; E91-M93 HydrophobicContact CB-CE 3.85Å; E91-M93 WeakPolarHBondContact OE2-CE 3.07Å; E91-V99 HydrophobicContact CB-CG1 4.15Å; E91-V99 HydrophobicContact CB-CG2 4.19Å; E91-V99 HydrophobicContact CG-CG1 4.38Å; E91-V99 HydrophobicContact CG-CG2 4.33Å
92A87.4Confident86.5Confident0 Ų042.8 Ų42.80%024%0.244CC..EExtended strand (participates in β ladder)trans-84125.3170.800000109I25 H44 A47 Y50 V99 L100 S101I25-A92 HydrophobicContact CD1-CB 4Å; H44-A92 HydrophobicContact CB-CB 4.27Å; A47-A92 HydrophobicContact CB-CB 4.01Å; Y50-A92 HydrophobicContact CD1-CB 3.86Å; Y50-A92 HydrophobicContact CE1-CB 3.68Å; A92-V99 CarbonylContact O-C 3.57Å; A92-V99 WeakPolarHBondContact O-CA 3.32Å; A92-L100 PolarHBondContact O-N 3.47Å; A92-S101 PolarHBondContact N-O 3.21Å
93M88.4Confident86.5Confident13 Ų1341.7 Ų41.76%0.06424%0.238CC..EExtended strand (participates in β ladder)trans-122.1142-169.4-66.7-179.8169.800112.9A47 S48 S49 K51 E91 L97 N98 V99A47-M93 CarbonylContact C-O 3.55Å; A47-M93 WeakPolarHBondContact CA-O 3.49Å; S48-M93 PolarHBondContact N-O 2.67Å; S48-M93 PolarHBondContact OG-O 3.13Å; S49-M93 PolarHBondContact N-O 3.18Å; S49-M93 PolarHBondContact O-N 2.72Å; K51-M93 HydrophobicContact CB-CE 3.89Å; K51-M93 HydrophobicContact CB-SD 3.98Å; K51-M93 HydrophobicContact CD-CE 3.66Å; K51-M93 HydrophobicContact CD-SD 4.4Å; K51-M93 HydrophobicContact CG-CE 4.44Å; E91-M93 HydrophobicContact CB-CE 3.85Å; E91-M93 WeakPolarHBondContact OE2-CE 3.07Å; M93-L97 HydrophobicContact SD-CD2 4.24Å; M93-N98 VanDerWaalsContact CA-O 3.31Å; M93-N98 WeakPolarHBondContact CA-O 3.44Å; M93-V99 HydrophobicContact CE-CG2 4.08Å
94D84.4Confident86.5Confident39 Ų3944.8 Ų44.821%0.20925%0.251CS..  trans-79.4179.9170.975.45.5000112.9S48 A96 L97 N98 L100S48-D94 PolarHBondContact OG-O 3.1Å; D94-A96 PolarHBondContact O-N 3.23Å; D94-A96 VanDerWaalsContact O-N 3.16Å; D94-A96 VanDerWaalsContact OD1-C 3.22Å; D94-A96 VanDerWaalsContact OD1-CA 3.27Å; D94-A96 WeakPolarHBondContact OD1-CA 3.43Å; D94-A96 WeakPolarHBondContact OD1-CB 3.47Å; D94-A96 PolarHBondContact OD1-N 2.05Å; D94-L97 PolarHBondContact O-N 3.39Å; D94-L97 PolarHBondContact OD1-N 3.44Å; D94-N98 PolarHBondContact N-O 3.02Å; D94-N98 VanDerWaalsContact N-O 3.1Å; D94-N98 PolarHBondContact OD1-N 3.15Å; D94-N98 PolarHBondContact OD1-ND2 2.87Å; D94-N98 PolarHBondContact OD2-ND2 2.04Å; D94-L100 HydrophobicContact CB-CD1 4.07Å; D94-L100 HydrophobicContact CB-CD2 4.14Å; D94-L100 HydrophobicContact CB-CG 4.17Å
95N82.1Confident86.6Confident149 Ų14945.8 Ų45.880%0.79726%0.257SS*.THydrogen-bonded Turntrans-63.3-15.1176.7-75.7-21.7000114.7S48S48-N95 WeakPolarHBondContact CB-OD1 3.24Å; S48-N95 PolarHBondContact OG-N 2.83Å; S48-N95 PolarHBondContact OG-OD1 2.83Å
96A82.3Confident86.6Confident71 Ų7147.3 Ų47.359%0.58727%0.266SS*.THydrogen-bonded Turntrans-101.78.4176.100000112.4D94 N98D94-A96 PolarHBondContact O-N 3.23Å; D94-A96 VanDerWaalsContact O-N 3.16Å; D94-A96 VanDerWaalsContact OD1-C 3.22Å; D94-A96 VanDerWaalsContact OD1-CA 3.27Å; D94-A96 WeakPolarHBondContact OD1-CA 3.43Å; D94-A96 WeakPolarHBondContact OD1-CB 3.47Å; D94-A96 PolarHBondContact OD1-N 2.05Å; A96-N98 VanDerWaalsContact C-N 3.27Å; A96-N98 PolarHBondContact O-N 3.4Å
97L76.9Confident86.5Confident111 Ų11150.4 Ų50.458%0.58128%0.28SS*.  trans64.421.7-177.4-56.4170.3000114.6M93 D94M93-L97 HydrophobicContact SD-CD2 4.24Å; D94-L97 PolarHBondContact O-N 3.39Å; D94-L97 PolarHBondContact OD1-N 3.44Å
98N83Confident86.5Confident93 Ų9351.1 Ų51.150%0.49729%0.285SS..  trans-75.8137.3169.8-55.1-61.7000110.1M93 D94 A96 L100M93-N98 VanDerWaalsContact CA-O 3.31Å; M93-N98 WeakPolarHBondContact CA-O 3.44Å; D94-N98 PolarHBondContact N-O 3.02Å; D94-N98 VanDerWaalsContact N-O 3.1Å; D94-N98 PolarHBondContact OD1-N 3.15Å; D94-N98 PolarHBondContact OD1-ND2 2.87Å; D94-N98 PolarHBondContact OD2-ND2 2.04Å; A96-N98 VanDerWaalsContact C-N 3.27Å; A96-N98 PolarHBondContact O-N 3.4Å; N98-L100 PolarHBondContact O-N 2.86Å
99V84.8Confident86.5Confident70 Ų7051.1 Ų51.142%0.42429%0.285SS..EExtended strand (participates in β ladder)trans-74114.8174.9-176.70000109.4E91 A92 M93E91-V99 HydrophobicContact CB-CG1 4.15Å; E91-V99 HydrophobicContact CB-CG2 4.19Å; E91-V99 HydrophobicContact CG-CG1 4.38Å; E91-V99 HydrophobicContact CG-CG2 4.33Å; A92-V99 CarbonylContact O-C 3.57Å; A92-V99 WeakPolarHBondContact O-CA 3.32Å; M93-V99 HydrophobicContact CE-CG2 4.08Å
100L84.7Confident86.5Confident77 Ų7748.5 Ų48.540%0.40327%0.272SS..EExtended strand (participates in β ladder)trans-83.7-39.4177.8-63.6175.8000112.3G46 A47 A92 D94 N98G46-L100 WeakPolarHBondContact O-CD1 3.47Å; A47-L100 HydrophobicContact CB-CD1 4.33Å; A92-L100 PolarHBondContact O-N 3.47Å; D94-L100 HydrophobicContact CB-CD1 4.07Å; D94-L100 HydrophobicContact CB-CD2 4.14Å; D94-L100 HydrophobicContact CB-CG 4.17Å; N98-L100 PolarHBondContact O-N 2.86Å
101S84.9Confident86.6Confident8 Ų848.5 Ų48.56%0.05627%0.272CS..EExtended strand (participates in β ladder)trans-158.1150.7-177.2-175.50000109.1D24 I25 A92D24-S101 PolarHBondContact N-OG 3.35Å; I25-S101 WeakPolarHBondContact CG2-OG 3.46Å; A92-S101 PolarHBondContact N-O 3.21Å
102S87.6Confident86.7Confident31 Ų3150.2 Ų50.222%0.21728%0.283CS..EExtended strand (participates in β ladder)trans-137.7154.4177.9660000113N23 L90N23-S102 PolarHBondContact ND2-O 2.96Å; N23-S102 VanDerWaalsContact ND2-O 3.11Å; L90-S102 CarbonylContact O-C 3.59Å; L90-S102 WeakPolarHBondContact O-CA 3.2Å; L90-S102 WeakPolarHBondContact O-CB 3.28Å
103A88.2Confident86.8Confident10 Ų1051.9 Ų51.98%0.08329%0.293CS..EExtended strand (participates in β ladder)trans-142.9147.2173.300000110.7I25 L27 Q89 L90I25-A103 HydrophobicContact CG2-CB 3.76Å; I25-A103 WeakPolarHBondContact O-CB 3.36Å; L27-A103 HydrophobicContact CB-CB 3.88Å; Q89-A103 WeakPolarHBondContact CA-O 3.06Å; L90-A103 PolarHBondContact N-O 3.2Å; L90-A103 PolarHBondContact O-N 2.97Å
104E89.3Confident87Confident118 Ų11851.4 Ų51.455%0.55129%0.29SS*.EExtended strand (participates in β ladder)trans-127.1141.7179.4-71.9-178.6-161.700111.3M88 Q89M88-E104 VanDerWaalsContact O-CA 3.32Å; M88-E104 WeakPolarHBondContact O-CA 3.23Å; Q89-E104 HydrophobicContact CB-CG 3.91Å; Q89-E104 HydrophobicContact CG-CG 3.74Å; Q89-E104 PolarHBondContact NE2-OE1 2.79Å
105T88.4Confident87.4Confident32 Ų3253.5 Ų53.520%0.19631%0.305CS..EExtended strand (participates in β ladder)trans-134.1161.2162.9-170.10000110.2L27 V29 M88L27-T105 HydrophobicContact CD2-CG2 3.9Å; L27-T105 HydrophobicContact CG-CG2 4.08Å; V29-T105 HydrophobicContact CG2-CG2 3.8Å; M88-T105 HydrophobicContact CB-CG2 3.95Å; M88-T105 HydrophobicContact CG-CG2 4.46Å; M88-T105 PolarHBondContact N-O 3.27Å; M88-T105 PolarHBondContact O-N 3.1Å
106V88.7Confident88Confident70 Ų7047.9 Ų47.942%0.42427%0.274SS..EExtended strand (participates in β ladder)trans-123.8116.7179.8-177.30000108.6K57 V85 Y86 T87K57-V106 HydrophobicContact CD-CG1 4.49Å; V85-V106 HydrophobicContact CG1-CG1 3.59Å; Y86-V106 WeakPolarHBondContact O-CA 3.47Å; T87-V106 HydrophobicContact CG2-CG2 4.22Å
107E87.8Confident88.6Confident67 Ų6749.4 Ų49.431%0.31327%0.273SS..EExtended strand (participates in β ladder)trans-130.7164178.3-68.9-57.7164.100111V29 M37 V85 Y86V29-E107 HydrophobicContact CB-CG 4.04Å; V29-E107 HydrophobicContact CG1-CG 4.39Å; V29-E107 HydrophobicContact CG2-CB 4.49Å; V29-E107 HydrophobicContact CG2-CG 3.45Å; V29-E107 VanDerWaalsContact CG2-CG 3.45Å; M37-E107 HydrophobicContact CE-CB 3.57Å; M37-E107 HydrophobicContact SD-CB 4.08Å; V85-E107 CarbonylContact C-O 3.59Å; V85-E107 WeakPolarHBondContact CA-O 3.25Å; Y86-E107 PolarHBondContact N-O 3.16Å; Y86-E107 PolarHBondContact O-N 2.89Å; Y86-E107 VanDerWaalsContact O-N 3.08Å
108T89.8Confident89.3Confident28 Ų2848.6 Ų48.617%0.17227%0.266CS..EExtended strand (participates in β ladder)trans-110.9134.8176-46.10000109.1V32 M37 T84 V85 G183V32-T108 WeakPolarHBondContact CG1-O 3.29Å; M37-T108 WeakPolarHBondContact CE-O 3.05Å; T84-T108 WeakPolarHBondContact O-CA 3.32Å; V85-T108 HydrophobicContact CG2-CG2 4.04Å; T108-G183 WeakPolarHBondContact O-CA 2.95Å
109T89.2Confident89.8Confident0 Ų045.1 Ų45.10%025%0.25CS..PPolyproline II helixtrans-66155.1169.846.10000110.8M37 L80 S81 N83 T84 Y86 N181M37-T109 HydrophobicContact CE-CG2 3.81Å; L80-T109 HydrophobicContact CB-CG2 3.88Å; L80-T109 HydrophobicContact CD1-CG2 3.9Å; S81-T109 WeakPolarHBondContact O-CB 3.47Å; S81-T109 PolarHBondContact O-OG1 3.26Å; N83-T109 PolarHBondContact N-OG1 2.94Å; N83-T109 VanDerWaalsContact N-OG1 3.12Å; T84-T109 PolarHBondContact N-OG1 2.86Å; T84-T109 PolarHBondContact O-N 2.84Å; T84-T109 PolarHBondContact O-OG1 3.46Å; Y86-T109 HydrophobicContact CD2-CG2 3.93Å; Y86-T109 HydrophobicContact CE2-CG2 3.88Å; T109-N181 PolarHBondContact O-ND2 3.46Å
110A89.4Confident90.2Very high0 Ų044.7 Ų44.70%024%0.242CC..PPolyproline II helixtrans-62.1160.3171.100000110.5T33 P82 N83 R185T33-A110 PolarHBondContact O-N 3.38Å; P82-A110 WeakPolarHBondContact CA-O 3.47Å; N83-A110 PolarHBondContact N-O 3Å; A110-R185 WeakPolarHBondContact CB-O 3.5Å
111P91.3Very high90.6Very high0 Ų042 Ų420%023%0.229CC..PPolyproline II helixtrans-65.8169.1175.6-926.1000110.7S34 V134 A137 S179 N181S34-P111 WeakPolarHBondContact CB-O 3.49Å; P111-V134 HydrophobicContact CB-CG2 3.81Å; P111-A137 HydrophobicContact CB-CB 4.15Å; P111-A137 HydrophobicContact CG-CB 3.95Å; P111-S179 WeakPolarHBondContact CB-OG 3.39Å; P111-S179 PolarHBondContact O-OG 2.93Å; P111-N181 HydrophobicContact CG-CB 3.76Å
112D91.4Very high90.7Very high68 Ų6848 Ų4836%0.36425%0.254SS..PPolyproline II helixtrans-66.1166-179.1-153.12.3000111.8P82 P114 V134 S179P82-D112 HydrophobicContact CB-CB 3.77Å; P82-D112 HydrophobicContact CG-CB 3.78Å; D112-P114 WeakPolarHBondContact O-CD 3.22Å; D112-V134 WeakPolarHBondContact O-CG2 3.45Å; D112-S179 WeakPolarHBondContact O-CB 3.41Å; D112-S179 PolarHBondContact O-OG 2.98Å
113V90.6Very high90.9Very high35 Ų3550 Ų5021%0.21226%0.263CS..PPolyproline II helixtrans-73.6120.4-178.5-170.70000109.4Q187V113-Q187 HydrophobicContact CG2-CG 3.31Å
114P93.1Very high91.1Very high2 Ų250.1 Ų50.11%0.01326%0.262CS..PPolyproline II helixtrans-69149.2175.112.1-5.5000111.3D112 F131 A132 V134 Y140 V177 S189D112-P114 WeakPolarHBondContact O-CD 3.22Å; P114-F131 HydrophobicContact CB-CD2 4.34Å; P114-A132 WeakPolarHBondContact CB-O 3.47Å; P114-V134 HydrophobicContact CB-CG1 4.07Å; P114-Y140 HydrophobicContact CB-CE1 4.25Å; P114-Y140 HydrophobicContact CG-CD1 3.97Å; P114-Y140 HydrophobicContact CG-CE1 4.02Å; P114-V177 HydrophobicContact CB-CG1 3.95Å; P114-V177 HydrophobicContact CG-CB 4.45Å; P114-V177 HydrophobicContact CG-CG1 3.87Å; P114-V177 HydrophobicContact CG-CG2 4.03Å; P114-S189 WeakPolarHBondContact O-CB 3.36Å
115T92.7Very high91.3Very high84 Ų8448.1 Ų48.152%0.51526%0.256SS..PPolyproline II helixtrans-97137.6170.851.60000110F131 A132T115-F131 CarbonylContact O-C 3.57Å; T115-F131 WeakPolarHBondContact O-CA 3.42Å; T115-F131 VanDerWaalsContact O-CB 3.24Å; T115-F131 WeakPolarHBondContact O-CB 3.47Å; T115-A132 PolarHBondContact O-N 2.81Å; T115-A132 WeakPolarHBondContact OG1-CB 3.1Å
116I94.8Very high91.6Very high30 Ų3047.1 Ų47.115%0.15425%0.25CC..EExtended strand (participates in β ladder)trans-80.7126.5170.4-60.7176000108.2V129 L175 V177 I192I116-V129 HydrophobicContact CB-CG1 4.31Å; I116-V129 HydrophobicContact CD1-CG1 3.97Å; I116-V129 HydrophobicContact CG1-CG1 3.92Å; I116-V129 HydrophobicContact CG2-CG1 3.52Å; I116-L175 WeakPolarHBondContact CD1-O 3.19Å; I116-V177 HydrophobicContact CD1-CG1 4.23Å; I116-V177 HydrophobicContact CG1-CG1 3.63Å; I116-I192 HydrophobicContact CB-CG2 4.5Å; I116-I192 HydrophobicContact CD1-CG2 3.87Å; I116-I192 HydrophobicContact CG2-CD1 4.47Å; I116-I192 HydrophobicContact CG2-CG2 3.88Å
117D93.6Very high91.9Very high103 Ų10343.8 Ų43.855%0.55123%0.23SC*.EExtended strand (participates in β ladder)trans-88.1-44.1178.1-53.9-46.6000110E130 F131 A132D117-E130 PolarHBondContact N-O 3.05Å; D117-F131 WeakPolarHBondContact OD2-CA 3.34Å; D117-A132 PolarHBondContact OD2-N 2.87Å; D117-A132 VanDerWaalsContact OD2-N 3.1Å
118Q93Very high92.2Very high94 Ų9441.6 Ų41.644%0.43922%0.221SC..EExtended strand (participates in β ladder)trans-158.8157.1170.557.8179.6-8.100112.5Y120 E130Q118-Y120 HydrophobicContact CG-CD1 4.42Å; Q118-Y120 HydrophobicContact CG-CE1 4.45Å; Q118-E130 HydrophobicContact CG-CB 3.89Å; Q118-E130 HydrophobicContact CG-CG 4.49Å; Q118-E130 PolarHBondContact N-O 2.91Å; Q118-E130 VanDerWaalsContact N-O 3.16Å; Q118-E130 PolarHBondContact NE2-OE2 2.85Å; Q118-E130 PolarHBondContact O-N 2.94Å
119A93.4Very high92.5Very high20 Ų2040.4 Ų40.417%0.16521%0.214CC..EExtended strand (participates in β ladder)trans-133135.5170.200000110.3I127 T128 V129 L175 I192 A194A119-I127 HydrophobicContact CB-CG2 4.33Å; A119-T128 WeakPolarHBondContact CA-O 3.46Å; A119-V129 HydrophobicContact CB-CG1 4.4Å; A119-V129 HydrophobicContact CB-CG2 4.12Å; A119-L175 HydrophobicContact CB-CD1 4.32Å; A119-I192 HydrophobicContact CB-CG2 3.68Å; A119-A194 HydrophobicContact CB-CB 4.03Å
120Y92.1Very high92.8Very high62 Ų6242.7 Ų42.724%0.24322%0.224CC..EExtended strand (participates in β ladder)trans-149.5149.7179.558.2-99.4000111.8Q118 K122 T128 E130Q118-Y120 HydrophobicContact CG-CD1 4.42Å; Q118-Y120 HydrophobicContact CG-CE1 4.45Å; Y120-K122 HydrophobicContact CD2-CD 4.39Å; Y120-K122 HydrophobicContact CD2-CG 4.08Å; Y120-K122 HydrophobicContact CE2-CD 3.91Å; Y120-K122 VanDerWaalsContact CE2-CE 3.42Å; Y120-K122 HydrophobicContact CE2-CG 4.11Å; Y120-T128 HydrophobicContact CE2-CG2 4.2Å; Y120-T128 PolarHBondContact N-O 2.75Å; Y120-T128 PolarHBondContact O-N 2.65Å; Y120-E130 WeakPolarHBondContact CE1-OE1 3.4Å; Y120-E130 PolarHBondContact OH-OE1 2.79Å
121S92.9Very high93.1Very high21 Ų2142.9 Ų42.915%0.14723%0.225CC..EExtended strand (participates in β ladder)trans-97.9141.1169.8-178.90000110.8N123 S126 R195 T196 V197S121-N123 PolarHBondContact OG-N 3.09Å; S121-N123 PolarHBondContact OG-O 2.9Å; S121-S126 WeakPolarHBondContact CB-O 3.01Å; S121-S126 PolarHBondContact OG-O 3.33Å; S121-R195 WeakPolarHBondContact CB-O 3.46Å; S121-T196 WeakPolarHBondContact OG-CA 2.99Å; S121-V197 PolarHBondContact OG-N 3.17Å
122K87.9Confident93.2Very high133 Ų13344.5 Ų44.558%0.57824%0.239SC*.EExtended strand (participates in β ladder)trans-116.3-11.1167.8-75.3175.6177.1160.20112.6Y120Y120-K122 HydrophobicContact CD2-CD 4.39Å; Y120-K122 HydrophobicContact CD2-CG 4.08Å; Y120-K122 HydrophobicContact CE2-CD 3.91Å; Y120-K122 VanDerWaalsContact CE2-CE 3.42Å; Y120-K122 HydrophobicContact CE2-CG 4.11Å
123N91.7Very high93.2Very high74 Ų7447 Ų4740%0.39625%0.248SC..EExtended strand (participates in β ladder)trans-144.5146.5-172.8-67.5100.6000109.6S121 D125 S126 V197 D274S121-N123 PolarHBondContact OG-N 3.09Å; S121-N123 PolarHBondContact OG-O 2.9Å; N123-D125 PolarHBondContact O-N 2.87Å; N123-D125 VanDerWaalsContact O-N 3.1Å; N123-S126 WeakPolarHBondContact CB-OG 3.4Å; N123-S126 PolarHBondContact O-N 3.22Å; N123-S126 VanDerWaalsContact O-O 3.07Å; N123-V197 VanDerWaalsContact C-CG2 3.46Å; N123-D274 WeakPolarHBondContact CA-OD1 3.42Å; N123-D274 WeakPolarHBondContact CB-OD1 3.36Å; N123-D274 PolarHBondContact ND2-OD1 2.97Å
124S92.9Very high93.2Very high11 Ų1146.7 Ų46.78%0.07725%0.246CC..THydrogen-bonded Turntrans-67-16.4-170.565.60000114.4Q168 P169 T196 V197 D274S124-Q168 CarbonylContact O-C 3.47Å; S124-P169 VanDerWaalsContact O-CA 3.24Å; S124-P169 WeakPolarHBondContact O-CA 3.21Å; S124-T196 VanDerWaalsContact O-CB 3.3Å; S124-T196 WeakPolarHBondContact O-CB 3.1Å; S124-T196 WeakPolarHBondContact O-CG2 3.23Å; S124-V197 WeakPolarHBondContact CA-O 3.4Å; S124-V197 WeakPolarHBondContact CB-O 3.42Å; S124-D274 WeakPolarHBondContact CB-OD2 3.37Å; S124-D274 PolarHBondContact N-OD1 2.99Å; S124-D274 PolarHBondContact N-OD2 2.84Å; S124-D274 PolarHBondContact OG-OD2 2.85Å
125D93.2Very high92.9Very high76 Ų7651.7 Ų51.741%0.40628%0.281SS..THydrogen-bonded Turntrans-103.74.1-178.374.9-15.6000114.2N123 V165 G166 L167N123-D125 PolarHBondContact O-N 2.87Å; N123-D125 VanDerWaalsContact O-N 3.1Å; D125-V165 CarbonylContact O-C 3.6Å; D125-G166 PolarHBondContact O-N 2.81Å; D125-L167 WeakPolarHBondContact CA-O 3.34Å; D125-L167 WeakPolarHBondContact O-CB 2.91Å; D125-L167 PolarHBondContact O-N 2.81Å
126S94.1Very high92.6Very high11 Ų1149.1 Ų49.18%0.07727%0.271CS..EExtended strand (participates in β ladder)trans-155.3151.8-169.347.10000115.9S121 N123 V164S121-S126 WeakPolarHBondContact CB-O 3.01Å; S121-S126 PolarHBondContact OG-O 3.33Å; N123-S126 WeakPolarHBondContact CB-OG 3.4Å; N123-S126 PolarHBondContact O-N 3.22Å; N123-S126 VanDerWaalsContact O-O 3.07Å; S126-V164 WeakPolarHBondContact CA-O 3.39Å; S126-V164 WeakPolarHBondContact CB-O 3.41Å
127I94.8Very high92.4Very high0 Ų048.9 Ų48.90%027%0.274CS..EExtended strand (participates in β ladder)trans-129.8129.4176-65.1168.3000108.9A119 V129 T163 V164 L167 Y173 L175 A194 T196A119-I127 HydrophobicContact CB-CG2 4.33Å; I127-V129 HydrophobicContact CG2-CG2 4.39Å; I127-T163 CarbonylContact O-C 3.59Å; I127-T163 WeakPolarHBondContact O-CA 3.47Å; I127-V164 PolarHBondContact N-O 2.85Å; I127-V164 PolarHBondContact O-N 2.91Å; I127-L167 HydrophobicContact CB-CD1 4Å; I127-L167 HydrophobicContact CD1-CD1 3.71Å; I127-L167 HydrophobicContact CG1-CD1 3.66Å; I127-Y173 HydrophobicContact CD1-CD2 3.89Å; I127-Y173 HydrophobicContact CD1-CG 4.3Å; I127-L175 HydrophobicContact CB-CD2 3.95Å; I127-L175 HydrophobicContact CD1-CD1 4.16Å; I127-L175 HydrophobicContact CD1-CD2 4.29Å; I127-L175 HydrophobicContact CG2-CD1 4.1Å; I127-L175 HydrophobicContact CG2-CD2 3.51Å; I127-L175 HydrophobicContact CG2-CG 4.48Å; I127-A194 HydrophobicContact CD1-CB 4.3Å; I127-A194 WeakPolarHBondContact CD1-O 3.08Å; I127-A194 HydrophobicContact CG2-CB 4.17Å; I127-T196 HydrophobicContact CD1-CG2 4.12Å; I127-T196 HydrophobicContact CG1-CG2 3.93Å
128T95.1Very high92.3Very high21 Ų2148.9 Ų48.913%0.12928%0.278CS..EExtended strand (participates in β ladder)trans-95.2134.3173.3-62.50000109.7A119 Y120 P161 G162 T163A119-T128 WeakPolarHBondContact CA-O 3.46Å; Y120-T128 HydrophobicContact CE2-CG2 4.2Å; Y120-T128 PolarHBondContact N-O 2.75Å; Y120-T128 PolarHBondContact O-N 2.65Å; T128-P161 HydrophobicContact CG2-CB 3.75Å; T128-G162 CarbonylContact C-O 3.57Å; T128-G162 WeakPolarHBondContact CA-O 3.32Å; T128-T163 PolarHBondContact OG1-OG1 3.48Å
129V95.5Very high92.4Very high3 Ų346.1 Ų46.12%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-120.8123.6179-170.40000108.9I116 A119 I127 F131 L142 P161 G162 L175I116-V129 HydrophobicContact CB-CG1 4.31Å; I116-V129 HydrophobicContact CD1-CG1 3.97Å; I116-V129 HydrophobicContact CG1-CG1 3.92Å; I116-V129 HydrophobicContact CG2-CG1 3.52Å; A119-V129 HydrophobicContact CB-CG1 4.4Å; A119-V129 HydrophobicContact CB-CG2 4.12Å; I127-V129 HydrophobicContact CG2-CG2 4.39Å; V129-F131 HydrophobicContact CG1-CD1 4.34Å; V129-L142 HydrophobicContact CB-CD2 3.69Å; V129-L142 HydrophobicContact CG2-CD2 3.84Å; V129-P161 WeakPolarHBondContact O-CA 3.17Å; V129-G162 PolarHBondContact N-O 3.21Å; V129-G162 PolarHBondContact O-N 2.01Å; V129-L175 HydrophobicContact CG2-CB 4.36Å; V129-L175 HydrophobicContact CG2-CD2 3.62Å
130E95.7Very high92.4Very high49 Ų4945.5 Ų45.523%0.22926%0.262CS..EExtended strand (participates in β ladder)trans-98125.3170.1-74.5168.8-150.400108D117 Q118 Y120 P161D117-E130 PolarHBondContact N-O 3.05Å; Q118-E130 HydrophobicContact CG-CB 3.89Å; Q118-E130 HydrophobicContact CG-CG 4.49Å; Q118-E130 PolarHBondContact N-O 2.91Å; Q118-E130 VanDerWaalsContact N-O 3.16Å; Q118-E130 PolarHBondContact NE2-OE2 2.85Å; Q118-E130 PolarHBondContact O-N 2.94Å; Y120-E130 WeakPolarHBondContact CE1-OE1 3.4Å; Y120-E130 PolarHBondContact OH-OE1 2.79Å; E130-P161 HydrophobicContact CG-CB 3.71Å; E130-P161 HydrophobicContact CG-CG 4.49Å
131F95Very high92.6Very high3 Ų343.2 Ų43.21%0.01325%0.254CS..EExtended strand (participates in β ladder)trans-140.1154-175.956.4-93.1000112.1P114 T115 D117 V129 Q133 Y140 L142 S160 V177P114-F131 HydrophobicContact CB-CD2 4.34Å; T115-F131 CarbonylContact O-C 3.57Å; T115-F131 WeakPolarHBondContact O-CA 3.42Å; T115-F131 VanDerWaalsContact O-CB 3.24Å; T115-F131 WeakPolarHBondContact O-CB 3.47Å; D117-F131 WeakPolarHBondContact OD2-CA 3.34Å; V129-F131 HydrophobicContact CG1-CD1 4.34Å; F131-Q133 PolarHBondContact O-N 3.37Å; F131-Y140 HydrophobicContact CD2-CD1 4.04Å; F131-Y140 HydrophobicContact CD2-CE1 4.14Å; F131-Y140 HydrophobicContact CD2-CG 4.44Å; F131-Y140 AromaticContact CE2-CD1 3.38Å; F131-Y140 HydrophobicContact CE2-CD1 3.38Å; F131-Y140 AromaticContact CE2-CD2 3.67Å; F131-Y140 HydrophobicContact CE2-CD2 3.67Å; F131-Y140 AromaticContact CE2-CE1 3.66Å; F131-Y140 HydrophobicContact CE2-CE1 3.66Å; F131-Y140 AromaticContact CE2-CE2 3.96Å; F131-Y140 HydrophobicContact CE2-CE2 3.96Å; F131-Y140 AromaticContact CE2-CG 3.39Å; F131-Y140 HydrophobicContact CE2-CG 3.39Å; F131-Y140 AromaticContact CE2-CZ 3.96Å; F131-Y140 HydrophobicContact CZ-CD1 4.08Å; F131-Y140 AromaticContact CZ-CD2 3.92Å; F131-Y140 HydrophobicContact CZ-CD2 3.92Å; F131-Y140 AromaticContact CZ-CG 3.65Å; F131-Y140 HydrophobicContact CZ-CG 3.65Å; F131-L142 HydrophobicContact CE1-CD1 4.19Å; F131-L142 HydrophobicContact CE1-CD2 4.41Å; F131-L142 HydrophobicContact CE1-CG 4.39Å; F131-S160 PolarHBondContact N-OG 3.21Å; F131-S160 WeakPolarHBondContact O-CB 3.04Å; F131-S160 PolarHBondContact O-OG 2.89Å; F131-V177 HydrophobicContact CB-CG1 4.05Å; F131-V177 HydrophobicContact CD1-CG2 4.11Å; F131-V177 HydrophobicContact CD2-CG2 4.17Å; F131-V177 HydrophobicContact CE1-CG2 4.21Å; F131-V177 HydrophobicContact CE2-CG2 4.29Å; F131-V177 HydrophobicContact CG-CG1 4.26Å; F131-V177 HydrophobicContact CG-CG2 4.09Å; F131-V177 HydrophobicContact CZ-CG2 4.3Å
132A93.6Very high92.7Very high35 Ų3542.3 Ų42.329%0.28925%0.248SC..  trans-69.3127.2176.700000110.7P114 T115 D117P114-A132 WeakPolarHBondContact CB-O 3.47Å; T115-A132 PolarHBondContact O-N 2.81Å; T115-A132 WeakPolarHBondContact OG1-CB 3.1Å; D117-A132 PolarHBondContact OD2-N 2.87Å; D117-A132 VanDerWaalsContact OD2-N 3.1Å
133Q91.1Very high93Very high121 Ų12138.7 Ų38.757%0.56523%0.23SC*.  trans-76.4134.5176.6-62.6-173.123.300110.7F131 Y140F131-Q133 PolarHBondContact O-N 3.37Å; Q133-Y140 VanDerWaalsContact CA-OH 3.28Å; Q133-Y140 WeakPolarHBondContact CA-OH 3.43Å; Q133-Y140 WeakPolarHBondContact CB-OH 3.39Å
134V91.1Very high93.1Very high27 Ų2735.1 Ų35.116%0.16421%0.211CC..  trans-104.4143.4-178-59.40000111.3P111 D112 P114 G136 A137 Y140P111-V134 HydrophobicContact CB-CG2 3.81Å; D112-V134 WeakPolarHBondContact O-CG2 3.45Å; P114-V134 HydrophobicContact CB-CG1 4.07Å; V134-G136 PolarHBondContact O-N 2.78Å; V134-A137 HydrophobicContact CG2-CB 3.79Å; V134-A137 PolarHBondContact O-N 2.92Å; V134-Y140 HydrophobicContact CG2-CE1 4.1Å; V134-Y140 PolarHBondContact N-OH 2.81Å
135S87.5Confident93.1Very high108 Ų10836.9 Ų36.976%0.75522%0.218SC*.THydrogen-bonded Turntrans-64.4132.6179.3-1700000111.3
136G85.5Confident92.8Very high29 Ų2933.9 Ų33.930%0.29920%0.204SC..THydrogen-bonded Turntrans89.2-4.6179.300000116.2N83 V134 N181N83-G136 WeakPolarHBondContact ND2-CA 3.45Å; V134-G136 PolarHBondContact O-N 2.78Å; G136-N181 WeakPolarHBondContact O-CB 3.42Å
137A91Very high92Very high26 Ų2638.7 Ų38.722%0.21522%0.223CC..  trans-72.8132.6170.800000111.6P111 V134 Y140 V180P111-A137 HydrophobicContact CB-CB 4.15Å; P111-A137 HydrophobicContact CG-CB 3.95Å; V134-A137 HydrophobicContact CG2-CB 3.79Å; V134-A137 PolarHBondContact O-N 2.92Å; A137-Y140 HydrophobicContact CB-CE1 4.08Å; A137-Y140 HydrophobicContact CB-CE2 4.14Å; A137-V180 CarbonylContact C-O 3.55Å; A137-V180 WeakPolarHBondContact CA-O 3.46Å
138T91.5Very high91.2Very high103 Ų10343.2 Ų43.263%0.63225%0.251SS*.SBendtrans-94.1-22.4170.357.20000112.4V180T138-V180 PolarHBondContact N-O 2.6Å; T138-V180 PolarHBondContact OG1-O 3.26Å; T138-V180 VanDerWaalsContact OG1-O 3.11Å
139S94.2Very high90.2Very high36 Ų3644.3 Ų44.325%0.25227%0.266SS..EExtended strand (participates in β ladder)trans-162.6175.8173.757.50000110.3V180S139-V180 PolarHBondContact N-O 2.82Å; S139-V180 WeakPolarHBondContact O-CB 3.39Å; S139-V180 PolarHBondContact O-N 3.19Å
140Y94.9Very high89.5Confident6 Ų650.3 Ų50.32%0.02430%0.298CS..EExtended strand (participates in β ladder)trans-128.8153.7177.7-59.8-93.7000109.4P114 F131 Q133 V134 A137 P156 A157 V177 M178P114-Y140 HydrophobicContact CB-CE1 4.25Å; P114-Y140 HydrophobicContact CG-CD1 3.97Å; P114-Y140 HydrophobicContact CG-CE1 4.02Å; F131-Y140 HydrophobicContact CD2-CD1 4.04Å; F131-Y140 HydrophobicContact CD2-CE1 4.14Å; F131-Y140 HydrophobicContact CD2-CG 4.44Å; F131-Y140 AromaticContact CE2-CD1 3.38Å; F131-Y140 HydrophobicContact CE2-CD1 3.38Å; F131-Y140 AromaticContact CE2-CD2 3.67Å; F131-Y140 HydrophobicContact CE2-CD2 3.67Å; F131-Y140 AromaticContact CE2-CE1 3.66Å; F131-Y140 HydrophobicContact CE2-CE1 3.66Å; F131-Y140 AromaticContact CE2-CE2 3.96Å; F131-Y140 HydrophobicContact CE2-CE2 3.96Å; F131-Y140 AromaticContact CE2-CG 3.39Å; F131-Y140 HydrophobicContact CE2-CG 3.39Å; F131-Y140 AromaticContact CE2-CZ 3.96Å; F131-Y140 HydrophobicContact CZ-CD1 4.08Å; F131-Y140 AromaticContact CZ-CD2 3.92Å; F131-Y140 HydrophobicContact CZ-CD2 3.92Å; F131-Y140 AromaticContact CZ-CG 3.65Å; F131-Y140 HydrophobicContact CZ-CG 3.65Å; Q133-Y140 VanDerWaalsContact CA-OH 3.28Å; Q133-Y140 WeakPolarHBondContact CA-OH 3.43Å; Q133-Y140 WeakPolarHBondContact CB-OH 3.39Å; V134-Y140 HydrophobicContact CG2-CE1 4.1Å; V134-Y140 PolarHBondContact N-OH 2.81Å; A137-Y140 HydrophobicContact CB-CE1 4.08Å; A137-Y140 HydrophobicContact CB-CE2 4.14Å; Y140-P156 CarbonylContact O-C 3.53Å; Y140-P156 WeakPolarHBondContact O-CA 3.46Å; Y140-A157 PolarHBondContact N-O 2.03Å; Y140-A157 PolarHBondContact O-N 2.89Å; Y140-V177 HydrophobicContact CD1-CG2 4.13Å; Y140-M178 CarbonylContact C-O 3.59Å; Y140-M178 VanDerWaalsContact CA-O 3.26Å; Y140-M178 WeakPolarHBondContact CA-O 3.23Å
141I94.8Very high88.9Confident14 Ų1451.5 Ų51.57%0.07230%0.303CS..EExtended strand (participates in β ladder)trans-119.9119.8169.5-66.7166.7000107.2E154 V177 M178 V180 R185I141-E154 HydrophobicContact CG2-CB 3.95Å; I141-E154 HydrophobicContact CG2-CG 3.72Å; I141-V177 WeakPolarHBondContact O-CA 3.36Å; I141-M178 HydrophobicContact CB-CE 4.35Å; I141-M178 HydrophobicContact CG2-CE 3.93Å; I141-M178 PolarHBondContact N-O 3.48Å; I141-M178 PolarHBondContact O-N 2.76Å; I141-V180 HydrophobicContact CD1-CG2 3.79Å; I141-V180 HydrophobicContact CG1-CG2 3.89Å; I141-R185 HydrophobicContact CD1-CG 4.46Å
142L95.3Very high88.6Confident2 Ų255.9 Ų55.91%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-91.4127171.7-65.983.6000107.8V129 F131 E154 T155 A157 G162 V164V129-L142 HydrophobicContact CB-CD2 3.69Å; V129-L142 HydrophobicContact CG2-CD2 3.84Å; F131-L142 HydrophobicContact CE1-CD1 4.19Å; F131-L142 HydrophobicContact CE1-CD2 4.41Å; F131-L142 HydrophobicContact CE1-CG 4.39Å; L142-E154 CarbonylContact O-C 3.57Å; L142-E154 VanDerWaalsContact O-CA 3.28Å; L142-E154 WeakPolarHBondContact O-CA 3.19Å; L142-T155 PolarHBondContact N-O 3.01Å; L142-T155 PolarHBondContact O-N 2.9Å; L142-A157 HydrophobicContact CD1-CB 3.39Å; L142-G162 VanDerWaalsContact CD2-C 3.44Å; L142-G162 WeakPolarHBondContact CD2-O 3.5Å; L142-V164 HydrophobicContact CB-CG2 3.49Å; L142-V164 VanDerWaalsContact CB-CG2 3.49Å; L142-V164 HydrophobicContact CD2-CG2 4.17Å
143R94.2Very high88.5Confident57 Ų5757.5 Ų57.522%0.21532%0.322CS..EExtended strand (participates in β ladder)trans-112.7122.3174.3174.3178.5171136.6-7.3108.8E145 F152 F153 E154 L175 S176 M178R143-E145 IonicContact CZ-OE1 2.81Å; R143-E145 IonicContact CZ-OE2 2.68Å; R143-E145 IonicContact NE-OE1 3.81Å; R143-E145 IonicContact NE-OE2 2.86Å; R143-E145 PolarHBondContact NE-OE2 3.48Å; R143-E145 IonicContact NH2-OE1 2.7Å; R143-E145 PolarHBondContact NH2-OE1 2.71Å; R143-E145 IonicContact NH2-OE2 3.2Å; R143-E145 PolarHBondContact NH2-OE2 2.91Å; R143-F152 HydrophobicContact CG-CB 4.09Å; R143-F152 HydrophobicContact CG-CD2 4.05Å; R143-F152 HydrophobicContact CG-CG 4.31Å; R143-F153 CarbonylContact C-O 3.52Å; R143-F153 VanDerWaalsContact CA-O 3.32Å; R143-F153 WeakPolarHBondContact CA-O 3.19Å; R143-E154 HydrophobicContact CB-CG 3.95Å; R143-E154 HydrophobicContact CG-CG 4.26Å; R143-L175 CarbonylContact O-C 3.56Å; R143-L175 VanDerWaalsContact O-CA 3.31Å; R143-L175 WeakPolarHBondContact O-CA 3.24Å; R143-S176 PolarHBondContact N-O 3.13Å; R143-S176 PolarHBondContact O-N 2.81Å; R143-M178 HydrophobicContact CB-CE 4.17Å
144A94Very high88.6Confident0 Ų055.3 Ų55.30%031%0.312CS..EExtended strand (participates in β ladder)trans-108.4118.5167.500000108.7F152 F153 V164 L167 Y173 L175A144-F152 CarbonylContact O-C 3.56Å; A144-F152 VanDerWaalsContact O-CA 3.27Å; A144-F152 WeakPolarHBondContact O-CA 3.12Å; A144-F153 PolarHBondContact N-O 3.07Å; A144-F153 PolarHBondContact O-N 2.88Å; A144-V164 HydrophobicContact CB-CB 4.23Å; A144-V164 HydrophobicContact CB-CG1 3.86Å; A144-V164 HydrophobicContact CB-CG2 4.26Å; A144-L167 HydrophobicContact CB-CD2 4.05Å; A144-Y173 HydrophobicContact CB-CD1 4.2Å; A144-Y173 HydrophobicContact CB-CG 4.36Å; A144-L175 HydrophobicContact CB-CD2 3.93Å; A144-L175 HydrophobicContact CB-CG 4.24Å
145E92.2Very high88.6Confident47 Ų4755.5 Ų55.522%0.2231%0.314CS..EExtended strand (participates in β ladder)trans-112.5139-175.3-176.6151.1-144.800109.9R143 F152 Y173 T174R143-E145 IonicContact CZ-OE1 2.81Å; R143-E145 IonicContact CZ-OE2 2.68Å; R143-E145 IonicContact NE-OE1 3.81Å; R143-E145 IonicContact NE-OE2 2.86Å; R143-E145 PolarHBondContact NE-OE2 3.48Å; R143-E145 IonicContact NH2-OE1 2.7Å; R143-E145 PolarHBondContact NH2-OE1 2.71Å; R143-E145 IonicContact NH2-OE2 3.2Å; R143-E145 PolarHBondContact NH2-OE2 2.91Å; E145-F152 HydrophobicContact CB-CB 3.96Å; E145-F152 HydrophobicContact CG-CB 4.14Å; E145-Y173 CarbonylContact O-C 3.55Å; E145-Y173 WeakPolarHBondContact O-CA 3.36Å; E145-T174 PolarHBondContact N-O 2.87Å; E145-T174 PolarHBondContact O-N 3.47Å
146S88.4Confident88.9Confident14 Ų1455.3 Ų55.310%0.09831%0.31CS..EExtended strand (participates in β ladder)trans-54.6145.1174.5176.40000109.9T148 G149 F151S146-T148 PolarHBondContact O-N 2.9Å; S146-T148 PolarHBondContact OG-N 2.81Å; S146-T148 PolarHBondContact OG-OG1 2.75Å; S146-G149 PolarHBondContact O-N 3Å; S146-F151 PolarHBondContact N-O 2.87Å
147K77.8Confident89.3Confident111 Ų11154.7 Ų54.748%0.48330%0.302SS..THydrogen-bonded Turntrans-55.6-22.4174.3-169.4158.6-171.7150.10113.9D172 E193K147-D172 HydrophobicContact CB-CB 4.31Å; K147-D172 HydrophobicContact CD-CB 3.86Å; K147-D172 PolarHBondContact N-O 3.13Å; K147-E193 WeakPolarHBondContact CE-OE1 3.46Å; K147-E193 VanDerWaalsContact NZ-CD 3.33Å; K147-E193 IonicContact NZ-OE1 3.25Å; K147-E193 PolarHBondContact NZ-OE1 2.75Å; K147-E193 IonicContact NZ-OE2 3.73Å; K147-E193 PolarHBondContact NZ-OE2 3.11Å
148T75.9Confident89.3Confident96 Ų9657.4 Ų57.459%0.58932%0.324SS*.THydrogen-bonded Turntrans-85.2-13.9174.155.20000114.6S146 D150S146-T148 PolarHBondContact O-N 2.9Å; S146-T148 PolarHBondContact OG-N 2.81Å; S146-T148 PolarHBondContact OG-OG1 2.75Å; T148-D150 VanDerWaalsContact C-N 3.29Å; T148-D150 WeakPolarHBondContact CB-OD2 3.35Å; T148-D150 PolarHBondContact O-N 3.41Å; T148-D150 PolarHBondContact OG1-OD2 3.21Å
149G76Confident89.4Confident43 Ų4358.2 Ų58.244%0.44332%0.321SS..SBendtrans78.22.8-175.400000115.4S146 F151S146-G149 PolarHBondContact O-N 3Å; G149-F151 PolarHBondContact O-N 3.49Å
150D79.2Confident89.3Confident130 Ų13057.5 Ų57.570%0.69532%0.316SS*.SBendtrans-69.7-29.1-173.2-62.1-49.7000114T148T148-D150 VanDerWaalsContact C-N 3.29Å; T148-D150 WeakPolarHBondContact CB-OD2 3.35Å; T148-D150 PolarHBondContact O-N 3.41Å; T148-D150 PolarHBondContact OG1-OD2 3.21Å
151F84.4Confident89.2Confident73 Ų7360.7 Ų60.732%0.3234%0.337SS..  trans-154.2157.6-179.762.3-90000111.6S146 G149 F153 Y173S146-F151 PolarHBondContact N-O 2.87Å; G149-F151 PolarHBondContact O-N 3.49Å; F151-F153 HydrophobicContact CD2-CD2 4.46Å; F151-F153 AromaticContact CD2-CE2 3.89Å; F151-F153 HydrophobicContact CD2-CE2 3.89Å; F151-F153 HydrophobicContact CD2-CZ 4.29Å; F151-F153 HydrophobicContact CE2-CD2 4.5Å; F151-F153 AromaticContact CE2-CE2 3.69Å; F151-F153 HydrophobicContact CE2-CE2 3.69Å; F151-F153 HydrophobicContact CE2-CZ 4.23Å; F151-Y173 HydrophobicContact CE2-CE1 4.12Å
152F88.3Confident89.2Confident96 Ų9660.2 Ų60.242%0.42134%0.336SS..EExtended strand (participates in β ladder)trans-140.5154.9175.868.5-90.7000111.8R143 A144 E145 E154R143-F152 HydrophobicContact CG-CB 4.09Å; R143-F152 HydrophobicContact CG-CD2 4.05Å; R143-F152 HydrophobicContact CG-CG 4.31Å; A144-F152 CarbonylContact O-C 3.56Å; A144-F152 VanDerWaalsContact O-CA 3.27Å; A144-F152 WeakPolarHBondContact O-CA 3.12Å; E145-F152 HydrophobicContact CB-CB 3.96Å; E145-F152 HydrophobicContact CG-CB 4.14Å; F152-E154 HydrophobicContact CD2-CG 3.95Å; F152-E154 HydrophobicContact CE2-CG 3.92Å
153F91Very high89.1Confident68 Ų6862.8 Ų62.830%0.29835%0.351SS..EExtended strand (participates in β ladder)trans-113.7135.1171.1-60.2-80.4000109.3R143 A144 F151 V164 G166 L167 Y173R143-F153 CarbonylContact C-O 3.52Å; R143-F153 VanDerWaalsContact CA-O 3.32Å; R143-F153 WeakPolarHBondContact CA-O 3.19Å; A144-F153 PolarHBondContact N-O 3.07Å; A144-F153 PolarHBondContact O-N 2.88Å; F151-F153 HydrophobicContact CD2-CD2 4.46Å; F151-F153 AromaticContact CD2-CE2 3.89Å; F151-F153 HydrophobicContact CD2-CE2 3.89Å; F151-F153 HydrophobicContact CD2-CZ 4.29Å; F151-F153 HydrophobicContact CE2-CD2 4.5Å; F151-F153 AromaticContact CE2-CE2 3.69Å; F151-F153 HydrophobicContact CE2-CE2 3.69Å; F151-F153 HydrophobicContact CE2-CZ 4.23Å; F153-V164 HydrophobicContact CB-CG1 3.95Å; F153-G166 WeakPolarHBondContact CZ-O 3.28Å; F153-L167 HydrophobicContact CB-CD2 4.21Å; F153-L167 HydrophobicContact CD2-CD2 3.35Å; F153-L167 HydrophobicContact CE2-CD2 3.89Å; F153-L167 HydrophobicContact CG-CD2 4Å; F153-Y173 HydrophobicContact CD2-CE1 4.27Å; F153-Y173 HydrophobicContact CE2-CE1 4.2Å
154E92.6Very high89.1Confident75 Ų7560 Ų6035%0.3534%0.341SS..EExtended strand (participates in β ladder)trans-114.7132.1173-84.6179.6-171.800110.6I141 L142 R143 F152I141-E154 HydrophobicContact CG2-CB 3.95Å; I141-E154 HydrophobicContact CG2-CG 3.72Å; L142-E154 CarbonylContact O-C 3.57Å; L142-E154 VanDerWaalsContact O-CA 3.28Å; L142-E154 WeakPolarHBondContact O-CA 3.19Å; R143-E154 HydrophobicContact CB-CG 3.95Å; R143-E154 HydrophobicContact CG-CG 4.26Å; F152-E154 HydrophobicContact CD2-CG 3.95Å; F152-E154 HydrophobicContact CE2-CG 3.92Å
155T92.8Very high89Confident32 Ų3263.9 Ų63.920%0.19637%0.365CS..EExtended strand (participates in β ladder)trans-127.2125.9173.3-57.90000110L142 T163L142-T155 PolarHBondContact N-O 3.01Å; L142-T155 PolarHBondContact O-N 2.9Å; T155-T163 VanDerWaalsContact CG2-O 3.32Å; T155-T163 WeakPolarHBondContact CG2-O 3.49Å
156P93.3Very high88.8Confident104 Ų10464 Ų6468%0.67538%0.378SS*.EExtended strand (participates in β ladder)trans-75.3135.7174.530.9-33.4000110.7Y140Y140-P156 CarbonylContact O-C 3.53Å; Y140-P156 WeakPolarHBondContact O-CA 3.46Å
157A92.9Very high89Confident15 Ų1563.7 Ų63.712%0.12438%0.375CS..EExtended strand (participates in β ladder)trans-123.4142.617100000110.5Y140 L142Y140-A157 PolarHBondContact N-O 2.03Å; Y140-A157 PolarHBondContact O-N 2.89Å; L142-A157 HydrophobicContact CD1-CB 3.39Å
158A91.6Very high89.7Confident83 Ų8363.7 Ų63.769%0.68638%0.377SS*.SBendtrans-74.9-30.8175.100000112.2
159Q92.9Very high90.4Very high120 Ų12061.9 Ų61.956%0.56137%0.367SS*.SBendtrans-154.6175-172.858.6178.677.300110.6P161Q159-P161 CarbonylContact O-C 3.6Å; Q159-P161 VanDerWaalsContact O-O 3.13Å
160S92.6Very high91.2Very high22 Ų2261.9 Ų61.915%0.15435%0.354CS..SBendtrans-87.7141.2169.2178.50000110.5F131F131-S160 PolarHBondContact N-OG 3.21Å; F131-S160 WeakPolarHBondContact O-CB 3.04Å; F131-S160 PolarHBondContact O-OG 2.89Å
161P94.1Very high91.7Very high73 Ų7357.2 Ų57.247%0.47433%0.33SS..SBendcis-67.9155.5-10.526.5-33.5000113.4T128 V129 E130 Q159T128-P161 HydrophobicContact CG2-CB 3.75Å; V129-P161 WeakPolarHBondContact O-CA 3.17Å; E130-P161 HydrophobicContact CG-CB 3.71Å; E130-P161 HydrophobicContact CG-CG 4.49Å; Q159-P161 CarbonylContact O-C 3.6Å; Q159-P161 VanDerWaalsContact O-O 3.13Å
162G92.8Very high92Very high4 Ų455.7 Ų55.74%0.04133%0.325CS..EExtended strand (participates in β ladder)trans-117.7157.3164.200000111.3T128 V129 L142T128-G162 CarbonylContact C-O 3.57Å; T128-G162 WeakPolarHBondContact CA-O 3.32Å; V129-G162 PolarHBondContact N-O 3.21Å; V129-G162 PolarHBondContact O-N 2.01Å; L142-G162 VanDerWaalsContact CD2-C 3.44Å; L142-G162 WeakPolarHBondContact CD2-O 3.5Å
163T94.4Very high92.3Very high55 Ų5551.2 Ų51.234%0.33731%0.306SS..EExtended strand (participates in β ladder)trans-125.9129.2179.8-55.90000109.9I127 T128 T155 V165I127-T163 CarbonylContact O-C 3.59Å; I127-T163 WeakPolarHBondContact O-CA 3.47Å; T128-T163 PolarHBondContact OG1-OG1 3.48Å; T155-T163 VanDerWaalsContact CG2-O 3.32Å; T155-T163 WeakPolarHBondContact CG2-O 3.49Å; T163-V165 HydrophobicContact CG2-CG1 4.09Å
164V93.9Very high92.4Very high0 Ų049.7 Ų49.70%030%0.302CS..EExtended strand (participates in β ladder)trans-91.1132169.6-1710000108.3S126 I127 L142 A144 F153 L167S126-V164 WeakPolarHBondContact CA-O 3.39Å; S126-V164 WeakPolarHBondContact CB-O 3.41Å; I127-V164 PolarHBondContact N-O 2.85Å; I127-V164 PolarHBondContact O-N 2.91Å; L142-V164 HydrophobicContact CB-CG2 3.49Å; L142-V164 VanDerWaalsContact CB-CG2 3.49Å; L142-V164 HydrophobicContact CD2-CG2 4.17Å; A144-V164 HydrophobicContact CB-CB 4.23Å; A144-V164 HydrophobicContact CB-CG1 3.86Å; A144-V164 HydrophobicContact CB-CG2 4.26Å; F153-V164 HydrophobicContact CB-CG1 3.95Å; V164-L167 HydrophobicContact CG1-CD2 3.97Å
165V91.4Very high92.5Very high81 Ų8146.2 Ų46.249%0.49129%0.286SS..EExtended strand (participates in β ladder)trans-123161.3-173.7-61.50000111.9D125 T163D125-V165 CarbonylContact O-C 3.6Å; T163-V165 HydrophobicContact CG2-CG1 4.09Å
166G89.3Confident92.6Very high48 Ų4845.3 Ų45.350%0.49528%0.281SS..SBendtrans81.819.7-179.200000114D125 F153D125-G166 PolarHBondContact O-N 2.81Å; F153-G166 WeakPolarHBondContact CZ-O 3.28Å
167L92.4Very high92.7Very high9 Ų940.3 Ų40.35%0.04725%0.249CC..PPolyproline II helixtrans-75.4165.1175.7-53.3-176.4000111.1D125 I127 A144 F153 V164 Y173 T196D125-L167 WeakPolarHBondContact CA-O 3.34Å; D125-L167 WeakPolarHBondContact O-CB 2.91Å; D125-L167 PolarHBondContact O-N 2.81Å; I127-L167 HydrophobicContact CB-CD1 4Å; I127-L167 HydrophobicContact CD1-CD1 3.71Å; I127-L167 HydrophobicContact CG1-CD1 3.66Å; A144-L167 HydrophobicContact CB-CD2 4.05Å; F153-L167 HydrophobicContact CB-CD2 4.21Å; F153-L167 HydrophobicContact CD2-CD2 3.35Å; F153-L167 HydrophobicContact CE2-CD2 3.89Å; F153-L167 HydrophobicContact CG-CD2 4Å; V164-L167 HydrophobicContact CG1-CD2 3.97Å; L167-Y173 HydrophobicContact CB-CD2 4.47Å; L167-Y173 HydrophobicContact CB-CE2 3.71Å; L167-Y173 HydrophobicContact CD1-CD2 4.05Å; L167-Y173 HydrophobicContact CD1-CE2 4.11Å; L167-Y173 HydrophobicContact CD2-CD1 4.37Å; L167-Y173 HydrophobicContact CD2-CE1 4.04Å; L167-Y173 HydrophobicContact CD2-CE2 4.2Å; L167-Y173 HydrophobicContact CG-CE2 4.22Å; L167-T196 HydrophobicContact CB-CG2 3.78Å; L167-T196 HydrophobicContact CD1-CG2 3.85Å; L167-T196 HydrophobicContact CG-CG2 4.47Å
168Q91.3Very high92.7Very high110 Ų11040.3 Ų40.351%0.51425%0.246SC..PPolyproline II helixtrans-86.8144.8173.9-68.8-178.8-14.700110.8S124 T171 Y173 T196S124-Q168 CarbonylContact O-C 3.47Å; Q168-T171 WeakPolarHBondContact CB-OG1 3.41Å; Q168-T171 WeakPolarHBondContact O-CB 3.32Å; Q168-T171 PolarHBondContact O-OG1 2.86Å; Q168-Y173 PolarHBondContact N-OH 3.06Å; Q168-T196 WeakPolarHBondContact O-CB 3.03Å; Q168-T196 PolarHBondContact O-OG1 3.19Å
169P92.2Very high92.8Very high59 Ų5936.4 Ų36.438%0.38321%0.214SC..THydrogen-bonded Turntrans-56149173.4-28.636.9000114.1S124 T171 V199S124-P169 VanDerWaalsContact O-CA 3.24Å; S124-P169 WeakPolarHBondContact O-CA 3.21Å; P169-T171 PolarHBondContact O-N 3.39Å; P169-T171 PolarHBondContact O-OG1 2.03Å; P169-V199 HydrophobicContact CB-CG1 3.69Å; P169-V199 HydrophobicContact CG-CG1 3.4Å
170Y91.4Very high92.8Very high42 Ų4231.7 Ų31.717%0.16519%0.193CC..THydrogen-bonded Turntrans45.433.5176.2-158.7-104.5000115.6R195 T196 V197 V198 H222 D267Y170-R195 PolarHBondContact OH-NH1 2.9Å; Y170-R195 VanDerWaalsContact OH-NH1 3.15Å; Y170-T196 WeakPolarHBondContact CA-O 3.23Å; Y170-T196 PolarHBondContact N-OG1 2.94Å; Y170-V197 PolarHBondContact N-O 2.89Å; Y170-V197 VanDerWaalsContact N-O 3.12Å; Y170-V198 HydrophobicContact CD2-CG1 3.58Å; Y170-V198 HydrophobicContact CE2-CG1 4.25Å; Y170-V198 HydrophobicContact CG-CG1 4.09Å; Y170-H222 HydrophobicContact CD1-CB 3.54Å; Y170-H222 AromaticContact CD1-CD2 3.14Å; Y170-H222 WeakPolarHBondContact CD1-CD2 3.25Å; Y170-H222 AromaticContact CD1-CG 3.28Å; Y170-H222 AromaticContact CD1-NE2 3.81Å; Y170-H222 HydrophobicContact CD2-CB 4.24Å; Y170-H222 HydrophobicContact CE1-CB 3.49Å; Y170-H222 VanDerWaalsContact CE1-CB 3.49Å; Y170-H222 AromaticContact CE1-CD2 3.76Å; Y170-H222 AromaticContact CE1-CG 3.39Å; Y170-H222 AromaticContact CE1-ND1 3.82Å; Y170-H222 HydrophobicContact CE2-CB 4.2Å; Y170-H222 HydrophobicContact CG-CB 3.9Å; Y170-H222 AromaticContact CG-CD2 3.8Å; Y170-D267 HydrophobicContact CD2-CB 4.32Å; Y170-D267 HydrophobicContact CE2-CB 3.61Å
171T90.8Very high92.8Very high33 Ų3331.3 Ų31.320%0.20219%0.189CC..  trans-112.6133.6-172.4-62.10000110.4Q168 P169 Y173 R195 T196Q168-T171 WeakPolarHBondContact CB-OG1 3.41Å; Q168-T171 WeakPolarHBondContact O-CB 3.32Å; Q168-T171 PolarHBondContact O-OG1 2.86Å; P169-T171 PolarHBondContact O-N 3.39Å; P169-T171 PolarHBondContact O-OG1 2.03Å; T171-Y173 HydrophobicContact CG2-CD2 4.27Å; T171-Y173 HydrophobicContact CG2-CE1 4.46Å; T171-Y173 HydrophobicContact CG2-CE2 3.62Å; T171-Y173 VanDerWaalsContact O-CD2 3.3Å; T171-Y173 WeakPolarHBondContact O-CD2 3.49Å; T171-R195 WeakPolarHBondContact O-CA 3.4Å; T171-R195 WeakPolarHBondContact O-CG 3.35Å; T171-T196 PolarHBondContact N-OG1 3.42Å; T171-T196 PolarHBondContact O-N 2.96Å; T171-T196 VanDerWaalsContact O-N 3.14Å; T171-T196 PolarHBondContact O-OG1 2.84Å
172D91.1Very high92.4Very high41 Ų4133.2 Ų33.222%0.21921%0.205CC..EExtended strand (participates in β ladder)trans-77.8124.7177.4-75.8-38.5000110.8K147 R195K147-D172 HydrophobicContact CB-CB 4.31Å; K147-D172 HydrophobicContact CD-CB 3.86Å; K147-D172 PolarHBondContact N-O 3.13Å; D172-R195 WeakPolarHBondContact OD1-CB 2.97Å; D172-R195 WeakPolarHBondContact OD1-CG 3.35Å; D172-R195 IonicContact OD1-CZ 2.96Å; D172-R195 IonicContact OD1-NE 3.85Å; D172-R195 PolarHBondContact OD1-NE 3.21Å; D172-R195 IonicContact OD1-NH2 3.96Å; D172-R195 PolarHBondContact OD1-NH2 2.86Å; D172-R195 IonicContact OD2-CZ 2.94Å; D172-R195 IonicContact OD2-NE 2.76Å; D172-R195 PolarHBondContact OD2-NE 2.77Å; D172-R195 IonicContact OD2-NH2 2.72Å; D172-R195 PolarHBondContact OD2-NH2 2.86Å
173Y93.5Very high91.9Very high1 Ų133.6 Ų33.60%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-119.7141.5176.1-70.2-83.2000111.9I127 A144 E145 F151 F153 L167 Q168 T171 L175 E193 A194 T196I127-Y173 HydrophobicContact CD1-CD2 3.89Å; I127-Y173 HydrophobicContact CD1-CG 4.3Å; A144-Y173 HydrophobicContact CB-CD1 4.2Å; A144-Y173 HydrophobicContact CB-CG 4.36Å; E145-Y173 CarbonylContact O-C 3.55Å; E145-Y173 WeakPolarHBondContact O-CA 3.36Å; F151-Y173 HydrophobicContact CE2-CE1 4.12Å; F153-Y173 HydrophobicContact CD2-CE1 4.27Å; F153-Y173 HydrophobicContact CE2-CE1 4.2Å; L167-Y173 HydrophobicContact CB-CD2 4.47Å; L167-Y173 HydrophobicContact CB-CE2 3.71Å; L167-Y173 HydrophobicContact CD1-CD2 4.05Å; L167-Y173 HydrophobicContact CD1-CE2 4.11Å; L167-Y173 HydrophobicContact CD2-CD1 4.37Å; L167-Y173 HydrophobicContact CD2-CE1 4.04Å; L167-Y173 HydrophobicContact CD2-CE2 4.2Å; L167-Y173 HydrophobicContact CG-CE2 4.22Å; Q168-Y173 PolarHBondContact N-OH 3.06Å; T171-Y173 HydrophobicContact CG2-CD2 4.27Å; T171-Y173 HydrophobicContact CG2-CE1 4.46Å; T171-Y173 HydrophobicContact CG2-CE2 3.62Å; T171-Y173 VanDerWaalsContact O-CD2 3.3Å; T171-Y173 WeakPolarHBondContact O-CD2 3.49Å; Y173-L175 WeakPolarHBondContact O-CD1 3.01Å; Y173-E193 WeakPolarHBondContact O-CA 3.41Å; Y173-A194 PolarHBondContact N-O 3.03Å; Y173-A194 PolarHBondContact O-N 2.89Å; Y173-T196 HydrophobicContact CD2-CG2 4.4Å; Y173-T196 HydrophobicContact CE2-CG2 4.22Å
174T93.9Very high91.5Very high37 Ų3732 Ų3223%0.22720%0.203CC..EExtended strand (participates in β ladder)trans-91.8113.6170-55.60000108.2E145 P191E145-T174 PolarHBondContact N-O 2.87Å; E145-T174 PolarHBondContact O-N 3.47Å; T174-P191 HydrophobicContact CG2-CB 3.54Å; T174-P191 HydrophobicContact CG2-CG 4.36Å
175L94.7Very high91.3Very high1 Ų138.4 Ų38.41%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-105.3135.3-173.9-58.7108.1000111.8I116 A119 I127 V129 R143 A144 Y173 P191 I192 A194I116-L175 WeakPolarHBondContact CD1-O 3.19Å; A119-L175 HydrophobicContact CB-CD1 4.32Å; I127-L175 HydrophobicContact CB-CD2 3.95Å; I127-L175 HydrophobicContact CD1-CD1 4.16Å; I127-L175 HydrophobicContact CD1-CD2 4.29Å; I127-L175 HydrophobicContact CG2-CD1 4.1Å; I127-L175 HydrophobicContact CG2-CD2 3.51Å; I127-L175 HydrophobicContact CG2-CG 4.48Å; V129-L175 HydrophobicContact CG2-CB 4.36Å; V129-L175 HydrophobicContact CG2-CD2 3.62Å; R143-L175 CarbonylContact O-C 3.56Å; R143-L175 VanDerWaalsContact O-CA 3.31Å; R143-L175 WeakPolarHBondContact O-CA 3.24Å; A144-L175 HydrophobicContact CB-CD2 3.93Å; A144-L175 HydrophobicContact CB-CG 4.24Å; Y173-L175 WeakPolarHBondContact O-CD1 3.01Å; L175-P191 CarbonylContact O-C 3.57Å; L175-P191 VanDerWaalsContact O-CA 3.22Å; L175-P191 WeakPolarHBondContact O-CA 3.26Å; L175-I192 HydrophobicContact CB-CG2 4.12Å; L175-I192 PolarHBondContact N-O 3.33Å; L175-I192 PolarHBondContact O-N 3.04Å; L175-A194 HydrophobicContact CD1-CB 3.66Å
176S94.3Very high91.3Very high13 Ų1334.8 Ų34.89%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-137153.9173600000110.8R143 S189R143-S176 PolarHBondContact N-O 3.13Å; R143-S176 PolarHBondContact O-N 2.81Å; S176-S189 WeakPolarHBondContact CA-OG 3.46Å
177V95.4Very high91.4Very high0 Ų037.2 Ų37.20%020%0.204CC..EExtended strand (participates in β ladder)trans-123.1138.6177.559.50000110.6P114 I116 F131 Y140 I141 S189P114-V177 HydrophobicContact CB-CG1 3.95Å; P114-V177 HydrophobicContact CG-CB 4.45Å; P114-V177 HydrophobicContact CG-CG1 3.87Å; P114-V177 HydrophobicContact CG-CG2 4.03Å; I116-V177 HydrophobicContact CD1-CG1 4.23Å; I116-V177 HydrophobicContact CG1-CG1 3.63Å; F131-V177 HydrophobicContact CB-CG1 4.05Å; F131-V177 HydrophobicContact CD1-CG2 4.11Å; F131-V177 HydrophobicContact CD2-CG2 4.17Å; F131-V177 HydrophobicContact CE1-CG2 4.21Å; F131-V177 HydrophobicContact CE2-CG2 4.29Å; F131-V177 HydrophobicContact CG-CG1 4.26Å; F131-V177 HydrophobicContact CG-CG2 4.09Å; F131-V177 HydrophobicContact CZ-CG2 4.3Å; Y140-V177 HydrophobicContact CD1-CG2 4.13Å; I141-V177 WeakPolarHBondContact O-CA 3.36Å; V177-S189 PolarHBondContact N-OG 3.35Å; V177-S189 WeakPolarHBondContact O-CB 3.46Å; V177-S189 PolarHBondContact O-N 2.61Å
178M93.9Very high91.3Very high15 Ų1540 Ų407%0.07422%0.222CC..EExtended strand (participates in β ladder)trans-119.1134.1175.4-68.2166.5-80.400109.2Y140 I141 R143 S186 P188Y140-M178 CarbonylContact C-O 3.59Å; Y140-M178 VanDerWaalsContact CA-O 3.26Å; Y140-M178 WeakPolarHBondContact CA-O 3.23Å; I141-M178 HydrophobicContact CB-CE 4.35Å; I141-M178 HydrophobicContact CG2-CE 3.93Å; I141-M178 PolarHBondContact N-O 3.48Å; I141-M178 PolarHBondContact O-N 2.76Å; R143-M178 HydrophobicContact CB-CE 4.17Å; M178-S186 WeakPolarHBondContact CA-OG 3.33Å; M178-P188 HydrophobicContact CG-CB 4.24Å; M178-P188 HydrophobicContact CG-CG 4.16Å; M178-P188 HydrophobicContact SD-CG 4.08Å
179S93.3Very high91.4Very high0 Ų035.1 Ų35.10%020%0.201CC..EExtended strand (participates in β ladder)trans-82.8150.2170.564.10000110.4P111 D112 R185 S186P111-S179 WeakPolarHBondContact CB-OG 3.39Å; P111-S179 PolarHBondContact O-OG 2.93Å; D112-S179 WeakPolarHBondContact O-CB 3.41Å; D112-S179 PolarHBondContact O-OG 2.98Å; S179-R185 CarbonylContact O-C 3.59Å; S179-R185 WeakPolarHBondContact O-CA 3.46Å; S179-S186 PolarHBondContact N-OG 3.38Å; S179-S186 PolarHBondContact O-N 3.02Å; S179-S186 WeakPolarHBondContact OG-CB 3.07Å; S179-S186 PolarHBondContact OG-OG 2.84Å
180V93.1Very high91.4Very high22 Ų2242.5 Ų42.513%0.13322%0.222CC..EExtended strand (participates in β ladder)trans-135.2134.6-175.1-168.10000110.2A137 T138 S139 I141 G184 R185A137-V180 CarbonylContact C-O 3.55Å; A137-V180 WeakPolarHBondContact CA-O 3.46Å; T138-V180 PolarHBondContact N-O 2.6Å; T138-V180 PolarHBondContact OG1-O 3.26Å; T138-V180 VanDerWaalsContact OG1-O 3.11Å; S139-V180 PolarHBondContact N-O 2.82Å; S139-V180 WeakPolarHBondContact O-CB 3.39Å; S139-V180 PolarHBondContact O-N 3.19Å; I141-V180 HydrophobicContact CD1-CG2 3.79Å; I141-V180 HydrophobicContact CG1-CG2 3.89Å; V180-G184 WeakPolarHBondContact CA-O 3.35Å; V180-R185 HydrophobicContact CG1-CG 4.39Å; V180-R185 HydrophobicContact CG2-CG 4.16Å
181N91.1Very high91.4Very high13 Ų1344.4 Ų44.47%0.0724%0.24CC..  trans-136.1-168.6166.369.84.3000110.3N83 T109 P111 G136 G183 G184N83-N181 PolarHBondContact OD1-ND2 2.8Å; T109-N181 PolarHBondContact O-ND2 3.46Å; P111-N181 HydrophobicContact CG-CB 3.76Å; G136-N181 WeakPolarHBondContact O-CB 3.42Å; N181-G183 PolarHBondContact O-N 3.46Å; N181-G183 WeakPolarHBondContact OD1-CA 3.47Å; N181-G183 PolarHBondContact OD1-N 3.08Å; N181-G184 PolarHBondContact N-O 3.17Å; N181-G184 VanDerWaalsContact N-O 3.1Å; N181-G184 PolarHBondContact O-N 3.44Å; N181-G184 PolarHBondContact OD1-N 3.3Å
182S86.9Confident91.5Very high114 Ų11445.7 Ų45.780%0.79725%0.245SC*.SBendtrans-63.3-20.9175.552.90000114.6
183G81.8Confident91.6Very high12 Ų1249 Ų4912%0.12426%0.259CS..SBendtrans-82.3-29.917900000114.1V32 T108 N181V32-G183 VanDerWaalsContact CB-O 3.27Å; V32-G183 WeakPolarHBondContact CB-O 3.21Å; T108-G183 WeakPolarHBondContact O-CA 2.95Å; N181-G183 PolarHBondContact O-N 3.46Å; N181-G183 WeakPolarHBondContact OD1-CA 3.47Å; N181-G183 PolarHBondContact OD1-N 3.08Å
184G85.6Confident91.5Very high22 Ų2249.6 Ų49.623%0.22726%0.264CS..  trans154.1-153.1177.900000113.6V180 N181V180-G184 WeakPolarHBondContact CA-O 3.35Å; N181-G184 PolarHBondContact N-O 3.17Å; N181-G184 VanDerWaalsContact N-O 3.1Å; N181-G184 PolarHBondContact O-N 3.44Å; N181-G184 PolarHBondContact OD1-N 3.3Å
185R90.5Very high91.4Very high134 Ų13450.5 Ų50.551%0.50626%0.263SS..BIsolated β-bridgetrans-109.2142.5178.2-60.8178.3174.6154.2-11.3109.7A110 I141 S179 V180A110-R185 WeakPolarHBondContact CB-O 3.5Å; I141-R185 HydrophobicContact CD1-CG 4.46Å; S179-R185 CarbonylContact O-C 3.59Å; S179-R185 WeakPolarHBondContact O-CA 3.46Å; V180-R185 HydrophobicContact CG1-CG 4.39Å; V180-R185 HydrophobicContact CG2-CG 4.16Å
186S91.3Very high91.3Very high5 Ų550.4 Ų50.44%0.03526%0.263CS..PPolyproline II helixtrans-64.1162.8165.474.40000110.2M178 S179M178-S186 WeakPolarHBondContact CA-OG 3.33Å; S179-S186 PolarHBondContact N-OG 3.38Å; S179-S186 PolarHBondContact O-N 3.02Å; S179-S186 WeakPolarHBondContact OG-CB 3.07Å; S179-S186 PolarHBondContact OG-OG 2.84Å
187Q90.1Very high91.3Very high98 Ų9850 Ų5046%0.45826%0.26SS..PPolyproline II helixtrans-56.8153.9156.159.4-169.682.800110.1V113V113-Q187 HydrophobicContact CG2-CG 3.31Å
188P91.3Very high91.3Very high67 Ų6750 Ų5044%0.43526%0.26SS..PPolyproline II helixtrans-59.3149.4175.3-22.533.2000112.5M178M178-P188 HydrophobicContact CG-CB 4.24Å; M178-P188 HydrophobicContact CG-CG 4.16Å; M178-P188 HydrophobicContact SD-CG 4.08Å
189S94Very high91.3Very high8 Ų852 Ų526%0.05627%0.273CS..PPolyproline II helixtrans-57165.2166.471.20000111.9P114 S176 V177P114-S189 WeakPolarHBondContact O-CB 3.36Å; S176-S189 WeakPolarHBondContact CA-OG 3.46Å; V177-S189 PolarHBondContact N-OG 3.35Å; V177-S189 WeakPolarHBondContact O-CB 3.46Å; V177-S189 PolarHBondContact O-N 2.61Å
190Y91.3Very high91.3Very high214 Ų21452.9 Ų52.984%0.83928%0.28SS*.PPolyproline II helixtrans-55.1134158.6-74.2-74.1000109
191P91.3Very high91.3Very high83 Ų8351.9 Ų51.954%0.53927%0.274SS..PPolyproline II helixtrans-77.9150.6-175.629.8-34.2000112T174 L175T174-P191 HydrophobicContact CG2-CB 3.54Å; T174-P191 HydrophobicContact CG2-CG 4.36Å; L175-P191 CarbonylContact O-C 3.57Å; L175-P191 VanDerWaalsContact O-CA 3.22Å; L175-P191 WeakPolarHBondContact O-CA 3.26Å
192I93.6Very high91.5Very high59 Ų5959.8 Ų59.830%0.30331%0.308SS..EExtended strand (participates in β ladder)trans-120146.3167.7-164.1169.1000109.3I116 A119 L175I116-I192 HydrophobicContact CB-CG2 4.5Å; I116-I192 HydrophobicContact CD1-CG2 3.87Å; I116-I192 HydrophobicContact CG2-CD1 4.47Å; I116-I192 HydrophobicContact CG2-CG2 3.88Å; A119-I192 HydrophobicContact CB-CG2 3.68Å; L175-I192 HydrophobicContact CB-CG2 4.12Å; L175-I192 PolarHBondContact N-O 3.33Å; L175-I192 PolarHBondContact O-N 3.04Å
193E92.5Very high91.9Very high111 Ų11155.1 Ų55.152%0.51927%0.274SS..EExtended strand (participates in β ladder)trans-91.3137.1170.8-66.5-168.3-178.600110.7K147 Y173K147-E193 WeakPolarHBondContact CE-OE1 3.46Å; K147-E193 VanDerWaalsContact NZ-CD 3.33Å; K147-E193 IonicContact NZ-OE1 3.25Å; K147-E193 PolarHBondContact NZ-OE1 2.75Å; K147-E193 IonicContact NZ-OE2 3.73Å; K147-E193 PolarHBondContact NZ-OE2 3.11Å; Y173-E193 WeakPolarHBondContact O-CA 3.41Å
194A92.5Very high92.5Very high13 Ų1360 Ų6011%0.10730%0.297CS..EExtended strand (participates in β ladder)trans-145.4148.4164.800000110.8A119 I127 Y173 L175A119-A194 HydrophobicContact CB-CB 4.03Å; I127-A194 HydrophobicContact CD1-CB 4.3Å; I127-A194 WeakPolarHBondContact CD1-O 3.08Å; I127-A194 HydrophobicContact CG2-CB 4.17Å; Y173-A194 PolarHBondContact N-O 3.03Å; Y173-A194 PolarHBondContact O-N 2.89Å; L175-A194 HydrophobicContact CD1-CB 3.66Å
195R91.3Very high92.9Very high56 Ų5659.9 Ų59.921%0.21129%0.292CS..EExtended strand (participates in β ladder)trans-100.7142.7177.3-158.5179.2-71.4166-8110.7S121 Y170 T171 D172 E269S121-R195 WeakPolarHBondContact CB-O 3.46Å; Y170-R195 PolarHBondContact OH-NH1 2.9Å; Y170-R195 VanDerWaalsContact OH-NH1 3.15Å; T171-R195 WeakPolarHBondContact O-CA 3.4Å; T171-R195 WeakPolarHBondContact O-CG 3.35Å; D172-R195 WeakPolarHBondContact OD1-CB 2.97Å; D172-R195 WeakPolarHBondContact OD1-CG 3.35Å; D172-R195 IonicContact OD1-CZ 2.96Å; D172-R195 IonicContact OD1-NE 3.85Å; D172-R195 PolarHBondContact OD1-NE 3.21Å; D172-R195 IonicContact OD1-NH2 3.96Å; D172-R195 PolarHBondContact OD1-NH2 2.86Å; D172-R195 IonicContact OD2-CZ 2.94Å; D172-R195 IonicContact OD2-NE 2.76Å; D172-R195 PolarHBondContact OD2-NE 2.77Å; D172-R195 IonicContact OD2-NH2 2.72Å; D172-R195 PolarHBondContact OD2-NH2 2.86Å; R195-E269 IonicContact NH1-OE1 2.69Å; R195-E269 IonicContact NH1-OE2 3.36Å; R195-E269 PolarHBondContact NH1-OE2 2.83Å
196T93.3Very high93.1Very high0 Ų056.2 Ų56.20%029%0.287CS..PPolyproline II helixtrans-66.9153.7162.345.90000111.3S121 S124 I127 L167 Q168 Y170 T171 Y173S121-T196 WeakPolarHBondContact OG-CA 2.99Å; S124-T196 VanDerWaalsContact O-CB 3.3Å; S124-T196 WeakPolarHBondContact O-CB 3.1Å; S124-T196 WeakPolarHBondContact O-CG2 3.23Å; I127-T196 HydrophobicContact CD1-CG2 4.12Å; I127-T196 HydrophobicContact CG1-CG2 3.93Å; L167-T196 HydrophobicContact CB-CG2 3.78Å; L167-T196 HydrophobicContact CD1-CG2 3.85Å; L167-T196 HydrophobicContact CG-CG2 4.47Å; Q168-T196 WeakPolarHBondContact O-CB 3.03Å; Q168-T196 PolarHBondContact O-OG1 3.19Å; Y170-T196 WeakPolarHBondContact CA-O 3.23Å; Y170-T196 PolarHBondContact N-OG1 2.94Å; T171-T196 PolarHBondContact N-OG1 3.42Å; T171-T196 PolarHBondContact O-N 2.96Å; T171-T196 VanDerWaalsContact O-N 3.14Å; T171-T196 PolarHBondContact O-OG1 2.84Å; Y173-T196 HydrophobicContact CD2-CG2 4.4Å; Y173-T196 HydrophobicContact CE2-CG2 4.22Å
197V93.8Very high93.3Very high3 Ų356.2 Ų56.22%0.01829%0.287CS..PPolyproline II helixtrans-80.3173176-60.70000112.2S121 N123 S124 Y170 R271S121-V197 PolarHBondContact OG-N 3.17Å; N123-V197 VanDerWaalsContact C-CG2 3.46Å; S124-V197 WeakPolarHBondContact CA-O 3.4Å; S124-V197 WeakPolarHBondContact CB-O 3.42Å; Y170-V197 PolarHBondContact N-O 2.89Å; Y170-V197 VanDerWaalsContact N-O 3.12Å; V197-R271 HydrophobicContact CG1-CB 4.44Å
198V94.1Very high93.4Very high2 Ų255 Ų551%0.01229%0.287CS..PPolyproline II helixtrans-73.2156.1175.4-65.80000112.2Y170 V220 H222 A265 D267 G273 D274Y170-V198 HydrophobicContact CD2-CG1 3.58Å; Y170-V198 HydrophobicContact CE2-CG1 4.25Å; Y170-V198 HydrophobicContact CG-CG1 4.09Å; V198-V220 HydrophobicContact CB-CG1 4.23Å; V198-H222 HydrophobicContact CG1-CB 4.36Å; V198-A265 HydrophobicContact CG2-CB 3.74Å; V198-D267 HydrophobicContact CG1-CB 4.14Å; V198-G273 CarbonylContact O-C 3.52Å; V198-G273 WeakPolarHBondContact O-CA 3.46Å; V198-D274 PolarHBondContact O-N 2.6Å
199V94.4Very high93.5Very high56 Ų5653.5 Ų53.534%0.33928%0.278SS..PPolyproline II helixtrans-71.1158.5176.2-62.50000112.5P169 V220P169-V199 HydrophobicContact CB-CG1 3.69Å; P169-V199 HydrophobicContact CG-CG1 3.4Å; V199-V220 HydrophobicContact CG2-CG1 3.66Å; V199-V220 HydrophobicContact CG2-CG2 4.34Å
200A93.4Very high93.4Very high19 Ų1955.4 Ų55.416%0.15729%0.288CS..PPolyproline II helixtrans-65.3143.7170.800000111.9K202 D274 L276A200-K202 PolarHBondContact O-N 2.64Å; A200-D274 WeakPolarHBondContact CA-O 3.31Å; A200-D274 HydrophobicContact CB-CB 3.94Å; A200-D274 WeakPolarHBondContact CB-O 3.49Å; A200-L276 HydrophobicContact CB-CB 3.83Å
201P94.3Very high93.5Very high0 Ų048.2 Ų48.20%026%0.264CS..PPolyproline II helixtrans-66.512817227.9-33.3000110.8M203 W217 V220 Y226P201-M203 PolarHBondContact O-N 3.34Å; P201-W217 HydrophobicContact CB-CB 4.23Å; P201-W217 HydrophobicContact CB-CD2 4.41Å; P201-W217 HydrophobicContact CB-CG 3.84Å; P201-V220 HydrophobicContact CB-CG2 4.11Å; P201-Y226 HydrophobicContact CB-CD1 4.16Å; P201-Y226 HydrophobicContact CB-CE1 4.24Å; P201-Y226 HydrophobicContact CG-CD1 4.23Å
202K93.8Very high93.7Very high179 Ų17944.5 Ų44.578%0.77824%0.24SC*.  trans-77.489.6175.3-67.7-176.7-178.1177.10110A200 W217A200-K202 PolarHBondContact O-N 2.64Å; K202-W217 VanDerWaalsContact O-CB 3.3Å; K202-W217 WeakPolarHBondContact O-CB 3.05Å
203M95.1Very high93.8Very high17 Ų1741.7 Ų41.78%0.08423%0.226CC..  trans-77.6138.2-177.5-63.1-179.6-62.100112.7P201 V215 T216 W217 L228 I261 L276 V278P201-M203 PolarHBondContact O-N 3.34Å; M203-V215 HydrophobicContact CB-CG1 3.91Å; M203-V215 HydrophobicContact CG-CG1 3.96Å; M203-V215 HydrophobicContact SD-CG1 3.87Å; M203-T216 CarbonylContact C-O 3.41Å; M203-T216 WeakPolarHBondContact CA-O 3.48Å; M203-W217 HydrophobicContact CG-CE3 4.23Å; M203-L228 HydrophobicContact SD-CD2 4.15Å; M203-L228 HydrophobicContact SD-CG 4.31Å; M203-I261 WeakPolarHBondContact CE-O 3.46Å; M203-I261 HydrophobicContact SD-CG2 4.18Å; M203-L276 WeakPolarHBondContact CE-O 3.17Å; M203-V278 HydrophobicContact CB-CG2 4.33Å; M203-V278 HydrophobicContact CE-CG2 4.25Å
204N94.5Very high93.9Very high115 Ų11538.9 Ų38.962%0.61521%0.214SC*.EExtended strand (participates in β ladder)trans-118.2138166.6-173.925.3000108.9V215 T216N204-V215 WeakPolarHBondContact O-CA 2.81Å; N204-T216 PolarHBondContact N-O 2.83Å; N204-T216 PolarHBondContact O-N 3.33Å; N204-T216 PolarHBondContact O-OG1 3.2Å
205T95Very high94.1Very high19 Ų1938.2 Ų38.212%0.11721%0.209CC..EExtended strand (participates in β ladder)trans-128.8131.2-167.353.90000111.7L214 V215 I261 V278 Q280T205-L214 WeakPolarHBondContact CA-O 3.17Å; T205-V215 HydrophobicContact CG2-CG1 4.13Å; T205-V215 HydrophobicContact CG2-CG2 4.17Å; T205-I261 HydrophobicContact CG2-CD1 4.41Å; T205-V278 HydrophobicContact CG2-CB 4.29Å; T205-V278 HydrophobicContact CG2-CG1 3.81Å; T205-Q280 PolarHBondContact O-NE2 2.99Å
206S94.3Very high94.4Very high57 Ų5738 Ų3840%0.39921%0.214SC..EExtended strand (participates in β ladder)trans-133.3155.5171.662.30000110.7I213 L214S206-I213 CarbonylContact O-C 3.48Å; S206-I213 WeakPolarHBondContact O-CA 3.44Å; S206-L214 PolarHBondContact N-O 2.78Å; S206-L214 PolarHBondContact O-N 2.85Å
207S95.2Very high94.5Very high5 Ų538.6 Ų38.64%0.03522%0.216CC..  trans-113.9106.1172.3176.80000108.9S209 S212 I281 T282 R283S207-S209 PolarHBondContact OG-O 3.12Å; S207-S212 WeakPolarHBondContact CA-O 3.42Å; S207-S212 WeakPolarHBondContact CB-O 3.4Å; S207-S212 PolarHBondContact OG-O 2.97Å; S207-I281 WeakPolarHBondContact CB-O 3.47Å; S207-T282 WeakPolarHBondContact OG-CA 3.41Å; S207-R283 PolarHBondContact O-NE 3Å; S207-R283 PolarHBondContact OG-N 2.87Å
208P92.3Very high94.5Very high72 Ų7246.1 Ų46.147%0.46825%0.251SS..SBendtrans-81.1-28.7-17729-30.5000113.1S212 R283P208-S212 WeakPolarHBondContact CD-OG 3.49Å; P208-S212 WeakPolarHBondContact CG-OG 3.21Å; P208-R283 PolarHBondContact O-NE 2.88Å
209S93.1Very high94.5Very high36 Ų3650.8 Ų50.825%0.25228%0.281SS..SBendtrans-124.6-178.6174.862.40000111.6S207 D211 S212S207-S209 PolarHBondContact OG-O 3.12Å; S209-D211 VanDerWaalsContact C-N 3.29Å; S209-D211 VanDerWaalsContact CB-OD1 3.28Å; S209-D211 WeakPolarHBondContact CB-OD1 3.35Å; S209-D211 PolarHBondContact OG-N 2.86Å; S209-D211 PolarHBondContact OG-OD1 3.44Å; S209-S212 WeakPolarHBondContact OG-CB 3.41Å; S209-S212 PolarHBondContact OG-N 2.69Å; S209-S212 PolarHBondContact OG-OG 2.82Å
210N92.4Very high94.5Very high47 Ų4748.9 Ų48.925%0.25127%0.269SS..SBendtrans-73.9-18.2172.763.3-32.6000112.9P255 T282 R283 D285N210-P255 HydrophobicContact CB-CB 3.97Å; N210-P255 VanDerWaalsContact O-CA 3.24Å; N210-P255 WeakPolarHBondContact O-CA 3.43Å; N210-T282 WeakPolarHBondContact O-CB 3.46Å; N210-R283 HydrophobicContact CB-CB 4.4Å; N210-D285 PolarHBondContact ND2-OD1 2.93Å
211D94.1Very high94.4Very high63 Ų6355.2 Ų55.234%0.33730%0.295SS..SBendtrans-1178.8-174.570.6-30.8000114.7S209 D251 N252 L253S209-D211 VanDerWaalsContact C-N 3.29Å; S209-D211 VanDerWaalsContact CB-OD1 3.28Å; S209-D211 WeakPolarHBondContact CB-OD1 3.35Å; S209-D211 PolarHBondContact OG-N 2.86Å; S209-D211 PolarHBondContact OG-OD1 3.44Å; D211-D251 CarbonylContact O-C 3.55Å; D211-N252 PolarHBondContact O-N 3.08Å; D211-N252 VanDerWaalsContact O-N 3.13Å; D211-L253 WeakPolarHBondContact CA-O 3.45Å; D211-L253 WeakPolarHBondContact O-CB 3.45Å; D211-L253 PolarHBondContact O-N 2.87Å
212S94.9Very high94.2Very high6 Ų660 Ų604%0.04232%0.317CS..  trans-139.3153.4-178.772.40000115.7S207 P208 S209 F250 D251S207-S212 WeakPolarHBondContact CA-O 3.42Å; S207-S212 WeakPolarHBondContact CB-O 3.4Å; S207-S212 PolarHBondContact OG-O 2.97Å; P208-S212 WeakPolarHBondContact CD-OG 3.49Å; P208-S212 WeakPolarHBondContact CG-OG 3.21Å; S209-S212 WeakPolarHBondContact OG-CB 3.41Å; S209-S212 PolarHBondContact OG-N 2.69Å; S209-S212 PolarHBondContact OG-OG 2.82Å; S212-F250 CarbonylContact C-O 3.57Å; S212-F250 WeakPolarHBondContact CA-O 3.45Å; S212-F250 WeakPolarHBondContact CB-O 3.48Å; S212-D251 WeakPolarHBondContact CB-OD1 3.21Å
213I95.9Very high94.2Very high0 Ų052.4 Ų52.40%029%0.289CS..EExtended strand (participates in β ladder)trans-130.7123.7170.7-68170.5000109S206 V215 M230 F250 L253 Y259 I261 Q280 T282S206-I213 CarbonylContact O-C 3.48Å; S206-I213 WeakPolarHBondContact O-CA 3.44Å; I213-V215 HydrophobicContact CG2-CG2 4.04Å; I213-M230 HydrophobicContact CB-CE 4.22Å; I213-M230 HydrophobicContact CD1-CE 4.11Å; I213-M230 HydrophobicContact CG2-CE 4.41Å; I213-F250 PolarHBondContact N-O 2.91Å; I213-F250 PolarHBondContact O-N 3.49Å; I213-L253 HydrophobicContact CB-CD1 3.96Å; I213-L253 HydrophobicContact CD1-CD1 3.77Å; I213-L253 HydrophobicContact CG1-CD1 3.71Å; I213-Y259 HydrophobicContact CD1-CD2 3.76Å; I213-Y259 HydrophobicContact CD1-CG 4.08Å; I213-I261 HydrophobicContact CG2-CD1 4.38Å; I213-Q280 HydrophobicContact CD1-CB 4.16Å; I213-Q280 HydrophobicContact CD1-CG 4.16Å; I213-Q280 HydrophobicContact CG1-CG 4.19Å; I213-Q280 HydrophobicContact CG2-CB 4.34Å; I213-Q280 HydrophobicContact CG2-CG 4.18Å; I213-T282 HydrophobicContact CD1-CG2 4.07Å; I213-T282 HydrophobicContact CG1-CG2 4Å
214L95.4Very high94.1Very high51 Ų5156.4 Ų56.427%0.26731%0.309SS..EExtended strand (participates in β ladder)trans-92.9127.4170.4175.863.5000109.6T205 S206 T216 W247T205-L214 WeakPolarHBondContact CA-O 3.17Å; S206-L214 PolarHBondContact N-O 2.78Å; S206-L214 PolarHBondContact O-N 2.85Å; L214-T216 HydrophobicContact CD1-CG2 4.19Å; L214-T216 HydrophobicContact CD2-CG2 4.36Å; L214-T216 HydrophobicContact CG-CG2 4.11Å; L214-W247 HydrophobicContact CD1-CE3 4.23Å
215V96.5Very high94Very high0 Ų055.9 Ų55.90%030%0.299CS..EExtended strand (participates in β ladder)trans-115.8129.1175.2-169.20000108.6M203 N204 T205 I213 W217 L228 W247 V248 F250 I261M203-V215 HydrophobicContact CB-CG1 3.91Å; M203-V215 HydrophobicContact CG-CG1 3.96Å; M203-V215 HydrophobicContact SD-CG1 3.87Å; N204-V215 WeakPolarHBondContact O-CA 2.81Å; T205-V215 HydrophobicContact CG2-CG1 4.13Å; T205-V215 HydrophobicContact CG2-CG2 4.17Å; I213-V215 HydrophobicContact CG2-CG2 4.04Å; V215-W217 HydrophobicContact CB-CZ3 4.28Å; V215-W217 HydrophobicContact CG1-CE3 4.05Å; V215-W217 HydrophobicContact CG1-CZ3 3.97Å; V215-L228 HydrophobicContact CB-CD2 4.2Å; V215-L228 HydrophobicContact CG1-CD2 3.97Å; V215-W247 CarbonylContact O-C 3.56Å; V215-W247 WeakPolarHBondContact O-CA 3.22Å; V215-V248 PolarHBondContact N-O 3.25Å; V215-V248 PolarHBondContact O-N 3.4Å; V215-F250 HydrophobicContact CG2-CD2 4Å; V215-F250 HydrophobicContact CG2-CE2 3.85Å; V215-I261 HydrophobicContact CG2-CG1 4.41Å
216T96.5Very high94.1Very high52 Ų5255.3 Ų55.332%0.31929%0.294SS..EExtended strand (participates in β ladder)trans-132.9147.5179.2550000110.8M203 N204 L214 W247M203-T216 CarbonylContact C-O 3.41Å; M203-T216 WeakPolarHBondContact CA-O 3.48Å; N204-T216 PolarHBondContact N-O 2.83Å; N204-T216 PolarHBondContact O-N 3.33Å; N204-T216 PolarHBondContact O-OG1 3.2Å; L214-T216 HydrophobicContact CD1-CG2 4.19Å; L214-T216 HydrophobicContact CD2-CG2 4.36Å; L214-T216 HydrophobicContact CG-CG2 4.11Å; T216-W247 HydrophobicContact CG2-CB 3.9Å
217W96Very high94.1Very high12 Ų1253 Ų535%0.04528%0.278CS..  trans-144.8173.6174.654.1102.1000110.8P201 K202 M203 V215 Y226 L228 T243 D245 T246 V248P201-W217 HydrophobicContact CB-CB 4.23Å; P201-W217 HydrophobicContact CB-CD2 4.41Å; P201-W217 HydrophobicContact CB-CG 3.84Å; K202-W217 VanDerWaalsContact O-CB 3.3Å; K202-W217 WeakPolarHBondContact O-CB 3.05Å; M203-W217 HydrophobicContact CG-CE3 4.23Å; V215-W217 HydrophobicContact CB-CZ3 4.28Å; V215-W217 HydrophobicContact CG1-CE3 4.05Å; V215-W217 HydrophobicContact CG1-CZ3 3.97Å; W217-Y226 AromaticContact CE2-CG 3.93Å; W217-Y226 HydrophobicContact CZ2-CD1 4.46Å; W217-Y226 AromaticContact CZ2-CD2 3.89Å; W217-Y226 HydrophobicContact CZ2-CD2 3.89Å; W217-Y226 AromaticContact CZ2-CG 3.8Å; W217-Y226 HydrophobicContact CZ2-CG 3.8Å; W217-Y226 AromaticContact NE1-CD1 3.47Å; W217-Y226 AromaticContact NE1-CD2 3.57Å; W217-Y226 AromaticContact NE1-CE1 3.46Å; W217-Y226 AromaticContact NE1-CE2 3.59Å; W217-Y226 AromaticContact NE1-CG 3.54Å; W217-Y226 AromaticContact NE1-CZ 3.54Å; W217-L228 HydrophobicContact CH2-CD1 3.5Å; W217-L228 VanDerWaalsContact CH2-CD1 3.5Å; W217-L228 HydrophobicContact CH2-CD2 3.8Å; W217-L228 HydrophobicContact CH2-CG 4.31Å; W217-L228 HydrophobicContact CZ2-CD1 3.89Å; W217-L228 HydrophobicContact CZ3-CD1 4.11Å; W217-L228 HydrophobicContact CZ3-CD2 3.63Å; W217-L228 HydrophobicContact CZ3-CG 4.49Å; W217-T243 HydrophobicContact CH2-CG2 3.97Å; W217-T243 HydrophobicContact CZ2-CG2 3.91Å; W217-D245 WeakPolarHBondContact CZ2-O 3.15Å; W217-T246 PolarHBondContact N-O 3.02Å; W217-T246 WeakPolarHBondContact O-CB 3.29Å; W217-V248 HydrophobicContact CH2-CB 4.48Å; W217-V248 HydrophobicContact CH2-CG2 4.02Å
218H94.3Very high94.2Very high161 Ų16152.7 Ų52.775%0.74528%0.276SS*.PPolyproline II helixtrans-91.2149.3168.5-64.2-24.1000110.3V220H218-V220 PolarHBondContact O-N 3Å
219P93.5Very high94.3Very high100 Ų10050.4 Ų50.465%0.64926%0.259SS*.PPolyproline II helixtrans-52.5128.8176.5-20.227.2000111.3T246P219-T246 HydrophobicContact CB-CG2 4.2Å; P219-T246 HydrophobicContact CG-CG2 3.86Å
220V94.3Very high94.4Very high15 Ų1548.9 Ų48.99%0.09125%0.248CC..PPolyproline II helixtrans-82.2129.1169.21740000108V198 V199 P201 H218 A223 Y226 A265V198-V220 HydrophobicContact CB-CG1 4.23Å; V199-V220 HydrophobicContact CG2-CG1 3.66Å; V199-V220 HydrophobicContact CG2-CG2 4.34Å; P201-V220 HydrophobicContact CB-CG2 4.11Å; H218-V220 PolarHBondContact O-N 3Å; V220-A223 HydrophobicContact CB-CB 3.81Å; V220-A223 HydrophobicContact CG1-CB 3.97Å; V220-A223 WeakPolarHBondContact O-CB 3.24Å; V220-A223 PolarHBondContact O-N 2.83Å; V220-Y226 HydrophobicContact CB-CE1 4.03Å; V220-Y226 HydrophobicContact CG2-CE1 3.95Å; V220-Y226 PolarHBondContact N-OH 2.89Å; V220-A265 HydrophobicContact CB-CB 4.45Å; V220-A265 HydrophobicContact CG1-CB 4.32Å
221E91.4Very high94.4Very high152 Ų15249 Ų4971%0.7125%0.248SC*.THydrogen-bonded Turntrans-61.7138.8178.9-158.4172.9-175.400110.8A223E221-A223 PolarHBondContact O-N 2.93Å
222H90.6Very high94.3Very high100 Ų10050.5 Ų50.546%0.46325%0.249SC..THydrogen-bonded Turntrans61.42.7-174.6-46.5-66.5000117Y170 V198Y170-H222 HydrophobicContact CD1-CB 3.54Å; Y170-H222 AromaticContact CD1-CD2 3.14Å; Y170-H222 WeakPolarHBondContact CD1-CD2 3.25Å; Y170-H222 AromaticContact CD1-CG 3.28Å; Y170-H222 AromaticContact CD1-NE2 3.81Å; Y170-H222 HydrophobicContact CD2-CB 4.24Å; Y170-H222 HydrophobicContact CE1-CB 3.49Å; Y170-H222 VanDerWaalsContact CE1-CB 3.49Å; Y170-H222 AromaticContact CE1-CD2 3.76Å; Y170-H222 AromaticContact CE1-CG 3.39Å; Y170-H222 AromaticContact CE1-ND1 3.82Å; Y170-H222 HydrophobicContact CE2-CB 4.2Å; Y170-H222 HydrophobicContact CG-CB 3.9Å; Y170-H222 AromaticContact CG-CD2 3.8Å; V198-H222 HydrophobicContact CG1-CB 4.36Å
223A92.8Very high93.9Very high21 Ų2156.3 Ų56.317%0.17428%0.276CS..  trans-78.5130.3170.800000111.4V220 E221 Y226 A265 W266V220-A223 HydrophobicContact CB-CB 3.81Å; V220-A223 HydrophobicContact CG1-CB 3.97Å; V220-A223 WeakPolarHBondContact O-CB 3.24Å; V220-A223 PolarHBondContact O-N 2.83Å; E221-A223 PolarHBondContact O-N 2.93Å; A223-Y226 HydrophobicContact CB-CE1 4.04Å; A223-A265 HydrophobicContact CB-CB 3.91Å; A223-W266 CarbonylContact C-O 3.58Å; A223-W266 VanDerWaalsContact CA-O 3.29Å; A223-W266 WeakPolarHBondContact CA-O 3.29Å
224I92.4Very high93.2Very high100 Ų10060.5 Ų60.551%0.51332%0.319SS..  trans-101.1-14.4175.861.9156.2000113.3W266 D267 A268I224-W266 PolarHBondContact N-O 2.83Å; I224-D267 WeakPolarHBondContact CG1-O 3.19Å; I224-A268 HydrophobicContact CG2-CB 4.24Å
225R94.1Very high92.8Very high104 Ų10460 Ų6039%0.39232%0.319SS..EExtended strand (participates in β ladder)trans-159.3150.7-174.2175.2-177.9173.6-179.5-1.4110.3N242 W266R225-N242 PolarHBondContact NH2-ND2 3.16Å; R225-N242 PolarHBondContact NH2-OD1 3.43Å; R225-W266 HydrophobicContact CB-CB 4.24Å; R225-W266 PolarHBondContact O-N 2.9Å
226Y95.9Very high92.3Very high8 Ų865.1 Ų65.13%0.03136%0.356CS..EExtended strand (participates in β ladder)trans-118.4147171.4-54-81.9000110.7P201 W217 V220 A223 N242 T243 D245 T246 M264 A265P201-Y226 HydrophobicContact CB-CD1 4.16Å; P201-Y226 HydrophobicContact CB-CE1 4.24Å; P201-Y226 HydrophobicContact CG-CD1 4.23Å; W217-Y226 AromaticContact CE2-CG 3.93Å; W217-Y226 HydrophobicContact CZ2-CD1 4.46Å; W217-Y226 AromaticContact CZ2-CD2 3.89Å; W217-Y226 HydrophobicContact CZ2-CD2 3.89Å; W217-Y226 AromaticContact CZ2-CG 3.8Å; W217-Y226 HydrophobicContact CZ2-CG 3.8Å; W217-Y226 AromaticContact NE1-CD1 3.47Å; W217-Y226 AromaticContact NE1-CD2 3.57Å; W217-Y226 AromaticContact NE1-CE1 3.46Å; W217-Y226 AromaticContact NE1-CE2 3.59Å; W217-Y226 AromaticContact NE1-CG 3.54Å; W217-Y226 AromaticContact NE1-CZ 3.54Å; V220-Y226 HydrophobicContact CB-CE1 4.03Å; V220-Y226 HydrophobicContact CG2-CE1 3.95Å; V220-Y226 PolarHBondContact N-OH 2.89Å; A223-Y226 HydrophobicContact CB-CE1 4.04Å; Y226-N242 WeakPolarHBondContact O-CA 3.41Å; Y226-T243 PolarHBondContact N-O 3.22Å; Y226-T243 PolarHBondContact O-N 2.94Å; Y226-D245 WeakPolarHBondContact CD2-O 3.14Å; Y226-T246 HydrophobicContact CE2-CG2 4.46Å; Y226-M264 CarbonylContact C-O 3.57Å; Y226-M264 WeakPolarHBondContact CA-O 3.43Å; Y226-A265 HydrophobicContact CD1-CB 3.94Å; Y226-A265 HydrophobicContact CE1-CB 3.93Å
227T95.5Very high91.7Very high7 Ų767.1 Ų67.14%0.04337%0.368CS..EExtended strand (participates in β ladder)trans-122.3124.3167.5-630000108.9I229 I240 V241 N242 M264 W266T227-I229 HydrophobicContact CG2-CG1 4.24Å; T227-I240 HydrophobicContact CG2-CG2 3.75Å; T227-V241 WeakPolarHBondContact CA-O 3.29Å; T227-N242 PolarHBondContact OG1-OD1 3.39Å; T227-M264 HydrophobicContact CG2-CE 4.41Å; T227-M264 PolarHBondContact N-O 3.37Å; T227-M264 PolarHBondContact O-N 2.85Å; T227-W266 PolarHBondContact OG1-NE1 2.97Å
228L96.1Very high91.4Very high0 Ų074.8 Ų74.80%040%0.397CS..EExtended strand (participates in β ladder)trans-110.6133.1174.7-75.874.1000108.6M203 V215 W217 I240 V241 V248 F250 I261 K262M203-L228 HydrophobicContact SD-CD2 4.15Å; M203-L228 HydrophobicContact SD-CG 4.31Å; V215-L228 HydrophobicContact CB-CD2 4.2Å; V215-L228 HydrophobicContact CG1-CD2 3.97Å; W217-L228 HydrophobicContact CH2-CD1 3.5Å; W217-L228 VanDerWaalsContact CH2-CD1 3.5Å; W217-L228 HydrophobicContact CH2-CD2 3.8Å; W217-L228 HydrophobicContact CH2-CG 4.31Å; W217-L228 HydrophobicContact CZ2-CD1 3.89Å; W217-L228 HydrophobicContact CZ3-CD1 4.11Å; W217-L228 HydrophobicContact CZ3-CD2 3.63Å; W217-L228 HydrophobicContact CZ3-CG 4.49Å; L228-I240 WeakPolarHBondContact O-CA 3.42Å; L228-V241 PolarHBondContact N-O 3.07Å; L228-V241 PolarHBondContact O-N 3.42Å; L228-V248 HydrophobicContact CD2-CB 4.29Å; L228-V248 HydrophobicContact CD2-CG2 4.43Å; L228-F250 HydrophobicContact CB-CZ 4.02Å; L228-F250 HydrophobicContact CD2-CE2 4.15Å; L228-F250 HydrophobicContact CD2-CZ 4.33Å; L228-I261 HydrophobicContact CB-CG2 4.19Å; L228-I261 HydrophobicContact CD2-CG2 4Å; L228-I261 HydrophobicContact CG-CG2 4.31Å; L228-K262 CarbonylContact C-O 3.55Å; L228-K262 WeakPolarHBondContact CA-O 3.39Å
229I94.6Very high91.2Very high23 Ų2371.3 Ų71.312%0.11838%0.383CS..EExtended strand (participates in β ladder)trans-118.6104.7177-54.4-174.8000107.6T227 I231 R238 L239 I240 I261 K262 M264T227-I229 HydrophobicContact CG2-CG1 4.24Å; I229-I231 HydrophobicContact CG2-CG1 4.23Å; I229-R238 HydrophobicContact CG2-CB 3.95Å; I229-R238 HydrophobicContact CG2-CG 4.27Å; I229-L239 CarbonylContact C-O 3.56Å; I229-L239 WeakPolarHBondContact CA-O 3.32Å; I229-I240 HydrophobicContact CG1-CG1 4.21Å; I229-I240 HydrophobicContact CG1-CG2 4.4Å; I229-I240 HydrophobicContact CG2-CG1 4.33Å; I229-I261 WeakPolarHBondContact O-CA 3.46Å; I229-K262 HydrophobicContact CB-CB 4.43Å; I229-K262 PolarHBondContact N-O 2.85Å; I229-K262 PolarHBondContact O-N 2.86Å; I229-M264 HydrophobicContact CD1-CE 3.58Å; I229-M264 HydrophobicContact CG1-CE 4Å
230M94.3Very high91.3Very high5 Ų571 Ų713%0.02538%0.375CS..EExtended strand (participates in β ladder)trans-88135173176.8178.2-83.600110.3I213 R238 L239 F250 L253 Y259 I261I213-M230 HydrophobicContact CB-CE 4.22Å; I213-M230 HydrophobicContact CD1-CE 4.11Å; I213-M230 HydrophobicContact CG2-CE 4.41Å; M230-R238 WeakPolarHBondContact O-CA 3.42Å; M230-L239 HydrophobicContact CB-CB 4.37Å; M230-L239 PolarHBondContact N-O 2.68Å; M230-L239 PolarHBondContact O-N 2.03Å; M230-F250 HydrophobicContact CB-CD1 4.21Å; M230-F250 HydrophobicContact CB-CE1 3.84Å; M230-F250 HydrophobicContact CB-CZ 4.11Å; M230-F250 HydrophobicContact CE-CB 3.61Å; M230-F250 HydrophobicContact CE-CD1 3.97Å; M230-F250 HydrophobicContact CE-CD2 3.46Å; M230-F250 VanDerWaalsContact CE-CD2 3.46Å; M230-F250 HydrophobicContact CE-CE1 4.48Å; M230-F250 HydrophobicContact CE-CE2 4.05Å; M230-F250 HydrophobicContact CE-CG 3.41Å; M230-F250 VanDerWaalsContact CE-CG 3.41Å; M230-F250 HydrophobicContact SD-CB 3.96Å; M230-F250 HydrophobicContact SD-CD1 3.87Å; M230-F250 HydrophobicContact SD-CD2 4.44Å; M230-F250 HydrophobicContact SD-CE1 4.44Å; M230-F250 HydrophobicContact SD-CG 3.85Å; M230-L253 HydrophobicContact CE-CD1 4.18Å; M230-L253 HydrophobicContact SD-CD1 4.21Å; M230-L253 HydrophobicContact SD-CD2 3.79Å; M230-Y259 HydrophobicContact CE-CG 4.45Å; M230-Y259 HydrophobicContact CG-CD1 3.91Å; M230-Y259 HydrophobicContact CG-CG 4.38Å; M230-Y259 HydrophobicContact SD-CD1 3.68Å; M230-Y259 HydrophobicContact SD-CE1 4.44Å; M230-Y259 HydrophobicContact SD-CG 4.04Å; M230-I261 HydrophobicContact CB-CG1 4.21Å; M230-I261 HydrophobicContact CE-CD1 3.89Å; M230-I261 HydrophobicContact CE-CG1 3.57Å; M230-I261 HydrophobicContact CG-CG1 4.21Å
231I93.4Very high91.3Very high49 Ų4972.3 Ų72.325%0.25138%0.383SS..EExtended strand (participates in β ladder)trans-128.5122.2177.6-48.5-174.7000107.9I229 R238 Y259 C260I229-I231 HydrophobicContact CG2-CG1 4.23Å; I231-R238 HydrophobicContact CD1-CG 4.23Å; I231-R238 HydrophobicContact CG1-CG 4.17Å; I231-Y259 WeakPolarHBondContact O-CA 3.33Å; I231-C260 PolarHBondContact N-O 2.84Å; I231-C260 PolarHBondContact O-N 2.87Å
232R92.4Very high91.4Very high94 Ų9468.8 Ų68.836%0.35537%0.369SS..EExtended strand (participates in β ladder)trans-68.5132.7172.4-175.9-173.9-171.8-109.415.2109.3G234 S235 D254 I257 Y259R232-G234 PolarHBondContact O-N 2.92Å; R232-S235 WeakPolarHBondContact O-CB 3.48Å; R232-S235 PolarHBondContact O-N 3.37Å; R232-D254 IonicContact CZ-OD2 3.02Å; R232-D254 IonicContact NE-OD2 2.66Å; R232-D254 PolarHBondContact NE-OD2 3.07Å; R232-D254 IonicContact NH2-OD2 3.73Å; R232-D254 PolarHBondContact NH2-OD2 2.88Å; R232-I257 HydrophobicContact CG-CG2 3.74Å; R232-Y259 HydrophobicContact CB-CD1 3.88Å; R232-Y259 HydrophobicContact CB-CE1 3.6Å; R232-Y259 HydrophobicContact CG-CD1 4.28Å; R232-Y259 HydrophobicContact CG-CE1 3.69Å
233E86.1Confident91.6Very high129 Ų12965 Ų6560%0.60335%0.353SS*.THydrogen-bonded Turntrans-57.4135.9177-172.9168-12300111S235 S258E233-S235 PolarHBondContact O-N 3.42Å; E233-S258 VanDerWaalsContact CB-O 3.22Å; E233-S258 WeakPolarHBondContact CB-O 3.24Å; E233-S258 PolarHBondContact N-O 3.5Å; E233-S258 WeakPolarHBondContact OE2-CB 3.35Å
234G81.5Confident91.6Very high88 Ų8869 Ų6991%0.90738%0.375SS*.THydrogen-bonded Turntrans74.1-1.4-172.700000115.9R232R232-G234 PolarHBondContact O-N 2.92Å
235S87.5Confident91.6Very high39 Ų3968 Ų6827%0.27337%0.371SS..  trans-107.4155.8175.6-166.80000112.8R232 E233 T237R232-S235 WeakPolarHBondContact O-CB 3.48Å; R232-S235 PolarHBondContact O-N 3.37Å; E233-S235 PolarHBondContact O-N 3.42Å; S235-T237 PolarHBondContact OG-N 3.09Å; S235-T237 PolarHBondContact OG-OG1 2.16Å
236S84.3Confident91.7Very high109 Ų10965.3 Ų65.376%0.76237%0.366SS*.  trans-96.8-4.8165.560.90000113.3
237T84.4Confident91.6Very high94 Ų9471.2 Ų71.258%0.57739%0.389SS*.  trans-67.6135.1177.655.40000111.1S235S235-T237 PolarHBondContact OG-N 3.09Å; S235-T237 PolarHBondContact OG-OG1 2.16Å
238R89.1Confident91.6Very high172 Ų17271.4 Ų71.465%0.64939%0.39SS*.EExtended strand (participates in β ladder)trans-122.2116.5-177.6-59.9-173.4-179.6179.1-0.8109.6I229 M230 I231I229-R238 HydrophobicContact CG2-CB 3.95Å; I229-R238 HydrophobicContact CG2-CG 4.27Å; M230-R238 WeakPolarHBondContact O-CA 3.42Å; I231-R238 HydrophobicContact CD1-CG 4.23Å; I231-R238 HydrophobicContact CG1-CG 4.17Å
239L91.8Very high91.6Very high88 Ų8873.9 Ų73.946%0.46141%0.405SS..EExtended strand (participates in β ladder)trans-91116.3170.7178.357.9000108.3I229 M230 F250I229-L239 CarbonylContact C-O 3.56Å; I229-L239 WeakPolarHBondContact CA-O 3.32Å; M230-L239 HydrophobicContact CB-CB 4.37Å; M230-L239 PolarHBondContact N-O 2.68Å; M230-L239 PolarHBondContact O-N 2.03Å; L239-F250 HydrophobicContact CD2-CD1 3.71Å; L239-F250 HydrophobicContact CD2-CE1 4.15Å; L239-F250 HydrophobicContact CG-CD1 4.33Å; L239-F250 HydrophobicContact CG-CE1 4.27Å
240I94.1Very high91.6Very high95 Ų9573 Ų7349%0.48740%0.4SS..EExtended strand (participates in β ladder)trans-108.1117.4-175.5-54.2179.7000108.9T227 L228 I229T227-I240 HydrophobicContact CG2-CG2 3.75Å; L228-I240 WeakPolarHBondContact O-CA 3.42Å; I229-I240 HydrophobicContact CG1-CG1 4.21Å; I229-I240 HydrophobicContact CG1-CG2 4.4Å; I229-I240 HydrophobicContact CG2-CG1 4.33Å
241V94.9Very high91.5Very high42 Ų4277 Ų7726%0.25542%0.422SS..EExtended strand (participates in β ladder)trans-113.4138.2175.7176.70000109.1T227 L228 V248 F250T227-V241 WeakPolarHBondContact CA-O 3.29Å; L228-V241 PolarHBondContact N-O 3.07Å; L228-V241 PolarHBondContact O-N 3.42Å; V241-V248 HydrophobicContact CB-CG1 4.5Å; V241-V248 HydrophobicContact CG1-CG1 4.01Å; V241-V248 HydrophobicContact CG1-CG2 3.93Å; V241-F250 HydrophobicContact CB-CE1 4.24Å; V241-F250 HydrophobicContact CB-CZ 4.39Å; V241-F250 HydrophobicContact CG2-CD1 4.27Å; V241-F250 HydrophobicContact CG2-CE1 3.56Å; V241-F250 HydrophobicContact CG2-CZ 4.18Å
242N93.9Very high91.4Very high78 Ų7881.8 Ų81.842%0.41745%0.448SS..EExtended strand (participates in β ladder)trans-118.3128.3175.8-66.8-74000108.2R225 Y226 T227R225-N242 PolarHBondContact NH2-ND2 3.16Å; R225-N242 PolarHBondContact NH2-OD1 3.43Å; Y226-N242 WeakPolarHBondContact O-CA 3.41Å; T227-N242 PolarHBondContact OG1-OD1 3.39Å
243T94Very high91.5Very high20 Ų2078.1 Ų78.112%0.12344%0.435CS..EExtended strand (participates in β ladder)trans-141.9157-179.9-170.80000111.7W217 Y226 D245 V248W217-T243 HydrophobicContact CH2-CG2 3.97Å; W217-T243 HydrophobicContact CZ2-CG2 3.91Å; Y226-T243 PolarHBondContact N-O 3.22Å; Y226-T243 PolarHBondContact O-N 2.94Å; T243-D245 WeakPolarHBondContact CG2-O 3.35Å; T243-D245 WeakPolarHBondContact OG1-CB 3.49Å; T243-D245 PolarHBondContact OG1-N 2.97Å; T243-V248 HydrophobicContact CG2-CG2 3.66Å
244T92.7Very high91.8Very high104 Ų10475.3 Ų75.364%0.63842%0.424SS*.SBendtrans-96.1-18.8164.448.10000111.9
245D93.9Very high92.4Very high81 Ų8172.9 Ų72.943%0.43339%0.392SS..SBendtrans-73.7163.2178.3-61-55.3000111.8W217 Y226 T243 W247W217-D245 WeakPolarHBondContact CZ2-O 3.15Å; Y226-D245 WeakPolarHBondContact CD2-O 3.14Å; T243-D245 WeakPolarHBondContact CG2-O 3.35Å; T243-D245 WeakPolarHBondContact OG1-CB 3.49Å; T243-D245 PolarHBondContact OG1-N 2.97Å; D245-W247 VanDerWaalsContact C-N 3.29Å
246T94.6Very high92.6Very high47 Ų4771.2 Ų71.229%0.28838%0.382SS..SBendtrans-93.419.7176.951.30000113.8W217 P219 Y226W217-T246 PolarHBondContact N-O 3.02Å; W217-T246 WeakPolarHBondContact O-CB 3.29Å; P219-T246 HydrophobicContact CB-CG2 4.2Å; P219-T246 HydrophobicContact CG-CG2 3.86Å; Y226-T246 HydrophobicContact CE2-CG2 4.46Å
247W95.2Very high93Very high132 Ų13266.7 Ų66.750%0.535%0.349SS..EExtended strand (participates in β ladder)trans-151.9153177.865.7-81.1000110.9L214 V215 T216 D245L214-W247 HydrophobicContact CD1-CE3 4.23Å; V215-W247 CarbonylContact O-C 3.56Å; V215-W247 WeakPolarHBondContact O-CA 3.22Å; T216-W247 HydrophobicContact CG2-CB 3.9Å; D245-W247 VanDerWaalsContact C-N 3.29Å
248V94.9Very high93.5Very high11 Ų1163.3 Ų63.37%0.06733%0.329CS..EExtended strand (participates in β ladder)trans-144.9136.2170.81670000108.2V215 W217 L228 V241 T243 F250V215-V248 PolarHBondContact N-O 3.25Å; V215-V248 PolarHBondContact O-N 3.4Å; W217-V248 HydrophobicContact CH2-CB 4.48Å; W217-V248 HydrophobicContact CH2-CG2 4.02Å; L228-V248 HydrophobicContact CD2-CB 4.29Å; L228-V248 HydrophobicContact CD2-CG2 4.43Å; V241-V248 HydrophobicContact CB-CG1 4.5Å; V241-V248 HydrophobicContact CG1-CG1 4.01Å; V241-V248 HydrophobicContact CG1-CG2 3.93Å; T243-V248 HydrophobicContact CG2-CG2 3.66Å; V248-F250 HydrophobicContact CB-CE2 4.29Å; V248-F250 HydrophobicContact CG1-CD2 3.86Å; V248-F250 HydrophobicContact CG1-CE1 4.31Å; V248-F250 HydrophobicContact CG1-CE2 3.57Å; V248-F250 HydrophobicContact CG1-CG 4.34Å; V248-F250 HydrophobicContact CG1-CZ 3.83Å
249T95Very high93.7Very high51 Ų5155.6 Ų55.631%0.31330%0.3SS..EExtended strand (participates in β ladder)trans-98.5136.4162.5-46.20000109.1D251T249-D251 VanDerWaalsContact CG2-OD1 3.25Å; T249-D251 WeakPolarHBondContact CG2-OD1 3.48Å
250F94.9Very high93.9Very high6 Ų653 Ų533%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-108.1119.3168.5-66.1-90.3000108S212 I213 V215 L228 M230 L239 V241 V248 L253 I261S212-F250 CarbonylContact C-O 3.57Å; S212-F250 WeakPolarHBondContact CA-O 3.45Å; S212-F250 WeakPolarHBondContact CB-O 3.48Å; I213-F250 PolarHBondContact N-O 2.91Å; I213-F250 PolarHBondContact O-N 3.49Å; V215-F250 HydrophobicContact CG2-CD2 4Å; V215-F250 HydrophobicContact CG2-CE2 3.85Å; L228-F250 HydrophobicContact CB-CZ 4.02Å; L228-F250 HydrophobicContact CD2-CE2 4.15Å; L228-F250 HydrophobicContact CD2-CZ 4.33Å; M230-F250 HydrophobicContact CB-CD1 4.21Å; M230-F250 HydrophobicContact CB-CE1 3.84Å; M230-F250 HydrophobicContact CB-CZ 4.11Å; M230-F250 HydrophobicContact CE-CB 3.61Å; M230-F250 HydrophobicContact CE-CD1 3.97Å; M230-F250 HydrophobicContact CE-CD2 3.46Å; M230-F250 VanDerWaalsContact CE-CD2 3.46Å; M230-F250 HydrophobicContact CE-CE1 4.48Å; M230-F250 HydrophobicContact CE-CE2 4.05Å; M230-F250 HydrophobicContact CE-CG 3.41Å; M230-F250 VanDerWaalsContact CE-CG 3.41Å; M230-F250 HydrophobicContact SD-CB 3.96Å; M230-F250 HydrophobicContact SD-CD1 3.87Å; M230-F250 HydrophobicContact SD-CD2 4.44Å; M230-F250 HydrophobicContact SD-CE1 4.44Å; M230-F250 HydrophobicContact SD-CG 3.85Å; L239-F250 HydrophobicContact CD2-CD1 3.71Å; L239-F250 HydrophobicContact CD2-CE1 4.15Å; L239-F250 HydrophobicContact CG-CD1 4.33Å; L239-F250 HydrophobicContact CG-CE1 4.27Å; V241-F250 HydrophobicContact CB-CE1 4.24Å; V241-F250 HydrophobicContact CB-CZ 4.39Å; V241-F250 HydrophobicContact CG2-CD1 4.27Å; V241-F250 HydrophobicContact CG2-CE1 3.56Å; V241-F250 HydrophobicContact CG2-CZ 4.18Å; V248-F250 HydrophobicContact CB-CE2 4.29Å; V248-F250 HydrophobicContact CG1-CD2 3.86Å; V248-F250 HydrophobicContact CG1-CE1 4.31Å; V248-F250 HydrophobicContact CG1-CE2 3.57Å; V248-F250 HydrophobicContact CG1-CG 4.34Å; V248-F250 HydrophobicContact CG1-CZ 3.83Å; F250-L253 HydrophobicContact CB-CD1 4.14Å; F250-L253 HydrophobicContact CB-CD2 4.41Å; F250-I261 HydrophobicContact CE2-CG2 4.33Å
251D93.4Very high93.9Very high89 Ų8948.4 Ų48.448%0.47627%0.265SS..  trans-113.8169.9-177.7-52.8-58.5000111.3D211 S212 T249 L253D211-D251 CarbonylContact O-C 3.55Å; S212-D251 WeakPolarHBondContact CB-OD1 3.21Å; T249-D251 VanDerWaalsContact CG2-OD1 3.25Å; T249-D251 WeakPolarHBondContact CG2-OD1 3.48Å; D251-L253 VanDerWaalsContact C-N 3.32Å
252N91.6Very high93.9Very high149 Ų14949.6 Ų49.680%0.79727%0.267SS*.SBendtrans60.838.3-176.1-46.7-92.3000112.8D211D211-N252 PolarHBondContact O-N 3.08Å; D211-N252 VanDerWaalsContact O-N 3.13Å
253L93.1Very high94Very high17 Ų1745.9 Ų45.99%0.08925%0.247CC..PPolyproline II helixtrans-86.7155.1173.8-54.4-178.2000110.7D211 I213 M230 F250 D251 Y259 T282D211-L253 WeakPolarHBondContact CA-O 3.45Å; D211-L253 WeakPolarHBondContact O-CB 3.45Å; D211-L253 PolarHBondContact O-N 2.87Å; I213-L253 HydrophobicContact CB-CD1 3.96Å; I213-L253 HydrophobicContact CD1-CD1 3.77Å; I213-L253 HydrophobicContact CG1-CD1 3.71Å; M230-L253 HydrophobicContact CE-CD1 4.18Å; M230-L253 HydrophobicContact SD-CD1 4.21Å; M230-L253 HydrophobicContact SD-CD2 3.79Å; F250-L253 HydrophobicContact CB-CD1 4.14Å; F250-L253 HydrophobicContact CB-CD2 4.41Å; D251-L253 VanDerWaalsContact C-N 3.32Å; L253-Y259 HydrophobicContact CB-CE2 3.93Å; L253-Y259 HydrophobicContact CD1-CD2 4.28Å; L253-Y259 HydrophobicContact CD1-CE2 4.27Å; L253-Y259 HydrophobicContact CD2-CD1 4.37Å; L253-Y259 HydrophobicContact CD2-CE1 3.94Å; L253-Y259 HydrophobicContact CG-CE2 4.49Å; L253-T282 HydrophobicContact CB-CG2 3.89Å; L253-T282 HydrophobicContact CD1-CG2 3.97Å
254D92.6Very high94Very high69 Ų6946 Ų4637%0.36925%0.247SC..PPolyproline II helixtrans-72.7141.4172.8-61.2-47.4000110.1R232 I257 Y259 T282R232-D254 IonicContact CZ-OD2 3.02Å; R232-D254 IonicContact NE-OD2 2.66Å; R232-D254 PolarHBondContact NE-OD2 3.07Å; R232-D254 IonicContact NH2-OD2 3.73Å; R232-D254 PolarHBondContact NH2-OD2 2.88Å; D254-I257 HydrophobicContact CB-CB 4.23Å; D254-I257 HydrophobicContact CB-CG1 3.53Å; D254-Y259 WeakPolarHBondContact CB-OH 2.98Å; D254-Y259 PolarHBondContact N-OH 3.39Å; D254-T282 PolarHBondContact O-OG1 3.4Å
255P93.7Very high94.1Very high37 Ų3741 Ų4124%0.2422%0.216CC..THydrogen-bonded Turntrans-75.6143.9-179.431.9-36.9000113.2N210 I257 D285N210-P255 HydrophobicContact CB-CB 3.97Å; N210-P255 VanDerWaalsContact O-CA 3.24Å; N210-P255 WeakPolarHBondContact O-CA 3.43Å; P255-I257 VanDerWaalsContact C-N 3.26Å; P255-I257 PolarHBondContact O-N 2.85Å; P255-D285 HydrophobicContact CB-CB 3.83Å; P255-D285 HydrophobicContact CG-CB 3.77Å
256G92.7Very high94.1Very high5 Ų540 Ų405%0.05221%0.206CC..THydrogen-bonded Turntrans64.521.6-178.100000115.6T282 R283 Q310 G311G256-T282 PolarHBondContact N-OG1 2.79Å; G256-R283 PolarHBondContact N-O 2.85Å; G256-Q310 WeakPolarHBondContact CA-O 3.38Å; G256-G311 WeakPolarHBondContact O-CA 3.28Å
257I92.9Very high93.9Very high13 Ų1337.8 Ų37.87%0.06719%0.193CC..  trans-107.8141.1-179.4-59-56.7000110.9R232 D254 P255 Y259 I281 T282 Q310R232-I257 HydrophobicContact CG-CG2 3.74Å; D254-I257 HydrophobicContact CB-CB 4.23Å; D254-I257 HydrophobicContact CB-CG1 3.53Å; P255-I257 VanDerWaalsContact C-N 3.26Å; P255-I257 PolarHBondContact O-N 2.85Å; I257-Y259 HydrophobicContact CB-CD2 4.48Å; I257-Y259 HydrophobicContact CB-CE2 3.71Å; I257-Y259 HydrophobicContact CG2-CD2 4.31Å; I257-Y259 HydrophobicContact CG2-CE2 3.74Å; I257-Y259 VanDerWaalsContact O-CD2 3.31Å; I257-Y259 WeakPolarHBondContact O-CD2 3.25Å; I257-Y259 WeakPolarHBondContact O-CE2 3.47Å; I257-I281 WeakPolarHBondContact O-CA 3.3Å; I257-T282 PolarHBondContact N-OG1 3.39Å; I257-T282 PolarHBondContact O-N 2.64Å; I257-T282 PolarHBondContact O-OG1 2.7Å; I257-Q310 HydrophobicContact CD1-CG 4Å
258S94.1Very high93.6Very high23 Ų2334.6 Ų34.616%0.16119%0.194CC..EExtended strand (participates in β ladder)trans-81.5135172.8-168.80000111.3E233E233-S258 VanDerWaalsContact CB-O 3.22Å; E233-S258 WeakPolarHBondContact CB-O 3.24Å; E233-S258 PolarHBondContact N-O 3.5Å; E233-S258 WeakPolarHBondContact OE2-CB 3.35Å
259Y94.2Very high93.3Very high10 Ų1039 Ų394%0.03921%0.214CC..EExtended strand (participates in β ladder)trans-126.3127.6175.4-66.1-94.3000109.4I213 M230 I231 R232 L253 D254 I257 I261 C279 Q280 T282I213-Y259 HydrophobicContact CD1-CD2 3.76Å; I213-Y259 HydrophobicContact CD1-CG 4.08Å; M230-Y259 HydrophobicContact CE-CG 4.45Å; M230-Y259 HydrophobicContact CG-CD1 3.91Å; M230-Y259 HydrophobicContact CG-CG 4.38Å; M230-Y259 HydrophobicContact SD-CD1 3.68Å; M230-Y259 HydrophobicContact SD-CE1 4.44Å; M230-Y259 HydrophobicContact SD-CG 4.04Å; I231-Y259 WeakPolarHBondContact O-CA 3.33Å; R232-Y259 HydrophobicContact CB-CD1 3.88Å; R232-Y259 HydrophobicContact CB-CE1 3.6Å; R232-Y259 HydrophobicContact CG-CD1 4.28Å; R232-Y259 HydrophobicContact CG-CE1 3.69Å; L253-Y259 HydrophobicContact CB-CE2 3.93Å; L253-Y259 HydrophobicContact CD1-CD2 4.28Å; L253-Y259 HydrophobicContact CD1-CE2 4.27Å; L253-Y259 HydrophobicContact CD2-CD1 4.37Å; L253-Y259 HydrophobicContact CD2-CE1 3.94Å; L253-Y259 HydrophobicContact CG-CE2 4.49Å; D254-Y259 WeakPolarHBondContact CB-OH 2.98Å; D254-Y259 PolarHBondContact N-OH 3.39Å; I257-Y259 HydrophobicContact CB-CD2 4.48Å; I257-Y259 HydrophobicContact CB-CE2 3.71Å; I257-Y259 HydrophobicContact CG2-CD2 4.31Å; I257-Y259 HydrophobicContact CG2-CE2 3.74Å; I257-Y259 VanDerWaalsContact O-CD2 3.31Å; I257-Y259 WeakPolarHBondContact O-CD2 3.25Å; I257-Y259 WeakPolarHBondContact O-CE2 3.47Å; Y259-I261 WeakPolarHBondContact O-CD1 3.5Å; Y259-C279 CarbonylContact O-C 3.58Å; Y259-C279 VanDerWaalsContact O-CA 3.28Å; Y259-C279 WeakPolarHBondContact O-CA 3.41Å; Y259-Q280 PolarHBondContact N-O 3.04Å; Y259-Q280 PolarHBondContact O-N 2.73Å; Y259-T282 HydrophobicContact CD2-CG2 4.19Å; Y259-T282 HydrophobicContact CE2-CG2 3.94Å
260C94.6Very high92.8Very high33 Ų3338.6 Ų38.622%0.22322%0.22CC..EExtended strand (participates in β ladder)trans-99.6122.8174.8-64.30000110.1I231 T277 C279I231-C260 PolarHBondContact N-O 2.84Å; I231-C260 PolarHBondContact O-N 2.87Å; C260-T277 HydrophobicContact CB-CG2 4.11Å; C260-C279 HydrophobicContact CB-CB 4.09Å; C260-C279 WeakPolarHBondContact CB-SG 3.22Å; C260-C279 WeakPolarHBondContact SG-CB 3.27Å; C260-C279 CovalentContact SG-SG 2.05Å; C260-C279 PolarHBondContact SG-SG 3.37Å
261I95.4Very high92.6Very high0 Ų042.2 Ų42.20%023%0.234CC..EExtended strand (participates in β ladder)trans-108.4117.8-177.2-53.895.8000108.6M203 T205 I213 V215 L228 I229 M230 F250 Y259 T277 V278M203-I261 WeakPolarHBondContact CE-O 3.46Å; M203-I261 HydrophobicContact SD-CG2 4.18Å; T205-I261 HydrophobicContact CG2-CD1 4.41Å; I213-I261 HydrophobicContact CG2-CD1 4.38Å; V215-I261 HydrophobicContact CG2-CG1 4.41Å; L228-I261 HydrophobicContact CB-CG2 4.19Å; L228-I261 HydrophobicContact CD2-CG2 4Å; L228-I261 HydrophobicContact CG-CG2 4.31Å; I229-I261 WeakPolarHBondContact O-CA 3.46Å; M230-I261 HydrophobicContact CB-CG1 4.21Å; M230-I261 HydrophobicContact CE-CD1 3.89Å; M230-I261 HydrophobicContact CE-CG1 3.57Å; M230-I261 HydrophobicContact CG-CG1 4.21Å; F250-I261 HydrophobicContact CE2-CG2 4.33Å; Y259-I261 WeakPolarHBondContact O-CD1 3.5Å; I261-T277 VanDerWaalsContact O-CA 3.32Å; I261-T277 WeakPolarHBondContact O-CA 3.4Å; I261-V278 PolarHBondContact N-O 2.95Å; I261-V278 PolarHBondContact O-N 3.42Å
262K95.3Very high92.5Very high66 Ų6641.7 Ų41.729%0.28723%0.23SC..EExtended strand (participates in β ladder)trans-99.4115.5173.7175.4175170.51180109.8L228 I229 D275 L276L228-K262 CarbonylContact C-O 3.55Å; L228-K262 WeakPolarHBondContact CA-O 3.39Å; I229-K262 HydrophobicContact CB-CB 4.43Å; I229-K262 PolarHBondContact N-O 2.85Å; I229-K262 PolarHBondContact O-N 2.86Å; K262-D275 HydrophobicContact CD-CB 4.47Å; K262-D275 WeakPolarHBondContact CE-OD1 3.42Å; K262-D275 WeakPolarHBondContact CE-OD2 3.47Å; K262-D275 HydrophobicContact CG-CB 4.12Å; K262-D275 IonicContact NZ-OD1 3.62Å; K262-D275 PolarHBondContact NZ-OD1 2.95Å; K262-D275 IonicContact NZ-OD2 2.85Å; K262-D275 PolarHBondContact NZ-OD2 2.88Å; K262-L276 CarbonylContact C-O 3.55Å; K262-L276 WeakPolarHBondContact CA-O 3.49Å
263G95.2Very high92.4Very high0 Ų035 Ų350%020%0.196CC..EExtended strand (participates in β ladder)trans-106.4136.1-178.500000112.1D275 L276G263-D275 WeakPolarHBondContact O-CA 3.42Å; G263-L276 PolarHBondContact N-O 2.94Å; G263-L276 PolarHBondContact O-N 2.83Å; G263-L276 VanDerWaalsContact O-N 3.08Å
264M94.4Very high92.5Very high23 Ų2335.6 Ų35.611%0.11320%0.199CC..EExtended strand (participates in β ladder)trans-133.6145.1178.4-71.2165.9-7000110Y226 T227 I229 I272 D275Y226-M264 CarbonylContact C-O 3.57Å; Y226-M264 WeakPolarHBondContact CA-O 3.43Å; T227-M264 HydrophobicContact CG2-CE 4.41Å; T227-M264 PolarHBondContact N-O 3.37Å; T227-M264 PolarHBondContact O-N 2.85Å; I229-M264 HydrophobicContact CD1-CE 3.58Å; I229-M264 HydrophobicContact CG1-CE 4Å; M264-I272 HydrophobicContact CB-CG2 4.01Å; M264-I272 HydrophobicContact CG-CG2 4.13Å; M264-I272 HydrophobicContact SD-CG2 3.9Å; M264-D275 HydrophobicContact CG-CB 3.42Å; M264-D275 VanDerWaalsContact CG-CB 3.42Å; M264-D275 HydrophobicContact SD-CB 4.14Å
265A94.7Very high92.5Very high0 Ų035.8 Ų35.80%020%0.2CC..EExtended strand (participates in β ladder)trans-104.3152.9173.300000111V198 V220 A223 Y226 G273V198-A265 HydrophobicContact CG2-CB 3.74Å; V220-A265 HydrophobicContact CB-CB 4.45Å; V220-A265 HydrophobicContact CG1-CB 4.32Å; A223-A265 HydrophobicContact CB-CB 3.91Å; Y226-A265 HydrophobicContact CD1-CB 3.94Å; Y226-A265 HydrophobicContact CE1-CB 3.93Å; A265-G273 PolarHBondContact O-N 2.75Å
266W93.3Very high92.5Very high60 Ų6037.3 Ų37.323%0.22721%0.206CC..EExtended strand (participates in β ladder)trans-123.8135.8177.9-60.373.7000110.7A223 I224 R225 T227 G270 R271 I272A223-W266 CarbonylContact C-O 3.58Å; A223-W266 VanDerWaalsContact CA-O 3.29Å; A223-W266 WeakPolarHBondContact CA-O 3.29Å; I224-W266 PolarHBondContact N-O 2.83Å; R225-W266 HydrophobicContact CB-CB 4.24Å; R225-W266 PolarHBondContact O-N 2.9Å; T227-W266 PolarHBondContact OG1-NE1 2.97Å; W266-G270 WeakPolarHBondContact CZ3-O 3.38Å; W266-R271 WeakPolarHBondContact CA-O 3.12Å; W266-I272 HydrophobicContact CD2-CG1 4.1Å; W266-I272 HydrophobicContact CE3-CG1 3.8Å; W266-I272 HydrophobicContact CH2-CD1 3.61Å; W266-I272 HydrophobicContact CH2-CG1 3.52Å; W266-I272 HydrophobicContact CZ2-CD1 3.94Å; W266-I272 HydrophobicContact CZ2-CG1 3.82Å; W266-I272 HydrophobicContact CZ3-CD1 4.07Å; W266-I272 HydrophobicContact CZ3-CG1 3.49Å; W266-I272 VanDerWaalsContact CZ3-CG1 3.49Å
267D91.1Very high92.6Very high0 Ų040.5 Ų40.50%023%0.225CC..  trans-85.2175173.265.924.7000113.4Y170 V198 I224 E269 G270 R271Y170-D267 HydrophobicContact CD2-CB 4.32Å; Y170-D267 HydrophobicContact CE2-CB 3.61Å; V198-D267 HydrophobicContact CG1-CB 4.14Å; I224-D267 WeakPolarHBondContact CG1-O 3.19Å; D267-E269 PolarHBondContact O-N 2.94Å; D267-E269 WeakPolarHBondContact OD1-CA 3.01Å; D267-E269 PolarHBondContact OD1-N 2.83Å; D267-E269 VanDerWaalsContact OD1-N 3.1Å; D267-G270 PolarHBondContact O-N 2.84Å; D267-G270 PolarHBondContact OD1-N 2.97Å; D267-R271 PolarHBondContact N-O 3.43Å; D267-R271 PolarHBondContact OD1-N 2.84Å; D267-R271 IonicContact OD1-NE 4Å; D267-R271 IonicContact OD2-CZ 3.43Å; D267-R271 IonicContact OD2-NE 2.66Å; D267-R271 PolarHBondContact OD2-NE 2.93Å; D267-R271 IonicContact OD2-NH2 3.26Å; D267-R271 PolarHBondContact OD2-NH2 3.5Å
268A89.1Confident92.7Very high65 Ų6541.7 Ų41.754%0.53723%0.233SC..THydrogen-bonded Turntrans-62.8-23.1-179.500000113.8I224 G270I224-A268 HydrophobicContact CG2-CB 4.24Å; A268-G270 VanDerWaalsContact C-N 3.31Å
269E87.3Confident92.7Very high103 Ų10343.8 Ų43.848%0.48125%0.247SC..THydrogen-bonded Turntrans-86.1-1.7175.7-66.191.5-128.400112.8R195 D267 R271R195-E269 IonicContact NH1-OE1 2.69Å; R195-E269 IonicContact NH1-OE2 3.36Å; R195-E269 PolarHBondContact NH1-OE2 2.83Å; D267-E269 PolarHBondContact O-N 2.94Å; D267-E269 WeakPolarHBondContact OD1-CA 3.01Å; D267-E269 PolarHBondContact OD1-N 2.83Å; D267-E269 VanDerWaalsContact OD1-N 3.1Å; E269-R271 IonicContact OE2-CZ 3.48Å; E269-R271 IonicContact OE2-NH1 2.64Å; E269-R271 IonicContact OE2-NH2 2.8Å; E269-R271 PolarHBondContact OE2-NH2 3.08Å
270G85.9Confident92.7Very high43 Ų4344.9 Ų44.944%0.44325%0.252SS..  trans78.220.1178.800000114.3W266 D267 A268W266-G270 WeakPolarHBondContact CZ3-O 3.38Å; D267-G270 PolarHBondContact O-N 2.84Å; D267-G270 PolarHBondContact OD1-N 2.97Å; A268-G270 VanDerWaalsContact C-N 3.31Å
271R89Confident92.7Very high81 Ų8145.2 Ų45.231%0.30625%0.251SS..  trans-84.3146.9172.2-56176.2-62.3-141.4-9.7110.2V197 W266 D267 E269V197-R271 HydrophobicContact CG1-CB 4.44Å; W266-R271 WeakPolarHBondContact CA-O 3.12Å; D267-R271 PolarHBondContact N-O 3.43Å; D267-R271 PolarHBondContact OD1-N 2.84Å; D267-R271 IonicContact OD1-NE 4Å; D267-R271 IonicContact OD2-CZ 3.43Å; D267-R271 IonicContact OD2-NE 2.66Å; D267-R271 PolarHBondContact OD2-NE 2.93Å; D267-R271 IonicContact OD2-NH2 3.26Å; D267-R271 PolarHBondContact OD2-NH2 3.5Å; E269-R271 IonicContact OE2-CZ 3.48Å; E269-R271 IonicContact OE2-NH1 2.64Å; E269-R271 IonicContact OE2-NH2 2.8Å; E269-R271 PolarHBondContact OE2-NH2 3.08Å
272I91.4Very high92.7Very high78 Ų7845.2 Ų45.240%0.425%0.251SS..EExtended strand (participates in β ladder)trans-87.4130.8177.5-51.1176.2000108.4M264 W266M264-I272 HydrophobicContact CB-CG2 4.01Å; M264-I272 HydrophobicContact CG-CG2 4.13Å; M264-I272 HydrophobicContact SD-CG2 3.9Å; W266-I272 HydrophobicContact CD2-CG1 4.1Å; W266-I272 HydrophobicContact CE3-CG1 3.8Å; W266-I272 HydrophobicContact CH2-CD1 3.61Å; W266-I272 HydrophobicContact CH2-CG1 3.52Å; W266-I272 HydrophobicContact CZ2-CD1 3.94Å; W266-I272 HydrophobicContact CZ2-CG1 3.82Å; W266-I272 HydrophobicContact CZ3-CD1 4.07Å; W266-I272 HydrophobicContact CZ3-CG1 3.49Å; W266-I272 VanDerWaalsContact CZ3-CG1 3.49Å
273G91.4Very high92.6Very high8 Ų845.3 Ų45.38%0.08225%0.25CC..EExtended strand (participates in β ladder)trans-74.4-169.7171.700000114.2V198 A265V198-G273 CarbonylContact O-C 3.52Å; V198-G273 WeakPolarHBondContact O-CA 3.46Å; A265-G273 PolarHBondContact O-N 2.75Å
274D93.8Very high92.6Very high30 Ų3045.3 Ų45.316%0.1625%0.25CC..EExtended strand (participates in β ladder)trans-59.6159.5166.1-72.5-47.9000111.5N123 S124 V198 A200N123-D274 WeakPolarHBondContact CA-OD1 3.42Å; N123-D274 WeakPolarHBondContact CB-OD1 3.36Å; N123-D274 PolarHBondContact ND2-OD1 2.97Å; S124-D274 WeakPolarHBondContact CB-OD2 3.37Å; S124-D274 PolarHBondContact N-OD1 2.99Å; S124-D274 PolarHBondContact N-OD2 2.84Å; S124-D274 PolarHBondContact OG-OD2 2.85Å; V198-D274 PolarHBondContact O-N 2.6Å; A200-D274 WeakPolarHBondContact CA-O 3.31Å; A200-D274 HydrophobicContact CB-CB 3.94Å; A200-D274 WeakPolarHBondContact CB-O 3.49Å
275D93.3Very high92.6Very high73 Ų7347.3 Ų47.339%0.3926%0.261SS..EExtended strand (participates in β ladder)trans-115.7149.8173.481-111.1000113.1K262 G263 M264K262-D275 HydrophobicContact CD-CB 4.47Å; K262-D275 WeakPolarHBondContact CE-OD1 3.42Å; K262-D275 WeakPolarHBondContact CE-OD2 3.47Å; K262-D275 HydrophobicContact CG-CB 4.12Å; K262-D275 IonicContact NZ-OD1 3.62Å; K262-D275 PolarHBondContact NZ-OD1 2.95Å; K262-D275 IonicContact NZ-OD2 2.85Å; K262-D275 PolarHBondContact NZ-OD2 2.88Å; G263-D275 WeakPolarHBondContact O-CA 3.42Å; M264-D275 HydrophobicContact CG-CB 3.42Å; M264-D275 VanDerWaalsContact CG-CB 3.42Å; M264-D275 HydrophobicContact SD-CB 4.14Å
276L93.6Very high92.5Very high69 Ų6949.6 Ų49.636%0.36128%0.277SS..EExtended strand (participates in β ladder)trans-129.8136.7172.7-178.664.9000109.2A200 M203 K262 G263 V278A200-L276 HydrophobicContact CB-CB 3.83Å; M203-L276 WeakPolarHBondContact CE-O 3.17Å; K262-L276 CarbonylContact C-O 3.55Å; K262-L276 WeakPolarHBondContact CA-O 3.49Å; G263-L276 PolarHBondContact N-O 2.94Å; G263-L276 PolarHBondContact O-N 2.83Å; G263-L276 VanDerWaalsContact O-N 3.08Å; L276-V278 HydrophobicContact CD2-CG2 4.45Å; L276-V278 HydrophobicContact CG-CG2 4.39Å
277T94.6Very high92.6Very high73 Ų7346.7 Ų46.745%0.44827%0.266SS..EExtended strand (participates in β ladder)trans-113129.5175.7-56.20000110.7C260 I261C260-T277 HydrophobicContact CB-CG2 4.11Å; I261-T277 VanDerWaalsContact O-CA 3.32Å; I261-T277 WeakPolarHBondContact O-CA 3.4Å
278V94.6Very high92.6Very high37 Ų3751 Ų5122%0.22429%0.289CS..EExtended strand (participates in β ladder)trans-128.4136.9175.7-179.50000108.3M203 T205 I261 L276M203-V278 HydrophobicContact CB-CG2 4.33Å; M203-V278 HydrophobicContact CE-CG2 4.25Å; T205-V278 HydrophobicContact CG2-CB 4.29Å; T205-V278 HydrophobicContact CG2-CG1 3.81Å; I261-V278 PolarHBondContact N-O 2.95Å; I261-V278 PolarHBondContact O-N 3.42Å; L276-V278 HydrophobicContact CD2-CG2 4.45Å; L276-V278 HydrophobicContact CG-CG2 4.39Å
279C93.9Very high92.8Very high67 Ų6749.1 Ų49.145%0.45327%0.271SS..EExtended strand (participates in β ladder)trans-110140.5177.9-50.10000111.2Y259 C260Y259-C279 CarbonylContact O-C 3.58Å; Y259-C279 VanDerWaalsContact O-CA 3.28Å; Y259-C279 WeakPolarHBondContact O-CA 3.41Å; C260-C279 HydrophobicContact CB-CB 4.09Å; C260-C279 WeakPolarHBondContact CB-SG 3.22Å; C260-C279 WeakPolarHBondContact SG-CB 3.27Å; C260-C279 CovalentContact SG-SG 2.05Å; C260-C279 PolarHBondContact SG-SG 3.37Å
280Q94.6Very high92.9Very high34 Ų3447.9 Ų47.916%0.15927%0.27CS..EExtended strand (participates in β ladder)trans-138.9139179.4178.358.6-68.300110T205 I213 Y259T205-Q280 PolarHBondContact O-NE2 2.99Å; I213-Q280 HydrophobicContact CD1-CB 4.16Å; I213-Q280 HydrophobicContact CD1-CG 4.16Å; I213-Q280 HydrophobicContact CG1-CG 4.19Å; I213-Q280 HydrophobicContact CG2-CB 4.34Å; I213-Q280 HydrophobicContact CG2-CG 4.18Å; Y259-Q280 PolarHBondContact N-O 3.04Å; Y259-Q280 PolarHBondContact O-N 2.73Å
281I94.8Very high93.1Very high40 Ų4050.4 Ų50.421%0.20527%0.27CS..EExtended strand (participates in β ladder)trans-90.5140.7173.9-163.7171000109.8S207 I257 A353S207-I281 WeakPolarHBondContact CB-O 3.47Å; I257-I281 WeakPolarHBondContact O-CA 3.3Å; I281-A353 HydrophobicContact CG2-CB 3.94Å; I281-A353 VanDerWaalsContact O-CB 3.32Å; I281-A353 WeakPolarHBondContact O-CB 3.05Å
282T94.9Very high93.1Very high0 Ų048 Ų480%027%0.265CS..PPolyproline II helixtrans-70156.4167.245.20000110.8S207 N210 I213 L253 D254 G256 I257 Y259 N351S207-T282 WeakPolarHBondContact OG-CA 3.41Å; N210-T282 WeakPolarHBondContact O-CB 3.46Å; I213-T282 HydrophobicContact CD1-CG2 4.07Å; I213-T282 HydrophobicContact CG1-CG2 4Å; L253-T282 HydrophobicContact CB-CG2 3.89Å; L253-T282 HydrophobicContact CD1-CG2 3.97Å; D254-T282 PolarHBondContact O-OG1 3.4Å; G256-T282 PolarHBondContact N-OG1 2.79Å; I257-T282 PolarHBondContact N-OG1 3.39Å; I257-T282 PolarHBondContact O-N 2.64Å; I257-T282 PolarHBondContact O-OG1 2.7Å; Y259-T282 HydrophobicContact CD2-CG2 4.19Å; Y259-T282 HydrophobicContact CE2-CG2 3.94Å; T282-N351 PolarHBondContact O-ND2 2.7Å
283R94.3Very high93.1Very high68 Ų6848 Ų4826%0.25727%0.265SS..PPolyproline II helixtrans-62.1153.5171.8-64.7174.8174.1-143.28.6110.6S207 P208 N210 G256 A353 P355S207-R283 PolarHBondContact O-NE 3Å; S207-R283 PolarHBondContact OG-N 2.87Å; P208-R283 PolarHBondContact O-NE 2.88Å; N210-R283 HydrophobicContact CB-CB 4.4Å; G256-R283 PolarHBondContact N-O 2.85Å; R283-A353 HydrophobicContact CG-CB 3.95Å; R283-P355 WeakPolarHBondContact CD-O 3.45Å; R283-P355 PolarHBondContact NH1-O 3.19Å; R283-P355 VanDerWaalsContact NH1-O 3.17Å
284P95.4Very high92.8Very high0 Ų049.3 Ų49.30%027%0.27CS..PPolyproline II helixtrans-67159.5177.9-12.428.6000110.8V309 A312 A349 N351 S356P284-V309 HydrophobicContact CB-CG2 3.74Å; P284-A312 HydrophobicContact CB-CB 4.09Å; P284-A312 HydrophobicContact CG-CB 4.18Å; P284-A349 HydrophobicContact CB-CB 3.86Å; P284-A349 HydrophobicContact CG-CB 4.25Å; P284-N351 HydrophobicContact CG-CB 3.88Å; P284-S356 WeakPolarHBondContact O-CB 3.48Å
285D94.6Very high92.3Very high65 Ų6550 Ų5035%0.34828%0.275SS..PPolyproline II helixtrans-72.7165.4173.4-149.95.7000112N210 P255 P287 V309 S356N210-D285 PolarHBondContact ND2-OD1 2.93Å; P255-D285 HydrophobicContact CB-CB 3.83Å; P255-D285 HydrophobicContact CG-CB 3.77Å; D285-P287 WeakPolarHBondContact O-CD 2.86Å; D285-V309 HydrophobicContact CB-CB 4.42Å; D285-V309 HydrophobicContact CB-CG1 4.32Å; D285-S356 VanDerWaalsContact O-CB 3.27Å; D285-S356 WeakPolarHBondContact O-CB 3.25Å
286S92.4Very high91Very high47 Ų4751 Ų5133%0.32929%0.286SS..PPolyproline II helixtrans-69.2124.1173.6550000110.7S357S286-S357 WeakPolarHBondContact CB-O 3.48Å
287P94.4Very high89.6Confident0 Ų050.3 Ų50.30%030%0.296CS..PPolyproline II helixtrans-74.7144.5179.730.1-34.1000112D285 V309 Y315 V347 A349 S359D285-P287 WeakPolarHBondContact O-CD 2.86Å; P287-V309 HydrophobicContact CB-CG1 4Å; P287-Y315 HydrophobicContact CB-CD1 4.49Å; P287-Y315 HydrophobicContact CB-CE1 4.26Å; P287-Y315 HydrophobicContact CG-CD1 4.46Å; P287-V347 HydrophobicContact CB-CG1 4.44Å; P287-V347 HydrophobicContact CG-CB 3.97Å; P287-V347 HydrophobicContact CG-CG1 3.77Å; P287-V347 WeakPolarHBondContact CG-O 3.31Å; P287-A349 HydrophobicContact CG-CB 4.37Å; P287-S359 WeakPolarHBondContact O-CB 3.21Å
288D92Very high88.3Confident91 Ų9159.6 Ų59.649%0.48732%0.322SS..PPolyproline II helixtrans-92.7122.7174.2-81.6-33.3000111.5T290 W306 M307D288-T290 PolarHBondContact O-N 2.87Å; D288-W306 CarbonylContact O-C 3.51Å; D288-W306 WeakPolarHBondContact O-CA 3.42Å; D288-W306 VanDerWaalsContact O-CB 3.22Å; D288-W306 WeakPolarHBondContact O-CB 3.43Å; D288-M307 HydrophobicContact CB-CE 3.65Å; D288-M307 PolarHBondContact O-N 3.08Å
289V92.3Very high87.4Confident25 Ų2560.6 Ų60.615%0.15233%0.331CS..EExtended strand (participates in β ladder)trans-74.8121.7172.9178.40000109.1V292 V304 V347 V362V289-V292 HydrophobicContact CG1-CG2 4.26Å; V289-V304 HydrophobicContact CG1-CG1 4.05Å; V289-V347 HydrophobicContact CG2-CB 4.22Å; V289-V347 HydrophobicContact CG2-CG2 3.58Å; V289-V362 HydrophobicContact CB-CG2 3.76Å; V289-V362 HydrophobicContact CG1-CB 4.2Å; V289-V362 HydrophobicContact CG1-CG2 3.82Å; V289-V362 HydrophobicContact CG2-CG2 4.47Å
290T90.2Very high87Confident77 Ų7758.1 Ų58.147%0.47231%0.313SS..EExtended strand (participates in β ladder)trans-88.3-41.6-175.4580000112.7D288 Y305 M307D288-T290 PolarHBondContact O-N 2.87Å; T290-Y305 PolarHBondContact N-O 3.4Å; T290-Y305 VanDerWaalsContact OG1-C 3.29Å; T290-Y305 WeakPolarHBondContact OG1-CB 3.33Å; T290-Y305 PolarHBondContact OG1-O 3.32Å; T290-M307 HydrophobicContact CG2-CG 3.63Å
291Q88.8Confident86.7Confident95 Ų9556.6 Ų56.644%0.44431%0.307SS..EExtended strand (participates in β ladder)trans-163.3154.3178.656.7-177.3-17.600111.1L293 Y305Q291-L293 HydrophobicContact CG-CG 4.42Å; Q291-Y305 HydrophobicContact CG-CD2 3.93Å; Q291-Y305 HydrophobicContact CG-CG 4.21Å; Q291-Y305 PolarHBondContact N-O 3.47Å; Q291-Y305 PolarHBondContact O-N 3.01Å
292V91Very high86.5Confident31 Ų3154.7 Ų54.719%0.18830%0.297CS..EExtended strand (participates in β ladder)trans-119.8121.7168.4-176.70000107.1V289 I302 A303 V304 V345 V362 Y364V289-V292 HydrophobicContact CG1-CG2 4.26Å; V292-I302 HydrophobicContact CG1-CB 4.18Å; V292-I302 HydrophobicContact CG1-CD1 4.44Å; V292-I302 HydrophobicContact CG1-CG2 4.21Å; V292-A303 WeakPolarHBondContact CA-O 3.31Å; V292-V304 HydrophobicContact CG1-CG2 4.34Å; V292-V304 HydrophobicContact CG2-CG1 4.38Å; V292-V304 HydrophobicContact CG2-CG2 4.42Å; V292-V345 HydrophobicContact CG2-CG2 3.65Å; V292-V362 HydrophobicContact CG2-CG1 3.98Å; V292-Y364 HydrophobicContact CG1-CD1 4.39Å; V292-Y364 HydrophobicContact CG1-CG 4.07Å
293L89.6Confident86.4Confident77 Ų7754.7 Ų54.740%0.40330%0.297SS..EExtended strand (participates in β ladder)trans-115.9135.5-179.2-63177.7000109.8Q291 I302 A303 Y305Q291-L293 HydrophobicContact CG-CG 4.42Å; L293-I302 CarbonylContact O-C 3.53Å; L293-I302 WeakPolarHBondContact O-CA 3.1Å; L293-A303 PolarHBondContact N-O 2.73Å; L293-A303 PolarHBondContact O-N 2.99Å; L293-Y305 HydrophobicContact CD1-CE2 3.96Å; L293-Y305 HydrophobicContact CG-CE2 4.39Å
294L86.6Confident86.4Confident36 Ų3651.5 Ų51.519%0.18829%0.285CS..EExtended strand (participates in β ladder)trans-74.1132169.5-72.3161.9000109.7L300 I302 T366 Y367 A438L294-L300 HydrophobicContact CD2-CD1 4.14Å; L294-I302 HydrophobicContact CD2-CG2 3.69Å; L294-I302 HydrophobicContact CG-CG2 4.48Å; L294-T366 HydrophobicContact CD2-CG2 4.36Å; L294-Y367 HydrophobicContact CB-CE2 4.12Å; L294-Y367 HydrophobicContact CD1-CD1 4.34Å; L294-Y367 HydrophobicContact CD1-CD2 4.43Å; L294-Y367 HydrophobicContact CD1-CE1 4.12Å; L294-Y367 HydrophobicContact CD1-CE2 4.18Å; L294-Y367 HydrophobicContact CD1-CG 4.48Å; L294-A438 HydrophobicContact CD1-CB 3.28Å
295T81.8Confident86.4Confident44 Ų4454.7 Ų54.727%0.2730%0.297SS..EExtended strand (participates in β ladder)trans-106.7110.3177.447.80000110.1G297 G301 A303 F333T295-G297 PolarHBondContact O-N 2.63Å; T295-G301 PolarHBondContact N-O 2.91Å; T295-G301 PolarHBondContact O-N 2.84Å; T295-G301 VanDerWaalsContact OG1-C 3.26Å; T295-G301 PolarHBondContact OG1-O 3.35Å; T295-A303 HydrophobicContact CG2-CB 3.74Å; T295-F333 HydrophobicContact CG2-CD1 4.25Å; T295-F333 HydrophobicContact CG2-CE1 4.07Å
296P66.6Low86.4Confident96 Ų9652 Ų5262%0.62328%0.282SS*.EExtended strand (participates in β ladder)trans-72.8114.4172.328.4-32.1000109.6L442P296-L442 HydrophobicContact CB-CD2 4.41Å
297G65.3Low86.4Confident54 Ų5454.9 Ų54.956%0.55729%0.292SS*.SBendtrans-132.8-157.3176.100000111.8T295 S299T295-G297 PolarHBondContact O-N 2.63Å; G297-S299 CarbonylContact C-O 3.58Å; G297-S299 PolarHBondContact O-N 3.22Å
298R66.6Low86.3Confident268 Ų26859.2 Ų59.2100%1.01132%0.319SS*.SBendtrans-66.4-29.3170.1-73.2-171.3177.4-159.5-0.2112.7
299S76.6Confident86.4Confident58 Ų5856.1 Ų56.141%0.40630%0.303SS..SBendtrans-122.5156.8166.948.80000107.9G297G297-S299 CarbonylContact C-O 3.58Å; G297-S299 PolarHBondContact O-N 3.22Å
300L83.5Confident86.4Confident15 Ų1561.3 Ų61.38%0.07933%0.325CS..EExtended strand (participates in β ladder)trans-64.9136.6171.1-175.262.7000109.6L294 P336 Q337 T366 Y367 L442L294-L300 HydrophobicContact CD2-CD1 4.14Å; L300-P336 CarbonylContact O-C 3.6Å; L300-P336 WeakPolarHBondContact O-CA 3.06Å; L300-Q337 HydrophobicContact CB-CB 4.31Å; L300-Q337 HydrophobicContact CD2-CB 3.93Å; L300-Q337 HydrophobicContact CG-CB 3.94Å; L300-Q337 PolarHBondContact O-N 3.26Å; L300-T366 HydrophobicContact CD2-CG2 4.14Å; L300-Y367 HydrophobicContact CD1-CD2 3.37Å; L300-Y367 HydrophobicContact CD1-CE2 3.42Å; L300-Y367 VanDerWaalsContact CD1-CE2 3.42Å; L300-Y367 HydrophobicContact CD2-CD2 4.4Å; L300-L442 HydrophobicContact CB-CD1 4.48Å; L300-L442 HydrophobicContact CD1-CD1 4.34Å
301G88.7Confident86.4Confident2 Ų258.9 Ų58.92%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-139.3166.9174.100000111.9T295 I334T295-G301 PolarHBondContact N-O 2.91Å; T295-G301 PolarHBondContact O-N 2.84Å; T295-G301 VanDerWaalsContact OG1-C 3.26Å; T295-G301 PolarHBondContact OG1-O 3.35Å; G301-I334 WeakPolarHBondContact CA-O 3.46Å
302I91.5Very high86.7Confident0 Ų055.5 Ų55.50%030%0.304CS..EExtended strand (participates in β ladder)trans-116.9147.6164.652.3165.7000110.4V292 L293 L294 V304 F333 I334 Q337 V345 Y364V292-I302 HydrophobicContact CG1-CB 4.18Å; V292-I302 HydrophobicContact CG1-CD1 4.44Å; V292-I302 HydrophobicContact CG1-CG2 4.21Å; L293-I302 CarbonylContact O-C 3.53Å; L293-I302 WeakPolarHBondContact O-CA 3.1Å; L294-I302 HydrophobicContact CD2-CG2 3.69Å; L294-I302 HydrophobicContact CG-CG2 4.48Å; I302-V304 HydrophobicContact CD1-CG2 4.02Å; I302-F333 CarbonylContact O-C 3.58Å; I302-F333 VanDerWaalsContact O-CA 3.26Å; I302-F333 WeakPolarHBondContact O-CA 3.16Å; I302-I334 HydrophobicContact CD1-CB 4.26Å; I302-I334 HydrophobicContact CD1-CD1 4.33Å; I302-I334 HydrophobicContact CG1-CB 3.89Å; I302-I334 PolarHBondContact N-O 2.81Å; I302-I334 PolarHBondContact O-N 2.85Å; I302-Q337 HydrophobicContact CG1-CG 4.29Å; I302-Q337 HydrophobicContact CG2-CG 4.3Å; I302-V345 HydrophobicContact CD1-CG1 3.85Å; I302-Y364 HydrophobicContact CD1-CE1 4.03Å; I302-Y364 HydrophobicContact CD1-CE2 4.06Å; I302-Y364 HydrophobicContact CG2-CD2 3.86Å; I302-Y364 HydrophobicContact CG2-CE2 3.73Å
303A92.3Very high86.8Confident0 Ų058.6 Ų58.60%032%0.319CS..EExtended strand (participates in β ladder)trans-112118.9166.800000108.5V292 L293 T295 Y305 C332 F333V292-A303 WeakPolarHBondContact CA-O 3.31Å; L293-A303 PolarHBondContact N-O 2.73Å; L293-A303 PolarHBondContact O-N 2.99Å; T295-A303 HydrophobicContact CG2-CB 3.74Å; A303-Y305 HydrophobicContact CB-CD2 4.42Å; A303-Y305 HydrophobicContact CB-CE2 3.57Å; A303-C332 WeakPolarHBondContact CA-O 3.39Å; A303-F333 HydrophobicContact CB-CD1 3.56Å; A303-F333 HydrophobicContact CB-CE1 3.51Å
304V94.4Very high87.1Confident0 Ų056.4 Ų56.40%031%0.31CS..EExtended strand (participates in β ladder)trans-102.8133.3177.7-1740000108V289 V292 I302 W306 V317 Y331 C332 V345 V347V289-V304 HydrophobicContact CG1-CG1 4.05Å; V292-V304 HydrophobicContact CG1-CG2 4.34Å; V292-V304 HydrophobicContact CG2-CG1 4.38Å; V292-V304 HydrophobicContact CG2-CG2 4.42Å; I302-V304 HydrophobicContact CD1-CG2 4.02Å; V304-W306 HydrophobicContact CB-CZ3 4.23Å; V304-W306 HydrophobicContact CG1-CE3 4.09Å; V304-W306 HydrophobicContact CG1-CZ3 4.23Å; V304-W306 VanDerWaalsContact O-CZ3 3.25Å; V304-W306 WeakPolarHBondContact O-CZ3 3.19Å; V304-V317 HydrophobicContact CB-CG1 4.16Å; V304-V317 HydrophobicContact CG1-CG1 4.17Å; V304-V317 HydrophobicContact CG2-CG1 4.02Å; V304-Y331 CarbonylContact O-C 3.6Å; V304-Y331 WeakPolarHBondContact O-CA 3.49Å; V304-Y331 WeakPolarHBondContact O-CB 2.99Å; V304-C332 PolarHBondContact N-O 3.12Å; V304-C332 PolarHBondContact O-N 3.42Å; V304-V345 HydrophobicContact CG1-CG2 4.08Å; V304-V345 HydrophobicContact CG2-CB 4.41Å; V304-V345 HydrophobicContact CG2-CG1 4.08Å; V304-V345 HydrophobicContact CG2-CG2 4.13Å; V304-V347 HydrophobicContact CG1-CG2 4.15Å
305Y94.6Very high87.5Confident67 Ų6755 Ų5526%0.26330%0.302SS..EExtended strand (participates in β ladder)trans-124.8137.8-179.2-64.3-94.9000110.5T290 Q291 L293 A303 Y331T290-Y305 PolarHBondContact N-O 3.4Å; T290-Y305 VanDerWaalsContact OG1-C 3.29Å; T290-Y305 WeakPolarHBondContact OG1-CB 3.33Å; T290-Y305 PolarHBondContact OG1-O 3.32Å; Q291-Y305 HydrophobicContact CG-CD2 3.93Å; Q291-Y305 HydrophobicContact CG-CG 4.21Å; Q291-Y305 PolarHBondContact N-O 3.47Å; Q291-Y305 PolarHBondContact O-N 3.01Å; L293-Y305 HydrophobicContact CD1-CE2 3.96Å; L293-Y305 HydrophobicContact CG-CE2 4.39Å; A303-Y305 HydrophobicContact CB-CD2 4.42Å; A303-Y305 HydrophobicContact CB-CE2 3.57Å; Y305-Y331 VanDerWaalsContact CD1-CB 3.43Å; Y305-Y331 HydrophobicContact CD1-CG 4.33Å; Y305-Y331 HydrophobicContact CE1-CG 4.04Å
306W95.1Very high88.2Confident8 Ų855.1 Ų55.13%0.0330%0.301CS..EExtended strand (participates in β ladder)trans-139.9164.5-179.956.292.6000112.5D288 V304 Y315 V317 T327 D329 S330 C332 V347D288-W306 CarbonylContact O-C 3.51Å; D288-W306 WeakPolarHBondContact O-CA 3.42Å; D288-W306 VanDerWaalsContact O-CB 3.22Å; D288-W306 WeakPolarHBondContact O-CB 3.43Å; V304-W306 HydrophobicContact CB-CZ3 4.23Å; V304-W306 HydrophobicContact CG1-CE3 4.09Å; V304-W306 HydrophobicContact CG1-CZ3 4.23Å; V304-W306 VanDerWaalsContact O-CZ3 3.25Å; V304-W306 WeakPolarHBondContact O-CZ3 3.19Å; W306-Y315 AromaticContact CD1-CD1 3.82Å; W306-Y315 AromaticContact CD1-CE1 3.85Å; W306-Y315 AromaticContact CE2-CG 3.73Å; W306-Y315 VanDerWaalsContact CZ2-CB 3.47Å; W306-Y315 HydrophobicContact CZ2-CD2 4.14Å; W306-Y315 AromaticContact CZ2-CG 3.81Å; W306-Y315 HydrophobicContact CZ2-CG 3.81Å; W306-Y315 AromaticContact NE1-CD1 3.23Å; W306-Y315 AromaticContact NE1-CD2 3.54Å; W306-Y315 AromaticContact NE1-CE1 3.54Å; W306-Y315 AromaticContact NE1-CE2 3.87Å; W306-Y315 AromaticContact NE1-CG 3.23Å; W306-Y315 AromaticContact NE1-CZ 3.87Å; W306-V317 HydrophobicContact CE3-CG2 4.31Å; W306-V317 HydrophobicContact CH2-CG2 3.43Å; W306-V317 VanDerWaalsContact CH2-CG2 3.43Å; W306-V317 HydrophobicContact CZ2-CG2 4.43Å; W306-V317 HydrophobicContact CZ3-CG2 3.36Å; W306-T327 HydrophobicContact CH2-CG2 3.61Å; W306-T327 HydrophobicContact CZ2-CG2 3.53Å; W306-D329 WeakPolarHBondContact CZ2-O 3.28Å; W306-S330 PolarHBondContact N-O 2.88Å; W306-C332 HydrophobicContact CH2-CB 3.67Å; W306-C332 HydrophobicContact CZ3-CB 4.1Å; W306-V347 HydrophobicContact CD2-CG1 3.9Å; W306-V347 HydrophobicContact CD2-CG2 4.26Å; W306-V347 HydrophobicContact CE3-CG1 4.24Å; W306-V347 HydrophobicContact CE3-CG2 3.88Å; W306-V347 HydrophobicContact CG-CG1 4.14Å; W306-V347 HydrophobicContact CZ2-CG1 4.49Å; W306-V347 HydrophobicContact CZ3-CG2 4.36Å
307M93Very high89.5Confident108 Ų10850.5 Ų50.553%0.53227%0.271SS..PPolyproline II helixtrans-79.2131.4168.2-64.2-169.3-69.700109.9D288 T290D288-M307 HydrophobicContact CB-CE 3.65Å; D288-M307 PolarHBondContact O-N 3.08Å; T290-M307 HydrophobicContact CG2-CG 3.63Å
308T92.6Very high90.9Very high92 Ų9251.7 Ų51.756%0.56426%0.264SS*.PPolyproline II helixtrans-72.2131.5177.552.50000110.9Y315T308-Y315 VanDerWaalsContact CA-OH 3.24Å; T308-Y315 WeakPolarHBondContact CA-OH 3.13Å; T308-Y315 WeakPolarHBondContact CB-OH 3.41Å; T308-Y315 HydrophobicContact CG2-CE2 4.34Å
309V94.1Very high92.2Very high25 Ų2539.1 Ų39.115%0.15222%0.218CC..PPolyproline II helixtrans-92.2154.1176.2-58.10000111.1P284 D285 P287 A312 Y315 A349P284-V309 HydrophobicContact CB-CG2 3.74Å; D285-V309 HydrophobicContact CB-CB 4.42Å; D285-V309 HydrophobicContact CB-CG1 4.32Å; P287-V309 HydrophobicContact CB-CG1 4Å; V309-A312 HydrophobicContact CG2-CB 3.72Å; V309-Y315 HydrophobicContact CG2-CE1 4.18Å; V309-Y315 PolarHBondContact N-OH 3.31Å; V309-Y315 PolarHBondContact O-OH 2.86Å; V309-A349 HydrophobicContact CG2-CB 3.64Å
310Q91.8Very high93Very high135 Ų13539.7 Ų39.763%0.63122%0.222SC*.THydrogen-bonded Turntrans-65.9144.5179.4-171.9159.80.100111.3G256 I257 A312G256-Q310 WeakPolarHBondContact CA-O 3.38Å; I257-Q310 HydrophobicContact CD1-CG 4Å; Q310-A312 PolarHBondContact O-N 2.89Å; Q310-A312 VanDerWaalsContact O-N 3.17Å
311G89.9Confident93.2Very high25 Ų2541.9 Ų41.926%0.25823%0.234SC..THydrogen-bonded Turntrans699174.800000116.2G256 N351G256-G311 WeakPolarHBondContact O-CA 3.28Å; G311-N351 WeakPolarHBondContact O-CB 3.2Å; G311-N351 PolarHBondContact O-ND2 2.86Å
312A94.6Very high93.1Very high24 Ų2444.5 Ų44.520%0.19826%0.261CS..  trans-86.6137172.900000112P284 V309 Q310 Y315 A349P284-A312 HydrophobicContact CB-CB 4.09Å; P284-A312 HydrophobicContact CG-CB 4.18Å; V309-A312 HydrophobicContact CG2-CB 3.72Å; Q310-A312 PolarHBondContact O-N 2.89Å; Q310-A312 VanDerWaalsContact O-N 3.17Å; A312-Y315 HydrophobicContact CB-CE1 4.24Å; A312-Y315 HydrophobicContact CB-CE2 4.41Å; A312-A349 HydrophobicContact CB-CB 3.96Å
313N93.6Very high93.1Very high96 Ų9647.2 Ų47.251%0.51327%0.273SS..SBendtrans-98.7-30.1178-64.7-16.6000112.1Y350 N352N313-Y350 PolarHBondContact N-O 2.86Å; N313-N352 PolarHBondContact ND2-OD1 2.89Å
314S95.4Very high93.2Very high31 Ų3150.6 Ų50.622%0.21730%0.297CS..EExtended strand (participates in β ladder)trans-154.7163.2178.5660000111.8T327 Y350S314-T327 CarbonylContact C-O 3.59Å; S314-T327 VanDerWaalsContact CA-O 3.29Å; S314-T327 WeakPolarHBondContact CA-O 3.07Å; S314-T327 WeakPolarHBondContact CB-O 3.22Å; S314-Y350 PolarHBondContact N-O 2.96Å; S314-Y350 PolarHBondContact O-N 3.35Å
315Y96.1Very high93.2Very high7 Ų751.6 Ų51.63%0.02730%0.304CS..EExtended strand (participates in β ladder)trans-128128.9-179.7-60.9-90.4000110P287 W306 T308 V309 A312 N326 T327 V347 T348 A349P287-Y315 HydrophobicContact CB-CD1 4.49Å; P287-Y315 HydrophobicContact CB-CE1 4.26Å; P287-Y315 HydrophobicContact CG-CD1 4.46Å; W306-Y315 AromaticContact CD1-CD1 3.82Å; W306-Y315 AromaticContact CD1-CE1 3.85Å; W306-Y315 AromaticContact CE2-CG 3.73Å; W306-Y315 VanDerWaalsContact CZ2-CB 3.47Å; W306-Y315 HydrophobicContact CZ2-CD2 4.14Å; W306-Y315 AromaticContact CZ2-CG 3.81Å; W306-Y315 HydrophobicContact CZ2-CG 3.81Å; W306-Y315 AromaticContact NE1-CD1 3.23Å; W306-Y315 AromaticContact NE1-CD2 3.54Å; W306-Y315 AromaticContact NE1-CE1 3.54Å; W306-Y315 AromaticContact NE1-CE2 3.87Å; W306-Y315 AromaticContact NE1-CG 3.23Å; W306-Y315 AromaticContact NE1-CZ 3.87Å; T308-Y315 VanDerWaalsContact CA-OH 3.24Å; T308-Y315 WeakPolarHBondContact CA-OH 3.13Å; T308-Y315 WeakPolarHBondContact CB-OH 3.41Å; T308-Y315 HydrophobicContact CG2-CE2 4.34Å; V309-Y315 HydrophobicContact CG2-CE1 4.18Å; V309-Y315 PolarHBondContact N-OH 3.31Å; V309-Y315 PolarHBondContact O-OH 2.86Å; A312-Y315 HydrophobicContact CB-CE1 4.24Å; A312-Y315 HydrophobicContact CB-CE2 4.41Å; Y315-N326 WeakPolarHBondContact O-CA 3.06Å; Y315-N326 PolarHBondContact O-OD1 2.92Å; Y315-N326 VanDerWaalsContact O-OD1 3.12Å; Y315-T327 PolarHBondContact N-O 3.48Å; Y315-T327 PolarHBondContact O-N 2.02Å; Y315-V347 HydrophobicContact CD1-CG1 4.13Å; Y315-T348 WeakPolarHBondContact CA-O 3.41Å; Y315-A349 HydrophobicContact CD1-CB 3.86Å; Y315-A349 HydrophobicContact CE1-CB 3.73Å
316L95.6Very high93.2Very high46 Ų4653.6 Ų53.624%0.24132%0.319CS..EExtended strand (participates in β ladder)trans-99.5118.3170-177.665.6000108.8N326 V347 T348 Y350L316-N326 HydrophobicContact CD1-CB 4.3Å; L316-V347 WeakPolarHBondContact O-CA 3.06Å; L316-T348 PolarHBondContact N-O 2.96Å; L316-T348 PolarHBondContact O-N 3.09Å; L316-Y350 HydrophobicContact CB-CD2 4.26Å; L316-Y350 HydrophobicContact CB-CE2 3.66Å; L316-Y350 HydrophobicContact CD2-CE2 4.21Å
317V95.1Very high93.2Very high0 Ų054.4 Ų54.40%033%0.325CS..EExtended strand (participates in β ladder)trans-92130.7167.1-1680000108.1V304 W306 S324 C325 C332 I334 V345 T346 V347V304-V317 HydrophobicContact CB-CG1 4.16Å; V304-V317 HydrophobicContact CG1-CG1 4.17Å; V304-V317 HydrophobicContact CG2-CG1 4.02Å; W306-V317 HydrophobicContact CE3-CG2 4.31Å; W306-V317 HydrophobicContact CH2-CG2 3.43Å; W306-V317 VanDerWaalsContact CH2-CG2 3.43Å; W306-V317 HydrophobicContact CZ2-CG2 4.43Å; W306-V317 HydrophobicContact CZ3-CG2 3.36Å; V317-S324 CarbonylContact O-C 3.45Å; V317-S324 WeakPolarHBondContact O-CA 3.01Å; V317-S324 WeakPolarHBondContact O-CB 3.46Å; V317-C325 PolarHBondContact N-O 2.82Å; V317-C325 PolarHBondContact O-N 2.96Å; V317-C332 HydrophobicContact CG2-CB 3.87Å; V317-I334 HydrophobicContact CB-CD1 4.33Å; V317-I334 HydrophobicContact CG1-CD1 3.87Å; V317-V345 HydrophobicContact CG1-CB 4.4Å; V317-T346 WeakPolarHBondContact CA-O 3.48Å; V317-V347 HydrophobicContact CG1-CG2 4.19Å; V317-V347 HydrophobicContact CG2-CG2 4.13Å
318L94.4Very high93.2Very high78 Ų7853.2 Ų53.241%0.40833%0.327SS..EExtended strand (participates in β ladder)trans-124.7125.5176.2-177.465.4000109.5V345 T346L318-V345 WeakPolarHBondContact O-CA 3.49Å; L318-T346 PolarHBondContact N-O 2.74Å; L318-T346 PolarHBondContact O-N 2.99Å
319A93.9Very high93.2Very high4 Ų452.5 Ų52.53%0.03332%0.32CS..EExtended strand (participates in β ladder)trans-93.5152172.500000111N321 G322 Q323 I334 S344 V345A319-N321 VanDerWaalsContact CB-OD1 3.27Å; A319-N321 WeakPolarHBondContact CB-OD1 3.21Å; A319-N321 PolarHBondContact O-N 2.03Å; A319-N321 VanDerWaalsContact O-N 3.1Å; A319-G322 PolarHBondContact O-N 2.76Å; A319-Q323 PolarHBondContact N-O 2.96Å; A319-I334 HydrophobicContact CB-CD1 4.16Å; A319-S344 CarbonylContact C-O 3.6Å; A319-S344 WeakPolarHBondContact CA-O 3.3Å; A319-V345 HydrophobicContact CB-CG1 4.07Å
320S92.4Very high93.1Very high70 Ų7053.8 Ų53.849%0.4933%0.33SS..THydrogen-bonded Turntrans-62.3-16.9-179.659.80000114.4G322 H343 S344S320-G322 VanDerWaalsContact C-N 3.26Å; S320-H343 WeakPolarHBondContact OG-CA 3.47Å; S320-H343 VanDerWaalsContact OG-CB 3.3Å; S320-H343 WeakPolarHBondContact OG-CB 3.47Å; S320-S344 PolarHBondContact N-O 3.33Å; S320-S344 PolarHBondContact OG-N 3.25Å
321N87.5Confident93.3Very high61 Ų6151.6 Ų51.633%0.32632%0.316SS..THydrogen-bonded Turntrans-83.23.7172.866.94.1000113.7A319 Q323 Q337A319-N321 VanDerWaalsContact CB-OD1 3.27Å; A319-N321 WeakPolarHBondContact CB-OD1 3.21Å; A319-N321 PolarHBondContact O-N 2.03Å; A319-N321 VanDerWaalsContact O-N 3.1Å; N321-Q323 VanDerWaalsContact C-N 3.32Å; N321-Q323 PolarHBondContact ND2-OE1 3.33Å; N321-Q323 VanDerWaalsContact ND2-OE1 3.07Å; N321-Q323 PolarHBondContact O-N 2.83Å; N321-Q323 VanDerWaalsContact OD1-CB 3.28Å; N321-Q323 WeakPolarHBondContact OD1-CB 3.49Å; N321-Q323 WeakPolarHBondContact OD1-CG 3.31Å; N321-Q323 PolarHBondContact OD1-N 3.18Å; N321-Q337 PolarHBondContact ND2-OE1 2.86Å
322G88.6Confident93.4Very high57 Ų5751 Ų5159%0.58831%0.308SS*.SBendtrans84.7-4.1-18000000114.8A319 S320A319-G322 PolarHBondContact O-N 2.76Å; S320-G322 VanDerWaalsContact C-N 3.26Å
323Q91.4Very high93.3Very high58 Ų5855.1 Ų55.127%0.27132%0.322SS..  trans-72.2144.2171.4-62177.2-29.900110.4A319 N321 I334 P336A319-Q323 PolarHBondContact N-O 2.96Å; N321-Q323 VanDerWaalsContact C-N 3.32Å; N321-Q323 PolarHBondContact ND2-OE1 3.33Å; N321-Q323 VanDerWaalsContact ND2-OE1 3.07Å; N321-Q323 PolarHBondContact O-N 2.83Å; N321-Q323 VanDerWaalsContact OD1-CB 3.28Å; N321-Q323 WeakPolarHBondContact OD1-CB 3.49Å; N321-Q323 WeakPolarHBondContact OD1-CG 3.31Å; N321-Q323 PolarHBondContact OD1-N 3.18Å; Q323-I334 HydrophobicContact CB-CG2 3.57Å; Q323-I334 HydrophobicContact CG-CG2 4.42Å; Q323-P336 PolarHBondContact NE2-O 2.88Å; Q323-P336 PolarHBondContact OE1-O 3.33Å
324S94.1Very high93.2Very high70 Ų7050.9 Ų50.949%0.4930%0.299SS..EExtended strand (participates in β ladder)trans-143.9160.8177.755.10000111.7V317V317-S324 CarbonylContact O-C 3.45Å; V317-S324 WeakPolarHBondContact O-CA 3.01Å; V317-S324 WeakPolarHBondContact O-CB 3.46Å
325C94Very high92.9Very high21 Ų2152.9 Ų52.914%0.14231%0.313CS..EExtended strand (participates in β ladder)trans-146.5147.4171.672.80000110.5V317 C332 I334V317-C325 PolarHBondContact N-O 2.82Å; V317-C325 PolarHBondContact O-N 2.96Å; C325-C332 HydrophobicContact CB-CB 4.46Å; C325-C332 WeakPolarHBondContact CB-SG 3.22Å; C325-C332 WeakPolarHBondContact SG-CB 3.41Å; C325-C332 CovalentContact SG-SG 2.02Å; C325-C332 PolarHBondContact SG-SG 2.68Å; C325-I334 HydrophobicContact CB-CG1 4.26Å
326N94.6Very high92.6Very high109 Ų10956.4 Ų56.458%0.58334%0.337SS*.EExtended strand (participates in β ladder)trans-122.5135.1-175.1-17514.6000109.6Y315 L316Y315-N326 WeakPolarHBondContact O-CA 3.06Å; Y315-N326 PolarHBondContact O-OD1 2.92Å; Y315-N326 VanDerWaalsContact O-OD1 3.12Å; L316-N326 HydrophobicContact CD1-CB 4.3Å
327T94.4Very high92.2Very high25 Ų2554.8 Ų54.815%0.15333%0.328CS..EExtended strand (participates in β ladder)trans-150.5159.7-174.9-1730000111.6W306 S314 Y315 D329 Y331 C332W306-T327 HydrophobicContact CH2-CG2 3.61Å; W306-T327 HydrophobicContact CZ2-CG2 3.53Å; S314-T327 CarbonylContact C-O 3.59Å; S314-T327 VanDerWaalsContact CA-O 3.29Å; S314-T327 WeakPolarHBondContact CA-O 3.07Å; S314-T327 WeakPolarHBondContact CB-O 3.22Å; Y315-T327 PolarHBondContact N-O 3.48Å; Y315-T327 PolarHBondContact O-N 2.02Å; T327-D329 WeakPolarHBondContact CG2-O 3.46Å; T327-D329 PolarHBondContact OG1-N 3.04Å; T327-Y331 WeakPolarHBondContact CG2-O 3.34Å; T327-C332 HydrophobicContact CG2-CB 3.98Å
328S93.1Very high91.8Very high83 Ų8361.2 Ų61.258%0.5836%0.358SS*.SBendtrans-91-15.5164.151.20000113.1
329D93.1Very high91.5Very high78 Ų7859.8 Ų59.842%0.41735%0.354SS..SBendtrans-82.2173.8-175.9-59.7-45.3000112.4W306 T327 Y331W306-D329 WeakPolarHBondContact CZ2-O 3.28Å; T327-D329 WeakPolarHBondContact CG2-O 3.46Å; T327-D329 PolarHBondContact OG1-N 3.04Å; D329-Y331 HydrophobicContact CB-CD1 4.18Å; D329-Y331 HydrophobicContact CB-CE1 4.02Å; D329-Y331 PolarHBondContact O-N 3.25Å
330S92.6Very high91.2Very high51 Ų5160.4 Ų60.436%0.35736%0.361SS..SBendtrans-82.39.9177.462.10000114.7W306W306-S330 PolarHBondContact N-O 2.88Å
331Y94.3Very high91Very high90 Ų9059.8 Ų59.835%0.35335%0.35SS..EExtended strand (participates in β ladder)trans-152155.4-178.270.1-90000111.8V304 Y305 T327 D329 F333V304-Y331 CarbonylContact O-C 3.6Å; V304-Y331 WeakPolarHBondContact O-CA 3.49Å; V304-Y331 WeakPolarHBondContact O-CB 2.99Å; Y305-Y331 VanDerWaalsContact CD1-CB 3.43Å; Y305-Y331 HydrophobicContact CD1-CG 4.33Å; Y305-Y331 HydrophobicContact CE1-CG 4.04Å; T327-Y331 WeakPolarHBondContact CG2-O 3.34Å; D329-Y331 HydrophobicContact CB-CD1 4.18Å; D329-Y331 HydrophobicContact CB-CE1 4.02Å; D329-Y331 PolarHBondContact O-N 3.25Å; Y331-F333 AromaticContact CD2-CE2 3.98Å; Y331-F333 HydrophobicContact CD2-CE2 3.98Å; Y331-F333 HydrophobicContact CD2-CZ 4.18Å; Y331-F333 HydrophobicContact CE2-CD2 4.4Å; Y331-F333 AromaticContact CE2-CE2 3.64Å; Y331-F333 HydrophobicContact CE2-CE2 3.64Å; Y331-F333 HydrophobicContact CE2-CZ 4.09Å
332C93.3Very high91.2Very high13 Ų1361.8 Ų61.89%0.08836%0.361CS..EExtended strand (participates in β ladder)trans-151.4154.4172.6-170.50000112.7A303 V304 W306 V317 C325 T327A303-C332 WeakPolarHBondContact CA-O 3.39Å; V304-C332 PolarHBondContact N-O 3.12Å; V304-C332 PolarHBondContact O-N 3.42Å; W306-C332 HydrophobicContact CH2-CB 3.67Å; W306-C332 HydrophobicContact CZ3-CB 4.1Å; V317-C332 HydrophobicContact CG2-CB 3.87Å; C325-C332 HydrophobicContact CB-CB 4.46Å; C325-C332 WeakPolarHBondContact CB-SG 3.22Å; C325-C332 WeakPolarHBondContact SG-CB 3.41Å; C325-C332 CovalentContact SG-SG 2.02Å; C325-C332 PolarHBondContact SG-SG 2.68Å; T327-C332 HydrophobicContact CG2-CB 3.98Å
333F92Very high91.3Very high109 Ų10960.9 Ų60.948%0.47834%0.341SS..EExtended strand (participates in β ladder)trans-106.8133.7180-57.6-75.6000111.2T295 I302 A303 Y331T295-F333 HydrophobicContact CG2-CD1 4.25Å; T295-F333 HydrophobicContact CG2-CE1 4.07Å; I302-F333 CarbonylContact O-C 3.58Å; I302-F333 VanDerWaalsContact O-CA 3.26Å; I302-F333 WeakPolarHBondContact O-CA 3.16Å; A303-F333 HydrophobicContact CB-CD1 3.56Å; A303-F333 HydrophobicContact CB-CE1 3.51Å; Y331-F333 AromaticContact CD2-CE2 3.98Å; Y331-F333 HydrophobicContact CD2-CE2 3.98Å; Y331-F333 HydrophobicContact CD2-CZ 4.18Å; Y331-F333 HydrophobicContact CE2-CD2 4.4Å; Y331-F333 AromaticContact CE2-CE2 3.64Å; Y331-F333 HydrophobicContact CE2-CE2 3.64Å; Y331-F333 HydrophobicContact CE2-CZ 4.09Å
334I91.6Very high91.3Very high7 Ų760 Ų604%0.03634%0.341CS..EExtended strand (participates in β ladder)trans-119.5115.5172.3-49.6-179.7000108.9G301 I302 V317 A319 Q323 C325 Q337G301-I334 WeakPolarHBondContact CA-O 3.46Å; I302-I334 HydrophobicContact CD1-CB 4.26Å; I302-I334 HydrophobicContact CD1-CD1 4.33Å; I302-I334 HydrophobicContact CG1-CB 3.89Å; I302-I334 PolarHBondContact N-O 2.81Å; I302-I334 PolarHBondContact O-N 2.85Å; V317-I334 HydrophobicContact CB-CD1 4.33Å; V317-I334 HydrophobicContact CG1-CD1 3.87Å; A319-I334 HydrophobicContact CB-CD1 4.16Å; Q323-I334 HydrophobicContact CB-CG2 3.57Å; Q323-I334 HydrophobicContact CG-CG2 4.42Å; C325-I334 HydrophobicContact CB-CG1 4.26Å; I334-Q337 PolarHBondContact O-NE2 3.3Å; I334-Q337 VanDerWaalsContact O-NE2 3.12Å
335S89.3Confident91.4Very high73 Ų7356.6 Ų56.651%0.5132%0.318SS..  trans-147.7151.4178.263.60000110.8
336P88.6Confident91.4Very high81 Ų8157.1 Ų57.153%0.52632%0.321SS..PPolyproline II helixcis-79147.6-1.933.6-35.1000113.2L300 Q323L300-P336 CarbonylContact O-C 3.6Å; L300-P336 WeakPolarHBondContact O-CA 3.06Å; Q323-P336 PolarHBondContact NE2-O 2.88Å; Q323-P336 PolarHBondContact OE1-O 3.33Å
337Q87.9Confident91.5Very high13 Ų1352 Ų526%0.06129%0.293CS..PPolyproline II helixtrans-99.9156.7163.3-60.1-54.1-4000110.5L300 I302 N321 I334 Y364 T366L300-Q337 HydrophobicContact CB-CB 4.31Å; L300-Q337 HydrophobicContact CD2-CB 3.93Å; L300-Q337 HydrophobicContact CG-CB 3.94Å; L300-Q337 PolarHBondContact O-N 3.26Å; I302-Q337 HydrophobicContact CG1-CG 4.29Å; I302-Q337 HydrophobicContact CG2-CG 4.3Å; N321-Q337 PolarHBondContact ND2-OE1 2.86Å; I334-Q337 PolarHBondContact O-NE2 3.3Å; I334-Q337 VanDerWaalsContact O-NE2 3.12Å; Q337-Y364 PolarHBondContact OE1-OH 2.86Å; Q337-T366 HydrophobicContact CB-CG2 4.36Å
338E86.4Confident91.5Very high135 Ų13551.5 Ų51.563%0.63129%0.29SS*.PPolyproline II helixtrans-92.4159.2170.1-66.3-179.2175.500111.1Q341 T366E338-Q341 HydrophobicContact CB-CG 3.95Å; E338-Q341 PolarHBondContact OE2-NE2 2.88Å; E338-T366 WeakPolarHBondContact O-CB 3.45Å; E338-T366 WeakPolarHBondContact O-CG2 2.97Å; E338-T366 PolarHBondContact O-OG1 2.84Å; E338-T366 VanDerWaalsContact O-OG1 3.13Å
339C88.4Confident91.6Very high48 Ų4847.6 Ų47.632%0.32426%0.262SS..THydrogen-bonded Turntrans-79.6164.1173.357.30000111.3Q341 Y367 C369C339-Q341 PolarHBondContact O-N 2.87Å; C339-Q341 VanDerWaalsContact O-N 3.16Å; C339-Y367 CarbonylContact C-O 3.53Å; C339-Y367 WeakPolarHBondContact CA-O 3.36Å; C339-Y367 WeakPolarHBondContact CB-O 3.39Å; C339-C369 HydrophobicContact CB-CB 3.98Å; C339-C369 WeakPolarHBondContact CB-SG 3.46Å; C339-C369 PolarHBondContact O-SG 3.09Å; C339-C369 VanDerWaalsContact O-SG 3.33Å; C339-C369 WeakPolarHBondContact SG-CA 3.38Å; C339-C369 WeakPolarHBondContact SG-CB 3.05Å; C339-C369 CovalentContact SG-SG 2.04Å; C339-C369 PolarHBondContact SG-SG 2.92Å
340G87.1Confident91.7Very high17 Ų1747.7 Ų47.718%0.17526%0.258CS..THydrogen-bonded Turntrans64.416.4175.500000115.7T366 Y367 L393G340-T366 PolarHBondContact N-OG1 2.88Å; G340-T366 VanDerWaalsContact N-OG1 3.14Å; G340-Y367 PolarHBondContact N-O 3.46Å; G340-L393 WeakPolarHBondContact O-CD1 3.46Å
341Q88.4Confident91.8Very high56 Ų5646 Ų4626%0.26225%0.245SC..  trans-94.7149-179.7-63.9-62.2-13.200112.6E338 C339 H343 I365 T366E338-Q341 HydrophobicContact CB-CG 3.95Å; E338-Q341 PolarHBondContact OE2-NE2 2.88Å; C339-Q341 PolarHBondContact O-N 2.87Å; C339-Q341 VanDerWaalsContact O-N 3.16Å; Q341-H343 PolarHBondContact OE1-CE1 3.11Å; Q341-I365 WeakPolarHBondContact O-CA 3.11Å; Q341-T366 HydrophobicContact CB-CG2 4.23Å; Q341-T366 PolarHBondContact N-OG1 2.84Å; Q341-T366 PolarHBondContact O-N 2.81Å; Q341-T366 PolarHBondContact O-OG1 3.13Å
342N91.2Very high91.7Very high104 Ų10448.5 Ų48.556%0.55626%0.264SS*.EExtended strand (participates in β ladder)trans-123.6112.1167.2-178.56.3000107.8I365 L393N342-I365 HydrophobicContact CB-CG2 4.24Å; N342-L393 HydrophobicContact CB-CD1 3.92Å
343H91.2Very high91.6Very high37 Ų3748.8 Ų48.817%0.17127%0.268CS..EExtended strand (participates in β ladder)trans-136.1169.7-170.2-76.5-10.3000110.3S320 Q341 G363 Y364S320-H343 WeakPolarHBondContact OG-CA 3.47Å; S320-H343 VanDerWaalsContact OG-CB 3.3Å; S320-H343 WeakPolarHBondContact OG-CB 3.47Å; Q341-H343 PolarHBondContact OE1-CE1 3.11Å; H343-G363 CarbonylContact O-C 3.57Å; H343-G363 WeakPolarHBondContact O-CA 3Å; H343-Y364 HydrophobicContact CB-CD1 4.34Å; H343-Y364 HydrophobicContact CB-CE1 3.55Å; H343-Y364 HydrophobicContact CB-CE2 4.21Å; H343-Y364 VanDerWaalsContact CB-CZ 3.49Å; H343-Y364 WeakPolarHBondContact CB-OH 3.27Å; H343-Y364 PolarHBondContact N-O 3.37Å; H343-Y364 WeakPolarHBondContact O-CD1 3.46Å; H343-Y364 PolarHBondContact O-N 2.87Å; H343-Y364 VanDerWaalsContact O-O 3.08Å
344S92.6Very high91.6Very high39 Ų3944.4 Ų44.427%0.27325%0.253SS..EExtended strand (participates in β ladder)trans-129.2156.9172.860.40000111.7A319 S320 V362A319-S344 CarbonylContact C-O 3.6Å; A319-S344 WeakPolarHBondContact CA-O 3.3Å; S320-S344 PolarHBondContact N-O 3.33Å; S320-S344 PolarHBondContact OG-N 3.25Å; S344-V362 CarbonylContact C-O 3.53Å; S344-V362 WeakPolarHBondContact CA-O 3.45Å; S344-V362 WeakPolarHBondContact CB-O 3.46Å
345V94.3Very high91.7Very high0 Ų046.1 Ų46.10%027%0.265CS..EExtended strand (participates in β ladder)trans-120.2147172.4-68.60000110.8V292 I302 V304 V317 L318 A319 V362 Y364V292-V345 HydrophobicContact CG2-CG2 3.65Å; I302-V345 HydrophobicContact CD1-CG1 3.85Å; V304-V345 HydrophobicContact CG1-CG2 4.08Å; V304-V345 HydrophobicContact CG2-CB 4.41Å; V304-V345 HydrophobicContact CG2-CG1 4.08Å; V304-V345 HydrophobicContact CG2-CG2 4.13Å; V317-V345 HydrophobicContact CG1-CB 4.4Å; L318-V345 WeakPolarHBondContact O-CA 3.49Å; A319-V345 HydrophobicContact CB-CG1 4.07Å; V345-V362 HydrophobicContact CG2-CB 4.37Å; V345-V362 PolarHBondContact N-O 2.83Å; V345-V362 PolarHBondContact O-N 2.77Å; V345-Y364 HydrophobicContact CG1-CD1 4.26Å; V345-Y364 HydrophobicContact CG1-CE1 3.75Å
346T95.3Very high92Very high32 Ų3243.2 Ų43.220%0.19624%0.244CC..EExtended strand (participates in β ladder)trans-126153.4164.655.90000109.9V317 L318 S359V317-T346 WeakPolarHBondContact CA-O 3.48Å; L318-T346 PolarHBondContact N-O 2.74Å; L318-T346 PolarHBondContact O-N 2.99Å; T346-S359 WeakPolarHBondContact CA-OG 3.28Å
347V95.8Very high92.2Very high0 Ų043.1 Ų43.10%025%0.246CC..EExtended strand (participates in β ladder)trans-121.1134.6175.9-175.10000108.9P287 V289 V304 W306 Y315 L316 V317 S359P287-V347 HydrophobicContact CB-CG1 4.44Å; P287-V347 HydrophobicContact CG-CB 3.97Å; P287-V347 HydrophobicContact CG-CG1 3.77Å; P287-V347 WeakPolarHBondContact CG-O 3.31Å; V289-V347 HydrophobicContact CG2-CB 4.22Å; V289-V347 HydrophobicContact CG2-CG2 3.58Å; V304-V347 HydrophobicContact CG1-CG2 4.15Å; W306-V347 HydrophobicContact CD2-CG1 3.9Å; W306-V347 HydrophobicContact CD2-CG2 4.26Å; W306-V347 HydrophobicContact CE3-CG1 4.24Å; W306-V347 HydrophobicContact CE3-CG2 3.88Å; W306-V347 HydrophobicContact CG-CG1 4.14Å; W306-V347 HydrophobicContact CZ2-CG1 4.49Å; W306-V347 HydrophobicContact CZ3-CG2 4.36Å; Y315-V347 HydrophobicContact CD1-CG1 4.13Å; L316-V347 WeakPolarHBondContact O-CA 3.06Å; V317-V347 HydrophobicContact CG1-CG2 4.19Å; V317-V347 HydrophobicContact CG2-CG2 4.13Å; V347-S359 PolarHBondContact N-OG 2.67Å; V347-S359 PolarHBondContact O-N 3.18Å
348T95.3Very high92.5Very high16 Ų1646.1 Ų46.110%0.09827%0.266CS..EExtended strand (participates in β ladder)trans-124.3127.6177.5-54.40000109.1Y315 L316 Y350 P355 S356Y315-T348 WeakPolarHBondContact CA-O 3.41Å; L316-T348 PolarHBondContact N-O 2.96Å; L316-T348 PolarHBondContact O-N 3.09Å; T348-Y350 HydrophobicContact CG2-CD2 4.28Å; T348-Y350 HydrophobicContact CG2-CE2 3.66Å; T348-Y350 WeakPolarHBondContact O-CD2 3.5Å; T348-P355 HydrophobicContact CG2-CB 3.8Å; T348-S356 WeakPolarHBondContact CG2-O 3.45Å
349A95.9Very high92.9Very high0 Ų040.2 Ų40.20%024%0.239CC..EExtended strand (participates in β ladder)trans-88.9145.817800000110.8P284 P287 V309 A312 Y315 P355 S356P284-A349 HydrophobicContact CB-CB 3.86Å; P284-A349 HydrophobicContact CG-CB 4.25Å; P287-A349 HydrophobicContact CG-CB 4.37Å; V309-A349 HydrophobicContact CG2-CB 3.64Å; A312-A349 HydrophobicContact CB-CB 3.96Å; Y315-A349 HydrophobicContact CD1-CB 3.86Å; Y315-A349 HydrophobicContact CE1-CB 3.73Å; A349-P355 CarbonylContact O-C 3.56Å; A349-P355 WeakPolarHBondContact O-CA 3.47Å; A349-S356 PolarHBondContact N-OG 3.31Å; A349-S356 PolarHBondContact O-N 2.04Å; A349-S356 PolarHBondContact O-OG 2.83Å
350Y94.9Very high93Very high80 Ų8045.4 Ų45.431%0.31426%0.259SS..EExtended strand (participates in β ladder)trans-129.5139.6-176.4-76.7-103.2000111.7N313 S314 L316 T348 P355N313-Y350 PolarHBondContact N-O 2.86Å; S314-Y350 PolarHBondContact N-O 2.96Å; S314-Y350 PolarHBondContact O-N 3.35Å; L316-Y350 HydrophobicContact CB-CD2 4.26Å; L316-Y350 HydrophobicContact CB-CE2 3.66Å; L316-Y350 HydrophobicContact CD2-CE2 4.21Å; T348-Y350 HydrophobicContact CG2-CD2 4.28Å; T348-Y350 HydrophobicContact CG2-CE2 3.66Å; T348-Y350 WeakPolarHBondContact O-CD2 3.5Å; Y350-P355 HydrophobicContact CD1-CB 4.07Å; Y350-P355 HydrophobicContact CE1-CB 3.68Å; Y350-P355 HydrophobicContact CE1-CG 4.28Å; Y350-P355 HydrophobicContact CE2-CB 4.29Å
351N94.6Very high93.2Very high16 Ų1648.4 Ų48.49%0.08628%0.277CS..EExtended strand (participates in β ladder)trans-142.3-170.2166.476.57000111.4T282 P284 G311 A353 G354T282-N351 PolarHBondContact O-ND2 2.7Å; P284-N351 HydrophobicContact CG-CB 3.88Å; G311-N351 WeakPolarHBondContact O-CB 3.2Å; G311-N351 PolarHBondContact O-ND2 2.86Å; N351-A353 PolarHBondContact O-N 3.07Å; N351-A353 WeakPolarHBondContact OD1-CA 3.49Å; N351-A353 WeakPolarHBondContact OD1-CB 3.4Å; N351-A353 PolarHBondContact OD1-N 3.1Å; N351-G354 PolarHBondContact N-O 3.08Å; N351-G354 VanDerWaalsContact N-O 3.15Å; N351-G354 PolarHBondContact O-N 2.04Å; N351-G354 VanDerWaalsContact O-N 3.1Å; N351-G354 PolarHBondContact OD1-N 3.4Å
352N91.9Very high93.4Very high143 Ų14348 Ų4877%0.76528%0.278SS*.THydrogen-bonded Turntrans-63.8-19.8-177.3-642.5000114.1N313N313-N352 PolarHBondContact ND2-OD1 2.89Å
353A91.6Very high93.4Very high19 Ų1945.7 Ų45.716%0.15728%0.279CS..THydrogen-bonded Turntrans-87.7-20.4175.600000113.6I281 R283 N351I281-A353 HydrophobicContact CG2-CB 3.94Å; I281-A353 VanDerWaalsContact O-CB 3.32Å; I281-A353 WeakPolarHBondContact O-CB 3.05Å; R283-A353 HydrophobicContact CG-CB 3.95Å; N351-A353 PolarHBondContact O-N 3.07Å; N351-A353 WeakPolarHBondContact OD1-CA 3.49Å; N351-A353 WeakPolarHBondContact OD1-CB 3.4Å; N351-A353 PolarHBondContact OD1-N 3.1Å
354G91.5Very high93.3Very high16 Ų1644.7 Ų44.717%0.16527%0.274CS..EExtended strand (participates in β ladder)trans136.8-166.5175.900000114.1N351N351-G354 PolarHBondContact N-O 3.08Å; N351-G354 VanDerWaalsContact N-O 3.15Å; N351-G354 PolarHBondContact O-N 2.04Å; N351-G354 VanDerWaalsContact O-N 3.1Å; N351-G354 PolarHBondContact OD1-N 3.4Å
355P94.6Very high93.2Very high44 Ų4445 Ų4529%0.28627%0.272SS..EExtended strand (participates in β ladder)trans-76148174.229.9-33.6000112.5R283 T348 A349 Y350R283-P355 WeakPolarHBondContact CD-O 3.45Å; R283-P355 PolarHBondContact NH1-O 3.19Å; R283-P355 VanDerWaalsContact NH1-O 3.17Å; T348-P355 HydrophobicContact CG2-CB 3.8Å; A349-P355 CarbonylContact O-C 3.56Å; A349-P355 WeakPolarHBondContact O-CA 3.47Å; Y350-P355 HydrophobicContact CD1-CB 4.07Å; Y350-P355 HydrophobicContact CE1-CB 3.68Å; Y350-P355 HydrophobicContact CE1-CG 4.28Å; Y350-P355 HydrophobicContact CE2-CB 4.29Å
356S94.7Very high93Very high11 Ų1145 Ų458%0.07727%0.272CS..PPolyproline II helixtrans-65.4173.5160.472.50000111.3P284 D285 T348 A349P284-S356 WeakPolarHBondContact O-CB 3.48Å; D285-S356 VanDerWaalsContact O-CB 3.27Å; D285-S356 WeakPolarHBondContact O-CB 3.25Å; T348-S356 WeakPolarHBondContact CG2-O 3.45Å; A349-S356 PolarHBondContact N-OG 3.31Å; A349-S356 PolarHBondContact O-N 2.04Å; A349-S356 PolarHBondContact O-OG 2.83Å
357S92.6Very high92.7Very high80 Ų8045 Ų4556%0.55927%0.269SS*.PPolyproline II helixtrans-62.9145.5155.3-64.40000109.7S286S286-S357 WeakPolarHBondContact CB-O 3.48Å
358P93.5Very high92.5Very high75 Ų7545.1 Ų45.149%0.48727%0.27SS..PPolyproline II helixtrans-61.5152.5171.5-21.733.4000111.8
359S94.8Very high92.2Very high11 Ų1146.1 Ų46.18%0.07728%0.277CS..PPolyproline II helixtrans-57164.8169.375.10000112.2P287 T346 V347P287-S359 WeakPolarHBondContact O-CB 3.21Å; T346-S359 WeakPolarHBondContact CA-OG 3.28Å; V347-S359 PolarHBondContact N-OG 2.67Å; V347-S359 PolarHBondContact O-N 3.18Å
360Q91.4Very high92Very high157 Ų15747.3 Ų47.373%0.73429%0.285SS*.PPolyproline II helixtrans-54.8144.3159.7-62.7-58.4-42.900109.9V362Q360-V362 PolarHBondContact O-N 2.92Å
361S91.4Very high91.8Very high80 Ų8043.6 Ų43.656%0.55927%0.27SS*.PPolyproline II helixtrans-78119.4-179.649.10000110.7
362V92.6Very high91.4Very high47 Ų4750.3 Ų50.329%0.28530%0.301SS..EExtended strand (participates in β ladder)trans-98.8117.1178178.70000109V289 V292 S344 V345 Q360V289-V362 HydrophobicContact CB-CG2 3.76Å; V289-V362 HydrophobicContact CG1-CB 4.2Å; V289-V362 HydrophobicContact CG1-CG2 3.82Å; V289-V362 HydrophobicContact CG2-CG2 4.47Å; V292-V362 HydrophobicContact CG2-CG1 3.98Å; S344-V362 CarbonylContact C-O 3.53Å; S344-V362 WeakPolarHBondContact CA-O 3.45Å; S344-V362 WeakPolarHBondContact CB-O 3.46Å; V345-V362 HydrophobicContact CG2-CB 4.37Å; V345-V362 PolarHBondContact N-O 2.83Å; V345-V362 PolarHBondContact O-N 2.77Å; Q360-V362 PolarHBondContact O-N 2.92Å
363G90.4Very high91.2Very high56 Ų5647.5 Ų47.558%0.57729%0.286SS*.EExtended strand (participates in β ladder)trans-74.1142.8174.700000112.1H343H343-G363 CarbonylContact O-C 3.57Å; H343-G363 WeakPolarHBondContact O-CA 3Å
364Y90.4Very high91.2Very high17 Ų1747 Ų477%0.06728%0.281CS..EExtended strand (participates in β ladder)trans-141.3146.517270.6-80.4000109.7V292 I302 Q337 H343 V345 T366V292-Y364 HydrophobicContact CG1-CD1 4.39Å; V292-Y364 HydrophobicContact CG1-CG 4.07Å; I302-Y364 HydrophobicContact CD1-CE1 4.03Å; I302-Y364 HydrophobicContact CD1-CE2 4.06Å; I302-Y364 HydrophobicContact CG2-CD2 3.86Å; I302-Y364 HydrophobicContact CG2-CE2 3.73Å; Q337-Y364 PolarHBondContact OE1-OH 2.86Å; H343-Y364 HydrophobicContact CB-CD1 4.34Å; H343-Y364 HydrophobicContact CB-CE1 3.55Å; H343-Y364 HydrophobicContact CB-CE2 4.21Å; H343-Y364 VanDerWaalsContact CB-CZ 3.49Å; H343-Y364 WeakPolarHBondContact CB-OH 3.27Å; H343-Y364 PolarHBondContact N-O 3.37Å; H343-Y364 WeakPolarHBondContact O-CD1 3.46Å; H343-Y364 PolarHBondContact O-N 2.87Å; H343-Y364 VanDerWaalsContact O-O 3.08Å; V345-Y364 HydrophobicContact CG1-CD1 4.26Å; V345-Y364 HydrophobicContact CG1-CE1 3.75Å; Y364-T366 HydrophobicContact CD2-CG2 4.45Å; Y364-T366 HydrophobicContact CE2-CG2 4.1Å
365I89.8Confident91.1Very high45 Ų4550.6 Ų50.623%0.23129%0.29CS..EExtended strand (participates in β ladder)trans-106.4148.2169.765.2177.2000109.2Q341 N342 N436 Q437 A438Q341-I365 WeakPolarHBondContact O-CA 3.11Å; N342-I365 HydrophobicContact CB-CG2 4.24Å; I365-N436 HydrophobicContact CD1-CB 4.4Å; I365-Q437 HydrophobicContact CD1-CB 4.14Å; I365-A438 HydrophobicContact CG1-CB 4.02Å
366T90Very high90.9Very high0 Ų049.2 Ų49.20%028%0.28CS..PPolyproline II helixtrans-89.2171171.959.70000110.9L294 L300 Q337 E338 G340 Q341 Y364 N436L294-T366 HydrophobicContact CD2-CG2 4.36Å; L300-T366 HydrophobicContact CD2-CG2 4.14Å; Q337-T366 HydrophobicContact CB-CG2 4.36Å; E338-T366 WeakPolarHBondContact O-CB 3.45Å; E338-T366 WeakPolarHBondContact O-CG2 2.97Å; E338-T366 PolarHBondContact O-OG1 2.84Å; E338-T366 VanDerWaalsContact O-OG1 3.13Å; G340-T366 PolarHBondContact N-OG1 2.88Å; G340-T366 VanDerWaalsContact N-OG1 3.14Å; Q341-T366 HydrophobicContact CB-CG2 4.23Å; Q341-T366 PolarHBondContact N-OG1 2.84Å; Q341-T366 PolarHBondContact O-N 2.81Å; Q341-T366 PolarHBondContact O-OG1 3.13Å; Y364-T366 HydrophobicContact CD2-CG2 4.45Å; Y364-T366 HydrophobicContact CE2-CG2 4.1Å; T366-N436 PolarHBondContact O-ND2 3.04Å; T366-N436 VanDerWaalsContact O-ND2 3.13Å
367Y89.3Confident90.6Very high32 Ų3253 Ų5313%0.12530%0.297CS..PPolyproline II helixtrans-55.5147.3167.3-57.3-65.1000110.3L294 L300 C339 G340 A438 T440 L442L294-Y367 HydrophobicContact CB-CE2 4.12Å; L294-Y367 HydrophobicContact CD1-CD1 4.34Å; L294-Y367 HydrophobicContact CD1-CD2 4.43Å; L294-Y367 HydrophobicContact CD1-CE1 4.12Å; L294-Y367 HydrophobicContact CD1-CE2 4.18Å; L294-Y367 HydrophobicContact CD1-CG 4.48Å; L300-Y367 HydrophobicContact CD1-CD2 3.37Å; L300-Y367 HydrophobicContact CD1-CE2 3.42Å; L300-Y367 VanDerWaalsContact CD1-CE2 3.42Å; L300-Y367 HydrophobicContact CD2-CD2 4.4Å; C339-Y367 CarbonylContact C-O 3.53Å; C339-Y367 WeakPolarHBondContact CA-O 3.36Å; C339-Y367 WeakPolarHBondContact CB-O 3.39Å; G340-Y367 PolarHBondContact N-O 3.46Å; Y367-A438 HydrophobicContact CD1-CB 4.19Å; Y367-A438 WeakPolarHBondContact CE1-O 3.38Å; Y367-T440 WeakPolarHBondContact CD1-O 3.33Å; Y367-L442 HydrophobicContact CD2-CD2 4.27Å; Y367-L442 HydrophobicContact CD2-CG 4.2Å; Y367-L442 HydrophobicContact CE2-CD2 4.12Å
368P91Very high90.3Very high2 Ų252 Ų521%0.01328%0.283CS..PPolyproline II helixtrans-66152.2175.5-8.122000111V391 V394 P434 N436 S441P368-V391 HydrophobicContact CB-CG1 4.38Å; P368-V394 HydrophobicContact CB-CG2 3.59Å; P368-V394 HydrophobicContact CG-CG2 3.97Å; P368-P434 HydrophobicContact CB-CB 3.85Å; P368-P434 HydrophobicContact CB-CG 3.86Å; P368-P434 HydrophobicContact CG-CB 4.08Å; P368-P434 HydrophobicContact CG-CG 4.39Å; P368-N436 HydrophobicContact CG-CB 4.07Å; P368-S441 WeakPolarHBondContact O-CB 3.06Å
369C90.2Very high89.5Confident38 Ų3852.6 Ų52.626%0.25729%0.287SS..PPolyproline II helixtrans-70.1147.3169.3-62.40000110.3C339 V391 P434C339-C369 HydrophobicContact CB-CB 3.98Å; C339-C369 WeakPolarHBondContact CB-SG 3.46Å; C339-C369 PolarHBondContact O-SG 3.09Å; C339-C369 VanDerWaalsContact O-SG 3.33Å; C339-C369 WeakPolarHBondContact SG-CA 3.38Å; C339-C369 WeakPolarHBondContact SG-CB 3.05Å; C339-C369 CovalentContact SG-SG 2.04Å; C339-C369 PolarHBondContact SG-SG 2.92Å; C369-V391 WeakPolarHBondContact O-CG1 3.34Å; C369-P434 VanDerWaalsContact O-CG 3.24Å; C369-P434 WeakPolarHBondContact O-CG 3.4Å
370P89.9Confident88.6Confident24 Ų2456 Ų5616%0.15631%0.308CS..PPolyproline II helixtrans-61.1148.1166.229-34.3000109.9E372 F443P370-E372 PolarHBondContact O-N 2.83Å; P370-F443 HydrophobicContact CG-CD2 4.11Å; P370-F443 HydrophobicContact CG-CE2 3.74Å; P370-F443 HydrophobicContact CG-CZ 4.39Å
371P91.4Very high87.8Confident2 Ų253 Ų531%0.01331%0.31CS..PPolyproline II helixtrans-62.5131.4170.7-14.827.9000109.8I374 W388 E389 V391 V432P371-I374 HydrophobicContact CB-CD1 4.48Å; P371-I374 HydrophobicContact CB-CG1 4.06Å; P371-W388 HydrophobicContact CB-CB 4.14Å; P371-W388 HydrophobicContact CG-CB 4.34Å; P371-W388 HydrophobicContact CG-CG 4.41Å; P371-E389 HydrophobicContact CB-CG 4.25Å; P371-V391 HydrophobicContact CB-CG2 4.03Å; P371-V391 HydrophobicContact CG-CG2 3.88Å; P371-V432 HydrophobicContact CG-CB 4.31Å; P371-V432 HydrophobicContact CG-CG1 4.09Å
372E86.9Confident87.2Confident158 Ų15850 Ų5074%0.73829%0.292SS*.SBendtrans-72.7-41.8177.2-56.1-171.7166.900110P370 E389 R447P370-E372 PolarHBondContact O-N 2.83Å; E372-E389 WeakPolarHBondContact CA-OE1 3.43Å; E372-E389 WeakPolarHBondContact CB-OE1 3.48Å; E372-E389 PolarHBondContact N-OE1 3.28Å; E372-R447 PolarHBondContact O-NH2 2.88Å; E372-R447 VanDerWaalsContact O-NH2 3.1Å
373N87.1Confident87Confident84 Ų8450.9 Ų50.945%0.44929%0.294SS..  trans-103.7112.6-178.5-16411.1000112.2W375 W388 E389N373-W375 HydrophobicContact CB-CE3 4.43Å; N373-W375 HydrophobicContact CB-CZ3 4.15Å; N373-W375 WeakPolarHBondContact ND2-CZ3 3.22Å; N373-W388 WeakPolarHBondContact O-CA 3.43Å; N373-E389 PolarHBondContact N-OE1 3.18Å; N373-E389 PolarHBondContact O-N 2.84Å
374I91Very high87Confident9 Ų948.2 Ų48.25%0.04627%0.267CS..EExtended strand (participates in β ladder)trans-130.7125175.6-55.4168.7000107.2P371 V386 W388 V432 R447P371-I374 HydrophobicContact CB-CD1 4.48Å; P371-I374 HydrophobicContact CB-CG1 4.06Å; I374-V386 HydrophobicContact CG2-CG1 3.88Å; I374-W388 HydrophobicContact CG1-CB 4.07Å; I374-V432 HydrophobicContact CD1-CB 4.02Å; I374-V432 HydrophobicContact CD1-CG2 3.99Å; I374-V432 HydrophobicContact CG1-CG2 4.35Å; I374-V432 HydrophobicContact CG2-CG2 4.09Å; I374-R447 HydrophobicContact CB-CG 4.03Å; I374-R447 HydrophobicContact CG2-CG 4.48Å
375W89.9Confident87.1Confident91 Ų9147.9 Ų47.935%0.34527%0.267SS..EExtended strand (participates in β ladder)trans-134174.6177.564.5100.6000111.2N373 E377 V387N373-W375 HydrophobicContact CB-CE3 4.43Å; N373-W375 HydrophobicContact CB-CZ3 4.15Å; N373-W375 WeakPolarHBondContact ND2-CZ3 3.22Å; W375-E377 PolarHBondContact NE1-OE1 2.66Å; W375-V387 HydrophobicContact CD2-CB 4.2Å; W375-V387 HydrophobicContact CD2-CG1 4.41Å; W375-V387 HydrophobicContact CG-CB 4.48Å; W375-V387 HydrophobicContact CH2-CG1 3.94Å; W375-V387 HydrophobicContact CZ2-CB 4Å; W375-V387 HydrophobicContact CZ2-CG1 3.33Å; W375-V387 PolarHBondContact N-O 2.82Å; W375-V387 PolarHBondContact O-N 2.99Å
376V89.9Confident87.2Confident15 Ų1545.7 Ų45.79%0.09126%0.256CS..EExtended strand (participates in β ladder)trans-132.5127.9176.2-1800000109.2C384 S385 V386 F420 T430 Y449V376-C384 HydrophobicContact CG1-CB 3.9Å; V376-S385 CarbonylContact C-O 3.59Å; V376-S385 VanDerWaalsContact CA-O 3.3Å; V376-S385 WeakPolarHBondContact CA-O 3.41Å; V376-V386 HydrophobicContact CG2-CB 4.37Å; V376-V386 HydrophobicContact CG2-CG1 4.22Å; V376-V386 HydrophobicContact CG2-CG2 4.12Å; V376-F420 HydrophobicContact CG1-CE1 4.03Å; V376-F420 HydrophobicContact CG1-CZ 4.14Å; V376-T430 HydrophobicContact CG2-CG2 4.21Å; V376-Y449 HydrophobicContact CB-CD1 4.18Å; V376-Y449 HydrophobicContact CB-CD2 3.49Å; V376-Y449 VanDerWaalsContact CB-CD2 3.49Å; V376-Y449 HydrophobicContact CB-CE1 4.29Å; V376-Y449 HydrophobicContact CB-CE2 3.54Å; V376-Y449 HydrophobicContact CB-CG 3.75Å; V376-Y449 HydrophobicContact CG1-CD1 3.98Å; V376-Y449 HydrophobicContact CG1-CD2 4.17Å; V376-Y449 HydrophobicContact CG1-CE1 3.9Å; V376-Y449 HydrophobicContact CG1-CE2 4Å; V376-Y449 HydrophobicContact CG1-CG 4.08Å; V376-Y449 HydrophobicContact CG2-CD2 4.07Å; V376-Y449 HydrophobicContact CG2-CG 4.05Å; V376-Y449 WeakPolarHBondContact O-CE2 3.38Å; V376-Y449 PolarHBondContact O-OH 3.4Å
377E89.1Confident87.4Confident90 Ų9046.3 Ų46.342%0.42126%0.26SS..EExtended strand (participates in β ladder)trans-100.3138.5177.5-63.4175.3-176.200109.2W375 P379 C384 S385 V387W375-E377 PolarHBondContact NE1-OE1 2.66Å; E377-P379 VanDerWaalsContact C-CD 3.41Å; E377-P379 WeakPolarHBondContact O-CD 3.05Å; E377-C384 CarbonylContact O-C 3.6Å; E377-C384 VanDerWaalsContact O-CA 3.28Å; E377-C384 WeakPolarHBondContact O-CA 3.42Å; E377-S385 PolarHBondContact N-O 2.85Å; E377-S385 PolarHBondContact O-N 2.8Å; E377-V387 HydrophobicContact CG-CG2 4.12Å
378E85.4Confident87.6Confident59 Ų5945 Ų4528%0.27625%0.254SS..EExtended strand (participates in β ladder)trans-11875.4174.5-173.1174.6-172.200108.7T380E378-T380 VanDerWaalsContact C-N 3.26Å; E378-T380 PolarHBondContact O-N 2.91Å
379P77.2Confident87.6Confident87 Ų8748.2 Ų48.257%0.56527%0.269SS*.EExtended strand (participates in β ladder)trans-63.6-29-177.124-35.7000113.6E377 N383E377-P379 VanDerWaalsContact C-CD 3.41Å; E377-P379 WeakPolarHBondContact O-CD 3.05Å; P379-N383 WeakPolarHBondContact CD-O 3.46Å
380T76.6Confident87.6Confident84 Ų8454.4 Ų54.452%0.51530%0.295SS..EExtended strand (participates in β ladder)trans-143.8142.6168.859.80000109.5E378 G382 N383E378-T380 VanDerWaalsContact C-N 3.26Å; E378-T380 PolarHBondContact O-N 2.91Å; T380-G382 PolarHBondContact O-N 2.82Å; T380-N383 PolarHBondContact O-N 3.37Å; T380-N383 WeakPolarHBondContact OG1-CB 3.06Å
381A74.4Confident87.7Confident94 Ų9454 Ų5478%0.77729%0.291SS*.THydrogen-bonded Turntrans-49127.5177.800000111.8
382G79.2Confident87.6Confident17 Ų1758.2 Ų58.218%0.17532%0.319CS..THydrogen-bonded Turntrans91.8-16.5-176.100000115.7T380 F421 C422T380-G382 PolarHBondContact O-N 2.82Å; G382-F421 CarbonylContact O-C 3.57Å; G382-F421 WeakPolarHBondContact O-CA 3.45Å; G382-F421 WeakPolarHBondContact O-CD2 3.34Å; G382-F421 WeakPolarHBondContact O-CE2 3.2Å; G382-C422 VanDerWaalsContact C-SG 3.57Å; G382-C422 VanDerWaalsContact CA-O 3.31Å; G382-C422 WeakPolarHBondContact CA-O 3.13Å; G382-C422 PolarHBondContact O-N 2.83Å
383N87.5Confident87.7Confident64 Ų6454 Ų5434%0.34230%0.301SS..EExtended strand (participates in β ladder)trans-121101.3-177.9-174.421.7000110.1P379 T380P379-N383 WeakPolarHBondContact CD-O 3.46Å; T380-N383 PolarHBondContact O-N 3.37Å; T380-N383 WeakPolarHBondContact OG1-CB 3.06Å
384C90.8Very high87.9Confident0 Ų051.5 Ų51.50%029%0.289CS..EExtended strand (participates in β ladder)trans-107.2148.4-179.5-66.70000111V376 E377 F420 C422V376-C384 HydrophobicContact CG1-CB 3.9Å; E377-C384 CarbonylContact O-C 3.6Å; E377-C384 VanDerWaalsContact O-CA 3.28Å; E377-C384 WeakPolarHBondContact O-CA 3.42Å; C384-F420 HydrophobicContact CB-CD1 4.11Å; C384-F420 HydrophobicContact CB-CE1 3.52Å; C384-F420 HydrophobicContact CB-CE2 4.05Å; C384-F420 HydrophobicContact CB-CZ 3.49Å; C384-F420 VanDerWaalsContact CB-CZ 3.49Å; C384-F420 PolarHBondContact N-O 3Å; C384-F420 WeakPolarHBondContact O-CD1 3.38Å; C384-F420 PolarHBondContact O-N 2.82Å; C384-C422 HydrophobicContact CB-CB 3.66Å; C384-C422 WeakPolarHBondContact CB-SG 3.21Å; C384-C422 PolarHBondContact N-SG 2.88Å; C384-C422 WeakPolarHBondContact SG-CB 3.32Å; C384-C422 CovalentContact SG-SG 2.03Å; C384-C422 PolarHBondContact SG-SG 2.83Å
385S91.8Very high87.9Confident10 Ų1055.8 Ų55.87%0.0731%0.308CS..EExtended strand (participates in β ladder)trans-123.3122.3169.736.70000110.5V376 E377 C418V376-S385 CarbonylContact C-O 3.59Å; V376-S385 VanDerWaalsContact CA-O 3.3Å; V376-S385 WeakPolarHBondContact CA-O 3.41Å; E377-S385 PolarHBondContact N-O 2.85Å; E377-S385 PolarHBondContact O-N 2.8Å; S385-C418 CarbonylContact C-O 3.58Å; S385-C418 VanDerWaalsContact CA-O 3.3Å; S385-C418 WeakPolarHBondContact CA-O 3.45Å
386V93.1Very high88.1Confident0 Ų054.9 Ų54.90%031%0.305CS..EExtended strand (participates in β ladder)trans-71.5130.4162.7-165.60000107.1I374 V376 W388 I401 T417 C418 F420 T430 V432I374-V386 HydrophobicContact CG2-CG1 3.88Å; V376-V386 HydrophobicContact CG2-CB 4.37Å; V376-V386 HydrophobicContact CG2-CG1 4.22Å; V376-V386 HydrophobicContact CG2-CG2 4.12Å; V386-W388 HydrophobicContact CB-CE3 4.44Å; V386-W388 HydrophobicContact CB-CZ3 4.12Å; V386-W388 HydrophobicContact CG1-CE3 4.06Å; V386-W388 HydrophobicContact CG1-CZ3 4.16Å; V386-W388 WeakPolarHBondContact O-CZ3 3.49Å; V386-I401 HydrophobicContact CG2-CD1 4.23Å; V386-I401 HydrophobicContact CG2-CG1 3.67Å; V386-T417 CarbonylContact O-C 3.6Å; V386-T417 WeakPolarHBondContact O-CA 3.45Å; V386-C418 PolarHBondContact N-O 3.22Å; V386-C418 PolarHBondContact O-N 2.87Å; V386-F420 HydrophobicContact CG2-CD1 3.9Å; V386-F420 HydrophobicContact CG2-CE1 3.5Å; V386-F420 HydrophobicContact CG2-CZ 4.45Å; V386-T430 HydrophobicContact CG1-CG2 4.2Å; V386-T430 HydrophobicContact CG2-CG2 3.65Å; V386-V432 HydrophobicContact CG1-CG2 4.5Å
387V93.6Very high88.3Confident13 Ų1354.6 Ų54.68%0.07930%0.303CS..EExtended strand (participates in β ladder)trans-128.7143.3-180-173.90000108W375 E377 T416 T417W375-V387 HydrophobicContact CD2-CB 4.2Å; W375-V387 HydrophobicContact CD2-CG1 4.41Å; W375-V387 HydrophobicContact CG-CB 4.48Å; W375-V387 HydrophobicContact CH2-CG1 3.94Å; W375-V387 HydrophobicContact CZ2-CB 4Å; W375-V387 HydrophobicContact CZ2-CG1 3.33Å; W375-V387 PolarHBondContact N-O 2.82Å; W375-V387 PolarHBondContact O-N 2.99Å; E377-V387 HydrophobicContact CG-CG2 4.12Å; V387-T416 WeakPolarHBondContact CA-O 3.26Å; V387-T417 HydrophobicContact CB-CG2 4.39Å; V387-T417 HydrophobicContact CG1-CG2 4.02Å; V387-T417 HydrophobicContact CG2-CG2 3.96Å
388W93.5Very high88.6Confident3 Ų351.1 Ų51.11%0.01129%0.288CS..EExtended strand (participates in β ladder)trans-140169.5176.852.596.1000110.3P371 N373 I374 V386 Y397 A399 T413 K415 T416 C418 V432P371-W388 HydrophobicContact CB-CB 4.14Å; P371-W388 HydrophobicContact CG-CB 4.34Å; P371-W388 HydrophobicContact CG-CG 4.41Å; N373-W388 WeakPolarHBondContact O-CA 3.43Å; I374-W388 HydrophobicContact CG1-CB 4.07Å; V386-W388 HydrophobicContact CB-CE3 4.44Å; V386-W388 HydrophobicContact CB-CZ3 4.12Å; V386-W388 HydrophobicContact CG1-CE3 4.06Å; V386-W388 HydrophobicContact CG1-CZ3 4.16Å; V386-W388 WeakPolarHBondContact O-CZ3 3.49Å; W388-Y397 AromaticContact CD1-CD1 3.87Å; W388-Y397 AromaticContact CD1-CE1 3.77Å; W388-Y397 AromaticContact CE2-CG 3.86Å; W388-Y397 HydrophobicContact CZ2-CD2 4.31Å; W388-Y397 AromaticContact CZ2-CG 3.93Å; W388-Y397 HydrophobicContact CZ2-CG 3.93Å; W388-Y397 AromaticContact NE1-CD1 3.17Å; W388-Y397 AromaticContact NE1-CD2 3.6Å; W388-Y397 AromaticContact NE1-CE1 3.42Å; W388-Y397 AromaticContact NE1-CE2 3.86Å; W388-Y397 AromaticContact NE1-CG 3.27Å; W388-Y397 VanDerWaalsContact NE1-CG 3.27Å; W388-Y397 AromaticContact NE1-CZ 3.78Å; W388-A399 HydrophobicContact CH2-CB 3.83Å; W388-A399 HydrophobicContact CZ3-CB 3.88Å; W388-T413 HydrophobicContact CH2-CG2 3.9Å; W388-T413 HydrophobicContact CZ2-CG2 3.89Å; W388-K415 WeakPolarHBondContact CZ2-O 3.33Å; W388-T416 PolarHBondContact N-O 2.83Å; W388-T416 VanDerWaalsContact N-O 3.1Å; W388-T416 VanDerWaalsContact O-CB 3.32Å; W388-T416 WeakPolarHBondContact O-CB 3.46Å; W388-C418 HydrophobicContact CH2-CB 3.83Å; W388-C418 HydrophobicContact CZ3-CB 3.89Å; W388-V432 HydrophobicContact CD2-CB 4.42Å; W388-V432 HydrophobicContact CD2-CG1 3.74Å; W388-V432 HydrophobicContact CD2-CG2 3.89Å; W388-V432 HydrophobicContact CE3-CG1 4.24Å; W388-V432 HydrophobicContact CE3-CG2 3.63Å; W388-V432 HydrophobicContact CG-CG1 3.99Å; W388-V432 HydrophobicContact CG-CG2 4.33Å; W388-V432 HydrophobicContact CZ2-CG1 4.16Å; W388-V432 HydrophobicContact CZ3-CG2 4.1Å
389E92.1Very high88.9Confident71 Ų7148.3 Ų48.333%0.33228%0.275SS..PPolyproline II helixtrans-76.9160.5173.372.1-160148.500112.9P371 E372 N373 V391P371-E389 HydrophobicContact CB-CG 4.25Å; E372-E389 WeakPolarHBondContact CA-OE1 3.43Å; E372-E389 WeakPolarHBondContact CB-OE1 3.48Å; E372-E389 PolarHBondContact N-OE1 3.28Å; N373-E389 PolarHBondContact N-OE1 3.18Å; N373-E389 PolarHBondContact O-N 2.84Å; E389-V391 PolarHBondContact O-N 2.97Å
390E89.8Confident89.7Confident168 Ų16848 Ų4879%0.78527%0.265SS*.PPolyproline II helixtrans-81.1116.4177.7-171173.1-177.200110.6T416E390-T416 HydrophobicContact CB-CG2 3.97Å; E390-T416 HydrophobicContact CG-CG2 4.44Å
391V91.7Very high90.4Very high14 Ų1444.3 Ų44.39%0.08524%0.242CC..PPolyproline II helixtrans-92.1132.6178.1178.80000109.8P368 C369 P371 E389 V394 Y397P368-V391 HydrophobicContact CB-CG1 4.38Å; C369-V391 WeakPolarHBondContact O-CG1 3.34Å; P371-V391 HydrophobicContact CB-CG2 4.03Å; P371-V391 HydrophobicContact CG-CG2 3.88Å; E389-V391 PolarHBondContact O-N 2.97Å; V391-V394 HydrophobicContact CB-CG2 3.81Å; V391-V394 HydrophobicContact CG1-CG2 3.77Å; V391-V394 WeakPolarHBondContact O-CG2 3.26Å; V391-Y397 HydrophobicContact CB-CE1 4.38Å; V391-Y397 HydrophobicContact CG2-CE1 4.4Å; V391-Y397 PolarHBondContact N-OH 2.82Å; V391-Y397 PolarHBondContact O-OH 2.89Å
392P89.1Confident91.2Very high91 Ų9143.9 Ų43.959%0.59122%0.222SC*.THydrogen-bonded Turntrans-68.8156.817829.4-36000112.5V394P392-V394 VanDerWaalsContact C-N 3.26Å; P392-V394 PolarHBondContact O-N 2.75Å
393L88.5Confident91.8Very high69 Ų6945.2 Ų45.236%0.36122%0.222SC..THydrogen-bonded Turntrans58.332.5-178.1-52.8177.6000114.1G340 N342 N436G340-L393 WeakPolarHBondContact O-CD1 3.46Å; N342-L393 HydrophobicContact CB-CD1 3.92Å; L393-N436 WeakPolarHBondContact O-CB 3.43Å; L393-N436 PolarHBondContact O-ND2 2.94Å
394V91.3Very high91.7Very high32 Ų3245.8 Ų45.819%0.19423%0.225CC..  trans-109.5137.1174.7179.40000110.7P368 V391 P392 Y396 Y397 P434P368-V394 HydrophobicContact CB-CG2 3.59Å; P368-V394 HydrophobicContact CG-CG2 3.97Å; V391-V394 HydrophobicContact CB-CG2 3.81Å; V391-V394 HydrophobicContact CG1-CG2 3.77Å; V391-V394 WeakPolarHBondContact O-CG2 3.26Å; P392-V394 VanDerWaalsContact C-N 3.26Å; P392-V394 PolarHBondContact O-N 2.75Å; V394-Y396 WeakPolarHBondContact CG1-O 3.3Å; V394-Y397 HydrophobicContact CG1-CD1 4.24Å; V394-Y397 HydrophobicContact CG1-CD2 4.16Å; V394-Y397 HydrophobicContact CG1-CE1 3.88Å; V394-Y397 HydrophobicContact CG1-CE2 3.76Å; V394-Y397 HydrophobicContact CG1-CG 4.36Å; V394-Y397 HydrophobicContact CG2-CE1 4.42Å; V394-P434 HydrophobicContact CB-CB 4.41Å; V394-P434 HydrophobicContact CG1-CB 3.85Å; V394-P434 HydrophobicContact CG2-CB 3.56Å
395E92.4Very high91.4Very high99 Ų9949.2 Ų49.246%0.46324%0.243SC..SBendtrans-95-39.7173.4-64.4-176.8160.700111.6Y435 Q437E395-Y435 PolarHBondContact N-O 2.82Å; E395-Q437 WeakPolarHBondContact OE1-CG 3.35Å; E395-Q437 PolarHBondContact OE1-NE2 3Å
396Y93.5Very high91Very high72 Ų7250.6 Ų50.628%0.28226%0.26SS..EExtended strand (participates in β ladder)trans-157.2168.1175.966.1-83.2000112V394 V398 N412 Y435V394-Y396 WeakPolarHBondContact CG1-O 3.3Å; Y396-V398 HydrophobicContact CD2-CG2 4.14Å; Y396-V398 HydrophobicContact CE2-CG2 3.85Å; Y396-N412 VanDerWaalsContact CD2-OD1 3.22Å; Y396-N412 WeakPolarHBondContact CD2-OD1 3.32Å; Y396-Y435 HydrophobicContact CD2-CD2 4.32Å; Y396-Y435 HydrophobicContact CD2-CG 4.27Å; Y396-Y435 HydrophobicContact CE1-CG 4.28Å; Y396-Y435 HydrophobicContact CE2-CD1 4.06Å; Y396-Y435 AromaticContact CE2-CD2 3.85Å; Y396-Y435 HydrophobicContact CE2-CD2 3.85Å; Y396-Y435 AromaticContact CE2-CG 3.58Å; Y396-Y435 HydrophobicContact CE2-CG 3.58Å; Y396-Y435 VanDerWaalsContact CZ-CB 3.42Å; Y396-Y435 AromaticContact CZ-CD1 3.78Å; Y396-Y435 AromaticContact CZ-CG 3.59Å; Y396-Y435 PolarHBondContact N-O 2.98Å; Y396-Y435 PolarHBondContact O-N 3.34Å; Y396-Y435 WeakPolarHBondContact OH-CD1 3.32Å
397Y94.2Very high90.7Very high9 Ų953.7 Ų53.74%0.03528%0.278CS..EExtended strand (participates in β ladder)trans-120.4143.6178.3-58-94.5000110.4W388 V391 V394 N412 T413 T416 V432 F433 P434W388-Y397 AromaticContact CD1-CD1 3.87Å; W388-Y397 AromaticContact CD1-CE1 3.77Å; W388-Y397 AromaticContact CE2-CG 3.86Å; W388-Y397 HydrophobicContact CZ2-CD2 4.31Å; W388-Y397 AromaticContact CZ2-CG 3.93Å; W388-Y397 HydrophobicContact CZ2-CG 3.93Å; W388-Y397 AromaticContact NE1-CD1 3.17Å; W388-Y397 AromaticContact NE1-CD2 3.6Å; W388-Y397 AromaticContact NE1-CE1 3.42Å; W388-Y397 AromaticContact NE1-CE2 3.86Å; W388-Y397 AromaticContact NE1-CG 3.27Å; W388-Y397 VanDerWaalsContact NE1-CG 3.27Å; W388-Y397 AromaticContact NE1-CZ 3.78Å; V391-Y397 HydrophobicContact CB-CE1 4.38Å; V391-Y397 HydrophobicContact CG2-CE1 4.4Å; V391-Y397 PolarHBondContact N-OH 2.82Å; V391-Y397 PolarHBondContact O-OH 2.89Å; V394-Y397 HydrophobicContact CG1-CD1 4.24Å; V394-Y397 HydrophobicContact CG1-CD2 4.16Å; V394-Y397 HydrophobicContact CG1-CE1 3.88Å; V394-Y397 HydrophobicContact CG1-CE2 3.76Å; V394-Y397 HydrophobicContact CG1-CG 4.36Å; V394-Y397 HydrophobicContact CG2-CE1 4.42Å; Y397-N412 WeakPolarHBondContact O-CA 3.49Å; Y397-T413 PolarHBondContact N-O 2.81Å; Y397-T413 PolarHBondContact O-N 3.2Å; Y397-T416 HydrophobicContact CE2-CG2 4.45Å; Y397-V432 HydrophobicContact CD1-CG1 3.89Å; Y397-V432 HydrophobicContact CG-CG1 4.46Å; Y397-F433 CarbonylContact C-O 3.6Å; Y397-F433 WeakPolarHBondContact CA-O 3.12Å; Y397-P434 HydrophobicContact CD1-CB 3.83Å; Y397-P434 HydrophobicContact CE1-CB 3.84Å
398V93.9Very high90.5Very high17 Ų1759 Ų5910%0.10330%0.303CS..EExtended strand (participates in β ladder)trans-113.8107.9165.7-173.70000108.7Y396 F400 C411 N412 F433 Y435Y396-V398 HydrophobicContact CD2-CG2 4.14Å; Y396-V398 HydrophobicContact CE2-CG2 3.85Å; V398-F400 HydrophobicContact CB-CE2 4.36Å; V398-F400 HydrophobicContact CG1-CD2 4.21Å; V398-F400 HydrophobicContact CG1-CE2 3.59Å; V398-F400 HydrophobicContact CG1-CZ 3.78Å; V398-C411 CarbonylContact C-O 3.59Å; V398-C411 VanDerWaalsContact CA-O 3.26Å; V398-C411 WeakPolarHBondContact CA-O 3.06Å; V398-N412 HydrophobicContact CG2-CB 4.43Å; V398-F433 PolarHBondContact N-O 3.05Å; V398-F433 PolarHBondContact O-N 2.84Å; V398-Y435 HydrophobicContact CB-CD2 4.36Å; V398-Y435 HydrophobicContact CB-CE2 3.75Å; V398-Y435 HydrophobicContact CG2-CD2 3.82Å; V398-Y435 HydrophobicContact CG2-CE2 3.45Å; V398-Y435 VanDerWaalsContact CG2-CE2 3.45Å
399A93.5Very high90.3Very high1 Ų163.9 Ų63.91%0.00832%0.324CS..EExtended strand (participates in β ladder)trans-94.1125.3174.400000109.7W388 I401 S410 C411 C418 S431 V432W388-A399 HydrophobicContact CH2-CB 3.83Å; W388-A399 HydrophobicContact CZ3-CB 3.88Å; A399-I401 HydrophobicContact CB-CD1 4.31Å; A399-S410 CarbonylContact O-C 3.42Å; A399-S410 VanDerWaalsContact O-CA 3.27Å; A399-S410 WeakPolarHBondContact O-CA 3.42Å; A399-C411 HydrophobicContact CB-CB 4.44Å; A399-C411 PolarHBondContact N-O 2.9Å; A399-C411 PolarHBondContact O-N 2.97Å; A399-C418 HydrophobicContact CB-CB 4.11Å; A399-S431 CarbonylContact C-O 3.55Å; A399-S431 WeakPolarHBondContact CA-O 3.48Å; A399-V432 HydrophobicContact CB-CG2 4.12Å
400F92.5Very high90.3Very high81 Ų8164 Ų6436%0.35533%0.332SS..EExtended strand (participates in β ladder)trans-100.1133.1169.5-65.1-91000109.4V398 T430 S431 F433V398-F400 HydrophobicContact CB-CE2 4.36Å; V398-F400 HydrophobicContact CG1-CD2 4.21Å; V398-F400 HydrophobicContact CG1-CE2 3.59Å; V398-F400 HydrophobicContact CG1-CZ 3.78Å; F400-T430 WeakPolarHBondContact O-CA 3.37Å; F400-S431 PolarHBondContact N-O 2.86Å; F400-S431 PolarHBondContact O-N 2.88Å; F400-F433 AromaticContact CD2-CD2 3.75Å; F400-F433 HydrophobicContact CD2-CD2 3.75Å; F400-F433 AromaticContact CD2-CE2 4Å; F400-F433 HydrophobicContact CD2-CE2 4Å; F400-F433 AromaticContact CE2-CD2 3.9Å; F400-F433 HydrophobicContact CE2-CD2 3.9Å; F400-F433 HydrophobicContact CE2-CE2 4.28Å
401I92.7Very high90.5Very high5 Ų557.1 Ų57.13%0.02630%0.302CS..EExtended strand (participates in β ladder)trans-123.6106.8177.6-58.191.7000106.7V386 A399 E408 K409 C418 F420 Y428 T430V386-I401 HydrophobicContact CG2-CD1 4.23Å; V386-I401 HydrophobicContact CG2-CG1 3.67Å; A399-I401 HydrophobicContact CB-CD1 4.31Å; I401-E408 WeakPolarHBondContact O-CA 3.3Å; I401-K409 PolarHBondContact N-O 3.32Å; I401-K409 PolarHBondContact O-N 2.03Å; I401-C418 WeakPolarHBondContact CD1-SG 3.3Å; I401-F420 HydrophobicContact CG1-CD1 4.41Å; I401-F420 HydrophobicContact CG2-CD2 3.98Å; I401-F420 HydrophobicContact CG2-CE1 4.49Å; I401-F420 HydrophobicContact CG2-CE2 3.88Å; I401-F420 HydrophobicContact CG2-CG 4.32Å; I401-F420 HydrophobicContact CG2-CZ 4.16Å; I401-Y428 HydrophobicContact CG2-CD1 3.86Å; I401-Y428 HydrophobicContact CG2-CG 4.47Å; I401-T430 HydrophobicContact CG1-CG2 4.04Å; I401-T430 HydrophobicContact CG2-CG2 4.22Å
402K91.3Very high90.6Very high85 Ų8561.7 Ų61.737%0.3733%0.327SS..EExtended strand (participates in β ladder)trans-105.9119.6178.5-179.7168.2-167147.10109.6E408 Y428 L429K402-E408 HydrophobicContact CB-CG 3.97Å; K402-E408 HydrophobicContact CD-CG 4.04Å; K402-E408 VanDerWaalsContact CD-OE1 3.31Å; K402-E408 WeakPolarHBondContact CD-OE1 3.3Å; K402-E408 WeakPolarHBondContact CE-OE1 3.28Å; K402-E408 HydrophobicContact CG-CG 3.78Å; K402-E408 IonicContact NZ-OE1 3.41Å; K402-E408 PolarHBondContact NZ-OE1 2.84Å; K402-Y428 CarbonylContact O-C 3.58Å; K402-L429 HydrophobicContact CB-CB 4.34Å; K402-L429 PolarHBondContact N-O 3.11Å; K402-L429 PolarHBondContact O-N 3.03Å
403R90.3Very high90.8Very high46 Ų4658.6 Ų58.617%0.17431%0.306CS..EExtended strand (participates in β ladder)trans-79.9150.4172.1-168.9166.272.8-154.44.1109.5D405 G406 T407 M423 Y426 Y428R403-D405 WeakPolarHBondContact CB-OD1 3.3Å; R403-D405 IonicContact CZ-OD1 3.49Å; R403-D405 IonicContact CZ-OD2 3.84Å; R403-D405 VanDerWaalsContact NE-CG 3.26Å; R403-D405 IonicContact NE-OD1 3.41Å; R403-D405 PolarHBondContact NE-OD1 3.22Å; R403-D405 VanDerWaalsContact NE-OD1 3.07Å; R403-D405 IonicContact NE-OD2 2.71Å; R403-D405 PolarHBondContact NE-OD2 2.81Å; R403-D405 IonicContact NH2-OD1 2.74Å; R403-D405 IonicContact NH2-OD2 3.17Å; R403-D405 PolarHBondContact NH2-OD2 2.64Å; R403-D405 PolarHBondContact O-N 2.93Å; R403-D405 VanDerWaalsContact O-N 3.12Å; R403-G406 PolarHBondContact O-N 3.15Å; R403-T407 WeakPolarHBondContact CB-OG1 3.37Å; R403-T407 PolarHBondContact N-O 2.92Å; R403-T407 PolarHBondContact NE-OG1 2.88Å; R403-T407 VanDerWaalsContact NE-OG1 3.08Å; R403-T407 PolarHBondContact NH2-OG1 2.03Å; R403-M423 VanDerWaalsContact NH1-CE 3.33Å; R403-Y426 HydrophobicContact CG-CD1 3.49Å; R403-Y426 VanDerWaalsContact CG-CD1 3.49Å; R403-Y426 HydrophobicContact CG-CE1 4.33Å; R403-Y426 HydrophobicContact CG-CG 4.1Å; R403-Y428 HydrophobicContact CB-CD1 4.03Å; R403-Y428 HydrophobicContact CB-CE1 3.91Å; R403-Y428 WeakPolarHBondContact CD-OH 3.32Å; R403-Y428 HydrophobicContact CG-CD1 4.16Å; R403-Y428 HydrophobicContact CG-CE1 3.73Å
404D86.4Confident91Very high75 Ų7560.6 Ų60.640%0.40132%0.321SS..THydrogen-bonded Turntrans-58.7-19.9-178.167.3-9.4000115.3G406 Y426 T427 K477D404-G406 PolarHBondContact O-N 3.07Å; D404-Y426 WeakPolarHBondContact OD1-CD1 3.22Å; D404-T427 PolarHBondContact N-O 2.98Å; D404-K477 IonicContact OD1-NZ 3.81Å; D404-K477 PolarHBondContact OD1-NZ 3.02Å; D404-K477 WeakPolarHBondContact OD2-CE 3.24Å; D404-K477 IonicContact OD2-NZ 2.77Å; D404-K477 PolarHBondContact OD2-NZ 2.88Å
405D85.1Confident91.1Very high72 Ų7265.9 Ų65.939%0.38534%0.342SS..THydrogen-bonded Turntrans-78.2-0.3171.169.6-3.8000114.2R403 T407 Y426R403-D405 WeakPolarHBondContact CB-OD1 3.3Å; R403-D405 IonicContact CZ-OD1 3.49Å; R403-D405 IonicContact CZ-OD2 3.84Å; R403-D405 VanDerWaalsContact NE-CG 3.26Å; R403-D405 IonicContact NE-OD1 3.41Å; R403-D405 PolarHBondContact NE-OD1 3.22Å; R403-D405 VanDerWaalsContact NE-OD1 3.07Å; R403-D405 IonicContact NE-OD2 2.71Å; R403-D405 PolarHBondContact NE-OD2 2.81Å; R403-D405 IonicContact NH2-OD1 2.74Å; R403-D405 IonicContact NH2-OD2 3.17Å; R403-D405 PolarHBondContact NH2-OD2 2.64Å; R403-D405 PolarHBondContact O-N 2.93Å; R403-D405 VanDerWaalsContact O-N 3.12Å; D405-T407 WeakPolarHBondContact OD1-CB 3.44Å; D405-T407 PolarHBondContact OD1-N 3.16Å; D405-T407 PolarHBondContact OD1-OG1 2.84Å; D405-Y426 HydrophobicContact CB-CE1 4.29Å
406G82.6Confident91.1Very high40 Ų4063.2 Ų63.241%0.41233%0.332SS..SBendtrans89.2-0.3-179.800000114.8R403 D404R403-G406 PolarHBondContact O-N 3.15Å; D404-G406 PolarHBondContact O-N 3.07Å
407T87.6Confident91Very high64 Ų6462.4 Ų62.439%0.39334%0.335SS..  trans-73133.8173.657.80000111.2R403 D405R403-T407 WeakPolarHBondContact CB-OG1 3.37Å; R403-T407 PolarHBondContact N-O 2.92Å; R403-T407 PolarHBondContact NE-OG1 2.88Å; R403-T407 VanDerWaalsContact NE-OG1 3.08Å; R403-T407 PolarHBondContact NH2-OG1 2.03Å; D405-T407 WeakPolarHBondContact OD1-CB 3.44Å; D405-T407 PolarHBondContact OD1-N 3.16Å; D405-T407 PolarHBondContact OD1-OG1 2.84Å
408E89.4Confident91Very high126 Ų12662.1 Ų62.159%0.58933%0.334SS*.EExtended strand (participates in β ladder)trans-121.3139.5-175.1-70.8177-172.900110.9I401 K402I401-E408 WeakPolarHBondContact O-CA 3.3Å; K402-E408 HydrophobicContact CB-CG 3.97Å; K402-E408 HydrophobicContact CD-CG 4.04Å; K402-E408 VanDerWaalsContact CD-OE1 3.31Å; K402-E408 WeakPolarHBondContact CD-OE1 3.3Å; K402-E408 WeakPolarHBondContact CE-OE1 3.28Å; K402-E408 HydrophobicContact CG-CG 3.78Å; K402-E408 IonicContact NZ-OE1 3.41Å; K402-E408 PolarHBondContact NZ-OE1 2.84Å
409K89.1Confident90.9Very high104 Ų10467.6 Ų67.645%0.45236%0.358SS..EExtended strand (participates in β ladder)trans-131.9138.1171.8-171.6-175179.3-164.60109I401 Q419 F420I401-K409 PolarHBondContact N-O 3.32Å; I401-K409 PolarHBondContact O-N 2.03Å; K409-Q419 PolarHBondContact NZ-O 3.49Å; K409-Q419 VanDerWaalsContact NZ-O 3.09Å; K409-F420 HydrophobicContact CD-CB 4.07Å
410S92.4Very high90.7Very high74 Ų7467.9 Ų67.952%0.51736%0.359SS..EExtended strand (participates in β ladder)trans-115.3146.8172.657.20000112A399A399-S410 CarbonylContact O-C 3.42Å; A399-S410 VanDerWaalsContact O-CA 3.27Å; A399-S410 WeakPolarHBondContact O-CA 3.42Å
411C92.1Very high90.5Very high23 Ų2371.1 Ų71.116%0.15537%0.374CS..EExtended strand (participates in β ladder)trans-117.8129.1167.4-76.70000108.6V398 A399 C418V398-C411 CarbonylContact C-O 3.59Å; V398-C411 VanDerWaalsContact CA-O 3.26Å; V398-C411 WeakPolarHBondContact CA-O 3.06Å; A399-C411 HydrophobicContact CB-CB 4.44Å; A399-C411 PolarHBondContact N-O 2.9Å; A399-C411 PolarHBondContact O-N 2.97Å; C411-C418 HydrophobicContact CB-CB 3.49Å; C411-C418 VanDerWaalsContact CB-CB 3.49Å; C411-C418 WeakPolarHBondContact CB-SG 3.43Å; C411-C418 WeakPolarHBondContact SG-CB 3.37Å; C411-C418 CovalentContact SG-SG 2.03Å; C411-C418 PolarHBondContact SG-SG 3.25Å
412N94.5Very high90.3Very high111 Ų11171 Ų7159%0.59437%0.373SS*.EExtended strand (participates in β ladder)trans-103.4124.9160.9-175.7-27.7000107.9Y396 Y397 V398Y396-N412 VanDerWaalsContact CD2-OD1 3.22Å; Y396-N412 WeakPolarHBondContact CD2-OD1 3.32Å; Y397-N412 WeakPolarHBondContact O-CA 3.49Å; V398-N412 HydrophobicContact CG2-CB 4.43Å
413T93.3Very high90.1Very high26 Ų2669.7 Ų69.716%0.1637%0.369CS..EExtended strand (participates in β ladder)trans-154.9143.5-171.7176.70000111.6W388 Y397 K415W388-T413 HydrophobicContact CH2-CG2 3.9Å; W388-T413 HydrophobicContact CZ2-CG2 3.89Å; Y397-T413 PolarHBondContact N-O 2.81Å; Y397-T413 PolarHBondContact O-N 3.2Å; T413-K415 VanDerWaalsContact C-N 3.33Å; T413-K415 VanDerWaalsContact CG2-O 3.3Å; T413-K415 WeakPolarHBondContact CG2-O 3.26Å; T413-K415 PolarHBondContact OG1-N 2.85Å; T413-K415 PolarHBondContact OG1-O 3.39Å
414T93Very high90Very high111 Ų11169.8 Ų69.868%0.68138%0.376SS*.SBendtrans-84.6-10.8169.356.20000112.7
415K92.4Very high90Very high143 Ų14366.3 Ų66.362%0.62236%0.358SS*.SBendtrans-89.9155.8176-58179.5-179.2179.80110.3W388 T413 T417W388-K415 WeakPolarHBondContact CZ2-O 3.33Å; T413-K415 VanDerWaalsContact C-N 3.33Å; T413-K415 VanDerWaalsContact CG2-O 3.3Å; T413-K415 WeakPolarHBondContact CG2-O 3.26Å; T413-K415 PolarHBondContact OG1-N 2.85Å; T413-K415 PolarHBondContact OG1-O 3.39Å; K415-T417 PolarHBondContact O-N 3.26Å
416T92.5Very high90.2Very high42 Ų4265.6 Ų65.626%0.25835%0.35SS..SBendtrans-74.621.8174.852.60000114.9V387 W388 E390 Y397V387-T416 WeakPolarHBondContact CA-O 3.26Å; W388-T416 PolarHBondContact N-O 2.83Å; W388-T416 VanDerWaalsContact N-O 3.1Å; W388-T416 VanDerWaalsContact O-CB 3.32Å; W388-T416 WeakPolarHBondContact O-CB 3.46Å; E390-T416 HydrophobicContact CB-CG2 3.97Å; E390-T416 HydrophobicContact CG-CG2 4.44Å; Y397-T416 HydrophobicContact CE2-CG2 4.45Å
417T93.1Very high90.5Very high55 Ų5565.5 Ų65.534%0.33734%0.342SS..EExtended strand (participates in β ladder)trans-140.6141.5-176.261.40000113V386 V387 K415V386-T417 CarbonylContact O-C 3.6Å; V386-T417 WeakPolarHBondContact O-CA 3.45Å; V387-T417 HydrophobicContact CB-CG2 4.39Å; V387-T417 HydrophobicContact CG1-CG2 4.02Å; V387-T417 HydrophobicContact CG2-CG2 3.96Å; K415-T417 PolarHBondContact O-N 3.26Å
418C93Very high90.6Very high3 Ų362.7 Ų62.72%0.0232%0.324CS..EExtended strand (participates in β ladder)trans-132119.8173.2162.20000110.5S385 V386 W388 A399 I401 C411S385-C418 CarbonylContact C-O 3.58Å; S385-C418 VanDerWaalsContact CA-O 3.3Å; S385-C418 WeakPolarHBondContact CA-O 3.45Å; V386-C418 PolarHBondContact N-O 3.22Å; V386-C418 PolarHBondContact O-N 2.87Å; W388-C418 HydrophobicContact CH2-CB 3.83Å; W388-C418 HydrophobicContact CZ3-CB 3.89Å; A399-C418 HydrophobicContact CB-CB 4.11Å; I401-C418 WeakPolarHBondContact CD1-SG 3.3Å; C411-C418 HydrophobicContact CB-CB 3.49Å; C411-C418 VanDerWaalsContact CB-CB 3.49Å; C411-C418 WeakPolarHBondContact CB-SG 3.43Å; C411-C418 WeakPolarHBondContact SG-CB 3.37Å; C411-C418 CovalentContact SG-SG 2.03Å; C411-C418 PolarHBondContact SG-SG 3.25Å
419Q91.3Very high90.7Very high132 Ų13260 Ų6062%0.61731%0.314SS*.EExtended strand (participates in β ladder)trans-90134.9178.6-73.7176.7-2700112.4K409K409-Q419 PolarHBondContact NZ-O 3.49Å; K409-Q419 VanDerWaalsContact NZ-O 3.09Å
420F90.4Very high90.8Very high7 Ų755.1 Ų55.13%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-144.9150.9177.272.8-76.9000112.2V376 C384 V386 I401 K409 C422 Y428V376-F420 HydrophobicContact CG1-CE1 4.03Å; V376-F420 HydrophobicContact CG1-CZ 4.14Å; C384-F420 HydrophobicContact CB-CD1 4.11Å; C384-F420 HydrophobicContact CB-CE1 3.52Å; C384-F420 HydrophobicContact CB-CE2 4.05Å; C384-F420 HydrophobicContact CB-CZ 3.49Å; C384-F420 VanDerWaalsContact CB-CZ 3.49Å; C384-F420 PolarHBondContact N-O 3Å; C384-F420 WeakPolarHBondContact O-CD1 3.38Å; C384-F420 PolarHBondContact O-N 2.82Å; V386-F420 HydrophobicContact CG2-CD1 3.9Å; V386-F420 HydrophobicContact CG2-CE1 3.5Å; V386-F420 HydrophobicContact CG2-CZ 4.45Å; I401-F420 HydrophobicContact CG1-CD1 4.41Å; I401-F420 HydrophobicContact CG2-CD2 3.98Å; I401-F420 HydrophobicContact CG2-CE1 4.49Å; I401-F420 HydrophobicContact CG2-CE2 3.88Å; I401-F420 HydrophobicContact CG2-CG 4.32Å; I401-F420 HydrophobicContact CG2-CZ 4.16Å; K409-F420 HydrophobicContact CD-CB 4.07Å; F420-C422 HydrophobicContact CD2-CB 4.2Å; F420-C422 HydrophobicContact CE2-CB 3.69Å; F420-C422 HydrophobicContact CZ-CB 4.3Å; F420-C422 PolarHBondContact O-N 2.04Å; F420-Y428 HydrophobicContact CD2-CD1 4.31Å; F420-Y428 HydrophobicContact CD2-CE1 4.32Å; F420-Y428 AromaticContact CE2-CD1 3.58Å; F420-Y428 HydrophobicContact CE2-CD1 3.58Å; F420-Y428 HydrophobicContact CE2-CD2 4.33Å; F420-Y428 AromaticContact CE2-CE1 3.82Å; F420-Y428 HydrophobicContact CE2-CE1 3.82Å; F420-Y428 AromaticContact CE2-CG 3.86Å; F420-Y428 HydrophobicContact CE2-CG 3.86Å; F420-Y428 HydrophobicContact CZ-CD1 4.4Å; F420-Y428 HydrophobicContact CZ-CG 4.3Å
421F88.8Confident90.8Very high149 Ų14952.6 Ų52.665%0.65428%0.275SS*.EExtended strand (participates in β ladder)trans-78.1122.5173.6-177-102000109G382 M423G382-F421 CarbonylContact O-C 3.57Å; G382-F421 WeakPolarHBondContact O-CA 3.45Å; G382-F421 WeakPolarHBondContact O-CD2 3.34Å; G382-F421 WeakPolarHBondContact O-CE2 3.2Å; F421-M423 HydrophobicContact CD1-CG 4.19Å; F421-M423 HydrophobicContact CE1-CG 3.82Å
422C88.3Confident90.9Very high2 Ų251.5 Ų51.51%0.01427%0.267CS..  trans-113.9111.5-176.255.10000110.5G382 C384 F420 Y428 T451G382-C422 VanDerWaalsContact C-SG 3.57Å; G382-C422 VanDerWaalsContact CA-O 3.31Å; G382-C422 WeakPolarHBondContact CA-O 3.13Å; G382-C422 PolarHBondContact O-N 2.83Å; C384-C422 HydrophobicContact CB-CB 3.66Å; C384-C422 WeakPolarHBondContact CB-SG 3.21Å; C384-C422 PolarHBondContact N-SG 2.88Å; C384-C422 WeakPolarHBondContact SG-CB 3.32Å; C384-C422 CovalentContact SG-SG 2.03Å; C384-C422 PolarHBondContact SG-SG 2.83Å; F420-C422 HydrophobicContact CD2-CB 4.2Å; F420-C422 HydrophobicContact CE2-CB 3.69Å; F420-C422 HydrophobicContact CZ-CB 4.3Å; F420-C422 PolarHBondContact O-N 2.04Å; C422-Y428 HydrophobicContact CB-CE2 4.11Å; C422-T451 HydrophobicContact CB-CG2 4.07Å
423M87.4Confident90.8Very high59 Ų5948.6 Ų48.629%0.29125%0.249SC..  trans-74.1136172.6-50.6-173-3700109.8R403 F421 Y426 Y428 T451R403-M423 VanDerWaalsContact NH1-CE 3.33Å; F421-M423 HydrophobicContact CD1-CG 4.19Å; F421-M423 HydrophobicContact CE1-CG 3.82Å; M423-Y426 HydrophobicContact CB-CD2 3.91Å; M423-Y426 HydrophobicContact CB-CE2 4.23Å; M423-Y426 HydrophobicContact CE-CD1 4.44Å; M423-Y426 HydrophobicContact CE-CD2 3.93Å; M423-Y426 HydrophobicContact CE-CE1 3.98Å; M423-Y426 HydrophobicContact CE-CE2 3.46Å; M423-Y426 VanDerWaalsContact CE-CE2 3.46Å; M423-Y426 HydrophobicContact CE-CG 4.43Å; M423-Y426 VanDerWaalsContact CE-CZ 3.48Å; M423-Y428 PolarHBondContact N-OH 3.38Å; M423-Y428 PolarHBondContact O-OH 2.93Å; M423-Y428 VanDerWaalsContact O-OH 3.13Å; M423-T451 PolarHBondContact O-OG1 2.98Å
424C87.5Confident90.8Very high48 Ų4847.3 Ų47.332%0.32424%0.242SC..THydrogen-bonded Turntrans-60.6149.4176.744.90000112.9Y426 T451 I452 C454C424-Y426 VanDerWaalsContact C-N 3.27Å; C424-Y426 VanDerWaalsContact O-CD2 3.28Å; C424-Y426 WeakPolarHBondContact O-CD2 3.28Å; C424-Y426 PolarHBondContact O-N 2.8Å; C424-T451 WeakPolarHBondContact CA-OG1 3.4Å; C424-I452 CarbonylContact C-O 3.57Å; C424-I452 WeakPolarHBondContact CA-O 3.4Å; C424-I452 WeakPolarHBondContact CB-O 3.18Å; C424-C454 HydrophobicContact CB-CB 4.02Å; C424-C454 WeakPolarHBondContact CB-SG 3Å; C424-C454 PolarHBondContact O-SG 2.75Å; C424-C454 WeakPolarHBondContact SG-CA 3.47Å; C424-C454 WeakPolarHBondContact SG-CB 2.94Å; C424-C454 CovalentContact SG-SG 2.04Å; C424-C454 PolarHBondContact SG-SG 3.21Å
425G86.3Confident90.8Very high2 Ų244.8 Ų44.82%0.02122%0.22CC..THydrogen-bonded Turntrans73.110.6-178.900000115.6T451 I452 K477G425-T451 PolarHBondContact N-OG1 2.92Å; G425-T451 VanDerWaalsContact N-OG1 3.11Å; G425-I452 PolarHBondContact N-O 3.26Å; G425-K477 WeakPolarHBondContact CA-O 3.37Å; G425-K477 CarbonylContact O-C 3.59Å; G425-K477 VanDerWaalsContact O-CG 3.31Å; G425-K477 WeakPolarHBondContact O-CG 3.34Å
426Y89.1Confident90.7Very high56 Ų5638.6 Ų38.622%0.2219%0.194CC..  trans-111.3147.1176.6-74.8-103.6000111.8R403 D404 D405 M423 C424 Y428 T451 K477R403-Y426 HydrophobicContact CG-CD1 3.49Å; R403-Y426 VanDerWaalsContact CG-CD1 3.49Å; R403-Y426 HydrophobicContact CG-CE1 4.33Å; R403-Y426 HydrophobicContact CG-CG 4.1Å; D404-Y426 WeakPolarHBondContact OD1-CD1 3.22Å; D405-Y426 HydrophobicContact CB-CE1 4.29Å; M423-Y426 HydrophobicContact CB-CD2 3.91Å; M423-Y426 HydrophobicContact CB-CE2 4.23Å; M423-Y426 HydrophobicContact CE-CD1 4.44Å; M423-Y426 HydrophobicContact CE-CD2 3.93Å; M423-Y426 HydrophobicContact CE-CE1 3.98Å; M423-Y426 HydrophobicContact CE-CE2 3.46Å; M423-Y426 VanDerWaalsContact CE-CE2 3.46Å; M423-Y426 HydrophobicContact CE-CG 4.43Å; M423-Y426 VanDerWaalsContact CE-CZ 3.48Å; C424-Y426 VanDerWaalsContact C-N 3.27Å; C424-Y426 VanDerWaalsContact O-CD2 3.28Å; C424-Y426 WeakPolarHBondContact O-CD2 3.28Å; C424-Y426 PolarHBondContact O-N 2.8Å; Y426-Y428 WeakPolarHBondContact O-CE2 3.36Å; Y426-T451 PolarHBondContact N-OG1 3.48Å; Y426-T451 PolarHBondContact O-N 3.15Å; Y426-T451 PolarHBondContact O-OG1 2.84Å; Y426-K477 HydrophobicContact CD1-CD 4.24Å; Y426-K477 HydrophobicContact CD2-CD 4.37Å; Y426-K477 HydrophobicContact CE1-CD 4.04Å; Y426-K477 HydrophobicContact CE2-CD 4.13Å; Y426-K477 HydrophobicContact CG-CD 4.4Å
427T88.9Confident90.5Very high38 Ų3844.2 Ų44.223%0.23322%0.217CC..EExtended strand (participates in β ladder)trans-95.5133.3168.9-54.20000110.3D404 N448 Y449 T450D404-T427 PolarHBondContact N-O 2.98Å; T427-N448 HydrophobicContact CG2-CB 4.22Å; T427-Y449 WeakPolarHBondContact CA-O 3.47Å; T427-T450 PolarHBondContact OG1-OG1 2.97Å
428Y90Very high90.1Very high5 Ų543 Ų432%0.0221%0.212CC..EExtended strand (participates in β ladder)trans-113.6124.1177.3-61.6-92.5000109.4I401 K402 R403 F420 C422 M423 Y426 N448 Y449 T451I401-Y428 HydrophobicContact CG2-CD1 3.86Å; I401-Y428 HydrophobicContact CG2-CG 4.47Å; K402-Y428 CarbonylContact O-C 3.58Å; R403-Y428 HydrophobicContact CB-CD1 4.03Å; R403-Y428 HydrophobicContact CB-CE1 3.91Å; R403-Y428 WeakPolarHBondContact CD-OH 3.32Å; R403-Y428 HydrophobicContact CG-CD1 4.16Å; R403-Y428 HydrophobicContact CG-CE1 3.73Å; F420-Y428 HydrophobicContact CD2-CD1 4.31Å; F420-Y428 HydrophobicContact CD2-CE1 4.32Å; F420-Y428 AromaticContact CE2-CD1 3.58Å; F420-Y428 HydrophobicContact CE2-CD1 3.58Å; F420-Y428 HydrophobicContact CE2-CD2 4.33Å; F420-Y428 AromaticContact CE2-CE1 3.82Å; F420-Y428 HydrophobicContact CE2-CE1 3.82Å; F420-Y428 AromaticContact CE2-CG 3.86Å; F420-Y428 HydrophobicContact CE2-CG 3.86Å; F420-Y428 HydrophobicContact CZ-CD1 4.4Å; F420-Y428 HydrophobicContact CZ-CG 4.3Å; C422-Y428 HydrophobicContact CB-CE2 4.11Å; M423-Y428 PolarHBondContact N-OH 3.38Å; M423-Y428 PolarHBondContact O-OH 2.93Å; M423-Y428 VanDerWaalsContact O-OH 3.13Å; Y426-Y428 WeakPolarHBondContact O-CE2 3.36Å; Y428-N448 CarbonylContact O-C 3.54Å; Y428-N448 WeakPolarHBondContact O-CA 3.24Å; Y428-Y449 PolarHBondContact N-O 3.5Å; Y428-Y449 PolarHBondContact O-N 3.37Å; Y428-T451 HydrophobicContact CD2-CG2 4.13Å; Y428-T451 HydrophobicContact CE2-CG2 3.76Å
429L91.4Very high89.8Confident70 Ų7043.9 Ų43.937%0.36622%0.223SC..EExtended strand (participates in β ladder)trans-93.5116.5171.7-65.2162.3000107.6K402 V446 R447 N448K402-L429 HydrophobicContact CB-CB 4.34Å; K402-L429 PolarHBondContact N-O 3.11Å; K402-L429 PolarHBondContact O-N 3.03Å; L429-V446 HydrophobicContact CB-CG1 4.13Å; L429-V446 HydrophobicContact CD2-CG1 3.89Å; L429-R447 CarbonylContact C-O 3.55Å; L429-R447 WeakPolarHBondContact CA-O 3.43Å; L429-N448 HydrophobicContact CD2-CB 4.03Å
430T91.6Very high89.7Confident1 Ų139.5 Ų39.51%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-111.5137.1-178.960.50000110.2V376 V386 F400 I401 V446 R447V376-T430 HydrophobicContact CG2-CG2 4.21Å; V386-T430 HydrophobicContact CG1-CG2 4.2Å; V386-T430 HydrophobicContact CG2-CG2 3.65Å; F400-T430 WeakPolarHBondContact O-CA 3.37Å; I401-T430 HydrophobicContact CG1-CG2 4.04Å; I401-T430 HydrophobicContact CG2-CG2 4.22Å; T430-V446 WeakPolarHBondContact O-CA 3.43Å; T430-R447 PolarHBondContact N-O 2.81Å; T430-R447 PolarHBondContact O-N 3.28Å; T430-R447 PolarHBondContact OG1-O 2.82Å
431S92.4Very high89.6Confident21 Ų2139.3 Ų39.315%0.14720%0.204CC..EExtended strand (participates in β ladder)trans-139.7133.9172.256.90000109.9A399 F400A399-S431 CarbonylContact C-O 3.55Å; A399-S431 WeakPolarHBondContact CA-O 3.48Å; F400-S431 PolarHBondContact N-O 2.86Å; F400-S431 PolarHBondContact O-N 2.88Å
432V93.6Very high89.1Confident0 Ų036.7 Ų36.70%020%0.197CC..EExtended strand (participates in β ladder)trans-116.2118.2-174.6-177.90000109.3P371 I374 V386 W388 Y397 A399 P434 A444P371-V432 HydrophobicContact CG-CB 4.31Å; P371-V432 HydrophobicContact CG-CG1 4.09Å; I374-V432 HydrophobicContact CD1-CB 4.02Å; I374-V432 HydrophobicContact CD1-CG2 3.99Å; I374-V432 HydrophobicContact CG1-CG2 4.35Å; I374-V432 HydrophobicContact CG2-CG2 4.09Å; V386-V432 HydrophobicContact CG1-CG2 4.5Å; W388-V432 HydrophobicContact CD2-CB 4.42Å; W388-V432 HydrophobicContact CD2-CG1 3.74Å; W388-V432 HydrophobicContact CD2-CG2 3.89Å; W388-V432 HydrophobicContact CE3-CG1 4.24Å; W388-V432 HydrophobicContact CE3-CG2 3.63Å; W388-V432 HydrophobicContact CG-CG1 3.99Å; W388-V432 HydrophobicContact CG-CG2 4.33Å; W388-V432 HydrophobicContact CZ2-CG1 4.16Å; W388-V432 HydrophobicContact CZ3-CG2 4.1Å; Y397-V432 HydrophobicContact CD1-CG1 3.89Å; Y397-V432 HydrophobicContact CG-CG1 4.46Å; A399-V432 HydrophobicContact CB-CG2 4.12Å; V432-P434 WeakPolarHBondContact O-CD 3.14Å; V432-A444 WeakPolarHBondContact O-CB 3.38Å
433F93Very high88.7Confident50 Ų5042.8 Ų42.822%0.21922%0.223CC..EExtended strand (participates in β ladder)trans-104.9109177-71.7-91.9000109.6Y397 V398 F400 Y435 A444Y397-F433 CarbonylContact C-O 3.6Å; Y397-F433 WeakPolarHBondContact CA-O 3.12Å; V398-F433 PolarHBondContact N-O 3.05Å; V398-F433 PolarHBondContact O-N 2.84Å; F400-F433 AromaticContact CD2-CD2 3.75Å; F400-F433 HydrophobicContact CD2-CD2 3.75Å; F400-F433 AromaticContact CD2-CE2 4Å; F400-F433 HydrophobicContact CD2-CE2 4Å; F400-F433 AromaticContact CE2-CD2 3.9Å; F400-F433 HydrophobicContact CE2-CD2 3.9Å; F400-F433 HydrophobicContact CE2-CE2 4.28Å; F433-Y435 HydrophobicContact CB-CD2 4.48Å; F433-Y435 HydrophobicContact CB-CE2 3.79Å; F433-Y435 VanDerWaalsContact O-CD2 3.26Å; F433-Y435 WeakPolarHBondContact O-CD2 3.5Å; F433-Y435 WeakPolarHBondContact O-CE2 3.26Å; F433-A444 HydrophobicContact CD1-CB 3.89Å; F433-A444 HydrophobicContact CD2-CB 3.9Å; F433-A444 HydrophobicContact CE1-CB 3.62Å; F433-A444 HydrophobicContact CE2-CB 3.65Å; F433-A444 HydrophobicContact CG-CB 4.03Å; F433-A444 HydrophobicContact CZ-CB 3.5Å
434P93.6Very high88.6Confident0 Ų040.8 Ų40.80%022%0.216CC..EExtended strand (participates in β ladder)trans-71.1151.9167.625.3-29.4000111.5P368 C369 V394 Y397 V432 T440 S441P368-P434 HydrophobicContact CB-CB 3.85Å; P368-P434 HydrophobicContact CB-CG 3.86Å; P368-P434 HydrophobicContact CG-CB 4.08Å; P368-P434 HydrophobicContact CG-CG 4.39Å; C369-P434 VanDerWaalsContact O-CG 3.24Å; C369-P434 WeakPolarHBondContact O-CG 3.4Å; V394-P434 HydrophobicContact CB-CB 4.41Å; V394-P434 HydrophobicContact CG1-CB 3.85Å; V394-P434 HydrophobicContact CG2-CB 3.56Å; Y397-P434 HydrophobicContact CD1-CB 3.83Å; Y397-P434 HydrophobicContact CE1-CB 3.84Å; V432-P434 WeakPolarHBondContact O-CD 3.14Å; P434-T440 VanDerWaalsContact O-CA 3.3Å; P434-T440 WeakPolarHBondContact O-CA 3.4Å; P434-T440 PolarHBondContact O-OG1 2.89Å; P434-S441 PolarHBondContact O-N 3.33Å
435Y92.1Very high88.5Confident58 Ų5841.2 Ų41.223%0.22722%0.215CC..EExtended strand (participates in β ladder)trans-132.7141.5180-76.7-106000111.5E395 Y396 V398 F433 G439 T440E395-Y435 PolarHBondContact N-O 2.82Å; Y396-Y435 HydrophobicContact CD2-CD2 4.32Å; Y396-Y435 HydrophobicContact CD2-CG 4.27Å; Y396-Y435 HydrophobicContact CE1-CG 4.28Å; Y396-Y435 HydrophobicContact CE2-CD1 4.06Å; Y396-Y435 AromaticContact CE2-CD2 3.85Å; Y396-Y435 HydrophobicContact CE2-CD2 3.85Å; Y396-Y435 AromaticContact CE2-CG 3.58Å; Y396-Y435 HydrophobicContact CE2-CG 3.58Å; Y396-Y435 VanDerWaalsContact CZ-CB 3.42Å; Y396-Y435 AromaticContact CZ-CD1 3.78Å; Y396-Y435 AromaticContact CZ-CG 3.59Å; Y396-Y435 PolarHBondContact N-O 2.98Å; Y396-Y435 PolarHBondContact O-N 3.34Å; Y396-Y435 WeakPolarHBondContact OH-CD1 3.32Å; V398-Y435 HydrophobicContact CB-CD2 4.36Å; V398-Y435 HydrophobicContact CB-CE2 3.75Å; V398-Y435 HydrophobicContact CG2-CD2 3.82Å; V398-Y435 HydrophobicContact CG2-CE2 3.45Å; V398-Y435 VanDerWaalsContact CG2-CE2 3.45Å; F433-Y435 HydrophobicContact CB-CD2 4.48Å; F433-Y435 HydrophobicContact CB-CE2 3.79Å; F433-Y435 VanDerWaalsContact O-CD2 3.26Å; F433-Y435 WeakPolarHBondContact O-CD2 3.5Å; F433-Y435 WeakPolarHBondContact O-CE2 3.26Å; Y435-G439 CarbonylContact C-O 3.55Å; Y435-G439 WeakPolarHBondContact CA-O 3.48Å; Y435-T440 HydrophobicContact CE1-CG2 4.23Å; Y435-T440 VanDerWaalsContact CE2-OG1 3.3Å; Y435-T440 WeakPolarHBondContact CE2-OG1 3.38Å
436N91.3Very high88.5Confident13 Ų1345.1 Ų45.17%0.0724%0.238CC..  trans-145.6-170.5168.771.88.1000110.3I365 T366 P368 L393 A438 G439I365-N436 HydrophobicContact CD1-CB 4.4Å; T366-N436 PolarHBondContact O-ND2 3.04Å; T366-N436 VanDerWaalsContact O-ND2 3.13Å; P368-N436 HydrophobicContact CG-CB 4.07Å; L393-N436 WeakPolarHBondContact O-CB 3.43Å; L393-N436 PolarHBondContact O-ND2 2.94Å; N436-A438 PolarHBondContact O-N 3.32Å; N436-A438 WeakPolarHBondContact OD1-CA 3.41Å; N436-A438 VanDerWaalsContact OD1-CB 3.28Å; N436-A438 WeakPolarHBondContact OD1-CB 3.18Å; N436-A438 PolarHBondContact OD1-N 3.38Å; N436-G439 PolarHBondContact N-O 2.89Å; N436-G439 WeakPolarHBondContact O-CA 3.25Å; N436-G439 PolarHBondContact O-N 3.38Å; N436-G439 PolarHBondContact OD1-N 2.92Å; N436-G439 VanDerWaalsContact OD1-N 3.17Å; N436-G439 PolarHBondContact OD1-O 2.88Å
437Q86.8Confident88.4Confident160 Ų16046.8 Ų46.875%0.74824%0.244SC*.SBendtrans-64.3-26-177.9-52.8179.8-1.400113.9I365 E395I365-Q437 HydrophobicContact CD1-CB 4.14Å; E395-Q437 WeakPolarHBondContact OE1-CG 3.35Å; E395-Q437 PolarHBondContact OE1-NE2 3Å
438A85.1Confident88.5Confident28 Ų2850.5 Ų50.523%0.23126%0.263CS..SBendtrans-72.8-35.9172.300000111.6L294 I365 Y367 N436L294-A438 HydrophobicContact CD1-CB 3.28Å; I365-A438 HydrophobicContact CG1-CB 4.02Å; Y367-A438 HydrophobicContact CD1-CB 4.19Å; Y367-A438 WeakPolarHBondContact CE1-O 3.38Å; N436-A438 PolarHBondContact O-N 3.32Å; N436-A438 WeakPolarHBondContact OD1-CA 3.41Å; N436-A438 VanDerWaalsContact OD1-CB 3.28Å; N436-A438 WeakPolarHBondContact OD1-CB 3.18Å; N436-A438 PolarHBondContact OD1-N 3.38Å
439G86.4Confident88.4Confident23 Ų2351.5 Ų51.524%0.23727%0.267CS..  trans143.7-142.2176.400000111.7Y435 N436Y435-G439 CarbonylContact C-O 3.55Å; Y435-G439 WeakPolarHBondContact CA-O 3.48Å; N436-G439 PolarHBondContact N-O 2.89Å; N436-G439 WeakPolarHBondContact O-CA 3.25Å; N436-G439 PolarHBondContact O-N 3.38Å; N436-G439 PolarHBondContact OD1-N 2.92Å; N436-G439 VanDerWaalsContact OD1-N 3.17Å; N436-G439 PolarHBondContact OD1-O 2.88Å
440T89.3Confident88.2Confident40 Ų4049.1 Ų49.125%0.24526%0.255CS..BIsolated β-bridgetrans-108.8162.9179-166.10000112.4Y367 P434 Y435Y367-T440 WeakPolarHBondContact CD1-O 3.33Å; P434-T440 VanDerWaalsContact O-CA 3.3Å; P434-T440 WeakPolarHBondContact O-CA 3.4Å; P434-T440 PolarHBondContact O-OG1 2.89Å; Y435-T440 HydrophobicContact CE1-CG2 4.23Å; Y435-T440 VanDerWaalsContact CE2-OG1 3.3Å; Y435-T440 WeakPolarHBondContact CE2-OG1 3.38Å
441S88.1Confident88Confident3 Ų349 Ų492%0.02126%0.255CS..  trans-59139.7172.865.70000111P368 P434 F443P368-S441 WeakPolarHBondContact O-CB 3.06Å; P434-S441 PolarHBondContact O-N 3.33Å; S441-F443 VanDerWaalsContact CB-O 3.32Å; S441-F443 WeakPolarHBondContact CB-O 3.06Å; S441-F443 PolarHBondContact O-N 3.03Å; S441-F443 PolarHBondContact OG-O 3.17Å
442L79.4Confident87.8Confident93 Ų9350.1 Ų50.149%0.48726%0.258SS..SBendtrans-63.5-25.3-177.7-68.4174.2000113.2P296 L300 Y367P296-L442 HydrophobicContact CB-CD2 4.41Å; L300-L442 HydrophobicContact CB-CD1 4.48Å; L300-L442 HydrophobicContact CD1-CD1 4.34Å; Y367-L442 HydrophobicContact CD2-CD2 4.27Å; Y367-L442 HydrophobicContact CD2-CG 4.2Å; Y367-L442 HydrophobicContact CE2-CD2 4.12Å
443F79.9Confident87.6Confident130 Ų13050.1 Ų50.157%0.5726%0.258SS*.  trans-145164.3175.254-86.2000108.9P370 S441P370-F443 HydrophobicContact CG-CD2 4.11Å; P370-F443 HydrophobicContact CG-CE2 3.74Å; P370-F443 HydrophobicContact CG-CZ 4.39Å; S441-F443 VanDerWaalsContact CB-O 3.32Å; S441-F443 WeakPolarHBondContact CB-O 3.06Å; S441-F443 PolarHBondContact O-N 3.03Å; S441-F443 PolarHBondContact OG-O 3.17Å
444A84.8Confident87.4Confident17 Ų1749.5 Ų49.514%0.1426%0.26CS..  trans-134.2141.7170.300000108.5V432 F433V432-A444 WeakPolarHBondContact O-CB 3.38Å; F433-A444 HydrophobicContact CD1-CB 3.89Å; F433-A444 HydrophobicContact CD2-CB 3.9Å; F433-A444 HydrophobicContact CE1-CB 3.62Å; F433-A444 HydrophobicContact CE2-CB 3.65Å; F433-A444 HydrophobicContact CG-CB 4.03Å; F433-A444 HydrophobicContact CZ-CB 3.5Å
445D84.8Confident87.1Confident57 Ų5751.4 Ų51.431%0.30527%0.273SS..  trans-67.8135.4172.7-93.20.7000110.3R447D445-R447 IonicContact OD2-CZ 3.87Å; D445-R447 IonicContact OD2-NH1 2.62Å; D445-R447 PolarHBondContact OD2-NH1 3.1Å; D445-R447 IonicContact OD2-NH2 3.33Å; D445-R447 PolarHBondContact OD2-NH2 2.89Å
446V87.4Confident87Confident85 Ų8549.4 Ų49.452%0.51527%0.267SS..EExtended strand (participates in β ladder)trans-96.4122173.9-175.40000108.2L429 T430L429-V446 HydrophobicContact CB-CG1 4.13Å; L429-V446 HydrophobicContact CD2-CG1 3.89Å; T430-V446 WeakPolarHBondContact O-CA 3.43Å
447R87.3Confident86.4Confident90 Ų9057.4 Ų57.434%0.3430%0.304SS..EExtended strand (participates in β ladder)trans-110140.8170.7-62.9-62.8-176.8-111.5-10.2109.6E372 I374 L429 T430 D445E372-R447 PolarHBondContact O-NH2 2.88Å; E372-R447 VanDerWaalsContact O-NH2 3.1Å; I374-R447 HydrophobicContact CB-CG 4.03Å; I374-R447 HydrophobicContact CG2-CG 4.48Å; L429-R447 CarbonylContact C-O 3.55Å; L429-R447 WeakPolarHBondContact CA-O 3.43Å; T430-R447 PolarHBondContact N-O 2.81Å; T430-R447 PolarHBondContact O-N 3.28Å; T430-R447 PolarHBondContact OG1-O 2.82Å; D445-R447 IonicContact OD2-CZ 3.87Å; D445-R447 IonicContact OD2-NH1 2.62Å; D445-R447 PolarHBondContact OD2-NH1 3.1Å; D445-R447 IonicContact OD2-NH2 3.33Å; D445-R447 PolarHBondContact OD2-NH2 2.89Å
448N90.3Very high86.2Confident117 Ų11754.1 Ų54.163%0.62629%0.291SS*.EExtended strand (participates in β ladder)trans-101.9137.9175.657.2-18.9000110.4T427 Y428 L429T427-N448 HydrophobicContact CG2-CB 4.22Å; Y428-N448 CarbonylContact O-C 3.54Å; Y428-N448 WeakPolarHBondContact O-CA 3.24Å; L429-N448 HydrophobicContact CD2-CB 4.03Å
449Y87.4Confident86.3Confident26 Ų2654.3 Ų54.310%0.10229%0.29CS..EExtended strand (participates in β ladder)trans-133.9107.9177.1-171.1-93.4000110.2V376 T427 Y428 T451 R524V376-Y449 HydrophobicContact CB-CD1 4.18Å; V376-Y449 HydrophobicContact CB-CD2 3.49Å; V376-Y449 VanDerWaalsContact CB-CD2 3.49Å; V376-Y449 HydrophobicContact CB-CE1 4.29Å; V376-Y449 HydrophobicContact CB-CE2 3.54Å; V376-Y449 HydrophobicContact CB-CG 3.75Å; V376-Y449 HydrophobicContact CG1-CD1 3.98Å; V376-Y449 HydrophobicContact CG1-CD2 4.17Å; V376-Y449 HydrophobicContact CG1-CE1 3.9Å; V376-Y449 HydrophobicContact CG1-CE2 4Å; V376-Y449 HydrophobicContact CG1-CG 4.08Å; V376-Y449 HydrophobicContact CG2-CD2 4.07Å; V376-Y449 HydrophobicContact CG2-CG 4.05Å; V376-Y449 WeakPolarHBondContact O-CE2 3.38Å; V376-Y449 PolarHBondContact O-OH 3.4Å; T427-Y449 WeakPolarHBondContact CA-O 3.47Å; Y428-Y449 PolarHBondContact N-O 3.5Å; Y428-Y449 PolarHBondContact O-N 3.37Å; Y449-T451 HydrophobicContact CD1-CG2 4.33Å; Y449-T451 HydrophobicContact CE1-CG2 4.19Å; Y449-R524 VanDerWaalsContact CZ-NH1 3.31Å; Y449-R524 PolarHBondContact OH-NH1 3.34Å; Y449-R524 PolarHBondContact OH-NH2 2.85Å
450T87.8Confident86.4Confident19 Ų1956.9 Ų56.912%0.11730%0.301CS..EExtended strand (participates in β ladder)trans-87.7126.6173.3-48.70000109.2T427 R524T427-T450 PolarHBondContact OG1-OG1 2.97Å; T450-R524 WeakPolarHBondContact O-CD 3.4Å; T450-R524 VanDerWaalsContact O-CG 3.26Å; T450-R524 WeakPolarHBondContact O-CG 3.34Å; T450-R524 PolarHBondContact O-NE 2.95Å; T450-R524 VanDerWaalsContact O-NE 3.15Å
451T87.8Confident86.2Confident0 Ų056.5 Ų56.50%030%0.298CS..PPolyproline II helixtrans-78.1156.2171.449.60000110.9C422 M423 C424 G425 Y426 Y428 Y449C422-T451 HydrophobicContact CB-CG2 4.07Å; M423-T451 PolarHBondContact O-OG1 2.98Å; C424-T451 WeakPolarHBondContact CA-OG1 3.4Å; G425-T451 PolarHBondContact N-OG1 2.92Å; G425-T451 VanDerWaalsContact N-OG1 3.11Å; Y426-T451 PolarHBondContact N-OG1 3.48Å; Y426-T451 PolarHBondContact O-N 3.15Å; Y426-T451 PolarHBondContact O-OG1 2.84Å; Y428-T451 HydrophobicContact CD2-CG2 4.13Å; Y428-T451 HydrophobicContact CE2-CG2 3.76Å; Y449-T451 HydrophobicContact CD1-CG2 4.33Å; Y449-T451 HydrophobicContact CE1-CG2 4.19Å
452I86.9Confident85.9Confident44 Ų4461.5 Ų61.523%0.22633%0.325CS..PPolyproline II helixtrans-63.2147.4176.9-150.7162.3000110.3C424 G425 R524 N527C424-I452 CarbonylContact C-O 3.57Å; C424-I452 WeakPolarHBondContact CA-O 3.4Å; C424-I452 WeakPolarHBondContact CB-O 3.18Å; G425-I452 PolarHBondContact N-O 3.26Å; I452-R524 HydrophobicContact CG1-CB 4.29Å; I452-N527 HydrophobicContact CD1-CB 4.35Å; I452-N527 HydrophobicContact CG1-CB 4.24Å; I452-N527 HydrophobicContact CG2-CB 4.47Å
453P89.9Confident85.9Confident0 Ų061.3 Ų61.30%032%0.324CS..PPolyproline II helixtrans-60.7146.3179.9-26.837.3000113.3G478 A479 P519 N527P453-G478 WeakPolarHBondContact CG-O 3.42Å; P453-A479 HydrophobicContact CB-CB 4.07Å; P453-A479 HydrophobicContact CG-CB 4.28Å; P453-P519 HydrophobicContact CB-CB 3.96Å; P453-P519 HydrophobicContact CB-CG 4.22Å; P453-N527 WeakPolarHBondContact O-CB 3.46Å; P453-N527 PolarHBondContact O-ND2 3.34Å
454C88.7Confident86Confident37 Ų3757.1 Ų57.125%0.2531%0.309CS..PPolyproline II helixtrans-67.8156.7173.6-54.40000111.3C424 V476 P519C424-C454 HydrophobicContact CB-CB 4.02Å; C424-C454 WeakPolarHBondContact CB-SG 3Å; C424-C454 PolarHBondContact O-SG 2.75Å; C424-C454 WeakPolarHBondContact SG-CA 3.47Å; C424-C454 WeakPolarHBondContact SG-CB 2.94Å; C424-C454 CovalentContact SG-SG 2.04Å; C424-C454 PolarHBondContact SG-SG 3.21Å; C454-V476 HydrophobicContact CB-CG1 3.79Å; C454-V476 WeakPolarHBondContact O-CG1 3.46Å; C454-P519 WeakPolarHBondContact O-CG 3.47Å
455C88.1Confident86.1Confident40 Ų4057.9 Ų57.927%0.2731%0.313SS..PPolyproline II helixtrans-69.1140.6167.8-64.60000111.4C530C455-C530 VanDerWaalsContact CA-SG 3.51Å; C455-C530 HydrophobicContact CB-CB 3.81Å; C455-C530 WeakPolarHBondContact CB-SG 3.46Å; C455-C530 WeakPolarHBondContact SG-CA 3.42Å; C455-C530 WeakPolarHBondContact SG-CB 3.39Å; C455-C530 PolarHBondContact SG-N 2.7Å; C455-C530 CovalentContact SG-SG 2.04Å; C455-C530 PolarHBondContact SG-SG 2.71Å
456P89.5Confident86.1Confident16 Ų1655.5 Ų55.510%0.10430%0.301CS..PPolyproline II helixtrans-64.8137.2174.626.1-33000110.9V459 W473 V476 V517P456-V459 HydrophobicContact CB-CG2 4.01Å; P456-V459 HydrophobicContact CG-CG2 3.72Å; P456-W473 HydrophobicContact CB-CB 3.98Å; P456-W473 HydrophobicContact CB-CG 4.25Å; P456-V476 HydrophobicContact CB-CG2 3.96Å; P456-V517 HydrophobicContact CG-CB 4.06Å; P456-V517 HydrophobicContact CG-CG1 3.9Å
457Q79.6Confident86.1Confident180 Ų18057 Ų5784%0.84130%0.302SS*.SBendtrans-88.7-39.5-177.5-66.7-176-13.200112.5V459Q457-V459 PolarHBondContact O-N 3.1Å
458D82.8Confident86.1Confident91 Ų9154.7 Ų54.749%0.48730%0.298SS..  trans-96.847.2-173.1-48-62.5000113T460 S474D458-T460 PolarHBondContact O-N 2.78Å; D458-S474 WeakPolarHBondContact OD2-CB 3.41Å; D458-S474 PolarHBondContact OD2-OG 3.27Å
459V87.3Confident86Confident33 Ų3349.2 Ų49.220%0.227%0.269CS..  trans-69.5116.1176.1-175.70000109.3P456 Q457 V471 W473 V517P456-V459 HydrophobicContact CB-CG2 4.01Å; P456-V459 HydrophobicContact CG-CG2 3.72Å; Q457-V459 PolarHBondContact O-N 3.1Å; V459-V471 HydrophobicContact CG1-CG1 3.94Å; V459-W473 HydrophobicContact CG2-CB 4.15Å; V459-V517 HydrophobicContact CG1-CG2 3.89Å; V459-V517 HydrophobicContact CG2-CB 4.41Å; V459-V517 HydrophobicContact CG2-CG2 4.27Å
460T87.7Confident86.1Confident76 Ų7650.6 Ų50.647%0.46628%0.276SS..EExtended strand (participates in β ladder)trans-131.8154.5-176.155.20000111.1D458 V471 M472D458-T460 PolarHBondContact O-N 2.78Å; T460-V471 WeakPolarHBondContact O-CA 3.21Å; T460-M472 PolarHBondContact N-O 3.32Å; T460-M472 PolarHBondContact O-N 2.92Å; T460-M472 PolarHBondContact OG1-O 2.89Å
461V84.1Confident86.3Confident32 Ų3249.7 Ų49.719%0.19427%0.27CS..EExtended strand (participates in β ladder)trans-109.7112.9174.8-175.50000107.9V464 L469 E470 Q535V461-V464 HydrophobicContact CG1-CG2 3.68Å; V461-L469 HydrophobicContact CG1-CD2 4.05Å; V461-E470 CarbonylContact C-O 3.41Å; V461-E470 WeakPolarHBondContact CA-O 3.35Å; V461-Q535 HydrophobicContact CB-CG 4.48Å; V461-Q535 HydrophobicContact CG1-CG 4.21Å; V461-Q535 HydrophobicContact CG2-CB 4.31Å; V461-Q535 HydrophobicContact CG2-CG 4.09Å
462N82.1Confident86.5Confident109 Ų10953.2 Ų53.258%0.58329%0.288SS*.EExtended strand (participates in β ladder)trans-88.1-41.9-171.8-173.641.2000111.9E470 M472N462-E470 PolarHBondContact N-O 2.97Å; N462-E470 PolarHBondContact ND2-OE1 3.41Å; N462-M472 HydrophobicContact CB-CG 4.26Å; N462-M472 HydrophobicContact CB-SD 3.91Å
463L80.1Confident86.7Confident89 Ų8951.8 Ų51.847%0.46628%0.28SS..EExtended strand (participates in β ladder)trans-122.4129.3177.2-167.577.7000110.3E470L463-E470 HydrophobicContact CB-CB 3.61Å; L463-E470 PolarHBondContact O-N 3.13Å
464V82.8Confident86.7Confident42 Ų4254.1 Ų54.126%0.25530%0.296SS..EExtended strand (participates in β ladder)trans-117.7115.3171.1-177.40000109.7V461 L469 A538 V610V461-V464 HydrophobicContact CG1-CG2 3.68Å; V464-L469 HydrophobicContact CB-CD2 4.17Å; V464-L469 HydrophobicContact CG1-CD2 3.83Å; V464-L469 HydrophobicContact CG2-CD2 3.91Å; V464-A538 HydrophobicContact CG1-CB 4.43Å; V464-V610 HydrophobicContact CB-CG1 4.41Å; V464-V610 HydrophobicContact CG1-CG1 3.62Å
465S85.6Confident86.7Confident33 Ų3357 Ų5723%0.23131%0.314CS..  trans-114.5-178.3176.2-167.40000110.8T468 A538S465-T468 WeakPolarHBondContact CA-O 3.37Å; S465-T468 WeakPolarHBondContact CB-O 3.22Å; S465-T468 WeakPolarHBondContact CB-OG1 2.98Å; S465-T468 PolarHBondContact N-O 2.96Å; S465-A538 VanDerWaalsContact O-CB 3.3Å; S465-A538 WeakPolarHBondContact O-CB 3.4Å; S465-A538 PolarHBondContact O-N 3.46Å
466T84.8Confident86.8Confident7 Ų756.3 Ų56.34%0.04331%0.309CS..SBendtrans-71.4-33.7175.750.60000112.4C509 A538 P539 L614T466-C509 VanDerWaalsContact O-CA 3.22Å; T466-C509 WeakPolarHBondContact O-CA 3.19Å; T466-C509 WeakPolarHBondContact O-CB 3.34Å; T466-C509 PolarHBondContact O-N 3.26Å; T466-A538 HydrophobicContact CG2-CB 4.06Å; T466-P539 VanDerWaalsContact CG2-O 3.27Å; T466-P539 WeakPolarHBondContact CG2-O 3.28Å; T466-L614 HydrophobicContact CG2-CG 4.48Å
467E86.9Confident86.7Confident115 Ų11559.4 Ų59.454%0.53732%0.321SS..SBendtrans-127.9-3.5-171.9-68.7161.6-151.200112.9S505 D506 L507E467-S505 CarbonylContact O-C 3.57Å; E467-D506 PolarHBondContact O-N 2.81Å; E467-L507 WeakPolarHBondContact CA-O 3.47Å; E467-L507 WeakPolarHBondContact O-CB 3.3Å; E467-L507 PolarHBondContact O-N 3.49Å
468T87.8Confident86.8Confident43 Ų4352.3 Ų52.326%0.26430%0.295SS..  trans-135.2146.2-179.166.40000113S465 L504S465-T468 WeakPolarHBondContact CA-O 3.37Å; S465-T468 WeakPolarHBondContact CB-O 3.22Å; S465-T468 WeakPolarHBondContact CB-OG1 2.98Å; S465-T468 PolarHBondContact N-O 2.96Å; T468-L504 CarbonylContact C-O 3.56Å; T468-L504 WeakPolarHBondContact CA-O 3.39Å; T468-L504 WeakPolarHBondContact CB-O 3.34Å
469L88.9Confident87.1Confident1 Ų148.9 Ų48.91%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-129.7124.2170.8-71.9172.5000108.7V461 V464 L504 L507 Q535 T537V461-L469 HydrophobicContact CG1-CD2 4.05Å; V464-L469 HydrophobicContact CB-CD2 4.17Å; V464-L469 HydrophobicContact CG1-CD2 3.83Å; V464-L469 HydrophobicContact CG2-CD2 3.91Å; L469-L504 PolarHBondContact N-O 2.85Å; L469-L504 PolarHBondContact O-N 3.36Å; L469-L507 HydrophobicContact CB-CD1 3.73Å; L469-L507 HydrophobicContact CD1-CD1 3.65Å; L469-L507 HydrophobicContact CG-CD1 3.44Å; L469-L507 VanDerWaalsContact CG-CD1 3.44Å; L469-Q535 HydrophobicContact CD1-CG 4.23Å; L469-Q535 HydrophobicContact CD2-CG 3.84Å; L469-T537 HydrophobicContact CD1-CG2 4.25Å; L469-T537 HydrophobicContact CG-CG2 4.31Å
470E90Very high87.2Confident55 Ų5551.8 Ų51.826%0.25729%0.291SS..EExtended strand (participates in β ladder)trans-98.5114.7173.1-169.7-172.9116.400109.1V461 N462 L463 V501V461-E470 CarbonylContact C-O 3.41Å; V461-E470 WeakPolarHBondContact CA-O 3.35Å; N462-E470 PolarHBondContact N-O 2.97Å; N462-E470 PolarHBondContact ND2-OE1 3.41Å; L463-E470 HydrophobicContact CB-CB 3.61Å; L463-E470 PolarHBondContact O-N 3.13Å; E470-V501 HydrophobicContact CG-CG2 4.24Å
471V91.4Very high87.4Confident0 Ų051.1 Ų51.10%028%0.284CS..EExtended strand (participates in β ladder)trans-110.5130.3-175.7-1700000108.1V459 T460 W473 V501 C502 L504 V515 V517V459-V471 HydrophobicContact CG1-CG1 3.94Å; T460-V471 WeakPolarHBondContact O-CA 3.21Å; V471-W473 HydrophobicContact CB-CZ3 4.25Å; V471-W473 HydrophobicContact CG1-CE3 4.11Å; V471-W473 HydrophobicContact CG1-CZ3 4.18Å; V471-W473 WeakPolarHBondContact O-CZ3 3.47Å; V471-V501 CarbonylContact O-C 3.58Å; V471-V501 VanDerWaalsContact O-CA 3.31Å; V471-V501 WeakPolarHBondContact O-CA 3.46Å; V471-C502 PolarHBondContact N-O 3.01Å; V471-C502 PolarHBondContact O-N 2.93Å; V471-L504 HydrophobicContact CG2-CD1 4.09Å; V471-V515 HydrophobicContact CG1-CG1 4.22Å; V471-V515 HydrophobicContact CG2-CG1 4.05Å; V471-V517 HydrophobicContact CG1-CG2 4.31Å
472M91.7Very high87.8Confident75 Ų7549.9 Ų49.937%0.36928%0.276SS..EExtended strand (participates in β ladder)trans-126.6148.2179.7-66-175.270.500110.2T460 N462 V501T460-M472 PolarHBondContact N-O 3.32Å; T460-M472 PolarHBondContact O-N 2.92Å; T460-M472 PolarHBondContact OG1-O 2.89Å; N462-M472 HydrophobicContact CB-CG 4.26Å; N462-M472 HydrophobicContact CB-SD 3.91Å; M472-V501 HydrophobicContact CG-CB 4.15Å; M472-V501 HydrophobicContact CG-CG2 3.79Å
473W91.6Very high88.2Confident14 Ų1446.7 Ų46.75%0.05326%0.258CS..  trans-145.3165.917753.994.5000112.1P456 V459 V471 Y482 T484 S499 P500 C502 V517P456-W473 HydrophobicContact CB-CB 3.98Å; P456-W473 HydrophobicContact CB-CG 4.25Å; V459-W473 HydrophobicContact CG2-CB 4.15Å; V471-W473 HydrophobicContact CB-CZ3 4.25Å; V471-W473 HydrophobicContact CG1-CE3 4.11Å; V471-W473 HydrophobicContact CG1-CZ3 4.18Å; V471-W473 WeakPolarHBondContact O-CZ3 3.47Å; W473-Y482 AromaticContact CD1-CE1 3.86Å; W473-Y482 AromaticContact CE2-CD1 3.88Å; W473-Y482 AromaticContact CE2-CG 3.82Å; W473-Y482 HydrophobicContact CZ2-CD1 4.19Å; W473-Y482 HydrophobicContact CZ2-CD2 4.08Å; W473-Y482 AromaticContact CZ2-CG 3.68Å; W473-Y482 HydrophobicContact CZ2-CG 3.68Å; W473-Y482 AromaticContact NE1-CD1 3.15Å; W473-Y482 AromaticContact NE1-CD2 3.78Å; W473-Y482 AromaticContact NE1-CE1 3.28Å; W473-Y482 VanDerWaalsContact NE1-CE1 3.28Å; W473-Y482 AromaticContact NE1-CE2 3.92Å; W473-Y482 AromaticContact NE1-CG 3.43Å; W473-Y482 AromaticContact NE1-CZ 3.69Å; W473-T484 WeakPolarHBondContact CH2-OG1 3.29Å; W473-S499 WeakPolarHBondContact CZ2-O 3.37Å; W473-P500 VanDerWaalsContact CE2-CA 3.48Å; W473-P500 HydrophobicContact CG-CB 4.47Å; W473-P500 PolarHBondContact N-O 2.99Å; W473-P500 VanDerWaalsContact N-O 3.08Å; W473-P500 WeakPolarHBondContact O-CB 3.38Å; W473-C502 HydrophobicContact CH2-CB 3.79Å; W473-C502 HydrophobicContact CZ3-CB 4.02Å; W473-V517 HydrophobicContact CD2-CG1 3.71Å; W473-V517 HydrophobicContact CD2-CG2 4.19Å; W473-V517 HydrophobicContact CE3-CG1 4.06Å; W473-V517 HydrophobicContact CE3-CG2 3.75Å; W473-V517 HydrophobicContact CG-CG1 4.16Å; W473-V517 HydrophobicContact CH2-CG1 4.35Å; W473-V517 HydrophobicContact CZ2-CG1 4.01Å; W473-V517 HydrophobicContact CZ3-CG1 4.36Å; W473-V517 HydrophobicContact CZ3-CG2 4.02Å
474S90.1Very high88.8Confident49 Ų4942.4 Ų42.434%0.34324%0.235SC..  trans-72.8130.1169.4-69.30000110.1D458D458-S474 WeakPolarHBondContact OD2-CB 3.41Å; D458-S474 PolarHBondContact OD2-OG 3.27Å
475P89Confident89.2Confident96 Ų9641.4 Ų41.462%0.62323%0.229SC*.  trans-64.6137.5178.226.3-33.9000111.2P500P475-P500 HydrophobicContact CB-CB 4.13Å; P475-P500 HydrophobicContact CB-CG 4.31Å
476V89.9Confident89.4Confident26 Ų2639.9 Ų39.916%0.15822%0.218CC..  trans-105.5140.9-176-169.30000111C454 P456 A479 Y482C454-V476 HydrophobicContact CB-CG1 3.79Å; C454-V476 WeakPolarHBondContact O-CG1 3.46Å; P456-V476 HydrophobicContact CB-CG2 3.96Å; V476-A479 HydrophobicContact CB-CB 4.42Å; V476-A479 PolarHBondContact O-N 2.83Å; V476-Y482 HydrophobicContact CG2-CE1 4.45Å; V476-Y482 PolarHBondContact N-OH 2.04Å
477K85.8Confident89.5Confident82 Ų8241.2 Ų41.236%0.35723%0.23SC..THydrogen-bonded Turntrans-62.3137.9176-161.5-176.9173.1-178.40111.4D404 G425 Y426 A479D404-K477 IonicContact OD1-NZ 3.81Å; D404-K477 PolarHBondContact OD1-NZ 3.02Å; D404-K477 WeakPolarHBondContact OD2-CE 3.24Å; D404-K477 IonicContact OD2-NZ 2.77Å; D404-K477 PolarHBondContact OD2-NZ 2.88Å; G425-K477 WeakPolarHBondContact CA-O 3.37Å; G425-K477 CarbonylContact O-C 3.59Å; G425-K477 VanDerWaalsContact O-CG 3.31Å; G425-K477 WeakPolarHBondContact O-CG 3.34Å; Y426-K477 HydrophobicContact CD1-CD 4.24Å; Y426-K477 HydrophobicContact CD2-CD 4.37Å; Y426-K477 HydrophobicContact CE1-CD 4.04Å; Y426-K477 HydrophobicContact CE2-CD 4.13Å; Y426-K477 HydrophobicContact CG-CD 4.4Å; K477-A479 PolarHBondContact O-N 3.03Å
478G83.4Confident89.4Confident30 Ų3038 Ų3831%0.30922%0.216SC..THydrogen-bonded Turntrans76.9-5.6-179.500000115P453 S521P453-G478 WeakPolarHBondContact CG-O 3.42Å; G478-S521 WeakPolarHBondContact O-CB 3.16Å
479A88.4Confident88.6Confident19 Ų1942.6 Ų42.616%0.15724%0.243CC..  trans-83.8121.2172.100000110.2P453 V476 K477 Y482 P519 C520P453-A479 HydrophobicContact CB-CB 4.07Å; P453-A479 HydrophobicContact CG-CB 4.28Å; V476-A479 HydrophobicContact CB-CB 4.42Å; V476-A479 PolarHBondContact O-N 2.83Å; K477-A479 PolarHBondContact O-N 3.03Å; A479-Y482 HydrophobicContact CB-CE1 3.81Å; A479-Y482 HydrophobicContact CB-CE2 4.3Å; A479-Y482 WeakPolarHBondContact CB-OH 3.11Å; A479-P519 HydrophobicContact CB-CB 3.84Å; A479-C520 WeakPolarHBondContact CA-O 3.11Å
480E88.8Confident87.8Confident94 Ų9450.2 Ų50.244%0.43928%0.284SS..SBendtrans-100.2-25.4177.6-68.7155.1143.900110.9T498 C520 S521 E522E480-T498 WeakPolarHBondContact O-CG2 3.42Å; E480-C520 PolarHBondContact N-O 2.83Å; E480-S521 WeakPolarHBondContact OE2-CA 3.36Å; E480-S521 WeakPolarHBondContact OE2-CB 3.44Å; E480-S521 PolarHBondContact OE2-OG 3.03Å; E480-E522 PolarHBondContact OE2-N 3.29Å
481L91.8Very high87.2Confident63 Ų6350.1 Ų50.133%0.3329%0.289SS..EExtended strand (participates in β ladder)trans-140.5148.5178.4-175.274.1000109.6N496 T498 C520L481-N496 HydrophobicContact CD1-CB 4.31Å; L481-N496 HydrophobicContact CD2-CB 4.5Å; L481-T498 HydrophobicContact CD1-CG2 4.29Å; L481-C520 HydrophobicContact CB-CB 4.28Å; L481-C520 PolarHBondContact N-O 2.78Å; L481-C520 PolarHBondContact O-N 2.96Å
482Y92Very high86.9Confident6 Ų653.8 Ų53.82%0.02431%0.312CS..EExtended strand (participates in β ladder)trans-119.1119.2169-58.8-91.3000109.6W473 V476 A479 N496 D497 V517 T518 P519W473-Y482 AromaticContact CD1-CE1 3.86Å; W473-Y482 AromaticContact CE2-CD1 3.88Å; W473-Y482 AromaticContact CE2-CG 3.82Å; W473-Y482 HydrophobicContact CZ2-CD1 4.19Å; W473-Y482 HydrophobicContact CZ2-CD2 4.08Å; W473-Y482 AromaticContact CZ2-CG 3.68Å; W473-Y482 HydrophobicContact CZ2-CG 3.68Å; W473-Y482 AromaticContact NE1-CD1 3.15Å; W473-Y482 AromaticContact NE1-CD2 3.78Å; W473-Y482 AromaticContact NE1-CE1 3.28Å; W473-Y482 VanDerWaalsContact NE1-CE1 3.28Å; W473-Y482 AromaticContact NE1-CE2 3.92Å; W473-Y482 AromaticContact NE1-CG 3.43Å; W473-Y482 AromaticContact NE1-CZ 3.69Å; V476-Y482 HydrophobicContact CG2-CE1 4.45Å; V476-Y482 PolarHBondContact N-OH 2.04Å; A479-Y482 HydrophobicContact CB-CE1 3.81Å; A479-Y482 HydrophobicContact CB-CE2 4.3Å; A479-Y482 WeakPolarHBondContact CB-OH 3.11Å; Y482-N496 WeakPolarHBondContact O-CA 3.27Å; Y482-D497 PolarHBondContact N-O 3.35Å; Y482-D497 PolarHBondContact O-N 3.04Å; Y482-V517 HydrophobicContact CD1-CG1 4.1Å; Y482-T518 CarbonylContact C-O 3.52Å; Y482-T518 WeakPolarHBondContact CA-O 3.35Å; Y482-P519 HydrophobicContact CD1-CB 3.9Å; Y482-P519 HydrophobicContact CE1-CB 3.9Å
483E92.4Very high86.7Confident41 Ų4152.2 Ų52.219%0.19231%0.305CS..EExtended strand (participates in β ladder)trans-87.3103.5166.2169.9167.6-146.400108.9T485 H494 N496 T518E483-T485 HydrophobicContact CG-CG2 3.92Å; E483-H494 IonicContact OE1-CE1 2.66Å; E483-H494 IonicContact OE1-ND1 2.68Å; E483-H494 PolarHBondContact OE1-ND1 3.41Å; E483-N496 WeakPolarHBondContact CG-OD1 3.27Å; E483-T518 PolarHBondContact N-O 3.43Å; E483-T518 WeakPolarHBondContact O-CA 3.45Å; E483-T518 VanDerWaalsContact O-CB 3.3Å; E483-T518 WeakPolarHBondContact O-CB 3.44Å; E483-T518 PolarHBondContact O-N 3.33Å; E483-T518 PolarHBondContact O-OG1 3.44Å
484T91.6Very high86.6Confident0 Ų057 Ų570%033%0.327CS..EExtended strand (participates in β ladder)trans-93.6122.4172.5-58.80000109.3W473 H494 C495 C502 L504 V515 T516 V517W473-T484 WeakPolarHBondContact CH2-OG1 3.29Å; T484-H494 CarbonylContact O-C 3.54Å; T484-C495 PolarHBondContact N-O 3.14Å; T484-C495 PolarHBondContact O-N 2.91Å; T484-C502 HydrophobicContact CG2-CB 4.29Å; T484-L504 HydrophobicContact CG2-CD1 4.24Å; T484-V515 HydrophobicContact CG2-CG1 4.12Å; T484-T516 WeakPolarHBondContact CA-O 3.39Å; T484-V517 HydrophobicContact CG2-CG2 4.16Å
485T90.8Very high86.6Confident21 Ų2155.9 Ų55.913%0.12932%0.319CS..EExtended strand (participates in β ladder)trans-115.2141.617857.20000110.7E483 V492 L493 V515 T516E483-T485 HydrophobicContact CG-CG2 3.92Å; T485-V492 HydrophobicContact CG2-CG1 4.44Å; T485-L493 CarbonylContact C-O 3.57Å; T485-L493 VanDerWaalsContact CA-O 3.28Å; T485-L493 WeakPolarHBondContact CA-O 3.28Å; T485-V515 CarbonylContact O-C 3.55Å; T485-V515 WeakPolarHBondContact O-CA 3.49Å; T485-T516 PolarHBondContact N-O 2.9Å; T485-T516 PolarHBondContact O-N 3.01Å; T485-T516 PolarHBondContact OG1-O 3.17Å
486A90.1Very high86.7Confident0 Ų055.8 Ų55.80%031%0.314CS..EExtended strand (participates in β ladder)trans-123106.4168.500000109.8V492 L493 L504 Y513 V515A486-V492 WeakPolarHBondContact O-CA 3.45Å; A486-L493 PolarHBondContact N-O 2.78Å; A486-L493 PolarHBondContact O-N 2.87Å; A486-L504 HydrophobicContact CB-CD1 3.61Å; A486-L504 HydrophobicContact CB-CD2 4.21Å; A486-L504 HydrophobicContact CB-CG 4.46Å; A486-Y513 HydrophobicContact CB-CD1 4.12Å; A486-V515 HydrophobicContact CB-CG2 4.22Å
487A88Confident86.8Confident35 Ų3557.6 Ų57.629%0.28932%0.322SS..EExtended strand (participates in β ladder)trans-95.1126.9-178.600000111.7V492 S514A487-V492 HydrophobicContact CB-CG1 4.44Å; A487-V492 HydrophobicContact CB-CG2 4.05Å; A487-S514 PolarHBondContact N-O 3.06Å; A487-S514 PolarHBondContact O-N 2.79Å
488Q83.1Confident87Confident49 Ų4958.4 Ų58.423%0.22933%0.334CS..EExtended strand (participates in β ladder)trans-109.9166.6162.4-161178.417.100108.1N490 S491 T508 S511 Y513Q488-N490 PolarHBondContact O-N 3.47Å; Q488-S491 PolarHBondContact N-O 2.88Å; Q488-S491 PolarHBondContact O-N 3.47Å; Q488-S491 VanDerWaalsContact O-O 3.06Å; Q488-S491 PolarHBondContact OE1-OG 2.79Å; Q488-T508 PolarHBondContact NE2-OG1 3.41Å; Q488-T508 PolarHBondContact OE1-OG1 3.13Å; Q488-S511 PolarHBondContact NE2-OG 3.44Å; Q488-Y513 HydrophobicContact CB-CD1 3.92Å; Q488-Y513 HydrophobicContact CB-CE1 3.59Å; Q488-Y513 HydrophobicContact CG-CE1 4.17Å; Q488-Y513 PolarHBondContact OE1-OH 3.02Å
489T72.9Confident87.3Confident138 Ų13859.2 Ų59.285%0.84734%0.335SS*.THydrogen-bonded Turntrans-48.6-33.4-170.5-380000115.4
490N70.1Confident87.4Confident162 Ų16260.5 Ų60.587%0.86634%0.342SS*.THydrogen-bonded Turntrans-128.36.4-178.2-69.3-8000114.3Q488Q488-N490 PolarHBondContact O-N 3.47Å
491S78.2Confident87.6Confident52 Ų5258.5 Ų58.536%0.36434%0.336SS..EExtended strand (participates in β ladder)trans-147.5141.3-17652.20000111.4Q488Q488-S491 PolarHBondContact N-O 2.88Å; Q488-S491 PolarHBondContact O-N 3.47Å; Q488-S491 VanDerWaalsContact O-O 3.06Å; Q488-S491 PolarHBondContact OE1-OG 2.79Å
492V86Confident87.6Confident77 Ų7755.7 Ų55.747%0.46732%0.321SS..EExtended strand (participates in β ladder)trans-126.7123174.8-171.70000108.2T485 A486 A487 H494T485-V492 HydrophobicContact CG2-CG1 4.44Å; A486-V492 WeakPolarHBondContact O-CA 3.45Å; A487-V492 HydrophobicContact CB-CG1 4.44Å; A487-V492 HydrophobicContact CB-CG2 4.05Å; V492-H494 WeakPolarHBondContact CG1-NE2 3.47Å
493L87.3Confident87.5Confident43 Ų4358.6 Ų58.623%0.22535%0.347CS..EExtended strand (participates in β ladder)trans-94.4135.2172-70.9155.6000108.3T485 A486 L504 L507 Y513T485-L493 CarbonylContact C-O 3.57Å; T485-L493 VanDerWaalsContact CA-O 3.28Å; T485-L493 WeakPolarHBondContact CA-O 3.28Å; A486-L493 PolarHBondContact N-O 2.78Å; A486-L493 PolarHBondContact O-N 2.87Å; L493-L504 HydrophobicContact CB-CD2 4.22Å; L493-L507 HydrophobicContact CD1-CD2 3.34Å; L493-L507 HydrophobicContact CD1-CG 4.04Å; L493-Y513 HydrophobicContact CD1-CE1 4.43Å
494H89.8Confident87.4Confident114 Ų11456.9 Ų56.953%0.52834%0.339SS..EExtended strand (participates in β ladder)trans-116146.7-179.5-66.5-109.7000110.1E483 T484 V492E483-H494 IonicContact OE1-CE1 2.66Å; E483-H494 IonicContact OE1-ND1 2.68Å; E483-H494 PolarHBondContact OE1-ND1 3.41Å; T484-H494 CarbonylContact O-C 3.54Å; V492-H494 WeakPolarHBondContact CG1-NE2 3.47Å
495C90.4Very high87.1Confident26 Ų2660 Ų6018%0.17636%0.361CS..EExtended strand (participates in β ladder)trans-149.6107.8-178.2177.20000108.5T484 C502 L504T484-C495 PolarHBondContact N-O 3.14Å; T484-C495 PolarHBondContact O-N 2.91Å; C495-C502 HydrophobicContact CB-CB 4.2Å; C495-C502 WeakPolarHBondContact CB-SG 3.19Å; C495-C502 WeakPolarHBondContact SG-CB 3.22Å; C495-C502 CovalentContact SG-SG 2.02Å; C495-C502 PolarHBondContact SG-SG 3.12Å; C495-L504 HydrophobicContact CB-CD2 3.83Å
496N91.1Very high86.9Confident94 Ų9465.8 Ų65.850%0.50339%0.391SS..EExtended strand (participates in β ladder)trans-110110.2-175.5-665.4000108.2L481 Y482 E483L481-N496 HydrophobicContact CD1-CB 4.31Å; L481-N496 HydrophobicContact CD2-CB 4.5Å; Y482-N496 WeakPolarHBondContact O-CA 3.27Å; E483-N496 WeakPolarHBondContact CG-OD1 3.27Å
497D90.4Very high86.8Confident63 Ų6366 Ų6634%0.33739%0.392SS..EExtended strand (participates in β ladder)trans-135.1154-179-153.9-51.2000110.2Y482 S499Y482-D497 PolarHBondContact N-O 3.35Å; Y482-D497 PolarHBondContact O-N 3.04Å; D497-S499 VanDerWaalsContact OD1-CB 3.25Å; D497-S499 WeakPolarHBondContact OD1-CB 3.37Å; D497-S499 PolarHBondContact OD1-N 3.04Å; D497-S499 PolarHBondContact OD1-OG 2.91Å
498T90.4Very high86.7Confident99 Ų9967.4 Ų67.461%0.60740%0.397SS*.SBendtrans-85.7-20.2172.261.10000111.4E480 L481E480-T498 WeakPolarHBondContact O-CG2 3.42Å; L481-T498 HydrophobicContact CD1-CG2 4.29Å
499S90.4Very high86.9Confident48 Ų4866.9 Ų66.934%0.33640%0.399SS..SBendtrans-77147.8176.3-49.10000111.2W473 D497 V501W473-S499 WeakPolarHBondContact CZ2-O 3.37Å; D497-S499 VanDerWaalsContact OD1-CB 3.25Å; D497-S499 WeakPolarHBondContact OD1-CB 3.37Å; D497-S499 PolarHBondContact OD1-N 3.04Å; D497-S499 PolarHBondContact OD1-OG 2.91Å; S499-V501 PolarHBondContact O-N 2.02Å
500P90.8Very high87.6Confident46 Ų4661.9 Ų61.930%0.29937%0.366SS..SBendtrans-81.338.5178.736.4-37.8000113W473 P475W473-P500 VanDerWaalsContact CE2-CA 3.48Å; W473-P500 HydrophobicContact CG-CB 4.47Å; W473-P500 PolarHBondContact N-O 2.99Å; W473-P500 VanDerWaalsContact N-O 3.08Å; W473-P500 WeakPolarHBondContact O-CB 3.38Å; P475-P500 HydrophobicContact CB-CB 4.13Å; P475-P500 HydrophobicContact CB-CG 4.31Å
501V91.4Very high88.3Confident52 Ų5255.3 Ų55.332%0.31533%0.333SS..EExtended strand (participates in β ladder)trans-150.6141.5-179.655.20000109E470 V471 M472 S499E470-V501 HydrophobicContact CG-CG2 4.24Å; V471-V501 CarbonylContact O-C 3.58Å; V471-V501 VanDerWaalsContact O-CA 3.31Å; V471-V501 WeakPolarHBondContact O-CA 3.46Å; M472-V501 HydrophobicContact CG-CB 4.15Å; M472-V501 HydrophobicContact CG-CG2 3.79Å; S499-V501 PolarHBondContact O-N 2.02Å
502C91.7Very high88.8Confident3 Ų357.6 Ų57.62%0.0234%0.341CS..EExtended strand (participates in β ladder)trans-139.3137.4172.9164.40000110.8V471 W473 T484 C495V471-C502 PolarHBondContact N-O 3.01Å; V471-C502 PolarHBondContact O-N 2.93Å; W473-C502 HydrophobicContact CH2-CB 3.79Å; W473-C502 HydrophobicContact CZ3-CB 4.02Å; T484-C502 HydrophobicContact CG2-CB 4.29Å; C495-C502 HydrophobicContact CB-CB 4.2Å; C495-C502 WeakPolarHBondContact CB-SG 3.19Å; C495-C502 WeakPolarHBondContact SG-CB 3.22Å; C495-C502 CovalentContact SG-SG 2.02Å; C495-C502 PolarHBondContact SG-SG 3.12Å
503A90.8Very high88.9Confident67 Ų6754.1 Ų54.155%0.55432%0.319SS*.EExtended strand (participates in β ladder)trans-103.799.116900000110.6
504L90.1Very high89Confident5 Ų553.7 Ų53.73%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-74.9129.7173-68.2156.7000109T468 L469 V471 T484 A486 L493 C495 L507 V515T468-L504 CarbonylContact C-O 3.56Å; T468-L504 WeakPolarHBondContact CA-O 3.39Å; T468-L504 WeakPolarHBondContact CB-O 3.34Å; L469-L504 PolarHBondContact N-O 2.85Å; L469-L504 PolarHBondContact O-N 3.36Å; V471-L504 HydrophobicContact CG2-CD1 4.09Å; T484-L504 HydrophobicContact CG2-CD1 4.24Å; A486-L504 HydrophobicContact CB-CD1 3.61Å; A486-L504 HydrophobicContact CB-CD2 4.21Å; A486-L504 HydrophobicContact CB-CG 4.46Å; L493-L504 HydrophobicContact CB-CD2 4.22Å; C495-L504 HydrophobicContact CB-CD2 3.83Å; L504-L507 HydrophobicContact CB-CD1 4.23Å; L504-V515 HydrophobicContact CD1-CG1 4.44Å
505S86.6Confident89Confident66 Ų6648.3 Ų48.346%0.46230%0.295SS..  trans-124.7172.8-179.7-57.70000110.9E467 L507E467-S505 CarbonylContact O-C 3.57Å; S505-L507 VanDerWaalsContact C-N 3.28Å; S505-L507 PolarHBondContact O-N 3.22Å
506D85.4Confident89.1Confident143 Ų14348.4 Ų48.477%0.76530%0.295SS*.SBendtrans6234.1-175.1-159.132.1000113E467E467-D506 PolarHBondContact O-N 2.81Å
507L87.5Confident89.1Confident5 Ų544.1 Ų44.13%0.02627%0.273CS..PPolyproline II helixtrans-83.3148.5174.3-62.2164.7000111E467 L469 L493 L504 S505 Y513 T537E467-L507 WeakPolarHBondContact CA-O 3.47Å; E467-L507 WeakPolarHBondContact O-CB 3.3Å; E467-L507 PolarHBondContact O-N 3.49Å; L469-L507 HydrophobicContact CB-CD1 3.73Å; L469-L507 HydrophobicContact CD1-CD1 3.65Å; L469-L507 HydrophobicContact CG-CD1 3.44Å; L469-L507 VanDerWaalsContact CG-CD1 3.44Å; L493-L507 HydrophobicContact CD1-CD2 3.34Å; L493-L507 HydrophobicContact CD1-CG 4.04Å; L504-L507 HydrophobicContact CB-CD1 4.23Å; S505-L507 VanDerWaalsContact C-N 3.28Å; S505-L507 PolarHBondContact O-N 3.22Å; L507-Y513 HydrophobicContact CB-CE2 4.1Å; L507-Y513 HydrophobicContact CD2-CD1 3.69Å; L507-Y513 HydrophobicContact CD2-CD2 4Å; L507-Y513 HydrophobicContact CD2-CE1 3.39Å; L507-Y513 HydrophobicContact CD2-CE2 3.72Å; L507-Y513 HydrophobicContact CD2-CG 3.99Å; L507-Y513 VanDerWaalsContact CD2-CZ 3.42Å; L507-Y513 HydrophobicContact CG-CE2 4.49Å; L507-T537 HydrophobicContact CB-CG2 4.02Å; L507-T537 HydrophobicContact CD1-CG2 4.21Å
508T87.4Confident89.2Confident64 Ų6441.5 Ų41.539%0.39326%0.259SS..PPolyproline II helixtrans-81.7134172.356.30000110.5Q488 S511 Y513 T537Q488-T508 PolarHBondContact NE2-OG1 3.41Å; Q488-T508 PolarHBondContact OE1-OG1 3.13Å; T508-S511 WeakPolarHBondContact O-CB 3.06Å; T508-S511 WeakPolarHBondContact OG1-CB 3.45Å; T508-S511 PolarHBondContact OG1-OG 3.16Å; T508-S511 VanDerWaalsContact OG1-OG 3.11Å; T508-Y513 PolarHBondContact N-OH 2.81Å; T508-Y513 PolarHBondContact OG1-OH 3.34Å; T508-T537 PolarHBondContact O-OG1 2.82Å
509C87.1Confident89.3Confident38 Ų3836.8 Ų36.826%0.25723%0.23SC..THydrogen-bonded Turntrans-67.3155.5178.656.80000112.3T466 S511 T537 C540T466-C509 VanDerWaalsContact O-CA 3.22Å; T466-C509 WeakPolarHBondContact O-CA 3.19Å; T466-C509 WeakPolarHBondContact O-CB 3.34Å; T466-C509 PolarHBondContact O-N 3.26Å; C509-S511 PolarHBondContact O-N 2.93Å; C509-S511 PolarHBondContact O-OG 2.95Å; C509-T537 WeakPolarHBondContact CA-OG1 3.14Å; C509-C540 HydrophobicContact CB-CB 3.9Å; C509-C540 WeakPolarHBondContact CB-SG 3.34Å; C509-C540 WeakPolarHBondContact SG-CA 3.47Å; C509-C540 WeakPolarHBondContact SG-CB 3.38Å; C509-C540 CovalentContact SG-SG 2.03Å; C509-C540 PolarHBondContact SG-SG 3.01Å
510N86.4Confident89.2Confident32 Ų3234.9 Ų34.917%0.17122%0.216CC..THydrogen-bonded Turntrans46.342.3-175.4-160.3100.6000113.4T537 A538 N563 S564N510-T537 PolarHBondContact N-OG1 3.15Å; N510-T537 VanDerWaalsContact N-OG1 3.09Å; N510-A538 PolarHBondContact N-O 3.43Å; N510-N563 WeakPolarHBondContact CB-OD1 3.39Å; N510-S564 PolarHBondContact OD1-N 3.34Å
511S86.4Confident89.2Confident25 Ų2533 Ų3318%0.17521%0.205CC..  trans-128.6143.5-177.3-69.90000112.3Q488 T508 C509 E536 T537Q488-S511 PolarHBondContact NE2-OG 3.44Å; T508-S511 WeakPolarHBondContact O-CB 3.06Å; T508-S511 WeakPolarHBondContact OG1-CB 3.45Å; T508-S511 PolarHBondContact OG1-OG 3.16Å; T508-S511 VanDerWaalsContact OG1-OG 3.11Å; C509-S511 PolarHBondContact O-N 2.93Å; C509-S511 PolarHBondContact O-OG 2.95Å; S511-E536 WeakPolarHBondContact O-CA 3.36Å; S511-T537 PolarHBondContact N-OG1 3.48Å; S511-T537 PolarHBondContact O-N 2.95Å; S511-T537 PolarHBondContact O-OG1 2.93Å
512L87.3Confident88.8Confident100 Ų10039.3 Ų39.352%0.52423%0.231SC..EExtended strand (participates in β ladder)trans-89.4118.9179.2-173.571.9000110.3R534 E536L512-R534 HydrophobicContact CD1-CB 4.38Å; L512-E536 HydrophobicContact CD1-CB 4.23Å
513Y88.1Confident88.3Confident3 Ų345.2 Ų45.21%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-107.7146.3175.5-73.9-93.9000111.2A486 Q488 L493 L507 T508 R534 Q535 T537A486-Y513 HydrophobicContact CB-CD1 4.12Å; Q488-Y513 HydrophobicContact CB-CD1 3.92Å; Q488-Y513 HydrophobicContact CB-CE1 3.59Å; Q488-Y513 HydrophobicContact CG-CE1 4.17Å; Q488-Y513 PolarHBondContact OE1-OH 3.02Å; L493-Y513 HydrophobicContact CD1-CE1 4.43Å; L507-Y513 HydrophobicContact CB-CE2 4.1Å; L507-Y513 HydrophobicContact CD2-CD1 3.69Å; L507-Y513 HydrophobicContact CD2-CD2 4Å; L507-Y513 HydrophobicContact CD2-CE1 3.39Å; L507-Y513 HydrophobicContact CD2-CE2 3.72Å; L507-Y513 HydrophobicContact CD2-CG 3.99Å; L507-Y513 VanDerWaalsContact CD2-CZ 3.42Å; L507-Y513 HydrophobicContact CG-CE2 4.49Å; T508-Y513 PolarHBondContact N-OH 2.81Å; T508-Y513 PolarHBondContact OG1-OH 3.34Å; Y513-R534 WeakPolarHBondContact O-CA 3.31Å; Y513-Q535 PolarHBondContact N-O 3.07Å; Y513-Q535 PolarHBondContact O-N 3.12Å; Y513-T537 HydrophobicContact CD2-CG2 3.93Å; Y513-T537 HydrophobicContact CE2-CG2 3.92Å
514S90.3Very high87.9Confident34 Ų3446.5 Ų46.524%0.23825%0.252CS..EExtended strand (participates in β ladder)trans-103.5100.3172.9-175.20000108.6A487 P532 H533A487-S514 PolarHBondContact N-O 3.06Å; A487-S514 PolarHBondContact O-N 2.79Å; S514-P532 VanDerWaalsContact OG-CB 3.28Å; S514-P532 WeakPolarHBondContact OG-CB 3.47Å; S514-H533 CarbonylContact C-O 3.6Å
515V90.1Very high87.7Confident2 Ų247.9 Ų47.91%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-91124.9-176.2-176.40000110.3V471 T484 T485 A486 L504 P532 H533V471-V515 HydrophobicContact CG1-CG1 4.22Å; V471-V515 HydrophobicContact CG2-CG1 4.05Å; T484-V515 HydrophobicContact CG2-CG1 4.12Å; T485-V515 CarbonylContact O-C 3.55Å; T485-V515 WeakPolarHBondContact O-CA 3.49Å; A486-V515 HydrophobicContact CB-CG2 4.22Å; L504-V515 HydrophobicContact CD1-CG1 4.44Å; V515-P532 CarbonylContact O-C 3.57Å; V515-P532 WeakPolarHBondContact O-CA 3.17Å; V515-H533 PolarHBondContact N-O 3.21Å; V515-H533 PolarHBondContact O-N 2.87Å
516T91.4Very high87.7Confident27 Ų2746.4 Ų46.417%0.16626%0.256CS..EExtended strand (participates in β ladder)trans-126.1123.5176.1-43.60000109.7T484 T485 C530T484-T516 WeakPolarHBondContact CA-O 3.39Å; T485-T516 PolarHBondContact N-O 2.9Å; T485-T516 PolarHBondContact O-N 3.01Å; T485-T516 PolarHBondContact OG1-O 3.17Å; T516-C530 HydrophobicContact CG2-CB 4.4Å
517V92.2Very high87.9Confident5 Ų540.3 Ų40.33%0.0322%0.224CC..EExtended strand (participates in β ladder)trans-96.6115.6173.8-177.50000108.6P456 V459 V471 W473 Y482 T484P456-V517 HydrophobicContact CG-CB 4.06Å; P456-V517 HydrophobicContact CG-CG1 3.9Å; V459-V517 HydrophobicContact CG1-CG2 3.89Å; V459-V517 HydrophobicContact CG2-CB 4.41Å; V459-V517 HydrophobicContact CG2-CG2 4.27Å; V471-V517 HydrophobicContact CG1-CG2 4.31Å; W473-V517 HydrophobicContact CD2-CG1 3.71Å; W473-V517 HydrophobicContact CD2-CG2 4.19Å; W473-V517 HydrophobicContact CE3-CG1 4.06Å; W473-V517 HydrophobicContact CE3-CG2 3.75Å; W473-V517 HydrophobicContact CG-CG1 4.16Å; W473-V517 HydrophobicContact CH2-CG1 4.35Å; W473-V517 HydrophobicContact CZ2-CG1 4.01Å; W473-V517 HydrophobicContact CZ3-CG1 4.36Å; W473-V517 HydrophobicContact CZ3-CG2 4.02Å; Y482-V517 HydrophobicContact CD1-CG1 4.1Å; T484-V517 HydrophobicContact CG2-CG2 4.16Å
518T91.4Very high87.7Confident8 Ų846.7 Ų46.75%0.04925%0.253CS..EExtended strand (participates in β ladder)trans-110.3108.9-175.8-47.40000109.4Y482 E483 C526 N527Y482-T518 CarbonylContact C-O 3.52Å; Y482-T518 WeakPolarHBondContact CA-O 3.35Å; E483-T518 PolarHBondContact N-O 3.43Å; E483-T518 WeakPolarHBondContact O-CA 3.45Å; E483-T518 VanDerWaalsContact O-CB 3.3Å; E483-T518 WeakPolarHBondContact O-CB 3.44Å; E483-T518 PolarHBondContact O-N 3.33Å; E483-T518 PolarHBondContact O-OG1 3.44Å; T518-C526 HydrophobicContact CG2-CB 3.85Å; T518-N527 WeakPolarHBondContact CG2-O 3.49Å
519P92.3Very high87.6Confident0 Ų049 Ų490%027%0.267CS..EExtended strand (participates in β ladder)trans-80.8139.317830.2-28.7000110.9P453 C454 A479 Y482 C526 N527 C530P453-P519 HydrophobicContact CB-CB 3.96Å; P453-P519 HydrophobicContact CB-CG 4.22Å; C454-P519 WeakPolarHBondContact O-CG 3.47Å; A479-P519 HydrophobicContact CB-CB 3.84Å; Y482-P519 HydrophobicContact CD1-CB 3.9Å; Y482-P519 HydrophobicContact CE1-CB 3.9Å; P519-C526 WeakPolarHBondContact O-CA 3.45Å; P519-N527 HydrophobicContact CG-CB 4.31Å; P519-N527 PolarHBondContact O-N 2.95Å; P519-C530 VanDerWaalsContact CD-SG 3.59Å
520C89.6Confident87.7Confident7 Ų747.9 Ų47.95%0.04726%0.26CS..EExtended strand (participates in β ladder)trans-129.7145.9-173.7-55.90000111.6A479 E480 L481 G525 C526A479-C520 WeakPolarHBondContact CA-O 3.11Å; E480-C520 PolarHBondContact N-O 2.83Å; L481-C520 HydrophobicContact CB-CB 4.28Å; L481-C520 PolarHBondContact N-O 2.78Å; L481-C520 PolarHBondContact O-N 2.96Å; C520-G525 WeakPolarHBondContact CA-O 3.24Å; C520-C526 HydrophobicContact CB-CB 4.06Å; C520-C526 WeakPolarHBondContact CB-SG 3.09Å; C520-C526 WeakPolarHBondContact SG-CB 3.49Å; C520-C526 CovalentContact SG-SG 2.04Å; C520-C526 PolarHBondContact SG-SG 2.88Å
521S88.9Confident87.7Confident8 Ų852.4 Ų52.46%0.05629%0.288CS..EExtended strand (participates in β ladder)trans-124.2142.4166.9175.50000109.9G478 E480 L523 R524 G525G478-S521 WeakPolarHBondContact O-CB 3.16Å; E480-S521 WeakPolarHBondContact OE2-CA 3.36Å; E480-S521 WeakPolarHBondContact OE2-CB 3.44Å; E480-S521 PolarHBondContact OE2-OG 3.03Å; S521-L523 PolarHBondContact O-N 2.87Å; S521-L523 PolarHBondContact OG-N 3.27Å; S521-R524 PolarHBondContact O-N 2.85Å; S521-G525 PolarHBondContact N-O 2.9Å; S521-G525 WeakPolarHBondContact O-CA 3.41Å; S521-G525 PolarHBondContact O-N 3.07Å
522E84.1Confident87.8Confident184 Ų18454.7 Ų54.786%0.8630%0.303SS*.THydrogen-bonded Turntrans-59.7-32.8176.6-63.8-167.9164.900112.1E480E480-E522 PolarHBondContact OE2-N 3.29Å
523L81.9Confident87.7Confident127 Ų12754 Ų5467%0.66530%0.296SS*.THydrogen-bonded Turntrans-77.7-20.6-178.6-67.9172.6000114.4S521S521-L523 PolarHBondContact O-N 2.87Å; S521-L523 PolarHBondContact OG-N 3.27Å
524R81.9Confident87.7Confident94 Ų9462.8 Ų62.836%0.35533%0.33SS..THydrogen-bonded Turntrans-133.6-13.6-166.2-89.6-75149.8142.81.5115.6Y449 T450 I452 S521Y449-R524 VanDerWaalsContact CZ-NH1 3.31Å; Y449-R524 PolarHBondContact OH-NH1 3.34Å; Y449-R524 PolarHBondContact OH-NH2 2.85Å; T450-R524 WeakPolarHBondContact O-CD 3.4Å; T450-R524 VanDerWaalsContact O-CG 3.26Å; T450-R524 WeakPolarHBondContact O-CG 3.34Å; T450-R524 PolarHBondContact O-NE 2.95Å; T450-R524 VanDerWaalsContact O-NE 3.15Å; I452-R524 HydrophobicContact CG1-CB 4.29Å; S521-R524 PolarHBondContact O-N 2.85Å
525G85.8Confident87.5Confident33 Ų3363 Ų6334%0.3433%0.327SS..EExtended strand (participates in β ladder)trans78.3-159.3-17000000112.9C520 S521C520-G525 WeakPolarHBondContact CA-O 3.24Å; S521-G525 PolarHBondContact N-O 2.9Å; S521-G525 WeakPolarHBondContact O-CA 3.41Å; S521-G525 PolarHBondContact O-N 3.07Å
526C87.3Confident87.4Confident35 Ų3565.8 Ų65.824%0.23634%0.34CS..EExtended strand (participates in β ladder)trans-106.9140.5-167.6-61.90000112.8T518 P519 C520 H528T518-C526 HydrophobicContact CG2-CB 3.85Å; P519-C526 WeakPolarHBondContact O-CA 3.45Å; C520-C526 HydrophobicContact CB-CB 4.06Å; C520-C526 WeakPolarHBondContact CB-SG 3.09Å; C520-C526 WeakPolarHBondContact SG-CB 3.49Å; C520-C526 CovalentContact SG-SG 2.04Å; C520-C526 PolarHBondContact SG-SG 2.88Å; C526-H528 PolarHBondContact O-CD2 2.85Å; C526-H528 PolarHBondContact O-N 2.93Å; C526-H528 VanDerWaalsContact O-N 3.16Å
527N88Confident87.2Confident16 Ų1664.6 Ų64.69%0.08633%0.332CS..  trans-85.485.8177.9-171.6-8.8000112I452 P453 T518 P519 T529 C530I452-N527 HydrophobicContact CD1-CB 4.35Å; I452-N527 HydrophobicContact CG1-CB 4.24Å; I452-N527 HydrophobicContact CG2-CB 4.47Å; P453-N527 WeakPolarHBondContact O-CB 3.46Å; P453-N527 PolarHBondContact O-ND2 3.34Å; T518-N527 WeakPolarHBondContact CG2-O 3.49Å; P519-N527 HydrophobicContact CG-CB 4.31Å; P519-N527 PolarHBondContact O-N 2.95Å; N527-T529 PolarHBondContact O-N 2.83Å; N527-T529 WeakPolarHBondContact OD1-CB 3.32Å; N527-T529 PolarHBondContact OD1-N 3.1Å; N527-T529 VanDerWaalsContact OD1-N 3.15Å; N527-T529 PolarHBondContact OD1-OG1 3.02Å; N527-C530 PolarHBondContact O-SG 2.95Å
528H84.4Confident87Confident139 Ų13964.3 Ų64.364%0.64433%0.331SS*.THydrogen-bonded Turntrans-73.311179.6-57.2-68.5000115.2C526C526-H528 PolarHBondContact O-CD2 2.85Å; C526-H528 PolarHBondContact O-N 2.93Å; C526-H528 VanDerWaalsContact O-N 3.16Å
529T85.7Confident86.9Confident113 Ų11364 Ų6469%0.69333%0.329SS*.THydrogen-bonded Turntrans-87.7-2.3177.368.70000114N527N527-T529 PolarHBondContact O-N 2.83Å; N527-T529 WeakPolarHBondContact OD1-CB 3.32Å; N527-T529 PolarHBondContact OD1-N 3.1Å; N527-T529 VanDerWaalsContact OD1-N 3.15Å; N527-T529 PolarHBondContact OD1-OG1 3.02Å
530C87.4Confident86.8Confident14 Ų1465 Ų6510%0.09534%0.336CS..PPolyproline II helixtrans-69.2140.9-174-53.90000113.2C455 T516 P519 N527C455-C530 VanDerWaalsContact CA-SG 3.51Å; C455-C530 HydrophobicContact CB-CB 3.81Å; C455-C530 WeakPolarHBondContact CB-SG 3.46Å; C455-C530 WeakPolarHBondContact SG-CA 3.42Å; C455-C530 WeakPolarHBondContact SG-CB 3.39Å; C455-C530 PolarHBondContact SG-N 2.7Å; C455-C530 CovalentContact SG-SG 2.04Å; C455-C530 PolarHBondContact SG-SG 2.71Å; T516-C530 HydrophobicContact CG2-CB 4.4Å; P519-C530 VanDerWaalsContact CD-SG 3.59Å; N527-C530 PolarHBondContact O-SG 2.95Å
531T87Confident86.7Confident126 Ų12666.8 Ų66.877%0.77335%0.351SS*.PPolyproline II helixtrans-77.5132.7-173.751.10000112.1
532P88.2Confident86.8Confident74 Ų7466.5 Ų66.548%0.48135%0.349SS..PPolyproline II helixtrans-71135.8176.326.5-33.2000112.6S514 V515S514-P532 VanDerWaalsContact OG-CB 3.28Å; S514-P532 WeakPolarHBondContact OG-CB 3.47Å; V515-P532 CarbonylContact O-C 3.57Å; V515-P532 WeakPolarHBondContact O-CA 3.17Å
533H86.1Confident87Confident84 Ų8463 Ų6339%0.38933%0.333SS..EExtended strand (participates in β ladder)trans-94.5134.9170.2-163.887.3000110.4S514 V515S514-H533 CarbonylContact C-O 3.6Å; V515-H533 PolarHBondContact N-O 3.21Å; V515-H533 PolarHBondContact O-N 2.87Å
534R87.9Confident87.3Confident188 Ų18857.1 Ų57.171%0.70930%0.302SS*.EExtended strand (participates in β ladder)trans-101.4120.9-178.4-68.1-174.9179.1-171.3-0.3110.9L512 Y513L512-R534 HydrophobicContact CD1-CB 4.38Å; Y513-R534 WeakPolarHBondContact O-CA 3.31Å
535Q86.5Confident87.5Confident38 Ų3856.7 Ų56.718%0.17831%0.306CS..EExtended strand (participates in β ladder)trans-131.8136.1-179.3-177.758.754.100111.1V461 L469 Y513V461-Q535 HydrophobicContact CB-CG 4.48Å; V461-Q535 HydrophobicContact CG1-CG 4.21Å; V461-Q535 HydrophobicContact CG2-CB 4.31Å; V461-Q535 HydrophobicContact CG2-CG 4.09Å; L469-Q535 HydrophobicContact CD1-CG 4.23Å; L469-Q535 HydrophobicContact CD2-CG 3.84Å; Y513-Q535 PolarHBondContact N-O 3.07Å; Y513-Q535 PolarHBondContact O-N 3.12Å
536E86.8Confident87.6Confident62 Ų6259.5 Ų59.529%0.2931%0.313SS..EExtended strand (participates in β ladder)trans-94.4141.2172.1-166.8178.9-173.900109.9S511 L512 V610S511-E536 WeakPolarHBondContact O-CA 3.36Å; L512-E536 HydrophobicContact CD1-CB 4.23Å; E536-V610 HydrophobicContact CB-CG2 4.29Å; E536-V610 WeakPolarHBondContact O-CG1 3.39Å
537T88.4Confident87.6Confident1 Ų159.6 Ų59.61%0.00631%0.311CS..PPolyproline II helixtrans-75.3162.8172.952.20000112L469 L507 T508 C509 N510 S511 Y513L469-T537 HydrophobicContact CD1-CG2 4.25Å; L469-T537 HydrophobicContact CG-CG2 4.31Å; L507-T537 HydrophobicContact CB-CG2 4.02Å; L507-T537 HydrophobicContact CD1-CG2 4.21Å; T508-T537 PolarHBondContact O-OG1 2.82Å; C509-T537 WeakPolarHBondContact CA-OG1 3.14Å; N510-T537 PolarHBondContact N-OG1 3.15Å; N510-T537 VanDerWaalsContact N-OG1 3.09Å; S511-T537 PolarHBondContact N-OG1 3.48Å; S511-T537 PolarHBondContact O-N 2.95Å; S511-T537 PolarHBondContact O-OG1 2.93Å; Y513-T537 HydrophobicContact CD2-CG2 3.93Å; Y513-T537 HydrophobicContact CE2-CG2 3.92Å
538A87.1Confident87.5Confident0 Ų062.1 Ų62.10%033%0.327CS..PPolyproline II helixtrans-63154.1175.300000111.3V464 S465 T466 N510V464-A538 HydrophobicContact CG1-CB 4.43Å; S465-A538 VanDerWaalsContact O-CB 3.3Å; S465-A538 WeakPolarHBondContact O-CB 3.4Å; S465-A538 PolarHBondContact O-N 3.46Å; T466-A538 HydrophobicContact CG2-CB 4.06Å; N510-A538 PolarHBondContact N-O 3.43Å
539P89.3Confident87.5Confident0 Ų059.8 Ų59.80%032%0.316CS..PPolyproline II helixtrans-64.9146.9-175.826.5-35.3000112.4T466 N563 A606 T608 S613T466-P539 VanDerWaalsContact CG2-O 3.27Å; T466-P539 WeakPolarHBondContact CG2-O 3.28Å; P539-N563 HydrophobicContact CB-CB 4.39Å; P539-A606 HydrophobicContact CB-CB 3.99Å; P539-A606 HydrophobicContact CG-CB 4.09Å; P539-T608 HydrophobicContact CB-CG2 3.91Å; P539-T608 HydrophobicContact CG-CG2 3.95Å; P539-S613 WeakPolarHBondContact O-CA 3.24Å; P539-S613 WeakPolarHBondContact O-CB 3.38Å
540C89.7Confident87.3Confident22 Ų2258.1 Ų58.115%0.14931%0.306CS..PPolyproline II helixtrans-59.2143.6173.4-56.80000112C509 P562 N563C509-C540 HydrophobicContact CB-CB 3.9Å; C509-C540 WeakPolarHBondContact CB-SG 3.34Å; C509-C540 WeakPolarHBondContact SG-CA 3.47Å; C509-C540 WeakPolarHBondContact SG-CB 3.38Å; C509-C540 CovalentContact SG-SG 2.03Å; C509-C540 PolarHBondContact SG-SG 3.01Å; C540-P562 HydrophobicContact CB-CB 4.33Å; C540-P562 HydrophobicContact CB-CG 3.89Å; C540-N563 WeakPolarHBondContact CA-OD1 3.39Å; C540-N563 VanDerWaalsContact CB-OD1 3.29Å; C540-N563 WeakPolarHBondContact CB-OD1 3.34Å; C540-N563 PolarHBondContact N-OD1 2.88Å; C540-N563 PolarHBondContact O-ND2 3.21Å
541A88.5Confident86.9Confident45 Ų4560.4 Ų60.437%0.37232%0.32SS..PPolyproline II helixtrans-66130.5176.100000111.1L614A541-L614 WeakPolarHBondContact CB-O 3.2Å
542P90.1Very high86.2Confident2 Ų260.8 Ų60.81%0.01332%0.317CS..PPolyproline II helixtrans-76.2144.8175.632.2-35.8000111.4Y569 A604P542-Y569 HydrophobicContact CB-CD1 3.83Å; P542-Y569 HydrophobicContact CB-CE1 3.97Å; P542-Y569 HydrophobicContact CG-CD1 3.98Å; P542-Y569 HydrophobicContact CG-CE1 4.44Å; P542-A604 HydrophobicContact CB-CB 4.38Å; P542-A604 HydrophobicContact CG-CB 3.65Å
543E88.2Confident85.8Confident111 Ų11159.2 Ų59.252%0.51931%0.308SS..PPolyproline II helixtrans-97.5136.3175.6-165.2-168.8165.100110.4L545 I559 S560E543-L545 PolarHBondContact O-N 2.97Å; E543-I559 CarbonylContact O-C 3.51Å; E543-I559 VanDerWaalsContact O-CA 3.24Å; E543-I559 WeakPolarHBondContact O-CA 3.37Å; E543-S560 WeakPolarHBondContact CB-OG 3.44Å; E543-S560 PolarHBondContact N-OG 2.87Å; E543-S560 PolarHBondContact O-N 2.84Å
544I89.1Confident85.8Confident2 Ų256.2 Ų56.21%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-80.1109.5173.3-60.3168.8000108.6M547 V557 V602 A604 K619I544-M547 HydrophobicContact CG2-CG 4.05Å; I544-M547 HydrophobicContact CG2-SD 4.32Å; I544-V557 HydrophobicContact CG2-CG1 3.85Å; I544-V602 HydrophobicContact CD1-CB 4.15Å; I544-V602 HydrophobicContact CD1-CG1 3.9Å; I544-V602 WeakPolarHBondContact CD1-O 3.45Å; I544-A604 HydrophobicContact CD1-CB 4.47Å; I544-A604 HydrophobicContact CG1-CB 4.07Å; I544-K619 HydrophobicContact CB-CD 4.13Å; I544-K619 HydrophobicContact CB-CG 4.48Å; I544-K619 HydrophobicContact CG2-CD 4.07Å; I544-K619 WeakPolarHBondContact O-CD 3.4Å; I544-K619 VanDerWaalsContact O-CE 3.25Å; I544-K619 WeakPolarHBondContact O-CE 3.13Å; I544-K619 PolarHBondContact O-NZ 3.11Å
545L87Confident85.8Confident86 Ų8647.5 Ų47.545%0.4526%0.262SS..EExtended strand (participates in β ladder)trans-79.5-52.1-177.2-63175.1000111.7E543 L558E543-L545 PolarHBondContact O-N 2.97Å; L545-L558 HydrophobicContact CB-CD2 4.13Å; L545-L558 HydrophobicContact CB-CG 4.48Å; L545-L558 HydrophobicContact CD1-CD2 4.19Å; L545-L558 HydrophobicContact CD1-CG 4.49Å; L545-L558 PolarHBondContact N-O 3.1Å
546N86.4Confident86Confident92 Ų9249.2 Ų49.249%0.49227%0.269SS..EExtended strand (participates in β ladder)trans-152.8157.7-175.8-1643.2000111.5L558N546-L558 HydrophobicContact CB-CB 4.36Å; N546-L558 PolarHBondContact N-O 2.88Å; N546-L558 PolarHBondContact O-N 2.98Å
547M88.1Confident86.2Confident37 Ų3746.3 Ų46.318%0.18226%0.256CS..EExtended strand (participates in β ladder)trans-133.8115.6176.4-63.9-175.3-71.700109.3I544 K556 V557 V602 K619 T620 L621I544-M547 HydrophobicContact CG2-CG 4.05Å; I544-M547 HydrophobicContact CG2-SD 4.32Å; M547-K556 WeakPolarHBondContact CA-O 3.32Å; M547-V557 HydrophobicContact CG-CG1 4.17Å; M547-V557 HydrophobicContact CG-CG2 4.18Å; M547-V557 HydrophobicContact SD-CG2 4.47Å; M547-V602 HydrophobicContact SD-CB 3.98Å; M547-V602 HydrophobicContact SD-CG1 4.21Å; M547-V602 HydrophobicContact SD-CG2 3.75Å; M547-K619 HydrophobicContact CE-CB 3.75Å; M547-T620 VanDerWaalsContact CE-O 3.29Å; M547-T620 WeakPolarHBondContact CE-O 3.15Å; M547-L621 HydrophobicContact CB-CD1 4.31Å; M547-L621 HydrophobicContact CE-CB 4.13Å; M547-L621 HydrophobicContact CE-CD1 4.4Å; M547-L621 HydrophobicContact SD-CB 4.2Å; M547-L621 HydrophobicContact SD-CD1 4.32Å; M547-L621 HydrophobicContact SD-CD2 4.45Å
548T86Confident86.3Confident68 Ų6849.2 Ų49.242%0.41727%0.271SS..EExtended strand (participates in β ladder)trans-115.8131.1-176.955.50000111.9T550 Y555 K556T548-T550 PolarHBondContact O-N 2.99Å; T548-Y555 WeakPolarHBondContact O-CA 3.42Å; T548-K556 PolarHBondContact N-O 2.68Å; T548-K556 PolarHBondContact O-N 3.39Å
549Q83.9Confident86.5Confident91 Ų9149.3 Ų49.343%0.42527%0.271SS..EExtended strand (participates in β ladder)trans-69.7123.5174-169.3171.112.700109.7T551 Y555Q549-T551 WeakPolarHBondContact CG-O 3.28Å; Q549-T551 PolarHBondContact NE2-O 2.95Å; Q549-Y555 HydrophobicContact CB-CD1 3.93Å; Q549-Y555 HydrophobicContact CB-CE1 3.55Å; Q549-Y555 HydrophobicContact CG-CD1 4.32Å; Q549-Y555 HydrophobicContact CG-CE1 3.8Å; Q549-Y555 HydrophobicContact CG-CE2 4.22Å; Q549-Y555 PolarHBondContact NE2-OH 2.05Å
550T81.1Confident86.4Confident77 Ų7750.9 Ų50.947%0.47228%0.282SS..  trans-104.9-35.6179.4-56.20000111.3T548 T554T548-T550 PolarHBondContact O-N 2.99Å; T550-T554 PolarHBondContact N-O 3.06Å
551T78.9Confident86.3Confident63 Ų6353.2 Ų53.239%0.38730%0.296SS..SBendtrans-139.8-177.3169.972.50000110.4Q549 S553 T554Q549-T551 WeakPolarHBondContact CG-O 3.28Å; Q549-T551 PolarHBondContact NE2-O 2.95Å; T551-S553 PolarHBondContact O-N 3.47Å; T551-S553 PolarHBondContact OG1-N 2.98Å; T551-T554 WeakPolarHBondContact CB-OG1 3.42Å; T551-T554 WeakPolarHBondContact CG2-OG1 3.42Å; T551-T554 PolarHBondContact N-O 2.72Å; T551-T554 PolarHBondContact N-OG1 2.9Å; T551-T554 WeakPolarHBondContact OG1-CB 3.32Å; T551-T554 WeakPolarHBondContact OG1-CG2 3.46Å; T551-T554 PolarHBondContact OG1-N 2.83Å; T551-T554 VanDerWaalsContact OG1-N 3.11Å; T551-T554 PolarHBondContact OG1-OG1 2.87Å
552N73Confident85.9Confident133 Ų13354.4 Ų54.471%0.71130%0.3SS*.SBendtrans-61.4-20.117664.9-10.2000114.4
553S80.5Confident85.7Confident41 Ų4155.1 Ų55.129%0.28730%0.304SS..SBendtrans-133.49.3-177.460.80000114T551 T592 Q593 L594T551-S553 PolarHBondContact O-N 3.47Å; T551-S553 PolarHBondContact OG1-N 2.98Å; S553-T592 CarbonylContact O-C 3.5Å; S553-Q593 PolarHBondContact O-N 2.71Å; S553-L594 PolarHBondContact O-N 3.46Å; S553-L594 VanDerWaalsContact O-N 3.08Å
554T85Confident85.3Confident21 Ų2151.7 Ų51.713%0.12929%0.292CS..  trans-130.1134178.372.10000112.9T550 T551 L591 T592T550-T554 PolarHBondContact N-O 3.06Å; T551-T554 WeakPolarHBondContact CB-OG1 3.42Å; T551-T554 WeakPolarHBondContact CG2-OG1 3.42Å; T551-T554 PolarHBondContact N-O 2.72Å; T551-T554 PolarHBondContact N-OG1 2.9Å; T551-T554 WeakPolarHBondContact OG1-CB 3.32Å; T551-T554 WeakPolarHBondContact OG1-CG2 3.46Å; T551-T554 PolarHBondContact OG1-N 2.83Å; T551-T554 VanDerWaalsContact OG1-N 3.11Å; T551-T554 PolarHBondContact OG1-OG1 2.87Å; T554-L591 VanDerWaalsContact CA-O 3.28Å; T554-L591 WeakPolarHBondContact CA-O 3.34Å; T554-T592 HydrophobicContact CG2-CG2 3.72Å
555Y88.9Confident84.6Confident6 Ų657.3 Ų57.32%0.02433%0.329CS..EExtended strand (participates in β ladder)trans-127.3128.8-179-75.4-97.8000109.9T548 Q549 L591 L594 L621 E622 T623T548-Y555 WeakPolarHBondContact O-CA 3.42Å; Q549-Y555 HydrophobicContact CB-CD1 3.93Å; Q549-Y555 HydrophobicContact CB-CE1 3.55Å; Q549-Y555 HydrophobicContact CG-CD1 4.32Å; Q549-Y555 HydrophobicContact CG-CE1 3.8Å; Q549-Y555 HydrophobicContact CG-CE2 4.22Å; Q549-Y555 PolarHBondContact NE2-OH 2.05Å; Y555-L591 PolarHBondContact N-O 2.93Å; Y555-L591 PolarHBondContact O-N 2.85Å; Y555-L594 HydrophobicContact CD2-CD2 4.03Å; Y555-L621 HydrophobicContact CD1-CD1 3.65Å; Y555-L621 HydrophobicContact CD1-CD2 4.26Å; Y555-L621 HydrophobicContact CD1-CG 4.44Å; Y555-L621 HydrophobicContact CD2-CD2 4.45Å; Y555-L621 HydrophobicContact CE1-CD1 3.76Å; Y555-L621 HydrophobicContact CG-CD1 4.28Å; Y555-L621 HydrophobicContact CG-CD2 4.05Å; Y555-E622 PolarHBondContact OH-O 2.89Å; Y555-T623 HydrophobicContact CE2-CG2 4.04Å; Y555-T623 WeakPolarHBondContact OH-CA 3.47Å
556K89.6Confident84.3Confident74 Ų7459.1 Ų59.132%0.32234%0.339SS..EExtended strand (participates in β ladder)trans-93.2116.4177.4-175.8167.9-175.4160.80109.3M547 T548 S588 E590M547-K556 WeakPolarHBondContact CA-O 3.32Å; T548-K556 PolarHBondContact N-O 2.68Å; T548-K556 PolarHBondContact O-N 3.39Å; K556-S588 WeakPolarHBondContact CE-OG 3.08Å; K556-E590 HydrophobicContact CB-CG 4.15Å; K556-E590 HydrophobicContact CD-CG 4.48Å; K556-E590 HydrophobicContact CG-CG 4.13Å
557V91.4Very high84.2Confident0 Ų054.9 Ų54.90%032%0.316CS..EExtended strand (participates in β ladder)trans-94.8126.4177.1-173.50000108.3I544 M547 I559 I571 S588 C589 L591 V602I544-V557 HydrophobicContact CG2-CG1 3.85Å; M547-V557 HydrophobicContact CG-CG1 4.17Å; M547-V557 HydrophobicContact CG-CG2 4.18Å; M547-V557 HydrophobicContact SD-CG2 4.47Å; V557-I559 HydrophobicContact CG1-CG2 4.1Å; V557-I571 HydrophobicContact CB-CG2 4.37Å; V557-I571 HydrophobicContact CG1-CG1 4.45Å; V557-I571 HydrophobicContact CG1-CG2 4.21Å; V557-I571 HydrophobicContact CG2-CG2 4.2Å; V557-S588 CarbonylContact O-C 3.53Å; V557-S588 WeakPolarHBondContact O-CA 3.43Å; V557-C589 PolarHBondContact N-O 3.49Å; V557-C589 PolarHBondContact O-N 2.95Å; V557-L591 HydrophobicContact CG2-CD1 3.61Å; V557-L591 HydrophobicContact CG2-CG 4.1Å; V557-V602 HydrophobicContact CG2-CG1 4.47Å
558L91Very high84.3Confident63 Ų6355.9 Ų55.933%0.3332%0.322SS..EExtended strand (participates in β ladder)trans-100.4130.3173.4-165.782.6000108.7L545 N546 N587L545-L558 HydrophobicContact CB-CD2 4.13Å; L545-L558 HydrophobicContact CB-CG 4.48Å; L545-L558 HydrophobicContact CD1-CD2 4.19Å; L545-L558 HydrophobicContact CD1-CG 4.49Å; L545-L558 PolarHBondContact N-O 3.1Å; N546-L558 HydrophobicContact CB-CB 4.36Å; N546-L558 PolarHBondContact N-O 2.88Å; N546-L558 PolarHBondContact O-N 2.98Å; L558-N587 WeakPolarHBondContact CA-O 3.49Å; L558-N587 WeakPolarHBondContact CD1-O 3.35Å
559I90.5Very high84.5Confident2 Ų252.9 Ų52.91%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-125.1155.6-176.661.2169000111.9E543 V557 T561 Y569 I571 N587 A604E543-I559 CarbonylContact O-C 3.51Å; E543-I559 VanDerWaalsContact O-CA 3.24Å; E543-I559 WeakPolarHBondContact O-CA 3.37Å; V557-I559 HydrophobicContact CG1-CG2 4.1Å; I559-T561 HydrophobicContact CG1-CG2 4.49Å; I559-Y569 VanDerWaalsContact CD1-CB 3.41Å; I559-Y569 HydrophobicContact CD1-CD1 3.78Å; I559-Y569 HydrophobicContact CD1-CD2 4.03Å; I559-Y569 HydrophobicContact CD1-CG 3.46Å; I559-Y569 VanDerWaalsContact CD1-CG 3.46Å; I559-I571 HydrophobicContact CD1-CD1 4.15Å; I559-I571 HydrophobicContact CG2-CD1 4.47Å; I559-I571 HydrophobicContact CG2-CG1 4.17Å; I559-N587 PolarHBondContact N-O 3.19Å; I559-A604 HydrophobicContact CG2-CB 4.37Å
560S88.6Confident84.8Confident32 Ų3250 Ų5022%0.22429%0.292CS..  trans-73.1150.3163.672.70000110.6E543 P562E543-S560 WeakPolarHBondContact CB-OG 3.44Å; E543-S560 PolarHBondContact N-OG 2.87Å; E543-S560 PolarHBondContact O-N 2.84Å; S560-P562 VanDerWaalsContact C-CD 3.47Å; S560-P562 WeakPolarHBondContact O-CD 3.25Å
561T85.9Confident85.3Confident71 Ų7146.3 Ų46.344%0.43627%0.269SS..  trans-126.570.3-179.6550000110.5I559 N563 Y569 N587I559-T561 HydrophobicContact CG1-CG2 4.49Å; T561-N563 VanDerWaalsContact C-N 3.27Å; T561-N563 PolarHBondContact O-N 2.83Å; T561-Y569 WeakPolarHBondContact CA-OH 3.4Å; T561-Y569 HydrophobicContact CG2-CD2 4.4Å; T561-Y569 HydrophobicContact CG2-CE2 3.78Å; T561-N587 HydrophobicContact CG2-CB 3.91Å
562P81.6Confident85.9Confident70 Ų7043.5 Ų43.546%0.45525%0.252SS..  trans-76.7-9.6-174.431.9-36.8000114.3C540 S560C540-P562 HydrophobicContact CB-CB 4.33Å; C540-P562 HydrophobicContact CB-CG 3.89Å; S560-P562 VanDerWaalsContact C-CD 3.47Å; S560-P562 WeakPolarHBondContact O-CD 3.25Å
563N85.7Confident86.7Confident18 Ų1837.1 Ų37.110%0.09622%0.218CC..SBendtrans-98.9172.2-170.7-58.4-59.1000113.4N510 P539 C540 T561 T567 A606N510-N563 WeakPolarHBondContact CB-OD1 3.39Å; P539-N563 HydrophobicContact CB-CB 4.39Å; C540-N563 WeakPolarHBondContact CA-OD1 3.39Å; C540-N563 VanDerWaalsContact CB-OD1 3.29Å; C540-N563 WeakPolarHBondContact CB-OD1 3.34Å; C540-N563 PolarHBondContact N-OD1 2.88Å; C540-N563 PolarHBondContact O-ND2 3.21Å; T561-N563 VanDerWaalsContact C-N 3.27Å; T561-N563 PolarHBondContact O-N 2.83Å; N563-T567 HydrophobicContact CB-CG2 3.98Å; N563-T567 WeakPolarHBondContact CB-OG1 3.19Å; N563-A606 WeakPolarHBondContact ND2-CB 3.26Å
564S79.7Confident87.1Confident38 Ų3837.4 Ų37.427%0.26622%0.218SC..  trans-54.8151.1174.370.90000113N510 N566 T567N510-S564 PolarHBondContact OD1-N 3.34Å; S564-N566 PolarHBondContact O-N 3.26Å; S564-T567 VanDerWaalsContact O-CB 3.29Å; S564-T567 WeakPolarHBondContact O-CB 3.43Å; S564-T567 PolarHBondContact O-N 2.83Å; S564-T567 PolarHBondContact O-OG1 2.77Å
565P74.1Confident87.1Confident121 Ų12137.5 Ų37.579%0.78622%0.223SC*.THydrogen-bonded Turntrans-65.4-9-172.424.7-35.1000115.4T567P565-T567 VanDerWaalsContact C-N 3.3Å
566N79.6Confident86.7Confident124 Ų12447 Ų4766%0.66326%0.259SS*.THydrogen-bonded Turntrans-88.59174.1-75-25.3000113.6S564S564-N566 PolarHBondContact O-N 3.26Å
567T84.9Confident86.2Confident2 Ų252.8 Ų52.81%0.01228%0.28CS..PPolyproline II helixtrans-79.9127.3-179.6-560000111.9N563 S564 P565 Y569 A606 T608N563-T567 HydrophobicContact CB-CG2 3.98Å; N563-T567 WeakPolarHBondContact CB-OG1 3.19Å; S564-T567 VanDerWaalsContact O-CB 3.29Å; S564-T567 WeakPolarHBondContact O-CB 3.43Å; S564-T567 PolarHBondContact O-N 2.83Å; S564-T567 PolarHBondContact O-OG1 2.77Å; P565-T567 VanDerWaalsContact C-N 3.3Å; T567-Y569 HydrophobicContact CG2-CD1 4.33Å; T567-Y569 HydrophobicContact CG2-CD2 4.48Å; T567-Y569 HydrophobicContact CG2-CE1 3.88Å; T567-Y569 HydrophobicContact CG2-CE2 4.02Å; T567-A606 HydrophobicContact CG2-CB 3.67Å; T567-T608 HydrophobicContact CG2-CG2 4.26Å; T567-T608 WeakPolarHBondContact OG1-CG2 3.32Å
568N89.9Confident85.9Confident59 Ų5955 Ų5532%0.31629%0.292SS..EExtended strand (participates in β ladder)trans-90.3125.9167.5-82.6-5.7000109.5R585 S607N568-R585 WeakPolarHBondContact OD1-CG 3.14Å; N568-R585 PolarHBondContact OD1-NE 3.45Å; N568-S607 PolarHBondContact N-O 2.91Å; N568-S607 PolarHBondContact O-N 3.17Å
569Y90.3Very high85.8Confident4 Ų459.6 Ų59.62%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-98.5125.9173.5-58.2-85.1000109.9P542 I559 T561 T567 Q583 S584 V605 A606P542-Y569 HydrophobicContact CB-CD1 3.83Å; P542-Y569 HydrophobicContact CB-CE1 3.97Å; P542-Y569 HydrophobicContact CG-CD1 3.98Å; P542-Y569 HydrophobicContact CG-CE1 4.44Å; I559-Y569 VanDerWaalsContact CD1-CB 3.41Å; I559-Y569 HydrophobicContact CD1-CD1 3.78Å; I559-Y569 HydrophobicContact CD1-CD2 4.03Å; I559-Y569 HydrophobicContact CD1-CG 3.46Å; I559-Y569 VanDerWaalsContact CD1-CG 3.46Å; T561-Y569 WeakPolarHBondContact CA-OH 3.4Å; T561-Y569 HydrophobicContact CG2-CD2 4.4Å; T561-Y569 HydrophobicContact CG2-CE2 3.78Å; T567-Y569 HydrophobicContact CG2-CD1 4.33Å; T567-Y569 HydrophobicContact CG2-CD2 4.48Å; T567-Y569 HydrophobicContact CG2-CE1 3.88Å; T567-Y569 HydrophobicContact CG2-CE2 4.02Å; Y569-Q583 WeakPolarHBondContact O-CA 3.41Å; Y569-S584 WeakPolarHBondContact CB-O 3.1Å; Y569-S584 PolarHBondContact N-O 2.87Å; Y569-S584 PolarHBondContact O-N 2.9Å; Y569-V605 WeakPolarHBondContact CA-O 3.46Å; Y569-A606 HydrophobicContact CD1-CB 3.93Å; Y569-A606 HydrophobicContact CE1-CB 3.87Å
570T90.4Very high85.7Confident30 Ų3061.2 Ų61.218%0.18431%0.313CS..EExtended strand (participates in β ladder)trans-108.7119.1173.9-56.30000109Q583 V605T570-Q583 HydrophobicContact CG2-CG 4.02Å; T570-Q583 PolarHBondContact OG1-NE2 2.68Å; T570-V605 PolarHBondContact N-O 3.02Å; T570-V605 PolarHBondContact O-N 3.23Å
571I91.8Very high85.9Confident0 Ų063.8 Ų63.80%033%0.327CS..EExtended strand (participates in β ladder)trans-100.7133.6175-61.565.6000107.1V557 I559 T581 C582 C589 L591 V602 T603 A604V557-I571 HydrophobicContact CB-CG2 4.37Å; V557-I571 HydrophobicContact CG1-CG1 4.45Å; V557-I571 HydrophobicContact CG1-CG2 4.21Å; V557-I571 HydrophobicContact CG2-CG2 4.2Å; I559-I571 HydrophobicContact CD1-CD1 4.15Å; I559-I571 HydrophobicContact CG2-CD1 4.47Å; I559-I571 HydrophobicContact CG2-CG1 4.17Å; I571-T581 VanDerWaalsContact O-CA 3.26Å; I571-T581 WeakPolarHBondContact O-CA 3.41Å; I571-C582 PolarHBondContact N-O 3.08Å; I571-C582 PolarHBondContact O-N 2.65Å; I571-C589 HydrophobicContact CD1-CB 3.58Å; I571-C589 HydrophobicContact CG1-CB 4.07Å; I571-L591 HydrophobicContact CG2-CD1 4.24Å; I571-L591 HydrophobicContact CG2-CD2 4.34Å; I571-L591 HydrophobicContact CG2-CG 4.45Å; I571-V602 HydrophobicContact CG2-CG1 3.62Å; I571-T603 CarbonylContact C-O 3.48Å; I571-T603 WeakPolarHBondContact CA-O 3.28Å; I571-A604 HydrophobicContact CG1-CB 4.33Å
572S90.6Very high86.1Confident4 Ų461.1 Ų61.13%0.02831%0.311CS..EExtended strand (participates in β ladder)trans-125.3121.8177.5-670000110.4R579 H580 T581 V602 T603S572-R579 PolarHBondContact OG-NH2 2.86Å; S572-H580 WeakPolarHBondContact CA-O 3.18Å; S572-T581 WeakPolarHBondContact OG-CG2 3.05Å; S572-V602 CarbonylContact O-C 3.52Å; S572-V602 WeakPolarHBondContact O-CA 3.37Å; S572-T603 PolarHBondContact N-O 3.4Å; S572-T603 PolarHBondContact O-N 3.46Å; S572-T603 PolarHBondContact O-OG1 3.02Å
573A90.6Very high86.5Confident0 Ų064.4 Ų64.40%032%0.32CS..EExtended strand (participates in β ladder)trans-98.6107.816600000109.1R579 H580 L591 Y600 E601 V602A573-R579 CarbonylContact O-C 3.54Å; A573-R579 WeakPolarHBondContact O-CA 3.4Å; A573-H580 PolarHBondContact N-O 2.94Å; A573-H580 PolarHBondContact O-N 2.87Å; A573-L591 HydrophobicContact CB-CD1 3.67Å; A573-L591 HydrophobicContact CB-CD2 4.3Å; A573-Y600 HydrophobicContact CB-CD1 3.94Å; A573-Y600 HydrophobicContact CB-CG 4.08Å; A573-E601 WeakPolarHBondContact CA-O 3.46Å; A573-V602 HydrophobicContact CB-CG2 4.06Å
574T88.7Confident86.6Confident46 Ų4664.6 Ų64.628%0.28232%0.323SS..EExtended strand (participates in β ladder)trans-97.2111.4176.536.20000110R579 E601T574-R579 HydrophobicContact CG2-CB 4.2Å; T574-R579 HydrophobicContact CG2-CG 3.69Å; T574-E601 PolarHBondContact N-O 2.54Å; T574-E601 PolarHBondContact O-N 3.13Å; T574-E601 PolarHBondContact OG1-O 2.53Å; T574-E601 VanDerWaalsContact OG1-O 3.07Å
575G84.9Confident86.9Confident23 Ų2370 Ų7024%0.23734%0.338CS..  trans-93.5-173.5172.200000110.6Y577 D578 Y600G575-Y577 VanDerWaalsContact C-N 3.31Å; G575-Y577 PolarHBondContact O-N 2.94Å; G575-D578 WeakPolarHBondContact CA-O 3.49Å; G575-D578 PolarHBondContact N-O 2.78Å; G575-Y600 VanDerWaalsContact CA-CD1 3.47Å
576R80.1Confident87.5Confident207 Ų20769.5 Ų69.578%0.78133%0.329SS*.SBendtrans-69.3-26.9-178.9-173.2173.8177.91780.4113.8
577Y79.4Confident87.8Confident194 Ų19467.6 Ų67.676%0.76132%0.318SS*.SBendtrans-132.4-12.6-173.6-58.2-64.2000113.9G575G575-Y577 VanDerWaalsContact C-N 3.31Å; G575-Y577 PolarHBondContact O-N 2.94Å
578D85.4Confident88Confident48 Ų4868.7 Ų68.726%0.25733%0.326SS..  trans-142.1152.9-170.461.1-34.2000111.2G575 H580 Y600G575-D578 WeakPolarHBondContact CA-O 3.49Å; G575-D578 PolarHBondContact N-O 2.78Å; D578-H580 IonicContact OD2-CD2 2.65Å; D578-H580 PolarHBondContact OD2-CD2 2.88Å; D578-H580 IonicContact OD2-CE1 2.71Å; D578-H580 IonicContact OD2-NE2 2.7Å; D578-H580 PolarHBondContact OD2-NE2 2.81Å; D578-Y600 PolarHBondContact OD1-OH 2.85Å; D578-Y600 PolarHBondContact OD2-OH 2.87Å
579R88.4Confident88.1Confident159 Ų15966.2 Ų66.260%0.631%0.313SS*.EExtended strand (participates in β ladder)trans-132.3118.2177.4178.9179.4179.9162.92.6109.4S572 A573 T574 T581S572-R579 PolarHBondContact OG-NH2 2.86Å; A573-R579 CarbonylContact O-C 3.54Å; A573-R579 WeakPolarHBondContact O-CA 3.4Å; T574-R579 HydrophobicContact CG2-CB 4.2Å; T574-R579 HydrophobicContact CG2-CG 3.69Å; R579-T581 HydrophobicContact CG-CG2 4.12Å
580H89.6Confident88.1Confident36 Ų3670.5 Ų70.517%0.16733%0.333CS..EExtended strand (participates in β ladder)trans-101.1137.4174.8-61.1-76.9000109.3S572 A573 D578 L591 T592 Q593 Y600S572-H580 WeakPolarHBondContact CA-O 3.18Å; A573-H580 PolarHBondContact N-O 2.94Å; A573-H580 PolarHBondContact O-N 2.87Å; D578-H580 IonicContact OD2-CD2 2.65Å; D578-H580 PolarHBondContact OD2-CD2 2.88Å; D578-H580 IonicContact OD2-CE1 2.71Å; D578-H580 IonicContact OD2-NE2 2.7Å; D578-H580 PolarHBondContact OD2-NE2 2.81Å; H580-L591 HydrophobicContact CB-CD2 4.44Å; H580-T592 PolarHBondContact ND1-O 2.66Å; H580-Q593 PolarHBondContact CE1-O 2.91Å; H580-Q593 VanDerWaalsContact CE1-O 3.3Å; H580-Y600 AromaticContact CD2-CE1 3.7Å; H580-Y600 AromaticContact CD2-CZ 3.97Å
581T91.6Very high88Confident85 Ų8569.1 Ų69.152%0.52133%0.325SS..EExtended strand (participates in β ladder)trans-134.5140.4-179.661.60000110.9I571 S572 R579I571-T581 VanDerWaalsContact O-CA 3.26Å; I571-T581 WeakPolarHBondContact O-CA 3.41Å; S572-T581 WeakPolarHBondContact OG-CG2 3.05Å; R579-T581 HydrophobicContact CG-CG2 4.12Å
582C91.1Very high87.8Confident16 Ų1672.1 Ų72.111%0.10834%0.343CS..EExtended strand (participates in β ladder)trans-131154.4170.475.20000109.9I571 C589 E590 L591I571-C582 PolarHBondContact N-O 3.08Å; I571-C582 PolarHBondContact O-N 2.65Å; C582-C589 HydrophobicContact CB-CB 4.46Å; C582-C589 WeakPolarHBondContact CB-SG 3.33Å; C582-C589 PolarHBondContact O-SG 2.89Å; C582-C589 VanDerWaalsContact SG-C 3.6Å; C582-C589 WeakPolarHBondContact SG-CB 3.21Å; C582-C589 CovalentContact SG-SG 2.03Å; C582-C589 PolarHBondContact SG-SG 2.87Å; C582-E590 VanDerWaalsContact CB-O 3.23Å; C582-E590 WeakPolarHBondContact CB-O 3.4Å; C582-L591 HydrophobicContact CB-CD2 4.22Å
583Q90.1Very high87.5Confident138 Ų13879 Ų7965%0.64538%0.375SS*.EExtended strand (participates in β ladder)trans-126.2138.5179.4-67.9-172.6-33.100110.6Y569 T570 C589Y569-Q583 WeakPolarHBondContact O-CA 3.41Å; T570-Q583 HydrophobicContact CG2-CG 4.02Å; T570-Q583 PolarHBondContact OG1-NE2 2.68Å; Q583-C589 PolarHBondContact N-SG 2.9Å; Q583-C589 VanDerWaalsContact N-SG 3.42Å
584S88.6Confident87.3Confident23 Ų2379.2 Ų79.216%0.16138%0.376CS..EExtended strand (participates in β ladder)trans-151.4151.8-179.7-170.90000111Y569 N586 S588Y569-S584 WeakPolarHBondContact CB-O 3.1Å; Y569-S584 PolarHBondContact N-O 2.87Å; Y569-S584 PolarHBondContact O-N 2.9Å; S584-N586 PolarHBondContact OG-N 2.91Å; S584-N586 VanDerWaalsContact OG-N 3.08Å; S584-N586 PolarHBondContact OG-O 2.81Å; S584-S588 WeakPolarHBondContact CB-O 3.21Å; S584-S588 PolarHBondContact OG-O 2.85Å
585R85.1Confident87.1Confident150 Ų15079.8 Ų79.857%0.56638%0.381SS*.SBendtrans-95.2-12.3164.7-68.5-174.3179.3-178.1-0.7112.5N568N568-R585 WeakPolarHBondContact OD1-CG 3.14Å; N568-R585 PolarHBondContact OD1-NE 3.45Å
586N85.6Confident87Confident112 Ų11281.2 Ų81.260%0.59939%0.386SS*.SBendtrans-90.4167-179.7-62.5-15.8000110.2S584 S588S584-N586 PolarHBondContact OG-N 2.91Å; S584-N586 VanDerWaalsContact OG-N 3.08Å; S584-N586 PolarHBondContact OG-O 2.81Å; N586-S588 PolarHBondContact O-N 2.78Å
587N87.7Confident86.9Confident83 Ų8372.5 Ų72.544%0.44436%0.361SS..SBendtrans-65.57.5173.971.1-9.9000115.3L558 I559 T561L558-N587 WeakPolarHBondContact CA-O 3.49Å; L558-N587 WeakPolarHBondContact CD1-O 3.35Å; I559-N587 PolarHBondContact N-O 3.19Å; T561-N587 HydrophobicContact CG2-CB 3.91Å
588S88.9Confident87.2Confident25 Ų2565.2 Ų65.218%0.17534%0.337CS..EExtended strand (participates in β ladder)trans-145.2151.3176.255.40000112.9K556 V557 S584 N586K556-S588 WeakPolarHBondContact CE-OG 3.08Å; V557-S588 CarbonylContact O-C 3.53Å; V557-S588 WeakPolarHBondContact O-CA 3.43Å; S584-S588 WeakPolarHBondContact CB-O 3.21Å; S584-S588 PolarHBondContact OG-O 2.85Å; N586-S588 PolarHBondContact O-N 2.78Å
589C90.8Very high87.2Confident7 Ų768.3 Ų68.35%0.04735%0.352CS..EExtended strand (participates in β ladder)trans-148.4140-176.3-164.10000109.6V557 I571 C582 Q583V557-C589 PolarHBondContact N-O 3.49Å; V557-C589 PolarHBondContact O-N 2.95Å; I571-C589 HydrophobicContact CD1-CB 3.58Å; I571-C589 HydrophobicContact CG1-CB 4.07Å; C582-C589 HydrophobicContact CB-CB 4.46Å; C582-C589 WeakPolarHBondContact CB-SG 3.33Å; C582-C589 PolarHBondContact O-SG 2.89Å; C582-C589 VanDerWaalsContact SG-C 3.6Å; C582-C589 WeakPolarHBondContact SG-CB 3.21Å; C582-C589 CovalentContact SG-SG 2.03Å; C582-C589 PolarHBondContact SG-SG 2.87Å; Q583-C589 PolarHBondContact N-SG 2.9Å; Q583-C589 VanDerWaalsContact N-SG 3.42Å
590E90.1Very high87.2Confident94 Ų9460.8 Ų60.844%0.43932%0.324SS..EExtended strand (participates in β ladder)trans-105.3115.4-177.5-68.2-176.7-173.400110.7K556 C582K556-E590 HydrophobicContact CB-CG 4.15Å; K556-E590 HydrophobicContact CD-CG 4.48Å; K556-E590 HydrophobicContact CG-CG 4.13Å; C582-E590 VanDerWaalsContact CB-O 3.23Å; C582-E590 WeakPolarHBondContact CB-O 3.4Å
591L89.5Confident87.2Confident1 Ų163.5 Ų63.51%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-80.9129.1167.8-65.1168.6000107.5T554 Y555 V557 I571 A573 H580 C582 L594 V602T554-L591 VanDerWaalsContact CA-O 3.28Å; T554-L591 WeakPolarHBondContact CA-O 3.34Å; Y555-L591 PolarHBondContact N-O 2.93Å; Y555-L591 PolarHBondContact O-N 2.85Å; V557-L591 HydrophobicContact CG2-CD1 3.61Å; V557-L591 HydrophobicContact CG2-CG 4.1Å; I571-L591 HydrophobicContact CG2-CD1 4.24Å; I571-L591 HydrophobicContact CG2-CD2 4.34Å; I571-L591 HydrophobicContact CG2-CG 4.45Å; A573-L591 HydrophobicContact CB-CD1 3.67Å; A573-L591 HydrophobicContact CB-CD2 4.3Å; H580-L591 HydrophobicContact CB-CD2 4.44Å; C582-L591 HydrophobicContact CB-CD2 4.22Å; L591-L594 VanDerWaalsContact C-CD1 3.47Å; L591-L594 HydrophobicContact CB-CD1 3.71Å; L591-L594 WeakPolarHBondContact O-CD1 3.3Å; L591-V602 HydrophobicContact CD1-CG1 4.24Å
592T87.1Confident87.2Confident63 Ų6359.5 Ų59.539%0.38731%0.312SS..  trans-125.9162.3-175.366.30000111.1S553 T554 H580 L594S553-T592 CarbonylContact O-C 3.5Å; T554-T592 HydrophobicContact CG2-CG2 3.72Å; H580-T592 PolarHBondContact ND1-O 2.66Å; T592-L594 VanDerWaalsContact C-N 3.33Å; T592-L594 PolarHBondContact O-N 3.45Å
593Q84.3Confident87.2Confident150 Ų15060 Ų6070%0.70132%0.315SS*.  trans65.928.3179.1-48.2-178.831.200114.7S553 H580 P595S553-Q593 PolarHBondContact O-N 2.71Å; H580-Q593 PolarHBondContact CE1-O 2.91Å; H580-Q593 VanDerWaalsContact CE1-O 3.3Å; Q593-P595 WeakPolarHBondContact O-CD 3.35Å
594L86.3Confident87.3Confident3 Ų353.5 Ų53.52%0.01628%0.284CS..PPolyproline II helixtrans-74.7116.1176-71.585000109.6S553 Y555 L591 T592 Y600 L621 T623S553-L594 PolarHBondContact O-N 3.46Å; S553-L594 VanDerWaalsContact O-N 3.08Å; Y555-L594 HydrophobicContact CD2-CD2 4.03Å; L591-L594 VanDerWaalsContact C-CD1 3.47Å; L591-L594 HydrophobicContact CB-CD1 3.71Å; L591-L594 WeakPolarHBondContact O-CD1 3.3Å; T592-L594 VanDerWaalsContact C-N 3.33Å; T592-L594 PolarHBondContact O-N 3.45Å; L594-Y600 HydrophobicContact CB-CE2 4.25Å; L594-Y600 HydrophobicContact CD2-CD2 3.76Å; L594-Y600 HydrophobicContact CD2-CE2 3.79Å; L594-Y600 HydrophobicContact CD2-CG 4.41Å; L594-Y600 HydrophobicContact CG-CE2 4.16Å; L594-L621 HydrophobicContact CD2-CD2 3.87Å; L594-T623 HydrophobicContact CB-CG2 4.04Å; L594-T623 HydrophobicContact CD2-CG2 4.2Å
595P83.9Confident87.4Confident58 Ų5853.9 Ų53.938%0.37729%0.286SS..PPolyproline II helixtrans-62.7148.9172.425.1-37000112.7Q593 T598 Y600 T623Q593-P595 WeakPolarHBondContact O-CD 3.35Å; P595-T598 HydrophobicContact CB-CG2 4.42Å; P595-T598 HydrophobicContact CG-CG2 4.01Å; P595-T598 PolarHBondContact O-OG1 2.8Å; P595-Y600 WeakPolarHBondContact CD-OH 3.33Å; P595-Y600 VanDerWaalsContact CG-OH 3.24Å; P595-Y600 WeakPolarHBondContact CG-OH 3.45Å; P595-T623 PolarHBondContact O-OG1 2.97Å
596C83.6Confident87.6Confident53 Ų5346.8 Ų46.836%0.35826%0.259SS..THydrogen-bonded Turntrans-69.3153.5176.850.60000113T598 G624 C626C596-T598 VanDerWaalsContact C-N 3.3Å; C596-T598 PolarHBondContact O-N 3.02Å; C596-G624 CarbonylContact C-O 3.56Å; C596-G624 WeakPolarHBondContact CA-O 3.46Å; C596-G624 WeakPolarHBondContact CB-O 3.19Å; C596-C626 HydrophobicContact CB-CB 4.06Å; C596-C626 WeakPolarHBondContact CB-SG 3.17Å; C596-C626 PolarHBondContact O-SG 2.94Å; C596-C626 WeakPolarHBondContact SG-CA 3.39Å; C596-C626 WeakPolarHBondContact SG-CB 3.46Å; C596-C626 CovalentContact SG-SG 2.03Å; C596-C626 PolarHBondContact SG-SG 2.96Å
597G78.7Confident87.7Confident24 Ų2443 Ų4325%0.24724%0.242CC..THydrogen-bonded Turntrans69.220.2175.700000115.7T623 G624 T649G597-T623 PolarHBondContact N-OG1 3.27Å; G597-T623 VanDerWaalsContact N-OG1 3.12Å; G597-G624 PolarHBondContact N-O 2.9Å; G597-T649 WeakPolarHBondContact CA-O 3.19Å
598T84.9Confident87.6Confident42 Ų4240.4 Ų40.426%0.25823%0.229SC..  trans-114.715617860.90000112.2P595 C596 Y600 T623P595-T598 HydrophobicContact CB-CG2 4.42Å; P595-T598 HydrophobicContact CG-CG2 4.01Å; P595-T598 PolarHBondContact O-OG1 2.8Å; C596-T598 VanDerWaalsContact C-N 3.3Å; C596-T598 PolarHBondContact O-N 3.02Å; T598-Y600 WeakPolarHBondContact OG1-CE2 3.49Å; T598-Y600 PolarHBondContact OG1-OH 3.44Å; T598-T623 PolarHBondContact N-OG1 2.81Å; T598-T623 PolarHBondContact O-N 3.44Å; T598-T623 PolarHBondContact O-OG1 2.81Å; T598-T623 PolarHBondContact OG1-OG1 2.86Å
599I85.9Confident87.3Confident112 Ų11244.7 Ų44.757%0.57427%0.265SS*.EExtended strand (participates in β ladder)trans-117.1131.6177.9-57.4169.8000108.2L621 E622I599-L621 WeakPolarHBondContact CA-O 3.37Å; I599-E622 HydrophobicContact CG1-CG 4.34Å
600Y87.8Confident86.9Confident1 Ų146.7 Ų46.70%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-114.8144.7177.2-65.5-86.8000111.6A573 G575 D578 H580 L594 P595 T598 T620 L621 T623A573-Y600 HydrophobicContact CB-CD1 3.94Å; A573-Y600 HydrophobicContact CB-CG 4.08Å; G575-Y600 VanDerWaalsContact CA-CD1 3.47Å; D578-Y600 PolarHBondContact OD1-OH 2.85Å; D578-Y600 PolarHBondContact OD2-OH 2.87Å; H580-Y600 AromaticContact CD2-CE1 3.7Å; H580-Y600 AromaticContact CD2-CZ 3.97Å; L594-Y600 HydrophobicContact CB-CE2 4.25Å; L594-Y600 HydrophobicContact CD2-CD2 3.76Å; L594-Y600 HydrophobicContact CD2-CE2 3.79Å; L594-Y600 HydrophobicContact CD2-CG 4.41Å; L594-Y600 HydrophobicContact CG-CE2 4.16Å; P595-Y600 WeakPolarHBondContact CD-OH 3.33Å; P595-Y600 VanDerWaalsContact CG-OH 3.24Å; P595-Y600 WeakPolarHBondContact CG-OH 3.45Å; T598-Y600 WeakPolarHBondContact OG1-CE2 3.49Å; T598-Y600 PolarHBondContact OG1-OH 3.44Å; Y600-T620 WeakPolarHBondContact O-CA 3.34Å; Y600-L621 PolarHBondContact N-O 2.73Å; Y600-L621 PolarHBondContact O-N 2.71Å; Y600-T623 HydrophobicContact CD2-CG2 4.18Å; Y600-T623 HydrophobicContact CE2-CG2 3.93Å
601E90.4Very high86.6Confident94 Ų9443.3 Ų43.344%0.43927%0.268SS..EExtended strand (participates in β ladder)trans-93.7117.7161.8-174.3173.2-164.400108.5A573 T574 S618A573-E601 WeakPolarHBondContact CA-O 3.46Å; T574-E601 PolarHBondContact N-O 2.54Å; T574-E601 PolarHBondContact O-N 3.13Å; T574-E601 PolarHBondContact OG1-O 2.53Å; T574-E601 VanDerWaalsContact OG1-O 3.07Å; E601-S618 VanDerWaalsContact CG-CB 3.44Å; E601-S618 WeakPolarHBondContact OE1-CB 3.49Å; E601-S618 PolarHBondContact OE1-OG 2.92Å
602V91.1Very high86.4Confident0 Ų050.4 Ų50.40%030%0.299CS..EExtended strand (participates in β ladder)trans-102.2125-176.6-1690000109.8I544 M547 V557 I571 S572 A573 L591 S618 K619 L621I544-V602 HydrophobicContact CD1-CB 4.15Å; I544-V602 HydrophobicContact CD1-CG1 3.9Å; I544-V602 WeakPolarHBondContact CD1-O 3.45Å; M547-V602 HydrophobicContact SD-CB 3.98Å; M547-V602 HydrophobicContact SD-CG1 4.21Å; M547-V602 HydrophobicContact SD-CG2 3.75Å; V557-V602 HydrophobicContact CG2-CG1 4.47Å; I571-V602 HydrophobicContact CG2-CG1 3.62Å; S572-V602 CarbonylContact O-C 3.52Å; S572-V602 WeakPolarHBondContact O-CA 3.37Å; A573-V602 HydrophobicContact CB-CG2 4.06Å; L591-V602 HydrophobicContact CD1-CG1 4.24Å; V602-S618 CarbonylContact O-C 3.51Å; V602-S618 VanDerWaalsContact O-CA 3.24Å; V602-S618 WeakPolarHBondContact O-CA 3.37Å; V602-K619 WeakPolarHBondContact CB-O 3.48Å; V602-K619 PolarHBondContact N-O 2.77Å; V602-K619 PolarHBondContact O-N 3.47Å; V602-L621 HydrophobicContact CG2-CB 3.74Å; V602-L621 HydrophobicContact CG2-CD2 4.08Å
603T91.6Very high86.5Confident28 Ų2847.9 Ų47.917%0.17228%0.283CS..EExtended strand (participates in β ladder)trans-123.9153.717750.50000110.7I571 S572I571-T603 CarbonylContact C-O 3.48Å; I571-T603 WeakPolarHBondContact CA-O 3.28Å; S572-T603 PolarHBondContact N-O 3.4Å; S572-T603 PolarHBondContact O-N 3.46Å; S572-T603 PolarHBondContact O-OG1 3.02Å
604A90.6Very high86.5Confident0 Ų045.3 Ų45.30%027%0.274CS..EExtended strand (participates in β ladder)trans-129.7139177.700000110.9P542 I544 I559 I571 G616P542-A604 HydrophobicContact CB-CB 4.38Å; P542-A604 HydrophobicContact CG-CB 3.65Å; I544-A604 HydrophobicContact CD1-CB 4.47Å; I544-A604 HydrophobicContact CG1-CB 4.07Å; I559-A604 HydrophobicContact CG2-CB 4.37Å; I571-A604 HydrophobicContact CG1-CB 4.33Å; A604-G616 PolarHBondContact O-N 2.84Å
605V90.8Very high86.5Confident32 Ų3249.4 Ų49.419%0.19430%0.301CS..EExtended strand (participates in β ladder)trans-133.4131.4-178178.80000109.1Y569 T570 K612 P615Y569-V605 WeakPolarHBondContact CA-O 3.46Å; T570-V605 PolarHBondContact N-O 3.02Å; T570-V605 PolarHBondContact O-N 3.23Å; V605-K612 HydrophobicContact CG1-CB 4.25Å; V605-P615 HydrophobicContact CG2-CB 4.33Å
606A90.2Very high86.4Confident0 Ų047.1 Ų47.10%029%0.288CS..EExtended strand (participates in β ladder)trans-90.1146.3171.200000110.9P539 N563 T567 Y569 K612 S613P539-A606 HydrophobicContact CB-CB 3.99Å; P539-A606 HydrophobicContact CG-CB 4.09Å; N563-A606 WeakPolarHBondContact ND2-CB 3.26Å; T567-A606 HydrophobicContact CG2-CB 3.67Å; Y569-A606 HydrophobicContact CD1-CB 3.93Å; Y569-A606 HydrophobicContact CE1-CB 3.87Å; A606-K612 CarbonylContact O-C 3.54Å; A606-K612 WeakPolarHBondContact O-CA 3.33Å; A606-S613 PolarHBondContact N-OG 2.82Å; A606-S613 PolarHBondContact O-N 3.01Å
607S87.9Confident86.5Confident34 Ų3455.2 Ų55.224%0.23831%0.312CS..EExtended strand (participates in β ladder)trans-139129.4177.7-163.20000110.7N568N568-S607 PolarHBondContact N-O 2.91Å; N568-S607 PolarHBondContact O-N 3.17Å
608T86.3Confident87Confident28 Ų2856.8 Ų56.817%0.17232%0.319CS..  trans-119.5-173.2171.962.10000109.5P539 T567 V610 G611P539-T608 HydrophobicContact CB-CG2 3.91Å; P539-T608 HydrophobicContact CG-CG2 3.95Å; T567-T608 HydrophobicContact CG2-CG2 4.26Å; T567-T608 WeakPolarHBondContact OG1-CG2 3.32Å; T608-V610 PolarHBondContact O-N 3.21Å; T608-V610 PolarHBondContact OG1-N 2.79Å; T608-G611 PolarHBondContact N-O 2.84Å
609A81.4Confident87.1Confident114 Ų11458.7 Ų58.794%0.94232%0.324SS*.SBendtrans-69.6-22.317200000113.2
610V81.7Confident87.2Confident50 Ų5058.7 Ų58.730%0.30333%0.33SS..SBendtrans-80.6-37.2-178179.70000111.4V464 E536 T608V464-V610 HydrophobicContact CB-CG1 4.41Å; V464-V610 HydrophobicContact CG1-CG1 3.62Å; E536-V610 HydrophobicContact CB-CG2 4.29Å; E536-V610 WeakPolarHBondContact O-CG1 3.39Å; T608-V610 PolarHBondContact O-N 3.21Å; T608-V610 PolarHBondContact OG1-N 2.79Å
611G83.8Confident87.1Confident23 Ų2359.2 Ų59.224%0.23733%0.332CS..  trans172.5-161.7-177.500000113.7T608T608-G611 PolarHBondContact N-O 2.84Å
612K86.1Confident86.9Confident150 Ų15056.8 Ų56.865%0.65232%0.321SS*.BIsolated β-bridgetrans-116.2148.2175.5-68.6175.3-177.4172.50109.8V605 A606V605-K612 HydrophobicContact CG1-CB 4.25Å; A606-K612 CarbonylContact O-C 3.54Å; A606-K612 WeakPolarHBondContact O-CA 3.33Å
613S88.4Confident86.5Confident9 Ų956.9 Ų56.96%0.06332%0.322CS..PPolyproline II helixtrans-67.4161.8168.675.40000110.7P539 A606P539-S613 WeakPolarHBondContact O-CA 3.24Å; P539-S613 WeakPolarHBondContact O-CB 3.38Å; A606-S613 PolarHBondContact N-OG 2.82Å; A606-S613 PolarHBondContact O-N 3.01Å
614L86Confident85.9Confident97 Ų9756 Ų5651%0.50832%0.318SS..PPolyproline II helixtrans-58.4153.3156.1-64174.5000110T466 A541 G616T466-L614 HydrophobicContact CG2-CG 4.48Å; A541-L614 WeakPolarHBondContact CB-O 3.2Å; L614-G616 PolarHBondContact O-N 3Å
615P85.2Confident85.6Confident89 Ų8956.1 Ų56.158%0.57832%0.318SS*.PPolyproline II helixtrans-62.5128.5172.3-19.132.2000110.7V605V605-P615 HydrophobicContact CG2-CB 4.33Å
616G82.8Confident85.4Confident10 Ų1055.5 Ų55.510%0.10332%0.316CS..PPolyproline II helixtrans-65.1158.2170.200000111.7A604 L614 S618A604-G616 PolarHBondContact O-N 2.84Å; L614-G616 PolarHBondContact O-N 3Å; G616-S618 PolarHBondContact O-N 3.38Å
617Y85.4Confident85Confident223 Ų22358.6 Ų58.688%0.87534%0.336SS*.PPolyproline II helixtrans-51.2133.5178.6-65.8-72.9000112.1
618S88.4Confident84.8Confident56 Ų5657.2 Ų57.239%0.39233%0.326SS..PPolyproline II helixtrans-74.7147.3-177.356.90000112.4E601 V602 G616E601-S618 VanDerWaalsContact CG-CB 3.44Å; E601-S618 WeakPolarHBondContact OE1-CB 3.49Å; E601-S618 PolarHBondContact OE1-OG 2.92Å; V602-S618 CarbonylContact O-C 3.51Å; V602-S618 VanDerWaalsContact O-CA 3.24Å; V602-S618 WeakPolarHBondContact O-CA 3.37Å; G616-S618 PolarHBondContact O-N 3.38Å
619K87.6Confident84.5Confident82 Ų8260.8 Ų60.836%0.35735%0.353SS..EExtended strand (participates in β ladder)trans-122.9138.5169.2-72.3-169.2174.9174.80110.1I544 M547 V602I544-K619 HydrophobicContact CB-CD 4.13Å; I544-K619 HydrophobicContact CB-CG 4.48Å; I544-K619 HydrophobicContact CG2-CD 4.07Å; I544-K619 WeakPolarHBondContact O-CD 3.4Å; I544-K619 VanDerWaalsContact O-CE 3.25Å; I544-K619 WeakPolarHBondContact O-CE 3.13Å; I544-K619 PolarHBondContact O-NZ 3.11Å; M547-K619 HydrophobicContact CE-CB 3.75Å; V602-K619 WeakPolarHBondContact CB-O 3.48Å; V602-K619 PolarHBondContact N-O 2.77Å; V602-K619 PolarHBondContact O-N 3.47Å
620T87.7Confident84.5Confident113 Ų11359.2 Ų59.269%0.69333%0.332SS*.EExtended strand (participates in β ladder)trans-79.4142179.147.60000111.4M547 Y600M547-T620 VanDerWaalsContact CE-O 3.29Å; M547-T620 WeakPolarHBondContact CE-O 3.15Å; Y600-T620 WeakPolarHBondContact O-CA 3.34Å
621L86.8Confident84.5Confident12 Ų1258.2 Ų58.26%0.06333%0.326CS..EExtended strand (participates in β ladder)trans-131116.1179.3177.764.5000109.6M547 Y555 L594 I599 Y600 V602M547-L621 HydrophobicContact CB-CD1 4.31Å; M547-L621 HydrophobicContact CE-CB 4.13Å; M547-L621 HydrophobicContact CE-CD1 4.4Å; M547-L621 HydrophobicContact SD-CB 4.2Å; M547-L621 HydrophobicContact SD-CD1 4.32Å; M547-L621 HydrophobicContact SD-CD2 4.45Å; Y555-L621 HydrophobicContact CD1-CD1 3.65Å; Y555-L621 HydrophobicContact CD1-CD2 4.26Å; Y555-L621 HydrophobicContact CD1-CG 4.44Å; Y555-L621 HydrophobicContact CD2-CD2 4.45Å; Y555-L621 HydrophobicContact CE1-CD1 3.76Å; Y555-L621 HydrophobicContact CG-CD1 4.28Å; Y555-L621 HydrophobicContact CG-CD2 4.05Å; L594-L621 HydrophobicContact CD2-CD2 3.87Å; I599-L621 WeakPolarHBondContact CA-O 3.37Å; Y600-L621 PolarHBondContact N-O 2.73Å; Y600-L621 PolarHBondContact O-N 2.71Å; V602-L621 HydrophobicContact CG2-CB 3.74Å; V602-L621 HydrophobicContact CG2-CD2 4.08Å
622E84.5Confident84.5Confident43 Ų4362.3 Ų62.320%0.20134%0.342CS..EExtended strand (participates in β ladder)trans-95.4133172.9-171.7-178.3151.300110.2Y555 I599 S693 T695Y555-E622 PolarHBondContact OH-O 2.89Å; I599-E622 HydrophobicContact CG1-CG 4.34Å; E622-S693 WeakPolarHBondContact OE1-CB 3.42Å; E622-S693 PolarHBondContact OE1-OG 2.63Å; E622-T695 PolarHBondContact OE1-OG1 3.41Å; E622-T695 WeakPolarHBondContact OE2-CB 3.4Å; E622-T695 WeakPolarHBondContact OE2-CG2 3.27Å; E622-T695 PolarHBondContact OE2-OG1 2.91Å
623T83.8Confident84.3Confident2 Ų256.8 Ų56.81%0.01232%0.321CS..PPolyproline II helixtrans-91147.6172.4590000111Y555 L594 P595 G597 T598 Y600Y555-T623 HydrophobicContact CE2-CG2 4.04Å; Y555-T623 WeakPolarHBondContact OH-CA 3.47Å; L594-T623 HydrophobicContact CB-CG2 4.04Å; L594-T623 HydrophobicContact CD2-CG2 4.2Å; P595-T623 PolarHBondContact O-OG1 2.97Å; G597-T623 PolarHBondContact N-OG1 3.27Å; G597-T623 VanDerWaalsContact N-OG1 3.12Å; T598-T623 PolarHBondContact N-OG1 2.81Å; T598-T623 PolarHBondContact O-N 3.44Å; T598-T623 PolarHBondContact O-OG1 2.81Å; T598-T623 PolarHBondContact OG1-OG1 2.86Å; Y600-T623 HydrophobicContact CD2-CG2 4.18Å; Y600-T623 HydrophobicContact CE2-CG2 3.93Å
624G79.1Confident84Confident9 Ų959.8 Ų59.89%0.09334%0.339CS..PPolyproline II helixtrans-56.7149.3178.900000112.9C596 G597C596-G624 CarbonylContact C-O 3.56Å; C596-G624 WeakPolarHBondContact CA-O 3.46Å; C596-G624 WeakPolarHBondContact CB-O 3.19Å; G597-G624 PolarHBondContact N-O 2.9Å
625P84.8Confident83.6Confident2 Ų257.6 Ų57.61%0.01333%0.326CS..PPolyproline II helixtrans-64.5150.2-174.827.8-35.7000112.1A651 A691 H697 S699P625-A651 HydrophobicContact CB-CB 4.02Å; P625-A691 HydrophobicContact CB-CB 4.38Å; P625-A691 HydrophobicContact CG-CB 4.3Å; P625-A691 WeakPolarHBondContact CG-O 3.22Å; P625-H697 WeakPolarHBondContact CD-O 3.35Å; P625-H697 WeakPolarHBondContact CG-O 3.47Å; P625-S699 WeakPolarHBondContact O-CB 3.38Å; P625-S699 PolarHBondContact O-OG 2.85Å
626C85Confident83.4Confident20 Ų2056.9 Ų56.914%0.13532%0.32CS..PPolyproline II helixtrans-76.4144.9177.5-66.20000112.7C596 T649C596-C626 HydrophobicContact CB-CB 4.06Å; C596-C626 WeakPolarHBondContact CB-SG 3.17Å; C596-C626 PolarHBondContact O-SG 2.94Å; C596-C626 WeakPolarHBondContact SG-CA 3.39Å; C596-C626 WeakPolarHBondContact SG-CB 3.46Å; C596-C626 CovalentContact SG-SG 2.03Å; C596-C626 PolarHBondContact SG-SG 2.96Å; C626-T649 WeakPolarHBondContact CB-OG1 3.35Å; C626-T649 PolarHBondContact N-O 3.01Å; C626-T649 PolarHBondContact SG-OG1 2.8Å
627C81.8Confident83.1Confident64 Ų6458.5 Ų58.543%0.43233%0.328SS..PPolyproline II helixtrans-64.7137.2169.6-77.40000111.8S629 C701C627-S629 PolarHBondContact O-N 2.86Å; C627-C701 WeakPolarHBondContact CA-SG 3.24Å; C627-C701 HydrophobicContact CB-CB 3.91Å; C627-C701 WeakPolarHBondContact CB-SG 3.46Å; C627-C701 WeakPolarHBondContact SG-CB 3.3Å; C627-C701 CovalentContact SG-SG 2.03Å; C627-C701 PolarHBondContact SG-SG 2.96Å
628P84.4Confident82.6Confident5 Ų552.4 Ų52.43%0.03231%0.307CS..PPolyproline II helixtrans-50.1133.7164.9-36.343.8000113.3W645 S646 Y654 L689 Y703P628-W645 HydrophobicContact CB-CB 4.23Å; P628-S646 WeakPolarHBondContact CB-O 3.5Å; P628-S646 WeakPolarHBondContact CG-O 3.37Å; P628-Y654 HydrophobicContact CG-CD1 4.28Å; P628-Y654 HydrophobicContact CG-CE1 3.88Å; P628-L689 HydrophobicContact CB-CD2 4.01Å; P628-L689 HydrophobicContact CG-CD2 3.68Å; P628-Y703 PolarHBondContact O-OH 3.1Å
629S80.1Confident82.1Confident103 Ų10351.5 Ų51.572%0.7230%0.303SS*.SBendtrans-78.2-31.8-176.361.30000113.4C627 S646C627-S629 PolarHBondContact O-N 2.86Å; S629-S646 PolarHBondContact N-OG 3.05Å; S629-S646 PolarHBondContact OG-OG 2.8Å
630T80.3Confident81.9Confident82 Ų8251 Ų5150%0.50330%0.303SS..  trans-129.8140.8-179.4600000111.5W645 S646T630-W645 WeakPolarHBondContact O-CA 3.18Å; T630-W645 WeakPolarHBondContact O-CB 3.35Å; T630-S646 PolarHBondContact N-OG 3.05Å; T630-S646 PolarHBondContact O-N 2.71Å; T630-S646 VanDerWaalsContact O-N 3.13Å
631V83.1Confident81.7Confident29 Ų2945.6 Ų45.618%0.17627%0.27CS..EExtended strand (participates in β ladder)trans-137.9122.3173.6-177.10000109.1L643 T644 W645 V687 L689 Y703V631-L643 HydrophobicContact CG1-CD2 4Å; V631-L643 HydrophobicContact CG1-CG 4.27Å; V631-T644 CarbonylContact C-O 3.47Å; V631-T644 WeakPolarHBondContact CA-O 3.23Å; V631-W645 HydrophobicContact CG2-CB 3.96Å; V631-V687 HydrophobicContact CG1-CG1 4.17Å; V631-L689 HydrophobicContact CG2-CD2 4.27Å; V631-Y703 HydrophobicContact CB-CD1 4.05Å; V631-Y703 HydrophobicContact CB-CE1 4.34Å; V631-Y703 HydrophobicContact CB-CG 4.15Å; V631-Y703 HydrophobicContact CG2-CD1 3.61Å; V631-Y703 HydrophobicContact CG2-CD2 3.86Å; V631-Y703 HydrophobicContact CG2-CE1 3.44Å; V631-Y703 VanDerWaalsContact CG2-CE1 3.44Å; V631-Y703 HydrophobicContact CG2-CE2 3.73Å; V631-Y703 HydrophobicContact CG2-CG 3.82Å
632N83.6Confident81.7Confident108 Ų10846.9 Ų46.958%0.57828%0.277SS*.EExtended strand (participates in β ladder)trans-114.6132.9177.9-80.3-16.2000110.3T644N632-T644 WeakPolarHBondContact CB-OG1 3.33Å; N632-T644 PolarHBondContact N-O 2.94Å; N632-T644 PolarHBondContact O-N 2.87Å; N632-T644 PolarHBondContact O-OG1 2.77Å; N632-T644 VanDerWaalsContact O-OG1 3.09Å
633V82.3Confident81.8Confident35 Ų3544.9 Ų44.921%0.21227%0.267CS..EExtended strand (participates in β ladder)trans-117121.2176.8-167.40000109.2T641 L643 V687 F706V633-T641 HydrophobicContact CG1-CG2 4.22Å; V633-L643 HydrophobicContact CB-CD1 4.44Å; V633-L643 HydrophobicContact CG1-CD1 4.13Å; V633-L643 HydrophobicContact CG2-CD1 3.58Å; V633-L643 HydrophobicContact CG2-CG 4.06Å; V633-V687 HydrophobicContact CG2-CG2 3.85Å; V633-F706 HydrophobicContact CB-CB 4.08Å; V633-F706 HydrophobicContact CB-CD2 3.75Å; V633-F706 HydrophobicContact CB-CE2 4.47Å; V633-F706 HydrophobicContact CB-CG 3.99Å; V633-F706 HydrophobicContact CG1-CB 4.01Å; V633-F706 HydrophobicContact CG1-CD1 4Å; V633-F706 HydrophobicContact CG1-CD2 3.54Å; V633-F706 HydrophobicContact CG1-CE1 4.42Å; V633-F706 HydrophobicContact CG1-CE2 3.99Å; V633-F706 HydrophobicContact CG1-CG 3.55Å; V633-F706 HydrophobicContact CG1-CZ 4.42Å; V633-F706 HydrophobicContact CG2-CB 4.25Å
634T82.2Confident82.1Confident71 Ų7146.8 Ų46.844%0.43628%0.279SS..EExtended strand (participates in β ladder)trans-120.9138.1179.755.60000110.2T641 N642T634-T641 CarbonylContact O-C 3.46Å; T634-T641 VanDerWaalsContact O-CA 3.32Å; T634-T641 WeakPolarHBondContact O-CA 3.48Å; T634-N642 PolarHBondContact N-O 3.12Å; T634-N642 PolarHBondContact O-N 3.23Å; T634-N642 PolarHBondContact OG1-O 2.85Å
635Q77.6Confident82.5Confident51 Ų5147 Ų4724%0.23828%0.277CS..EExtended strand (participates in β ladder)trans-91.6124.3178.6-163.6174.4-19.900110.6T637 T641 F706 S709Q635-T637 VanDerWaalsContact CG-O 3.24Å; Q635-T637 WeakPolarHBondContact CG-O 3.29Å; Q635-T637 PolarHBondContact NE2-O 2.84Å; Q635-T641 HydrophobicContact CB-CG2 4.25Å; Q635-T641 HydrophobicContact CG-CG2 4.16Å; Q635-F706 HydrophobicContact CB-CE2 4.47Å; Q635-F706 HydrophobicContact CB-CZ 4.01Å; Q635-F706 HydrophobicContact CG-CZ 4.41Å; Q635-S709 PolarHBondContact NE2-OG 3.26Å; Q635-S709 PolarHBondContact OE1-OG 2.93Å
636V80.3Confident82.7Confident74 Ų7447.8 Ų47.845%0.44828%0.283SS..EExtended strand (participates in β ladder)trans-95.4-39.2-176.6-173.10000110.8M640 N642V636-M640 HydrophobicContact CB-CB 4.45Å; V636-M640 PolarHBondContact N-O 2.81Å; V636-N642 HydrophobicContact CG2-CB 3.91Å
637T76.9Confident82.6Confident45 Ų4551.4 Ų51.428%0.27631%0.306SS..EExtended strand (participates in β ladder)trans-145.9177.9174.6700000110.7Q635 A639 M640Q635-T637 VanDerWaalsContact CG-O 3.24Å; Q635-T637 WeakPolarHBondContact CG-O 3.29Å; Q635-T637 PolarHBondContact NE2-O 2.84Å; T637-A639 PolarHBondContact O-N 2.91Å; T637-A639 PolarHBondContact OG1-N 2.8Å; T637-M640 HydrophobicContact CG2-CE 3.54Å; T637-M640 PolarHBondContact N-O 3.16Å; T637-M640 VanDerWaalsContact N-O 3.17Å; T637-M640 PolarHBondContact O-N 2.84Å; T637-M640 WeakPolarHBondContact OG1-CB 3.42Å; T637-M640 PolarHBondContact OG1-N 2.78Å; T637-M640 VanDerWaalsContact OG1-N 3.16Å
638Q74.7Confident82.7Confident94 Ų9448.8 Ų48.844%0.43929%0.29SS..THydrogen-bonded Turntrans-56.9-14.7172.671178.66.500115F789Q638-F789 HydrophobicContact CB-CD2 4.48Å; Q638-F789 HydrophobicContact CB-CE2 3.7Å; Q638-F789 HydrophobicContact CB-CZ 4.14Å
639A77.9Confident82.5Confident37 Ų3752.9 Ų52.931%0.30632%0.315SS..THydrogen-bonded Turntrans-133.310.5-176.400000114T637 G677 C678 I679T637-A639 PolarHBondContact O-N 2.91Å; T637-A639 PolarHBondContact OG1-N 2.8Å; A639-G677 CarbonylContact O-C 3.56Å; A639-C678 PolarHBondContact O-N 2.9Å; A639-I679 WeakPolarHBondContact CA-O 3.44Å; A639-I679 PolarHBondContact O-N 3.01Å
640M82.6Confident82.4Confident71 Ų7149.8 Ų49.835%0.3530%0.3SS..EExtended strand (participates in β ladder)trans-141.7138.7-179.8-58.6-170.5-6800112.5V636 T637 L675 M676V636-M640 HydrophobicContact CB-CB 4.45Å; V636-M640 PolarHBondContact N-O 2.81Å; T637-M640 HydrophobicContact CG2-CE 3.54Å; T637-M640 PolarHBondContact N-O 3.16Å; T637-M640 VanDerWaalsContact N-O 3.17Å; T637-M640 PolarHBondContact O-N 2.84Å; T637-M640 WeakPolarHBondContact OG1-CB 3.42Å; T637-M640 PolarHBondContact OG1-N 2.78Å; T637-M640 VanDerWaalsContact OG1-N 3.16Å; M640-L675 HydrophobicContact CB-CD2 4.27Å; M640-L675 HydrophobicContact SD-CD2 4.09Å; M640-M676 WeakPolarHBondContact CA-O 3.49Å
641T83.1Confident82.5Confident0 Ų047 Ų470%028%0.284CS..EExtended strand (participates in β ladder)trans-128.5142.2176.3310000110.9V633 T634 Q635 L675 M676 I679 F706V633-T641 HydrophobicContact CG1-CG2 4.22Å; T634-T641 CarbonylContact O-C 3.46Å; T634-T641 VanDerWaalsContact O-CA 3.32Å; T634-T641 WeakPolarHBondContact O-CA 3.48Å; Q635-T641 HydrophobicContact CB-CG2 4.25Å; Q635-T641 HydrophobicContact CG-CG2 4.16Å; T641-L675 CarbonylContact O-C 3.59Å; T641-L675 WeakPolarHBondContact O-CA 3.45Å; T641-M676 PolarHBondContact N-O 3.1Å; T641-M676 PolarHBondContact O-N 3.24Å; T641-I679 HydrophobicContact CG2-CD1 3.57Å; T641-F706 HydrophobicContact CG2-CD1 4.35Å; T641-F706 HydrophobicContact CG2-CE1 3.51Å; T641-F706 HydrophobicContact CG2-CE2 4.37Å; T641-F706 HydrophobicContact CG2-CZ 3.52Å
642N87.1Confident82.6Confident40 Ų4048.3 Ų48.321%0.21430%0.295CS..EExtended strand (participates in β ladder)trans-104.6121.6170.3-178.329.6000109.3T634 V636T634-N642 PolarHBondContact N-O 3.12Å; T634-N642 PolarHBondContact O-N 3.23Å; T634-N642 PolarHBondContact OG1-O 2.85Å; V636-N642 HydrophobicContact CG2-CB 3.91Å
643L87.6Confident82.8Confident0 Ų043.6 Ų43.60%027%0.271CS..EExtended strand (participates in β ladder)trans-106.4127.7179.3-153.4121.5000108.1V631 V633 W645 A656 L658 H673 C674 V687V631-L643 HydrophobicContact CG1-CD2 4Å; V631-L643 HydrophobicContact CG1-CG 4.27Å; V633-L643 HydrophobicContact CB-CD1 4.44Å; V633-L643 HydrophobicContact CG1-CD1 4.13Å; V633-L643 HydrophobicContact CG2-CD1 3.58Å; V633-L643 HydrophobicContact CG2-CG 4.06Å; L643-W645 HydrophobicContact CB-CZ3 4.37Å; L643-W645 HydrophobicContact CD2-CE3 3.75Å; L643-W645 HydrophobicContact CD2-CZ3 3.69Å; L643-W645 WeakPolarHBondContact O-CZ3 3.45Å; L643-A656 HydrophobicContact CD2-CB 4.11Å; L643-L658 HydrophobicContact CD1-CD1 4.3Å; L643-L658 HydrophobicContact CD1-CD2 3.71Å; L643-L658 HydrophobicContact CD1-CG 3.96Å; L643-H673 CarbonylContact O-C 3.58Å; L643-H673 VanDerWaalsContact O-CA 3.29Å; L643-H673 WeakPolarHBondContact O-CA 3.02Å; L643-C674 PolarHBondContact N-O 2.86Å; L643-C674 PolarHBondContact O-N 3.28Å; L643-V687 HydrophobicContact CD1-CG1 3.82Å; L643-V687 HydrophobicContact CD1-CG2 4.06Å; L643-V687 HydrophobicContact CD2-CG1 3.92Å; L643-V687 HydrophobicContact CG-CG1 4.41Å
644T88.8Confident83.2Confident42 Ų4242.4 Ų42.426%0.25826%0.262SS..EExtended strand (participates in β ladder)trans-134.2142.4-173500000109.9V631 N632 H673V631-T644 CarbonylContact C-O 3.47Å; V631-T644 WeakPolarHBondContact CA-O 3.23Å; N632-T644 WeakPolarHBondContact CB-OG1 3.33Å; N632-T644 PolarHBondContact N-O 2.94Å; N632-T644 PolarHBondContact O-N 2.87Å; N632-T644 PolarHBondContact O-OG1 2.77Å; N632-T644 VanDerWaalsContact O-OG1 3.09Å; T644-H673 HydrophobicContact CG2-CB 3.85Å
645W88.9Confident83.5Confident14 Ų1441.2 Ų41.25%0.05325%0.253CS..EExtended strand (participates in β ladder)trans-143.3168.2-177.556.195.2000113.3P628 T630 V631 L643 Y654 A656 T669 D671 T672 C674 L689P628-W645 HydrophobicContact CB-CB 4.23Å; T630-W645 WeakPolarHBondContact O-CA 3.18Å; T630-W645 WeakPolarHBondContact O-CB 3.35Å; V631-W645 HydrophobicContact CG2-CB 3.96Å; L643-W645 HydrophobicContact CB-CZ3 4.37Å; L643-W645 HydrophobicContact CD2-CE3 3.75Å; L643-W645 HydrophobicContact CD2-CZ3 3.69Å; L643-W645 WeakPolarHBondContact O-CZ3 3.45Å; W645-Y654 AromaticContact CE2-CG 3.95Å; W645-Y654 HydrophobicContact CZ2-CD2 4.32Å; W645-Y654 HydrophobicContact CZ2-CG 4.05Å; W645-Y654 AromaticContact NE1-CD1 3.47Å; W645-Y654 AromaticContact NE1-CD2 3.54Å; W645-Y654 AromaticContact NE1-CE1 3.85Å; W645-Y654 AromaticContact NE1-CE2 3.93Å; W645-Y654 AromaticContact NE1-CG 3.31Å; W645-Y654 VanDerWaalsContact NE1-CG 3.31Å; W645-A656 HydrophobicContact CH2-CB 3.89Å; W645-A656 HydrophobicContact CZ3-CB 4.01Å; W645-T669 HydrophobicContact CH2-CG2 3.63Å; W645-T669 HydrophobicContact CZ2-CG2 3.56Å; W645-D671 WeakPolarHBondContact CZ2-O 3.28Å; W645-T672 PolarHBondContact N-O 2.87Å; W645-T672 VanDerWaalsContact O-CB 3.25Å; W645-T672 WeakPolarHBondContact O-CB 3.39Å; W645-T672 PolarHBondContact O-OG1 2.87Å; W645-C674 HydrophobicContact CH2-CB 4.1Å; W645-C674 HydrophobicContact CZ3-CB 4.36Å; W645-L689 HydrophobicContact CB-CD2 3.97Å; W645-L689 HydrophobicContact CD2-CD1 4.13Å; W645-L689 HydrophobicContact CD2-CD2 3.82Å; W645-L689 HydrophobicContact CE3-CD1 4.35Å; W645-L689 HydrophobicContact CE3-CD2 4.44Å; W645-L689 HydrophobicContact CG-CD2 3.6Å; W645-L689 HydrophobicContact CH2-CD1 4.25Å; W645-L689 HydrophobicContact CZ2-CD1 4.02Å; W645-L689 HydrophobicContact CZ3-CD1 4.4Å
646S87.9Confident84Confident19 Ų1938.8 Ų38.813%0.13324%0.242CC..PPolyproline II helixtrans-79.6148169.160.90000111.6P628 S629 T630P628-S646 WeakPolarHBondContact CB-O 3.5Å; P628-S646 WeakPolarHBondContact CG-O 3.37Å; S629-S646 PolarHBondContact N-OG 3.05Å; S629-S646 PolarHBondContact OG-OG 2.8Å; T630-S646 PolarHBondContact N-OG 3.05Å; T630-S646 PolarHBondContact O-N 2.71Å; T630-S646 VanDerWaalsContact O-N 3.13Å
647P84Confident84.3Confident95 Ų9535.4 Ų35.462%0.61722%0.222SC*.PPolyproline II helixtrans-62.8139.5171.127.5-34000111.7Y654 T672P647-Y654 WeakPolarHBondContact CA-OH 3.42Å; P647-T672 HydrophobicContact CB-CG2 4.03Å
648G82.5Confident84.7Confident10 Ų1033.3 Ų33.310%0.10321%0.208CC..PPolyproline II helixtrans-94.2136.9172.200000111.5G650 A651 Y654G648-G650 PolarHBondContact O-N 3.1Å; G648-A651 WeakPolarHBondContact O-CB 3.36Å; G648-A651 PolarHBondContact O-N 2.85Å; G648-Y654 PolarHBondContact N-OH 3.27Å
649T81.8Confident85.1Confident90 Ų9031.5 Ų31.555%0.55220%0.201SC*.THydrogen-bonded Turntrans-66.6132.3177.741.30000111.2G597 C626 A651G597-T649 WeakPolarHBondContact CA-O 3.19Å; C626-T649 WeakPolarHBondContact CB-OG1 3.35Å; C626-T649 PolarHBondContact N-O 3.01Å; C626-T649 PolarHBondContact SG-OG1 2.8Å; T649-A651 PolarHBondContact O-N 3.25Å
650G77.3Confident85.2Confident39 Ų3930.7 Ų30.740%0.40219%0.193SC..THydrogen-bonded Turntrans77.9-4-174.300000115.4G648 S693G648-G650 PolarHBondContact O-N 3.1Å; G650-S693 WeakPolarHBondContact O-CA 3.36Å; G650-S693 VanDerWaalsContact O-CB 3.25Å; G650-S693 WeakPolarHBondContact O-CB 3.38Å
651A83Confident84.8Confident22 Ų2233.8 Ų33.818%0.18222%0.218CC..  trans-85.5129.9177.200000111.5P625 G648 T649 Y654 A691 I692P625-A651 HydrophobicContact CB-CB 4.02Å; G648-A651 WeakPolarHBondContact O-CB 3.36Å; G648-A651 PolarHBondContact O-N 2.85Å; T649-A651 PolarHBondContact O-N 3.25Å; A651-Y654 HydrophobicContact CB-CE1 3.78Å; A651-A691 HydrophobicContact CB-CB 3.93Å; A651-I692 CarbonylContact C-O 3.56Å
652S84.7Confident84.3Confident58 Ų5842.6 Ų42.641%0.40625%0.252SS..SBendtrans-103-27.3175.263.70000113.1L670 I692 S693 S694S652-L670 WeakPolarHBondContact O-CD2 3.32Å; S652-I692 PolarHBondContact N-O 2.78Å; S652-I692 PolarHBondContact OG-O 3.47Å; S652-I692 VanDerWaalsContact OG-O 3.09Å; S652-S693 VanDerWaalsContact OG-C 3.24Å; S652-S693 PolarHBondContact OG-O 3.2Å; S652-S694 PolarHBondContact OG-N 2.91Å
653S88.6Confident83.9Confident9 Ų942.7 Ų42.76%0.06326%0.262CS..EExtended strand (participates in β ladder)trans-146.1162173.374.30000112.5H668 I692S653-H668 WeakPolarHBondContact CB-NE2 3.45Å; S653-H668 PolarHBondContact OG-NE2 3.23Å; S653-I692 PolarHBondContact N-O 3.24Å; S653-I692 PolarHBondContact O-N 2.85Å
654Y89.1Confident83.6Confident9 Ų948 Ų484%0.03529%0.287CS..EExtended strand (participates in β ladder)trans-129.9135.5-177.1-55.3-85.3000111.6P628 W645 P647 G648 A651 H668 T669 T672 D690 A691P628-Y654 HydrophobicContact CG-CD1 4.28Å; P628-Y654 HydrophobicContact CG-CE1 3.88Å; W645-Y654 AromaticContact CE2-CG 3.95Å; W645-Y654 HydrophobicContact CZ2-CD2 4.32Å; W645-Y654 HydrophobicContact CZ2-CG 4.05Å; W645-Y654 AromaticContact NE1-CD1 3.47Å; W645-Y654 AromaticContact NE1-CD2 3.54Å; W645-Y654 AromaticContact NE1-CE1 3.85Å; W645-Y654 AromaticContact NE1-CE2 3.93Å; W645-Y654 AromaticContact NE1-CG 3.31Å; W645-Y654 VanDerWaalsContact NE1-CG 3.31Å; P647-Y654 WeakPolarHBondContact CA-OH 3.42Å; G648-Y654 PolarHBondContact N-OH 3.27Å; A651-Y654 HydrophobicContact CB-CE1 3.78Å; Y654-H668 WeakPolarHBondContact O-CA 3.47Å; Y654-H668 PolarHBondContact O-CD2 2.99Å; Y654-T669 PolarHBondContact N-O 3.4Å; Y654-T669 PolarHBondContact O-N 3.27Å; Y654-T672 HydrophobicContact CE2-CG2 4.39Å; Y654-D690 CarbonylContact C-O 3.54Å; Y654-D690 WeakPolarHBondContact CA-O 3.28Å; Y654-A691 HydrophobicContact CD1-CB 4.22Å; Y654-A691 HydrophobicContact CE1-CB 4.21Å
655L89.1Confident83.4Confident46 Ų4647 Ų4724%0.24128%0.283CS..EExtended strand (participates in β ladder)trans-110.7104.2169.1177.566.6000109.4T657 C667 H668 L689 D690L655-T657 HydrophobicContact CG-CG2 4.22Å; L655-C667 CarbonylContact C-O 3.38Å; L655-H668 HydrophobicContact CD1-CB 4.03Å; L655-L689 WeakPolarHBondContact O-CA 3.33Å; L655-D690 HydrophobicContact CB-CB 4.23Å; L655-D690 PolarHBondContact N-O 2.78Å; L655-D690 PolarHBondContact O-N 3.23Å
656A88.1Confident83.3Confident0 Ų051.9 Ų51.90%030%0.304CS..EExtended strand (participates in β ladder)trans-91.6135.3176.800000111L643 W645 K666 C667 M676 L689L643-A656 HydrophobicContact CD2-CB 4.11Å; W645-A656 HydrophobicContact CH2-CB 3.89Å; W645-A656 HydrophobicContact CZ3-CB 4.01Å; A656-K666 CarbonylContact O-C 3.58Å; A656-K666 WeakPolarHBondContact O-CA 3.42Å; A656-C667 PolarHBondContact N-O 3.4Å; A656-C667 PolarHBondContact O-N 3.21Å; A656-M676 HydrophobicContact CB-CE 3.48Å; A656-M676 VanDerWaalsContact CB-CE 3.48Å; A656-M676 WeakPolarHBondContact O-CE 3.37Å; A656-L689 HydrophobicContact CB-CD1 3.61Å
657T87.4Confident83.4Confident4 Ų452.1 Ų52.13%0.02531%0.305CS..EExtended strand (participates in β ladder)trans-135.6127.9178.770.40000111.5L655 A665 K666 Q688L655-T657 HydrophobicContact CG-CG2 4.22Å; T657-A665 CarbonylContact C-O 3.55Å; T657-A665 WeakPolarHBondContact CA-O 3.14Å; T657-K666 HydrophobicContact CG2-CB 4.3Å; T657-K666 HydrophobicContact CG2-CD 3.99Å; T657-K666 HydrophobicContact CG2-CG 3.72Å; T657-Q688 PolarHBondContact N-O 2.74Å; T657-Q688 PolarHBondContact O-N 3.49Å; T657-Q688 WeakPolarHBondContact OG1-CB 3.4Å
658L85.5Confident83.6Confident0 Ų053.7 Ų53.70%030%0.304CS..EExtended strand (participates in β ladder)trans-101.1113.2169.4-79.8176.6000108.6L643 E664 A665 M676 I679 Y685 S686 V687L643-L658 HydrophobicContact CD1-CD1 4.3Å; L643-L658 HydrophobicContact CD1-CD2 3.71Å; L643-L658 HydrophobicContact CD1-CG 3.96Å; L658-E664 CarbonylContact O-C 3.58Å; L658-E664 WeakPolarHBondContact O-CA 3.5Å; L658-A665 HydrophobicContact CB-CB 4.39Å; L658-A665 PolarHBondContact N-O 3.36Å; L658-A665 PolarHBondContact O-N 3.47Å; L658-M676 HydrophobicContact CB-SD 3.9Å; L658-M676 HydrophobicContact CD1-CB 4.2Å; L658-M676 HydrophobicContact CD1-CG 4.39Å; L658-M676 HydrophobicContact CD1-SD 3.5Å; L658-M676 VanDerWaalsContact CD1-SD 3.5Å; L658-M676 HydrophobicContact CG-CE 4.45Å; L658-M676 HydrophobicContact CG-SD 3.55Å; L658-M676 VanDerWaalsContact CG-SD 3.55Å; L658-I679 HydrophobicContact CD1-CG2 4.46Å; L658-Y685 HydrophobicContact CB-CD1 3.88Å; L658-Y685 HydrophobicContact CB-CG 4.46Å; L658-S686 WeakPolarHBondContact CA-O 3.37Å; L658-V687 HydrophobicContact CD2-CG2 3.77Å
659M82.6Confident83.8Confident56 Ų5654.3 Ų54.328%0.27631%0.306SS..EExtended strand (participates in β ladder)trans-106.4130-177.1-63.4176.2-7200110.9Y685 S686 Q688M659-Y685 CarbonylContact O-C 3.55Å; M659-Y685 VanDerWaalsContact O-CA 3.23Å; M659-Y685 WeakPolarHBondContact O-CA 3.3Å; M659-S686 PolarHBondContact N-O 2.99Å; M659-S686 PolarHBondContact O-N 2.82Å; M659-S686 PolarHBondContact O-OG 2.86Å; M659-Q688 HydrophobicContact CE-CB 3.76Å
660S80.6Confident84Confident20 Ų2056.1 Ų56.114%0.1431%0.312CS..EExtended strand (participates in β ladder)trans-136.9162.8171.9760000111.6R662 G663 N684 Y685S660-R662 PolarHBondContact O-N 2.87Å; S660-R662 PolarHBondContact OG-N 3.47Å; S660-G663 PolarHBondContact N-O 2.92Å; S660-G663 PolarHBondContact O-N 3.12Å; S660-G663 VanDerWaalsContact O-O 3.12Å; S660-G663 PolarHBondContact OG-N 3Å; S660-G663 PolarHBondContact OG-O 3.1Å; S660-N684 WeakPolarHBondContact CB-O 3.47Å; S660-Y685 VanDerWaalsContact CB-CE1 3.5Å; S660-Y685 WeakPolarHBondContact OG-CE1 3.43Å
661P73.1Confident84.5Confident136 Ų13658.9 Ų58.988%0.88332%0.317SS*.THydrogen-bonded Turntrans-61.2-10.2172-2334.3000114.8
662R73.4Confident84.7Confident186 Ų18660.3 Ų60.370%0.70232%0.324SS*.THydrogen-bonded Turntrans-103.33.8177.9-58.7-164.6-175.1-1760.6113.7S660S660-R662 PolarHBondContact O-N 2.87Å; S660-R662 PolarHBondContact OG-N 3.47Å
663G77.3Confident84.8Confident42 Ų4261.9 Ų61.943%0.43333%0.325SS..EExtended strand (participates in β ladder)trans131.1170.7-176.900000112.8S660S660-G663 PolarHBondContact N-O 2.92Å; S660-G663 PolarHBondContact O-N 3.12Å; S660-G663 VanDerWaalsContact O-O 3.12Å; S660-G663 PolarHBondContact OG-N 3Å; S660-G663 PolarHBondContact OG-O 3.1Å
664E82.6Confident84.8Confident112 Ų11262.2 Ų62.252%0.52333%0.326SS..EExtended strand (participates in β ladder)trans-113.9148178.652.5169.6-156.100111.6L658 K666L658-E664 CarbonylContact O-C 3.58Å; L658-E664 WeakPolarHBondContact O-CA 3.5Å; E664-K666 WeakPolarHBondContact OE1-CE 3.32Å; E664-K666 IonicContact OE1-NZ 2.77Å; E664-K666 PolarHBondContact OE1-NZ 2.88Å; E664-K666 WeakPolarHBondContact OE2-CE 3.44Å; E664-K666 IonicContact OE2-NZ 2.68Å; E664-K666 PolarHBondContact OE2-NZ 2.7Å
665A84.1Confident84.6Confident20 Ų2066.4 Ų66.417%0.16535%0.349CS..EExtended strand (participates in β ladder)trans-116.2135.1165.700000108.5T657 L658 M676T657-A665 CarbonylContact C-O 3.55Å; T657-A665 WeakPolarHBondContact CA-O 3.14Å; L658-A665 HydrophobicContact CB-CB 4.39Å; L658-A665 PolarHBondContact N-O 3.36Å; L658-A665 PolarHBondContact O-N 3.47Å; A665-M676 HydrophobicContact CB-CB 4.32Å; A665-M676 HydrophobicContact CB-SD 4.08Å
666K87.4Confident84.4Confident117 Ų11764.5 Ų64.551%0.50934%0.339SS..EExtended strand (participates in β ladder)trans-127.1149.9-176.4-62.5-169.5160.7141.50110.8A656 T657 E664A656-K666 CarbonylContact O-C 3.58Å; A656-K666 WeakPolarHBondContact O-CA 3.42Å; T657-K666 HydrophobicContact CG2-CB 4.3Å; T657-K666 HydrophobicContact CG2-CD 3.99Å; T657-K666 HydrophobicContact CG2-CG 3.72Å; E664-K666 WeakPolarHBondContact OE1-CE 3.32Å; E664-K666 IonicContact OE1-NZ 2.77Å; E664-K666 PolarHBondContact OE1-NZ 2.88Å; E664-K666 WeakPolarHBondContact OE2-CE 3.44Å; E664-K666 IonicContact OE2-NZ 2.68Å; E664-K666 PolarHBondContact OE2-NZ 2.7Å
667C89Confident84Confident23 Ų2366.1 Ų66.116%0.15536%0.355CS..EExtended strand (participates in β ladder)trans-149.4127.3175.4-176.30000110.9L655 A656 C674 M676L655-C667 CarbonylContact C-O 3.38Å; A656-C667 PolarHBondContact N-O 3.4Å; A656-C667 PolarHBondContact O-N 3.21Å; C667-C674 HydrophobicContact CB-CB 3.72Å; C667-C674 WeakPolarHBondContact CB-SG 3.45Å; C667-C674 WeakPolarHBondContact SG-CB 3.09Å; C667-C674 CovalentContact SG-SG 2.01Å; C667-C674 PolarHBondContact SG-SG 2.89Å; C667-M676 HydrophobicContact CB-CE 3.91Å
668H88.5Confident83.6Confident129 Ų12972 Ų7260%0.59740%0.395SS*.EExtended strand (participates in β ladder)trans-105.5132.5170.7-173.9-120.3000108.7S653 Y654 L655S653-H668 WeakPolarHBondContact CB-NE2 3.45Å; S653-H668 PolarHBondContact OG-NE2 3.23Å; Y654-H668 WeakPolarHBondContact O-CA 3.47Å; Y654-H668 PolarHBondContact O-CD2 2.99Å; L655-H668 HydrophobicContact CD1-CB 4.03Å
669T87.4Confident83.4Confident22 Ų2272.4 Ų72.414%0.13540%0.398CS..EExtended strand (participates in β ladder)trans-153.5154.9-173.6-178.10000111.4W645 Y654 D671 C674W645-T669 HydrophobicContact CH2-CG2 3.63Å; W645-T669 HydrophobicContact CZ2-CG2 3.56Å; Y654-T669 PolarHBondContact N-O 3.4Å; Y654-T669 PolarHBondContact O-N 3.27Å; T669-D671 VanDerWaalsContact CG2-O 3.23Å; T669-D671 WeakPolarHBondContact CG2-O 3.43Å; T669-D671 PolarHBondContact OG1-N 2.98Å; T669-C674 HydrophobicContact CG2-CB 4.47Å
670L85.1Confident83.1Confident129 Ų12971.9 Ų71.968%0.67540%0.397SS*.SBendtrans-88.8-23.9168.5-56.9178.7000111.2S652S652-L670 WeakPolarHBondContact O-CD2 3.32Å
671D87.4Confident82.9Confident96 Ų9672.4 Ų72.451%0.51340%0.401SS..SBendtrans-80.3162.5178.9-63.7-54000112.1W645 T669 H673W645-D671 WeakPolarHBondContact CZ2-O 3.28Å; T669-D671 VanDerWaalsContact CG2-O 3.23Å; T669-D671 WeakPolarHBondContact CG2-O 3.43Å; T669-D671 PolarHBondContact OG1-N 2.98Å; D671-H673 PolarHBondContact O-N 2.91Å; D671-H673 IonicContact OD2-CE1 3.46Å
672T86.8Confident82.9Confident53 Ų5367.6 Ų67.633%0.32538%0.376SS..SBendtrans-87.226.5177.768.20000113.9W645 P647 Y654W645-T672 PolarHBondContact N-O 2.87Å; W645-T672 VanDerWaalsContact O-CB 3.25Å; W645-T672 WeakPolarHBondContact O-CB 3.39Å; W645-T672 PolarHBondContact O-OG1 2.87Å; P647-T672 HydrophobicContact CB-CG2 4.03Å; Y654-T672 HydrophobicContact CE2-CG2 4.39Å
673H87.4Confident83Confident91 Ų9159.2 Ų59.242%0.42135%0.345SS..EExtended strand (participates in β ladder)trans-148.6153.5176.774.2-67.3000111.7L643 T644 D671L643-H673 CarbonylContact O-C 3.58Å; L643-H673 VanDerWaalsContact O-CA 3.29Å; L643-H673 WeakPolarHBondContact O-CA 3.02Å; T644-H673 HydrophobicContact CG2-CB 3.85Å; D671-H673 PolarHBondContact O-N 2.91Å; D671-H673 IonicContact OD2-CE1 3.46Å
674C88.6Confident83.2Confident15 Ų1562.4 Ų62.410%0.10135%0.352CS..EExtended strand (participates in β ladder)trans-151.3138.4164.1-172.50000113.7L643 W645 C667 T669L643-C674 PolarHBondContact N-O 2.86Å; L643-C674 PolarHBondContact O-N 3.28Å; W645-C674 HydrophobicContact CH2-CB 4.1Å; W645-C674 HydrophobicContact CZ3-CB 4.36Å; C667-C674 HydrophobicContact CB-CB 3.72Å; C667-C674 WeakPolarHBondContact CB-SG 3.45Å; C667-C674 WeakPolarHBondContact SG-CB 3.09Å; C667-C674 CovalentContact SG-SG 2.01Å; C667-C674 PolarHBondContact SG-SG 2.89Å; T669-C674 HydrophobicContact CG2-CB 4.47Å
675L85.8Confident83.2Confident98 Ų9857.7 Ų57.751%0.51333%0.33SS..EExtended strand (participates in β ladder)trans-93112.8174.8-158.8153.9000109.9M640 T641M640-L675 HydrophobicContact CB-CD2 4.27Å; M640-L675 HydrophobicContact SD-CD2 4.09Å; T641-L675 CarbonylContact O-C 3.59Å; T641-L675 WeakPolarHBondContact O-CA 3.45Å
676M85.2Confident83.2Confident6 Ų659.2 Ų59.23%0.0334%0.34CS..EExtended strand (participates in β ladder)trans-101.1124.3-179.4-61.6-169.4-172.400110.8M640 T641 A656 L658 A665 C667M640-M676 WeakPolarHBondContact CA-O 3.49Å; T641-M676 PolarHBondContact N-O 3.1Å; T641-M676 PolarHBondContact O-N 3.24Å; A656-M676 HydrophobicContact CB-CE 3.48Å; A656-M676 VanDerWaalsContact CB-CE 3.48Å; A656-M676 WeakPolarHBondContact O-CE 3.37Å; L658-M676 HydrophobicContact CB-SD 3.9Å; L658-M676 HydrophobicContact CD1-CB 4.2Å; L658-M676 HydrophobicContact CD1-CG 4.39Å; L658-M676 HydrophobicContact CD1-SD 3.5Å; L658-M676 VanDerWaalsContact CD1-SD 3.5Å; L658-M676 HydrophobicContact CG-CE 4.45Å; L658-M676 HydrophobicContact CG-SD 3.55Å; L658-M676 VanDerWaalsContact CG-SD 3.55Å; A665-M676 HydrophobicContact CB-CB 4.32Å; A665-M676 HydrophobicContact CB-SD 4.08Å; C667-M676 HydrophobicContact CB-CE 3.91Å
677G79.7Confident83Confident33 Ų3353.8 Ų53.834%0.3432%0.316SS..EExtended strand (participates in β ladder)trans-96.6178.7176.900000113.9A639 I679A639-G677 CarbonylContact O-C 3.56Å; G677-I679 PolarHBondContact O-N 2.94Å
678C77.9Confident82.9Confident128 Ų12853.8 Ų53.887%0.86531%0.314SS*.  trans59.322.3176.4-59.80000115.6A639A639-C678 PolarHBondContact O-N 2.9Å
679I81.1Confident82.9Confident9 Ų947.6 Ų47.65%0.04629%0.285CS..PPolyproline II helixtrans-68.8154.6171.363.4150.7000111.2A639 T641 L658 G677 Y685A639-I679 WeakPolarHBondContact CA-O 3.44Å; A639-I679 PolarHBondContact O-N 3.01Å; T641-I679 HydrophobicContact CG2-CD1 3.57Å; L658-I679 HydrophobicContact CD1-CG2 4.46Å; G677-I679 PolarHBondContact O-N 2.94Å; I679-Y685 WeakPolarHBondContact CA-OH 3.43Å; I679-Y685 HydrophobicContact CB-CE2 4.09Å; I679-Y685 HydrophobicContact CG2-CE1 4.35Å; I679-Y685 HydrophobicContact CG2-CE2 4.36Å
680T77.1Confident82.9Confident44 Ų4446.7 Ų46.727%0.2728%0.28SS..PPolyproline II helixtrans-92.5140.6176.250.60000110.1T683 Y685 S708T680-T683 PolarHBondContact O-OG1 2.6Å; T680-T683 VanDerWaalsContact OG1-CG2 3.28Å; T680-T683 WeakPolarHBondContact OG1-CG2 3.46Å; T680-T683 PolarHBondContact OG1-OG1 3.14Å; T680-Y685 PolarHBondContact N-OH 2.97Å; T680-Y685 PolarHBondContact OG1-OH 2.93Å; T680-Y685 VanDerWaalsContact OG1-OH 3.05Å; T680-S708 WeakPolarHBondContact O-CB 3.48Å; T680-S708 PolarHBondContact O-OG 2.66Å
681C76.1Confident83Confident32 Ų3240.6 Ų40.622%0.21625%0.247CC..THydrogen-bonded Turntrans-77.5142.8174.252.40000111.2S708 S709 C711C681-S708 WeakPolarHBondContact CA-OG 3.39Å; C681-S709 CarbonylContact C-O 3.56Å; C681-S709 WeakPolarHBondContact CB-O 3.35Å; C681-C711 HydrophobicContact CB-CB 4.08Å; C681-C711 WeakPolarHBondContact CB-SG 3.35Å; C681-C711 WeakPolarHBondContact SG-CB 3.32Å; C681-C711 CovalentContact SG-SG 2.04Å; C681-C711 PolarHBondContact SG-SG 3.01Å
682G72.3Confident82.9Confident34 Ų3437.8 Ų37.835%0.35123%0.232SC..THydrogen-bonded Turntrans71.333.7-178.300000115S708 S709G682-S708 WeakPolarHBondContact CA-O 3.22Å; G682-S708 PolarHBondContact N-O 3.4Å; G682-S708 PolarHBondContact N-OG 3.37Å; G682-S709 PolarHBondContact N-O 2.85Å
683T77.1Confident82.8Confident11 Ų1135.5 Ų35.57%0.06722%0.218CC..  trans-132.7152.9-179.357.20000112.8T680 Y685 S708T680-T683 PolarHBondContact O-OG1 2.6Å; T680-T683 VanDerWaalsContact OG1-CG2 3.28Å; T680-T683 WeakPolarHBondContact OG1-CG2 3.46Å; T680-T683 PolarHBondContact OG1-OG1 3.14Å; T683-Y685 WeakPolarHBondContact OG1-CE2 3.4Å; T683-S708 PolarHBondContact N-OG 2.89Å; T683-S708 PolarHBondContact O-N 2.99Å; T683-S708 PolarHBondContact O-OG 3.06Å
684N81.1Confident82.4Confident109 Ų10936.2 Ų36.258%0.58323%0.234SC*.EExtended strand (participates in β ladder)trans-99.6132.1-179.5-59.44.9000109.6S660 F706 S707S660-N684 WeakPolarHBondContact CB-O 3.47Å; N684-F706 CarbonylContact C-O 3.58Å; N684-F706 WeakPolarHBondContact CA-O 3.31Å; N684-S707 PolarHBondContact OD1-OG 2.8Å
685Y81.6Confident81.8Confident12 Ų1239.8 Ų39.85%0.04726%0.255CS..EExtended strand (participates in β ladder)trans-116.3138.3176.9-69.6-94.2000109.8L658 M659 S660 I679 T680 T683 G705 F706L658-Y685 HydrophobicContact CB-CD1 3.88Å; L658-Y685 HydrophobicContact CB-CG 4.46Å; M659-Y685 CarbonylContact O-C 3.55Å; M659-Y685 VanDerWaalsContact O-CA 3.23Å; M659-Y685 WeakPolarHBondContact O-CA 3.3Å; S660-Y685 VanDerWaalsContact CB-CE1 3.5Å; S660-Y685 WeakPolarHBondContact OG-CE1 3.43Å; I679-Y685 WeakPolarHBondContact CA-OH 3.43Å; I679-Y685 HydrophobicContact CB-CE2 4.09Å; I679-Y685 HydrophobicContact CG2-CE1 4.35Å; I679-Y685 HydrophobicContact CG2-CE2 4.36Å; T680-Y685 PolarHBondContact N-OH 2.97Å; T680-Y685 PolarHBondContact OG1-OH 2.93Å; T680-Y685 VanDerWaalsContact OG1-OH 3.05Å; T683-Y685 WeakPolarHBondContact OG1-CE2 3.4Å; Y685-G705 CarbonylContact O-C 3.53Å; Y685-G705 WeakPolarHBondContact O-CA 3.27Å; Y685-F706 HydrophobicContact CD2-CD1 4.36Å; Y685-F706 PolarHBondContact N-O 2.99Å; Y685-F706 PolarHBondContact O-N 2.78Å
686S83.6Confident81.3Confident53 Ų5337.5 Ų37.537%0.37126%0.255SS..EExtended strand (participates in β ladder)trans-90.8150.4162.253.40000110.4L658 M659L658-S686 WeakPolarHBondContact CA-O 3.37Å; M659-S686 PolarHBondContact N-O 2.99Å; M659-S686 PolarHBondContact O-N 2.82Å; M659-S686 PolarHBondContact O-OG 2.86Å
687V85.2Confident81Confident3 Ų340.5 Ų40.52%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-108.1124.2180-173.50000109V631 V633 L643 L658 Y703V631-V687 HydrophobicContact CG1-CG1 4.17Å; V633-V687 HydrophobicContact CG2-CG2 3.85Å; L643-V687 HydrophobicContact CD1-CG1 3.82Å; L643-V687 HydrophobicContact CD1-CG2 4.06Å; L643-V687 HydrophobicContact CD2-CG1 3.92Å; L643-V687 HydrophobicContact CG-CG1 4.41Å; L658-V687 HydrophobicContact CD2-CG2 3.77Å; V687-Y703 HydrophobicContact CG1-CD2 4.47Å; V687-Y703 PolarHBondContact O-N 3.48Å
688Q86.1Confident81Confident22 Ų2244.3 Ų44.310%0.10328%0.276CS..EExtended strand (participates in β ladder)trans-116145.4163.8159.6177.6-19.900109.2T657 M659 D690 Q700 C701 Q702T657-Q688 PolarHBondContact N-O 2.74Å; T657-Q688 PolarHBondContact O-N 3.49Å; T657-Q688 WeakPolarHBondContact OG1-CB 3.4Å; M659-Q688 HydrophobicContact CE-CB 3.76Å; Q688-D690 PolarHBondContact NE2-OD1 2.83Å; Q688-D690 PolarHBondContact NE2-OD2 3.06Å; Q688-Q700 HydrophobicContact CG-CG 4.44Å; Q688-Q700 VanDerWaalsContact NE2-CD 3.33Å; Q688-C701 CarbonylContact C-O 3.59Å; Q688-C701 WeakPolarHBondContact CA-O 3.38Å; Q688-Q702 HydrophobicContact CB-CG 4.44Å
689L87.9Confident81.3Confident0 Ų039.7 Ų39.70%025%0.245CC..EExtended strand (participates in β ladder)trans-137.8121.4177-170.663.1000107.9P628 V631 W645 L655 A656 C701 Y703P628-L689 HydrophobicContact CB-CD2 4.01Å; P628-L689 HydrophobicContact CG-CD2 3.68Å; V631-L689 HydrophobicContact CG2-CD2 4.27Å; W645-L689 HydrophobicContact CB-CD2 3.97Å; W645-L689 HydrophobicContact CD2-CD1 4.13Å; W645-L689 HydrophobicContact CD2-CD2 3.82Å; W645-L689 HydrophobicContact CE3-CD1 4.35Å; W645-L689 HydrophobicContact CE3-CD2 4.44Å; W645-L689 HydrophobicContact CG-CD2 3.6Å; W645-L689 HydrophobicContact CH2-CD1 4.25Å; W645-L689 HydrophobicContact CZ2-CD1 4.02Å; W645-L689 HydrophobicContact CZ3-CD1 4.4Å; L655-L689 WeakPolarHBondContact O-CA 3.33Å; A656-L689 HydrophobicContact CB-CD1 3.61Å; L689-C701 PolarHBondContact N-O 2.66Å; L689-C701 WeakPolarHBondContact O-CA 3.14Å; L689-C701 VanDerWaalsContact O-CB 3.23Å; L689-C701 WeakPolarHBondContact O-CB 3.41Å; L689-C701 PolarHBondContact O-N 3.02Å; L689-C701 PolarHBondContact O-SG 3.15Å; L689-Y703 HydrophobicContact CB-CD2 4.47Å; L689-Y703 HydrophobicContact CB-CE2 3.8Å; L689-Y703 HydrophobicContact CD2-CE2 4.46Å
690D87.5Confident81.4Confident3 Ų344.6 Ų44.62%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-102.3122.7174.1-52-32.1000109.2Y654 L655 Q688 K698 S699 Q700Y654-D690 CarbonylContact C-O 3.54Å; Y654-D690 WeakPolarHBondContact CA-O 3.28Å; L655-D690 HydrophobicContact CB-CB 4.23Å; L655-D690 PolarHBondContact N-O 2.78Å; L655-D690 PolarHBondContact O-N 3.23Å; Q688-D690 PolarHBondContact NE2-OD1 2.83Å; Q688-D690 PolarHBondContact NE2-OD2 3.06Å; D690-K698 HydrophobicContact CB-CD 4.46Å; D690-K698 HydrophobicContact CB-CG 4.32Å; D690-K698 WeakPolarHBondContact OD2-CE 3.18Å; D690-K698 IonicContact OD2-NZ 2.76Å; D690-K698 PolarHBondContact OD2-NZ 2.91Å; D690-S699 CarbonylContact C-O 3.54Å; D690-S699 WeakPolarHBondContact CA-O 3.4Å; D690-Q700 WeakPolarHBondContact OD1-CB 3.47Å; D690-Q700 VanDerWaalsContact OD1-CG 3.32Å; D690-Q700 WeakPolarHBondContact OD1-CG 3.35Å
691A87.1Confident81.8Confident0 Ų042.8 Ų42.80%026%0.257CS..EExtended strand (participates in β ladder)trans-92.7134171.900000109.7P625 A651 Y654 K698 S699P625-A691 HydrophobicContact CB-CB 4.38Å; P625-A691 HydrophobicContact CG-CB 4.3Å; P625-A691 WeakPolarHBondContact CG-O 3.22Å; A651-A691 HydrophobicContact CB-CB 3.93Å; Y654-A691 HydrophobicContact CD1-CB 4.22Å; Y654-A691 HydrophobicContact CE1-CB 4.21Å; A691-K698 WeakPolarHBondContact O-CA 3.44Å; A691-S699 PolarHBondContact N-O 2.82Å; A691-S699 PolarHBondContact O-N 3.08Å
692I86Confident82Confident38 Ų3848.2 Ų48.220%0.19528%0.279CS..EExtended strand (participates in β ladder)trans-126.5132.3-174-54.6171.6000108.8A651 S652 S653 H697 K698A651-I692 CarbonylContact C-O 3.56Å; S652-I692 PolarHBondContact N-O 2.78Å; S652-I692 PolarHBondContact OG-O 3.47Å; S652-I692 VanDerWaalsContact OG-O 3.09Å; S653-I692 PolarHBondContact N-O 3.24Å; S653-I692 PolarHBondContact O-N 2.85Å; I692-H697 CarbonylContact C-O 3.56Å; I692-H697 WeakPolarHBondContact CA-O 3.43Å; I692-K698 HydrophobicContact CG1-CG 4.26Å
693S84Confident82.4Confident4 Ų449.1 Ų49.13%0.02827%0.272CS..  trans-86.6171.1176.584.40000112.8E622 G650 S652 T695 G696 H697E622-S693 WeakPolarHBondContact OE1-CB 3.42Å; E622-S693 PolarHBondContact OE1-OG 2.63Å; G650-S693 WeakPolarHBondContact O-CA 3.36Å; G650-S693 VanDerWaalsContact O-CB 3.25Å; G650-S693 WeakPolarHBondContact O-CB 3.38Å; S652-S693 VanDerWaalsContact OG-C 3.24Å; S652-S693 PolarHBondContact OG-O 3.2Å; S693-T695 PolarHBondContact O-N 2.89Å; S693-T695 PolarHBondContact OG-N 3.02Å; S693-T695 PolarHBondContact OG-OG1 2.96Å; S693-G696 PolarHBondContact O-N 2.67Å; S693-G696 VanDerWaalsContact O-N 3.08Å; S693-H697 PolarHBondContact N-O 2.83Å; S693-H697 PolarHBondContact OG-N 2.82Å
694S78.6Confident82.1Confident107 Ų10760 Ų6075%0.74831%0.312SS*.THydrogen-bonded Turntrans-61.1-24.717840.70000114.7S652S652-S694 PolarHBondContact OG-N 2.91Å
695T77.6Confident81.6Confident89 Ų8957.5 Ų57.555%0.54631%0.312SS..THydrogen-bonded Turntrans-96.31.317752.80000113.1E622 S693E622-T695 PolarHBondContact OE1-OG1 3.41Å; E622-T695 WeakPolarHBondContact OE2-CB 3.4Å; E622-T695 WeakPolarHBondContact OE2-CG2 3.27Å; E622-T695 PolarHBondContact OE2-OG1 2.91Å; S693-T695 PolarHBondContact O-N 2.89Å; S693-T695 PolarHBondContact OG-N 3.02Å; S693-T695 PolarHBondContact OG-OG1 2.96Å
696G74.1Confident81.4Confident50 Ų5058.3 Ų58.352%0.51532%0.316SS..  trans92.25.6175.700000115.3S693 K698S693-G696 PolarHBondContact O-N 2.67Å; S693-G696 VanDerWaalsContact O-N 3.08Å; G696-K698 PolarHBondContact O-N 2.87Å
697H79.7Confident81Confident70 Ų7059.2 Ų59.232%0.32432%0.323SS..  trans-63134.1169.5-77.3-86.2000110.2P625 I692 S693P625-H697 WeakPolarHBondContact CD-O 3.35Å; P625-H697 WeakPolarHBondContact CG-O 3.47Å; I692-H697 CarbonylContact C-O 3.56Å; I692-H697 WeakPolarHBondContact CA-O 3.43Å; S693-H697 PolarHBondContact N-O 2.83Å; S693-H697 PolarHBondContact OG-N 2.82Å
698K79.7Confident80.5Confident113 Ų11359.6 Ų59.649%0.49133%0.325SS..EExtended strand (participates in β ladder)trans-122.4127.3-172.1-176.6-175.8-177.4-170.50111.3D690 A691 I692 G696D690-K698 HydrophobicContact CB-CD 4.46Å; D690-K698 HydrophobicContact CB-CG 4.32Å; D690-K698 WeakPolarHBondContact OD2-CE 3.18Å; D690-K698 IonicContact OD2-NZ 2.76Å; D690-K698 PolarHBondContact OD2-NZ 2.91Å; A691-K698 WeakPolarHBondContact O-CA 3.44Å; I692-K698 HydrophobicContact CG1-CG 4.26Å; G696-K698 PolarHBondContact O-N 2.87Å
699S84.2Confident80Confident30 Ų3059.9 Ų59.921%0.2133%0.33CS..EExtended strand (participates in β ladder)trans-114.2118.6172.7-66.10000110.2P625 D690 A691P625-S699 WeakPolarHBondContact O-CB 3.38Å; P625-S699 PolarHBondContact O-OG 2.85Å; D690-S699 CarbonylContact C-O 3.54Å; D690-S699 WeakPolarHBondContact CA-O 3.4Å; A691-S699 PolarHBondContact N-O 2.82Å; A691-S699 PolarHBondContact O-N 3.08Å
700Q83.4Confident79.3Confident112 Ų11260.1 Ų60.152%0.52333%0.332SS..EExtended strand (participates in β ladder)trans-97.3123.9-176.6171.7168.9-4.600110.8Q688 D690Q688-Q700 HydrophobicContact CG-CG 4.44Å; Q688-Q700 VanDerWaalsContact NE2-CD 3.33Å; D690-Q700 WeakPolarHBondContact OD1-CB 3.47Å; D690-Q700 VanDerWaalsContact OD1-CG 3.32Å; D690-Q700 WeakPolarHBondContact OD1-CG 3.35Å
701C84.3Confident78.9Confident7 Ų761.4 Ų61.45%0.04734%0.341CS..EExtended strand (participates in β ladder)trans-123.7133.3-171.6-38.90000109.8C627 Q688 L689 Y703C627-C701 WeakPolarHBondContact CA-SG 3.24Å; C627-C701 HydrophobicContact CB-CB 3.91Å; C627-C701 WeakPolarHBondContact CB-SG 3.46Å; C627-C701 WeakPolarHBondContact SG-CB 3.3Å; C627-C701 CovalentContact SG-SG 2.03Å; C627-C701 PolarHBondContact SG-SG 2.96Å; Q688-C701 CarbonylContact C-O 3.59Å; Q688-C701 WeakPolarHBondContact CA-O 3.38Å; L689-C701 PolarHBondContact N-O 2.66Å; L689-C701 WeakPolarHBondContact O-CA 3.14Å; L689-C701 VanDerWaalsContact O-CB 3.23Å; L689-C701 WeakPolarHBondContact O-CB 3.41Å; L689-C701 PolarHBondContact O-N 3.02Å; L689-C701 PolarHBondContact O-SG 3.15Å; C701-Y703 HydrophobicContact CB-CE2 3.6Å; C701-Y703 WeakPolarHBondContact CB-OH 3.34Å
702Q80.6Confident78.4Confident145 Ų14562.5 Ų62.568%0.67835%0.348SS*.EExtended strand (participates in β ladder)trans-117.5135.1179.1-69.6-175-10.800111.1Q688Q688-Q702 HydrophobicContact CB-CG 4.44Å
703Y80.7Confident78.1Confident53 Ų5361.6 Ų61.621%0.20834%0.344CS..EExtended strand (participates in β ladder)trans-124.7160.6-176.5-52.8-97.1000111.6P628 V631 V687 L689 C701P628-Y703 PolarHBondContact O-OH 3.1Å; V631-Y703 HydrophobicContact CB-CD1 4.05Å; V631-Y703 HydrophobicContact CB-CE1 4.34Å; V631-Y703 HydrophobicContact CB-CG 4.15Å; V631-Y703 HydrophobicContact CG2-CD1 3.61Å; V631-Y703 HydrophobicContact CG2-CD2 3.86Å; V631-Y703 HydrophobicContact CG2-CE1 3.44Å; V631-Y703 VanDerWaalsContact CG2-CE1 3.44Å; V631-Y703 HydrophobicContact CG2-CE2 3.73Å; V631-Y703 HydrophobicContact CG2-CG 3.82Å; V687-Y703 HydrophobicContact CG1-CD2 4.47Å; V687-Y703 PolarHBondContact O-N 3.48Å; L689-Y703 HydrophobicContact CB-CD2 4.47Å; L689-Y703 HydrophobicContact CB-CE2 3.8Å; L689-Y703 HydrophobicContact CD2-CE2 4.46Å; C701-Y703 HydrophobicContact CB-CE2 3.6Å; C701-Y703 WeakPolarHBondContact CB-OH 3.34Å
704R71.9Confident77.8Confident240 Ų24065.7 Ų65.791%0.90637%0.369SS*.EExtended strand (participates in β ladder)trans-62148.4-175.8-67.3-171.9179.3-159.60.8112
705G69.5Low77.6Confident57 Ų5762.7 Ų62.759%0.58836%0.355SS*.EExtended strand (participates in β ladder)trans-69.9145-171.800000115.1Y685Y685-G705 CarbonylContact O-C 3.53Å; Y685-G705 WeakPolarHBondContact O-CA 3.27Å
706F77Confident77.7Confident29 Ų2959.5 Ų59.513%0.12734%0.336CS..EExtended strand (participates in β ladder)trans-99.3138.9173.6162.3-94.5000110V633 Q635 T641 N684 Y685V633-F706 HydrophobicContact CB-CB 4.08Å; V633-F706 HydrophobicContact CB-CD2 3.75Å; V633-F706 HydrophobicContact CB-CE2 4.47Å; V633-F706 HydrophobicContact CB-CG 3.99Å; V633-F706 HydrophobicContact CG1-CB 4.01Å; V633-F706 HydrophobicContact CG1-CD1 4Å; V633-F706 HydrophobicContact CG1-CD2 3.54Å; V633-F706 HydrophobicContact CG1-CE1 4.42Å; V633-F706 HydrophobicContact CG1-CE2 3.99Å; V633-F706 HydrophobicContact CG1-CG 3.55Å; V633-F706 HydrophobicContact CG1-CZ 4.42Å; V633-F706 HydrophobicContact CG2-CB 4.25Å; Q635-F706 HydrophobicContact CB-CE2 4.47Å; Q635-F706 HydrophobicContact CB-CZ 4.01Å; Q635-F706 HydrophobicContact CG-CZ 4.41Å; T641-F706 HydrophobicContact CG2-CD1 4.35Å; T641-F706 HydrophobicContact CG2-CE1 3.51Å; T641-F706 HydrophobicContact CG2-CE2 4.37Å; T641-F706 HydrophobicContact CG2-CZ 3.52Å; N684-F706 CarbonylContact C-O 3.58Å; N684-F706 WeakPolarHBondContact CA-O 3.31Å; Y685-F706 HydrophobicContact CD2-CD1 4.36Å; Y685-F706 PolarHBondContact N-O 2.99Å; Y685-F706 PolarHBondContact O-N 2.78Å
707S75.6Confident77.8Confident72 Ų7262 Ų6250%0.50333%0.332SS..EExtended strand (participates in β ladder)trans-114122.6178-54.80000110.2N684N684-S707 PolarHBondContact OD1-OG 2.8Å
708S76Confident77.7Confident10 Ų1059.7 Ų59.77%0.0732%0.323CS..PPolyproline II helixtrans-77.2149.2179.771.30000112.5T680 C681 G682 T683T680-S708 WeakPolarHBondContact O-CB 3.48Å; T680-S708 PolarHBondContact O-OG 2.66Å; C681-S708 WeakPolarHBondContact CA-OG 3.39Å; G682-S708 WeakPolarHBondContact CA-O 3.22Å; G682-S708 PolarHBondContact N-O 3.4Å; G682-S708 PolarHBondContact N-OG 3.37Å; T683-S708 PolarHBondContact N-OG 2.89Å; T683-S708 PolarHBondContact O-N 2.99Å; T683-S708 PolarHBondContact O-OG 3.06Å
709S73.8Confident77.5Confident29 Ų2959.7 Ų59.720%0.20332%0.32CS..PPolyproline II helixtrans-62.6161.2-176.873.50000113.8Q635 C681 G682 F789Q635-S709 PolarHBondContact NE2-OG 3.26Å; Q635-S709 PolarHBondContact OE1-OG 2.93Å; C681-S709 CarbonylContact C-O 3.56Å; C681-S709 WeakPolarHBondContact CB-O 3.35Å; G682-S709 PolarHBondContact N-O 2.85Å; S709-F789 WeakPolarHBondContact OG-CZ 3.36Å
710A73.7Confident76.8Confident5 Ų562.1 Ų62.14%0.04133%0.325CS..PPolyproline II helixtrans-56.1148.7171.200000113.3Y738 P779A710-Y738 HydrophobicContact CB-CD1 3.75Å; A710-Y738 HydrophobicContact CB-CD2 3.79Å; A710-Y738 HydrophobicContact CB-CE1 3.64Å; A710-Y738 HydrophobicContact CB-CE2 3.67Å; A710-Y738 HydrophobicContact CB-CG 3.84Å; A710-P779 HydrophobicContact CB-CB 3.88Å; A710-P779 HydrophobicContact CB-CG 3.82Å
711C79.3Confident76.3Confident30 Ų3062 Ų6220%0.20332%0.319CS..PPolyproline II helixtrans-78.8139.5177.9-51.50000112C681C681-C711 HydrophobicContact CB-CB 4.08Å; C681-C711 WeakPolarHBondContact CB-SG 3.35Å; C681-C711 WeakPolarHBondContact SG-CB 3.32Å; C681-C711 CovalentContact SG-SG 2.04Å; C681-C711 PolarHBondContact SG-SG 3.01Å
712C77.4Confident75.3Confident22 Ų2268.9 Ų68.915%0.14936%0.362CS..PPolyproline II helixtrans-69137.9179-69.90000113.2C790C712-C790 HydrophobicContact CB-CB 3.91Å; C712-C790 WeakPolarHBondContact CB-SG 3.3Å; C712-C790 WeakPolarHBondContact SG-CA 3.41Å; C712-C790 WeakPolarHBondContact SG-CB 3.41Å; C712-C790 CovalentContact SG-SG 2.05Å; C712-C790 PolarHBondContact SG-SG 3.37Å
713P78.5Confident74.6Confident19 Ų1966.2 Ų66.212%0.12335%0.352CS..PPolyproline II helixtrans-58155.5173.6-28.835.4000115.2W730 H740 V777P713-W730 HydrophobicContact CB-CB 4.25Å; P713-W730 HydrophobicContact CB-CG 4.22Å; P713-H740 VanDerWaalsContact CG-CD2 3.46Å; P713-H740 WeakPolarHBondContact CG-CD2 3.27Å; P713-V777 HydrophobicContact CB-CB 4.47Å; P713-V777 HydrophobicContact CB-CG1 4.22Å; P713-V777 HydrophobicContact CG-CB 4.48Å; P713-V777 HydrophobicContact CG-CG1 3.93Å
714T78Confident73.9Confident90 Ų9067.7 Ų67.755%0.55236%0.363SS*.EExtended strand (participates in β ladder)trans-124169.5179.964.70000111.3V716 R731T714-V716 VanDerWaalsContact C-N 3.29Å; T714-V716 PolarHBondContact O-N 2.9Å; T714-R731 PolarHBondContact N-O 2.87Å; T714-R731 PolarHBondContact O-N 2.86Å; T714-R731 PolarHBondContact OG1-O 2.92Å
715G74.6Confident73.9Confident44 Ų4456.4 Ų56.445%0.45432%0.321SS..EExtended strand (participates in β ladder)trans64.524.3169.800000116.4
716V79.7Confident74.3Confident22 Ų2253.8 Ų53.813%0.13329%0.294CS..EExtended strand (participates in β ladder)trans-54.8138.5179.6-173.50000111.6T714 V728 Y729 W730 V775 V777 R793 Y795T714-V716 VanDerWaalsContact C-N 3.29Å; T714-V716 PolarHBondContact O-N 2.9Å; V716-V728 HydrophobicContact CG1-CG1 4Å; V716-Y729 CarbonylContact C-O 3.54Å; V716-Y729 VanDerWaalsContact CA-O 3.23Å; V716-Y729 WeakPolarHBondContact CA-O 3.5Å; V716-W730 HydrophobicContact CG2-CB 4.08Å; V716-V775 HydrophobicContact CG1-CB 4.42Å; V716-V775 HydrophobicContact CG1-CG1 3.84Å; V716-V777 HydrophobicContact CG1-CG2 3.85Å; V716-V777 HydrophobicContact CG2-CB 4.26Å; V716-V777 HydrophobicContact CG2-CG2 3.83Å; V716-R793 HydrophobicContact CB-CG 4.42Å; V716-Y795 PolarHBondContact O-OH 3.16Å
717K76.8Confident74.5Confident102 Ų10255.3 Ų55.344%0.44330%0.298SS..EExtended strand (participates in β ladder)trans-144.9154176.6-66.2-175.7-179.5-175.20110.9Y719 V728 Y729K717-Y719 HydrophobicContact CB-CD2 4.48Å; K717-Y719 HydrophobicContact CB-CE2 3.78Å; K717-Y719 HydrophobicContact CD-CE2 4.33Å; K717-Y719 WeakPolarHBondContact CD-OH 3.27Å; K717-V728 CarbonylContact O-C 3.56Å; K717-V728 WeakPolarHBondContact O-CA 3.38Å; K717-Y729 PolarHBondContact N-O 3.29Å; K717-Y729 PolarHBondContact O-N 2.88Å
718L77.9Confident74.8Confident23 Ų2351.9 Ų51.912%0.1227%0.274CS..EExtended strand (participates in β ladder)trans-118.5136174.3-175.267.7000109.8L726 V728 L744 Y773 Y795 V797L718-L726 HydrophobicContact CD1-CB 4.21Å; L718-V728 HydrophobicContact CD1-CG2 3.8Å; L718-L744 HydrophobicContact CD1-CD1 4.16Å; L718-L744 HydrophobicContact CD1-CD2 4.22Å; L718-Y773 HydrophobicContact CD2-CD2 4.38Å; L718-Y795 HydrophobicContact CB-CD1 4.18Å; L718-Y795 HydrophobicContact CB-CD2 4.05Å; L718-Y795 HydrophobicContact CB-CG 3.83Å; L718-Y795 HydrophobicContact CD2-CG 4.45Å; L718-V797 HydrophobicContact CD2-CG2 3.85Å
719Y74.3Confident75Confident112 Ų11254.9 Ų54.944%0.43929%0.285SS..EExtended strand (participates in β ladder)trans-132.1152.1179.8-60.9-79000110.5K717 L726 R727K717-Y719 HydrophobicContact CB-CD2 4.48Å; K717-Y719 HydrophobicContact CB-CE2 3.78Å; K717-Y719 HydrophobicContact CD-CE2 4.33Å; K717-Y719 WeakPolarHBondContact CD-OH 3.27Å; Y719-L726 CarbonylContact O-C 3.6Å; Y719-L726 WeakPolarHBondContact O-CA 3.45Å; Y719-R727 PolarHBondContact N-O 2.84Å; Y719-R727 PolarHBondContact O-N 2.75Å
720R69.6Low75.5Confident81 Ų8153.5 Ų53.531%0.30628%0.275SS..EExtended strand (participates in β ladder)trans-106.3138.6171.1-171.2178.6-179.7-166.2-1.6109.9N724 L726 C769 V797 P798R720-N724 PolarHBondContact NH2-OD1 2.96Å; R720-L726 HydrophobicContact CB-CD2 4.09Å; R720-L726 HydrophobicContact CG-CD2 4.27Å; R720-C769 VanDerWaalsContact NH1-CB 3.31Å; R720-V797 HydrophobicContact CB-CG1 4.39Å; R720-V797 HydrophobicContact CG-CG1 4.49Å; R720-P798 PolarHBondContact NH1-O 3.25Å
721R73.1Confident75.7Confident110 Ų11060.8 Ų60.842%0.41530%0.302SS..  trans-103.2163.6177-64.4-173.370.2-167.3-5.7111.3N723 N724 S725 D763R721-N723 WeakPolarHBondContact CB-OD1 3.41Å; R721-N723 PolarHBondContact O-N 3.03Å; R721-N724 PolarHBondContact O-N 3.36Å; R721-S725 PolarHBondContact N-O 2.96Å; R721-D763 IonicContact CZ-OD2 2.88Å; R721-D763 IonicContact NH1-OD2 3.53Å; R721-D763 PolarHBondContact NH1-OD2 3.33Å
722T63.8Low75.4Confident152 Ų15260.3 Ų60.393%0.93330%0.298SS*.THydrogen-bonded Turntrans-64.3-20.7-176.646.90000114.5N724T722-N724 VanDerWaalsContact C-N 3.34Å; T722-N724 PolarHBondContact O-N 3.4Å
723N64.7Low74.9Confident88 Ų8863.5 Ų63.547%0.47132%0.321SS..THydrogen-bonded Turntrans-94.328.7178.766.7-35.2000113.2R721 S725R721-N723 WeakPolarHBondContact CB-OD1 3.41Å; R721-N723 PolarHBondContact O-N 3.03Å; N723-S725 PolarHBondContact O-N 2.83Å; N723-S725 VanDerWaalsContact O-N 3.1Å; N723-S725 PolarHBondContact OD1-OG 3.22Å
724N66.3Low74.3Confident85 Ų8565.1 Ų65.146%0.45533%0.333SS..SBendtrans60.716.2-178-128.524.8000115.7R720 R721 T722 G767R720-N724 PolarHBondContact NH2-OD1 2.96Å; R721-N724 PolarHBondContact O-N 3.36Å; T722-N724 VanDerWaalsContact C-N 3.34Å; T722-N724 PolarHBondContact O-N 3.4Å; N724-G767 PolarHBondContact O-N 2.92Å
725S73.1Confident73.3Confident2 Ų262.8 Ų62.81%0.01432%0.319CS..  trans-95153.7177.9101.40000112.2R721 N723 I764R721-S725 PolarHBondContact N-O 2.96Å; N723-S725 PolarHBondContact O-N 2.83Å; N723-S725 VanDerWaalsContact O-N 3.1Å; N723-S725 PolarHBondContact OD1-OG 3.22Å; S725-I764 CarbonylContact C-O 3.52Å; S725-I764 VanDerWaalsContact CA-O 3.27Å; S725-I764 WeakPolarHBondContact CA-O 3.46Å; S725-I764 VanDerWaalsContact CB-O 3.25Å; S725-I764 WeakPolarHBondContact CB-O 3.31Å
726L76.8Confident72.6Confident2 Ų269 Ų691%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-103.3140.1172.4-68.7174.2000110.3L718 Y719 R720 L744 D763 I764 Y773 V797L718-L726 HydrophobicContact CD1-CB 4.21Å; Y719-L726 CarbonylContact O-C 3.6Å; Y719-L726 WeakPolarHBondContact O-CA 3.45Å; R720-L726 HydrophobicContact CB-CD2 4.09Å; R720-L726 HydrophobicContact CG-CD2 4.27Å; L726-L744 HydrophobicContact CD1-CD2 3.92Å; L726-D763 CarbonylContact O-C 3.54Å; L726-D763 WeakPolarHBondContact O-CA 3.11Å; L726-I764 PolarHBondContact N-O 2.88Å; L726-I764 PolarHBondContact O-N 2.79Å; L726-Y773 HydrophobicContact CD1-CD2 4.26Å; L726-Y773 HydrophobicContact CD1-CE2 3.87Å; L726-V797 HydrophobicContact CD2-CG1 4.02Å; L726-V797 HydrophobicContact CD2-CG2 3.93Å
727R80.8Confident71.8Confident61 Ų6170.2 Ų70.223%0.2335%0.349CS..EExtended strand (participates in β ladder)trans-118.6117175.1174.8170.1-70-157.8-7.5109.8Y719 Y761 C762 D763Y719-R727 PolarHBondContact N-O 2.84Å; Y719-R727 PolarHBondContact O-N 2.75Å; R727-Y761 HydrophobicContact CG-CD2 4.25Å; R727-Y761 HydrophobicContact CG-CG 4.43Å; R727-C762 WeakPolarHBondContact CA-O 3.3Å; R727-D763 VanDerWaalsContact CB-OD1 3.23Å; R727-D763 WeakPolarHBondContact CB-OD1 3.35Å; R727-D763 WeakPolarHBondContact CG-OD1 3.49Å; R727-D763 IonicContact CZ-OD1 2.78Å; R727-D763 IonicContact CZ-OD2 3.77Å; R727-D763 IonicContact NE-OD1 3.32Å; R727-D763 PolarHBondContact NE-OD1 2.56Å; R727-D763 IonicContact NE-OD2 3.07Å; R727-D763 PolarHBondContact NE-OD2 3.47Å; R727-D763 IonicContact NH2-OD1 3.42Å; R727-D763 PolarHBondContact NH2-OD1 3.49Å; R727-D763 IonicContact NH2-OD2 2.66Å; R727-D763 PolarHBondContact NH2-OD2 3.31Å
728V81.9Confident71.7Confident0 Ų068 Ų680%034%0.338CS..EExtended strand (participates in β ladder)trans-85.5139.4164.8-173.50000108.8V716 K717 L718 W730 V742 L744 Y761 C762 V775 V777V716-V728 HydrophobicContact CG1-CG1 4Å; K717-V728 CarbonylContact O-C 3.56Å; K717-V728 WeakPolarHBondContact O-CA 3.38Å; L718-V728 HydrophobicContact CD1-CG2 3.8Å; V728-W730 HydrophobicContact CB-CZ3 4.48Å; V728-W730 HydrophobicContact CG1-CE3 4.13Å; V728-W730 HydrophobicContact CG1-CZ3 4.35Å; V728-V742 HydrophobicContact CB-CG1 3.74Å; V728-V742 HydrophobicContact CG1-CG1 3.8Å; V728-V742 HydrophobicContact CG2-CG1 3.57Å; V728-L744 HydrophobicContact CG2-CD1 3.25Å; V728-Y761 CarbonylContact O-C 3.55Å; V728-Y761 WeakPolarHBondContact O-CA 3.33Å; V728-Y761 WeakPolarHBondContact O-CB 3.14Å; V728-C762 PolarHBondContact N-O 2.71Å; V728-C762 PolarHBondContact O-N 2.98Å; V728-V775 HydrophobicContact CG1-CG1 3.65Å; V728-V775 HydrophobicContact CG2-CG1 4.13Å; V728-V777 HydrophobicContact CG1-CG2 4.16Å
729Y81.8Confident71.7Confident73 Ų7371.1 Ų71.129%0.28636%0.355SS..EExtended strand (participates in β ladder)trans-129.7144.7174.2172.3-91.9000110.6V716 K717 R731 M760V716-Y729 CarbonylContact C-O 3.54Å; V716-Y729 VanDerWaalsContact CA-O 3.23Å; V716-Y729 WeakPolarHBondContact CA-O 3.5Å; K717-Y729 PolarHBondContact N-O 3.29Å; K717-Y729 PolarHBondContact O-N 2.88Å; Y729-R731 HydrophobicContact CE1-CG 4.25Å; Y729-M760 CarbonylContact C-O 3.58Å; Y729-M760 VanDerWaalsContact CA-O 3.31Å; Y729-M760 WeakPolarHBondContact CA-O 3.12Å; Y729-M760 HydrophobicContact CD2-CB 4.26Å; Y729-M760 WeakPolarHBondContact CD2-O 3.41Å; Y729-M760 HydrophobicContact CE2-CB 3.82Å
730W83Confident72Confident0 Ų065.9 Ų65.90%034%0.335CS..EExtended strand (participates in β ladder)trans-144.6168.2174.960.995.6000112.2P713 V716 V728 H740 V742 A755 S759 M760 Y761 C762 V777P713-W730 HydrophobicContact CB-CB 4.25Å; P713-W730 HydrophobicContact CB-CG 4.22Å; V716-W730 HydrophobicContact CG2-CB 4.08Å; V728-W730 HydrophobicContact CB-CZ3 4.48Å; V728-W730 HydrophobicContact CG1-CE3 4.13Å; V728-W730 HydrophobicContact CG1-CZ3 4.35Å; W730-H740 AromaticContact CE2-CG 4Å; W730-H740 HydrophobicContact CZ2-CB 3.75Å; W730-H740 AromaticContact NE1-CD2 3.56Å; W730-H740 AromaticContact NE1-CG 3.56Å; W730-H740 AromaticContact NE1-ND1 3.84Å; W730-H740 AromaticContact NE1-NE2 3.82Å; W730-V742 HydrophobicContact CE3-CG2 4.1Å; W730-V742 HydrophobicContact CH2-CG2 3.69Å; W730-V742 HydrophobicContact CZ3-CG2 3.43Å; W730-V742 VanDerWaalsContact CZ3-CG2 3.43Å; W730-A755 HydrophobicContact CH2-CB 3.37Å; W730-A755 HydrophobicContact CZ2-CB 3.54Å; W730-S759 WeakPolarHBondContact CZ2-O 3.45Å; W730-M760 PolarHBondContact N-O 2.93Å; W730-Y761 WeakPolarHBondContact CH2-O 3.46Å; W730-Y761 VanDerWaalsContact CZ3-C 3.5Å; W730-Y761 VanDerWaalsContact CZ3-CA 3.45Å; W730-C762 HydrophobicContact CH2-CB 4.03Å; W730-C762 HydrophobicContact CZ3-CB 4.04Å; W730-V777 HydrophobicContact CB-CG1 4.45Å; W730-V777 HydrophobicContact CD2-CG1 3.71Å; W730-V777 HydrophobicContact CD2-CG2 4.44Å; W730-V777 HydrophobicContact CE3-CG1 4.07Å; W730-V777 HydrophobicContact CE3-CG2 4.16Å; W730-V777 HydrophobicContact CG-CG1 3.86Å
731R78.7Confident72.7Confident159 Ų15962.7 Ų62.760%0.632%0.324SS*.EExtended strand (participates in β ladder)trans-110.3126.8169.6-64-179.3175.3-179.9-3.6109.1T714 Y729T714-R731 PolarHBondContact N-O 2.87Å; T714-R731 PolarHBondContact O-N 2.86Å; T714-R731 PolarHBondContact OG1-O 2.92Å; Y729-R731 HydrophobicContact CE1-CG 4.25Å
732S72.7Confident73.2Confident19 Ų1957.5 Ų57.513%0.13331%0.305CS..  trans-108.4142.2171.2-179.70000109.7S734 P735S732-S734 PolarHBondContact O-N 3.19Å; S732-S734 PolarHBondContact OG-N 2.94Å; S732-P735 WeakPolarHBondContact O-CD 3.48Å; S732-P735 WeakPolarHBondContact O-CG 3.38Å
733S66.4Low74Confident89 Ų8951.8 Ų51.862%0.62227%0.267SS*.SBendtrans-72.3-10.6171.752.50000112.7
734S65.8Low74.7Confident54 Ų5447.6 Ų47.638%0.37825%0.245SC..SBendtrans-147.573173.2-57.40000109.8S732 Q736 A737S732-S734 PolarHBondContact O-N 3.19Å; S732-S734 PolarHBondContact OG-N 2.94Å; S734-Q736 PolarHBondContact O-N 2.72Å; S734-Q736 VanDerWaalsContact O-N 3.14Å; S734-A737 PolarHBondContact O-N 2.96Å; S734-A737 VanDerWaalsContact O-N 3.12Å
735P58Low75.4Confident40 Ų4047.9 Ų47.926%0.2624%0.241SC..THydrogen-bonded Turntrans-56.3-35.5-170.7-25.234.2000113.9S732 G758S732-P735 WeakPolarHBondContact O-CD 3.48Å; S732-P735 WeakPolarHBondContact O-CG 3.38Å; P735-G758 WeakPolarHBondContact O-CA 3.33Å; P735-G758 PolarHBondContact O-N 2.95Å
736Q60.2Low75.3Confident174 Ų17448.6 Ų48.681%0.81325%0.248SC*.THydrogen-bonded Turntrans-84.5-7.1-175.9-66169.7-23.600114.4S734S734-Q736 PolarHBondContact O-N 2.72Å; S734-Q736 VanDerWaalsContact O-N 3.14Å
737A63.2Low74.8Confident49 Ų4953.6 Ų53.641%0.40528%0.279SS..THydrogen-bonded Turntrans-95.3-22.2-167.800000114.9S734S734-A737 PolarHBondContact O-N 2.96Å; S734-A737 VanDerWaalsContact O-N 3.12Å
738Y72.8Confident74Confident54 Ų5454 Ų5421%0.21230%0.302CS..  trans-142.3141.7-171.9-56.6-74.1000111.5A710 H740 A757 P779A710-Y738 HydrophobicContact CB-CD1 3.75Å; A710-Y738 HydrophobicContact CB-CD2 3.79Å; A710-Y738 HydrophobicContact CB-CE1 3.64Å; A710-Y738 HydrophobicContact CB-CE2 3.67Å; A710-Y738 HydrophobicContact CB-CG 3.84Å; Y738-H740 PolarHBondContact O-CE1 3.42Å; Y738-H740 PolarHBondContact O-ND1 2.83Å; Y738-A757 WeakPolarHBondContact O-CA 3.15Å; Y738-P779 HydrophobicContact CG-CB 4.45Å
739N78.7Confident73.4Confident90 Ų9056 Ų5648%0.48132%0.318SS..EExtended strand (participates in β ladder)trans-70.4147.9164.6-69.7-16.4000109A757 P779 V780N739-A757 PolarHBondContact OD1-N 2.97Å; N739-P779 WeakPolarHBondContact O-CA 3.27Å; N739-V780 PolarHBondContact O-N 2.82Å
740H81.8Confident73.3Confident2 Ų257.7 Ų57.71%0.00933%0.333CS..EExtended strand (participates in β ladder)trans-117.7130.2-179.5-62.981.8000110.3P713 W730 Y738 A755 V777 A778P713-H740 VanDerWaalsContact CG-CD2 3.46Å; P713-H740 WeakPolarHBondContact CG-CD2 3.27Å; W730-H740 AromaticContact CE2-CG 4Å; W730-H740 HydrophobicContact CZ2-CB 3.75Å; W730-H740 AromaticContact NE1-CD2 3.56Å; W730-H740 AromaticContact NE1-CG 3.56Å; W730-H740 AromaticContact NE1-ND1 3.84Å; W730-H740 AromaticContact NE1-NE2 3.82Å; Y738-H740 PolarHBondContact O-CE1 3.42Å; Y738-H740 PolarHBondContact O-ND1 2.83Å; H740-A755 HydrophobicContact CB-CB 4.35Å; H740-A755 PolarHBondContact N-O 3.37Å; H740-A755 PolarHBondContact O-N 2.78Å; H740-V777 HydrophobicContact CB-CG1 4.24Å; H740-A778 WeakPolarHBondContact CA-O 3.47Å
741T83.6Confident73.1Confident14 Ų1460 Ų609%0.08634%0.342CS..EExtended strand (participates in β ladder)trans-89.8129.316744.40000108.7F754 V777 A778 V780T741-F754 HydrophobicContact CG2-CD1 3.79Å; T741-F754 HydrophobicContact CG2-CE1 3.61Å; T741-V777 WeakPolarHBondContact O-CA 3.14Å; T741-A778 PolarHBondContact N-O 3.1Å; T741-A778 PolarHBondContact O-N 3.02Å; T741-A778 PolarHBondContact OG1-O 3.46Å; T741-V780 HydrophobicContact CG2-CG2 3.54Å
742V82.4Confident73.1Confident1 Ų157 Ų571%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-114.5117.8172.7-177.90000108V728 W730 L744 T752 C753 C762 V775 V776 V777V728-V742 HydrophobicContact CB-CG1 3.74Å; V728-V742 HydrophobicContact CG1-CG1 3.8Å; V728-V742 HydrophobicContact CG2-CG1 3.57Å; W730-V742 HydrophobicContact CE3-CG2 4.1Å; W730-V742 HydrophobicContact CH2-CG2 3.69Å; W730-V742 HydrophobicContact CZ3-CG2 3.43Å; W730-V742 VanDerWaalsContact CZ3-CG2 3.43Å; V742-L744 HydrophobicContact CG1-CD1 4.48Å; V742-T752 WeakPolarHBondContact O-CA 3.4Å; V742-C753 HydrophobicContact CB-CB 4.37Å; V742-C753 WeakPolarHBondContact CB-O 3.34Å; V742-C753 PolarHBondContact N-O 3.5Å; V742-C753 PolarHBondContact O-N 3.08Å; V742-C762 HydrophobicContact CB-CB 4.26Å; V742-C762 HydrophobicContact CG2-CB 3.84Å; V742-V775 HydrophobicContact CG1-CG1 4.26Å; V742-V776 WeakPolarHBondContact CA-O 3.49Å; V742-V777 HydrophobicContact CG2-CG1 4.24Å; V742-V777 HydrophobicContact CG2-CG2 4.28Å
743E81.7Confident73.6Confident31 Ų3157 Ų5715%0.14534%0.341CS..EExtended strand (participates in β ladder)trans-112.2124.1176.6-62.7166158.400108.6Y745 T752 V775 V776 K786E743-Y745 HydrophobicContact CB-CD2 4.36Å; E743-Y745 HydrophobicContact CB-CE2 3.58Å; E743-Y745 VanDerWaalsContact CD-OH 3.3Å; E743-Y745 PolarHBondContact OE2-OH 3.28Å; E743-Y745 VanDerWaalsContact OE2-OH 3.08Å; E743-T752 HydrophobicContact CG-CG2 4.18Å; E743-V775 CarbonylContact O-C 3.53Å; E743-V775 VanDerWaalsContact O-CA 3.27Å; E743-V775 WeakPolarHBondContact O-CA 3.09Å; E743-V776 HydrophobicContact CB-CB 4.42Å; E743-V776 PolarHBondContact N-O 2.96Å; E743-V776 PolarHBondContact O-N 2.88Å; E743-K786 IonicContact OE1-NZ 3.54Å; E743-K786 PolarHBondContact OE1-NZ 2.91Å; E743-K786 IonicContact OE2-NZ 3.1Å; E743-K786 PolarHBondContact OE2-NZ 3.37Å
744L79.3Confident74.3Confident1 Ų160.2 Ų60.21%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-110.2109.4175.2-126.385.9000108.6L718 L726 V728 V742 N750 Y751 I764 Y773 T774 V775L718-L744 HydrophobicContact CD1-CD1 4.16Å; L718-L744 HydrophobicContact CD1-CD2 4.22Å; L726-L744 HydrophobicContact CD1-CD2 3.92Å; V728-L744 HydrophobicContact CG2-CD1 3.25Å; V742-L744 HydrophobicContact CG1-CD1 4.48Å; L744-N750 CarbonylContact O-C 3.53Å; L744-N750 WeakPolarHBondContact O-CA 3.36Å; L744-Y751 PolarHBondContact N-O 2.82Å; L744-Y751 PolarHBondContact O-N 3.25Å; L744-I764 HydrophobicContact CB-CD1 3.9Å; L744-I764 HydrophobicContact CD1-CD1 3.88Å; L744-I764 HydrophobicContact CD2-CD1 3.88Å; L744-I764 HydrophobicContact CG-CD1 4.11Å; L744-Y773 HydrophobicContact CD2-CD1 3.54Å; L744-Y773 HydrophobicContact CD2-CE1 4.1Å; L744-Y773 HydrophobicContact CD2-CG 3.78Å; L744-Y773 HydrophobicContact CG-CD1 4.08Å; L744-Y773 HydrophobicContact CG-CG 4.35Å; L744-T774 CarbonylContact C-O 3.53Å; L744-T774 WeakPolarHBondContact CA-O 3.44Å; L744-V775 HydrophobicContact CD1-CB 4.27Å; L744-V775 HydrophobicContact CD1-CG1 4.01Å; L744-V775 HydrophobicContact CD1-CG2 3.54Å; L744-V775 HydrophobicContact CG-CG2 4.15Å
745Y80.4Confident75Confident91 Ų9158 Ų5836%0.35733%0.328SS..EExtended strand (participates in β ladder)trans-98108175.3-56.2-87.4000109.5E743 N750 Y773 T774 V776E743-Y745 HydrophobicContact CB-CD2 4.36Å; E743-Y745 HydrophobicContact CB-CE2 3.58Å; E743-Y745 VanDerWaalsContact CD-OH 3.3Å; E743-Y745 PolarHBondContact OE2-OH 3.28Å; E743-Y745 VanDerWaalsContact OE2-OH 3.08Å; Y745-N750 VanDerWaalsContact CA-OD1 3.24Å; Y745-N750 WeakPolarHBondContact CA-OD1 3.44Å; Y745-N750 HydrophobicContact CD1-CB 4.33Å; Y745-Y773 CarbonylContact O-C 3.54Å; Y745-Y773 WeakPolarHBondContact O-CA 3.43Å; Y745-T774 PolarHBondContact N-O 3.11Å; Y745-T774 PolarHBondContact O-N 2.97Å; Y745-V776 HydrophobicContact CE2-CG2 4.31Å
746G70.7Confident75.9Confident16 Ų1659.2 Ų59.217%0.16534%0.342CS..  trans-104.5169.4177.600000112.4A749 N750 Y773G746-A749 CarbonylContact C-O 3.57Å; G746-A749 VanDerWaalsContact CA-O 3.23Å; G746-A749 WeakPolarHBondContact CA-O 3.28Å; G746-A749 PolarHBondContact N-O 2.81Å; G746-N750 PolarHBondContact N-OD1 2.98Å; G746-Y773 VanDerWaalsContact CA-CD1 3.47Å
747T67.4Low76.4Confident108 Ų10853.1 Ų53.166%0.66332%0.321SS*.SBendtrans-70.7-32.8179.915.40000113.6D771T747-D771 VanDerWaalsContact OG1-CG 3.26Å; T747-D771 PolarHBondContact OG1-OD1 2.92Å
748G64.6Low76.8Confident70 Ų7052.6 Ų52.672%0.72232%0.321SS*.SBendtrans-101.3-26.3176.300000115.3
749A69.1Low77Confident41 Ų4151.6 Ų51.634%0.33932%0.322SS..  trans-157.3153.6-178.600000112.2G746 Y751G746-A749 CarbonylContact C-O 3.57Å; G746-A749 VanDerWaalsContact CA-O 3.23Å; G746-A749 WeakPolarHBondContact CA-O 3.28Å; G746-A749 PolarHBondContact N-O 2.81Å; A749-Y751 HydrophobicContact CB-CE2 3.78Å
750N78.3Confident77Confident109 Ų10950.9 Ų50.958%0.58332%0.317SS*.EExtended strand (participates in β ladder)trans-105.6135.1171.2-64.4-29.5000109.6L744 Y745 G746L744-N750 CarbonylContact O-C 3.53Å; L744-N750 WeakPolarHBondContact O-CA 3.36Å; Y745-N750 VanDerWaalsContact CA-OD1 3.24Å; Y745-N750 WeakPolarHBondContact CA-OD1 3.44Å; Y745-N750 HydrophobicContact CD1-CB 4.33Å; G746-N750 PolarHBondContact N-OD1 2.98Å
751Y78.6Confident77Confident49 Ų4955.8 Ų55.819%0.19234%0.336CS..EExtended strand (participates in β ladder)trans-121.4136.3-178.3-57.2-94.3000109.8L744 A749 I764 E766 Y773L744-Y751 PolarHBondContact N-O 2.82Å; L744-Y751 PolarHBondContact O-N 3.25Å; A749-Y751 HydrophobicContact CB-CE2 3.78Å; Y751-I764 HydrophobicContact CD1-CG2 3.4Å; Y751-I764 VanDerWaalsContact CD1-CG2 3.4Å; Y751-I764 HydrophobicContact CD2-CG2 4.45Å; Y751-I764 HydrophobicContact CE1-CG2 4.06Å; Y751-I764 HydrophobicContact CG-CG2 3.61Å; Y751-E766 PolarHBondContact OH-O 2.9Å; Y751-Y773 HydrophobicContact CD2-CE1 4.18Å; Y751-Y773 AromaticContact CE2-CE1 3.95Å; Y751-Y773 HydrophobicContact CE2-CE1 3.95Å
752T79.7Confident77Confident95 Ų9555.4 Ų55.458%0.58333%0.334SS*.EExtended strand (participates in β ladder)trans-119.4133.7173.557.30000109.5V742 E743V742-T752 WeakPolarHBondContact O-CA 3.4Å; E743-T752 HydrophobicContact CG-CG2 4.18Å
753C82.8Confident76.8Confident20 Ų2057.7 Ų57.714%0.13535%0.346CS..EExtended strand (participates in β ladder)trans-131.4130.1179.7-173.30000109V742 C762 I764V742-C753 HydrophobicContact CB-CB 4.37Å; V742-C753 WeakPolarHBondContact CB-O 3.34Å; V742-C753 PolarHBondContact N-O 3.5Å; V742-C753 PolarHBondContact O-N 3.08Å; C753-C762 HydrophobicContact CB-CB 3.75Å; C753-C762 WeakPolarHBondContact CB-SG 3.31Å; C753-C762 WeakPolarHBondContact SG-CB 3.42Å; C753-C762 CovalentContact SG-SG 2.02Å; C753-C762 PolarHBondContact SG-SG 2.85Å; C753-I764 HydrophobicContact CB-CD1 4.35Å; C753-I764 HydrophobicContact CB-CG1 3.88Å
754F80.9Confident76.6Confident155 Ų15556.8 Ų56.868%0.6834%0.342SS*.EExtended strand (participates in β ladder)trans-103.3121.4-177.8-65.6-92.5000109.4T741T741-F754 HydrophobicContact CG2-CD1 3.79Å; T741-F754 HydrophobicContact CG2-CE1 3.61Å
755A80.1Confident76.1Confident7 Ų764 Ų646%0.05838%0.375CS..EExtended strand (participates in β ladder)trans-107.8116.1178.500000109.9W730 H740 C762W730-A755 HydrophobicContact CH2-CB 3.37Å; W730-A755 HydrophobicContact CZ2-CB 3.54Å; H740-A755 HydrophobicContact CB-CB 4.35Å; H740-A755 PolarHBondContact N-O 3.37Å; H740-A755 PolarHBondContact O-N 2.78Å; A755-C762 HydrophobicContact CB-CB 4.4Å
756A78.1Confident75.4Confident66 Ų6667.4 Ų67.455%0.54540%0.395SS..  trans-59151.3173.900000111.3G758 S759A756-G758 PolarHBondContact O-N 2.81Å; A756-S759 WeakPolarHBondContact O-CB 3.35Å; A756-S759 PolarHBondContact O-N 2.83Å
757A70.8Confident74.9Confident46 Ų4666.9 Ų66.938%0.3839%0.389SS..THydrogen-bonded Turntrans-50132.5173.500000111Y738 N739Y738-A757 WeakPolarHBondContact O-CA 3.15Å; N739-A757 PolarHBondContact OD1-N 2.97Å
758G70.6Confident74.5Confident38 Ų3865.1 Ų65.139%0.39238%0.379SS..THydrogen-bonded Turntrans97.8-27.1-170.600000114.1P735 A756P735-G758 WeakPolarHBondContact O-CA 3.33Å; P735-G758 PolarHBondContact O-N 2.95Å; A756-G758 PolarHBondContact O-N 2.81Å
759S76.9Confident74.5Confident34 Ų3463.9 Ų63.924%0.23836%0.359CS..  trans-78136.4175.3-170.40000112.1W730 A756 Y761W730-S759 WeakPolarHBondContact CZ2-O 3.45Å; A756-S759 WeakPolarHBondContact O-CB 3.35Å; A756-S759 PolarHBondContact O-N 2.83Å; S759-Y761 PolarHBondContact OG-N 2.9Å; S759-Y761 PolarHBondContact OG-O 3.14Å
760M78.5Confident74.1Confident75 Ų7564.8 Ų64.837%0.36937%0.372SS..  trans-107.85.8174.2-73.2-177.4-94.800112.7Y729 W730Y729-M760 CarbonylContact C-O 3.58Å; Y729-M760 VanDerWaalsContact CA-O 3.31Å; Y729-M760 WeakPolarHBondContact CA-O 3.12Å; Y729-M760 HydrophobicContact CD2-CB 4.26Å; Y729-M760 WeakPolarHBondContact CD2-O 3.41Å; Y729-M760 HydrophobicContact CE2-CB 3.82Å; W730-M760 PolarHBondContact N-O 2.93Å
761Y82Confident73.6Confident104 Ų10461.5 Ų61.541%0.40835%0.354SS..EExtended strand (participates in β ladder)trans-144.9162.517769.4-90.8000112.7R727 V728 W730 S759R727-Y761 HydrophobicContact CG-CD2 4.25Å; R727-Y761 HydrophobicContact CG-CG 4.43Å; V728-Y761 CarbonylContact O-C 3.55Å; V728-Y761 WeakPolarHBondContact O-CA 3.33Å; V728-Y761 WeakPolarHBondContact O-CB 3.14Å; W730-Y761 WeakPolarHBondContact CH2-O 3.46Å; W730-Y761 VanDerWaalsContact CZ3-C 3.5Å; W730-Y761 VanDerWaalsContact CZ3-CA 3.45Å; S759-Y761 PolarHBondContact OG-N 2.9Å; S759-Y761 PolarHBondContact OG-O 3.14Å
762C83.4Confident73.4Confident7 Ų762.4 Ų62.45%0.04737%0.365CS..EExtended strand (participates in β ladder)trans-143.1129.1175.8-139.50000109.4R727 V728 W730 V742 C753 A755R727-C762 WeakPolarHBondContact CA-O 3.3Å; V728-C762 PolarHBondContact N-O 2.71Å; V728-C762 PolarHBondContact O-N 2.98Å; W730-C762 HydrophobicContact CH2-CB 4.03Å; W730-C762 HydrophobicContact CZ3-CB 4.04Å; V742-C762 HydrophobicContact CB-CB 4.26Å; V742-C762 HydrophobicContact CG2-CB 3.84Å; C753-C762 HydrophobicContact CB-CB 3.75Å; C753-C762 WeakPolarHBondContact CB-SG 3.31Å; C753-C762 WeakPolarHBondContact SG-CB 3.42Å; C753-C762 CovalentContact SG-SG 2.02Å; C753-C762 PolarHBondContact SG-SG 2.85Å; A755-C762 HydrophobicContact CB-CB 4.4Å
763D79.3Confident73.2Confident49 Ų4958 Ų5826%0.26234%0.337SS..EExtended strand (participates in β ladder)trans-103.1129.7-176.9-76.28.4000110.5R721 L726 R727R721-D763 IonicContact CZ-OD2 2.88Å; R721-D763 IonicContact NH1-OD2 3.53Å; R721-D763 PolarHBondContact NH1-OD2 3.33Å; L726-D763 CarbonylContact O-C 3.54Å; L726-D763 WeakPolarHBondContact O-CA 3.11Å; R727-D763 VanDerWaalsContact CB-OD1 3.23Å; R727-D763 WeakPolarHBondContact CB-OD1 3.35Å; R727-D763 WeakPolarHBondContact CG-OD1 3.49Å; R727-D763 IonicContact CZ-OD1 2.78Å; R727-D763 IonicContact CZ-OD2 3.77Å; R727-D763 IonicContact NE-OD1 3.32Å; R727-D763 PolarHBondContact NE-OD1 2.56Å; R727-D763 IonicContact NE-OD2 3.07Å; R727-D763 PolarHBondContact NE-OD2 3.47Å; R727-D763 IonicContact NH2-OD1 3.42Å; R727-D763 PolarHBondContact NH2-OD1 3.49Å; R727-D763 IonicContact NH2-OD2 2.66Å; R727-D763 PolarHBondContact NH2-OD2 3.31Å
764I78.1Confident73Confident11 Ų1159.2 Ų59.26%0.05634%0.344CS..EExtended strand (participates in β ladder)trans-113.4122.4178.9-64.6161000107.1S725 L726 L744 Y751 C753S725-I764 CarbonylContact C-O 3.52Å; S725-I764 VanDerWaalsContact CA-O 3.27Å; S725-I764 WeakPolarHBondContact CA-O 3.46Å; S725-I764 VanDerWaalsContact CB-O 3.25Å; S725-I764 WeakPolarHBondContact CB-O 3.31Å; L726-I764 PolarHBondContact N-O 2.88Å; L726-I764 PolarHBondContact O-N 2.79Å; L744-I764 HydrophobicContact CB-CD1 3.9Å; L744-I764 HydrophobicContact CD1-CD1 3.88Å; L744-I764 HydrophobicContact CD2-CD1 3.88Å; L744-I764 HydrophobicContact CG-CD1 4.11Å; Y751-I764 HydrophobicContact CD1-CG2 3.4Å; Y751-I764 VanDerWaalsContact CD1-CG2 3.4Å; Y751-I764 HydrophobicContact CD2-CG2 4.45Å; Y751-I764 HydrophobicContact CE1-CG2 4.06Å; Y751-I764 HydrophobicContact CG-CG2 3.61Å; C753-I764 HydrophobicContact CB-CD1 4.35Å; C753-I764 HydrophobicContact CB-CG1 3.88Å
765Q68.3Low72.9Confident152 Ų15251.9 Ų51.971%0.7131%0.312SS*.SBendtrans-83.9153.6175.4-61.3-169.20.200110.5
766E64.6Low73Confident163 Ų16352.4 Ų52.476%0.76232%0.315SS*.  trans59.960.4-178.9-56.3-170.1149.800115.5Y751Y751-E766 PolarHBondContact OH-O 2.9Å
767G61.1Low73.1Confident5 Ų549.6 Ų49.65%0.05229%0.291CS..PPolyproline II helixtrans-89.2120.7169.100000112.4N724N724-G767 PolarHBondContact O-N 2.92Å
768T59.2Low73.5Confident72 Ų7247.4 Ų47.444%0.44227%0.273SS..PPolyproline II helixtrans-61.7137.3168.945.50000110.6D771 Y773T768-D771 WeakPolarHBondContact CB-OD2 3.48Å; T768-D771 PolarHBondContact OG1-OD2 2.81Å; T768-Y773 PolarHBondContact O-OH 2.86Å; T768-Y773 PolarHBondContact OG1-OH 3.05Å
769C63.9Low74Confident44 Ų4445.6 Ų45.630%0.29725%0.254SS..SBendtrans-93.1143.7173.173.50000110.3R720 C799R720-C769 VanDerWaalsContact NH1-CB 3.31Å; C769-C799 HydrophobicContact CB-CB 4.02Å; C769-C799 WeakPolarHBondContact CB-SG 2.96Å; C769-C799 PolarHBondContact O-SG 3.38Å; C769-C799 VanDerWaalsContact O-SG 3.41Å; C769-C799 VanDerWaalsContact SG-CA 3.54Å; C769-C799 WeakPolarHBondContact SG-CB 3.44Å; C769-C799 CovalentContact SG-SG 2.05Å; C769-C799 PolarHBondContact SG-SG 3.33Å
770G61Low73.9Confident60 Ų6045.2 Ų45.262%0.61925%0.25SS*.SBendtrans108.3-19.9-171.900000113.9V797G770-V797 WeakPolarHBondContact CA-O 3.48Å; G770-V797 PolarHBondContact N-O 2.89Å
771D68.6Low73.4Confident39 Ų3942.8 Ų42.821%0.20924%0.244CC..  trans-87.4162.3-171.9-77.4-50.9000115.4T747 T768 Y773 V797T747-D771 VanDerWaalsContact OG1-CG 3.26Å; T747-D771 PolarHBondContact OG1-OD1 2.92Å; T768-D771 WeakPolarHBondContact CB-OD2 3.48Å; T768-D771 PolarHBondContact OG1-OD2 2.81Å; D771-Y773 HydrophobicContact CB-CD2 4.43Å; D771-Y773 HydrophobicContact CB-CE2 3.75Å; D771-V797 PolarHBondContact O-N 3.37Å
772V72.9Confident72.4Confident69 Ų6947.7 Ų47.742%0.41827%0.268SS..EExtended strand (participates in β ladder)trans-109.8125.2173.7-176.80000109.5T794 Y795V772-T794 HydrophobicContact CG1-CG2 4.41Å; V772-Y795 CarbonylContact C-O 3.59Å; V772-Y795 WeakPolarHBondContact CA-O 3.32Å
773Y75.3Confident71.4Confident2 Ų251.6 Ų51.61%0.00830%0.295CS..EExtended strand (participates in β ladder)trans-113.9133.7-175.5-68.2-83.3000112.1L718 L726 L744 Y745 G746 Y751 T768 D771 T794 Y795 V797L718-Y773 HydrophobicContact CD2-CD2 4.38Å; L726-Y773 HydrophobicContact CD1-CD2 4.26Å; L726-Y773 HydrophobicContact CD1-CE2 3.87Å; L744-Y773 HydrophobicContact CD2-CD1 3.54Å; L744-Y773 HydrophobicContact CD2-CE1 4.1Å; L744-Y773 HydrophobicContact CD2-CG 3.78Å; L744-Y773 HydrophobicContact CG-CD1 4.08Å; L744-Y773 HydrophobicContact CG-CG 4.35Å; Y745-Y773 CarbonylContact O-C 3.54Å; Y745-Y773 WeakPolarHBondContact O-CA 3.43Å; G746-Y773 VanDerWaalsContact CA-CD1 3.47Å; Y751-Y773 HydrophobicContact CD2-CE1 4.18Å; Y751-Y773 AromaticContact CE2-CE1 3.95Å; Y751-Y773 HydrophobicContact CE2-CE1 3.95Å; T768-Y773 PolarHBondContact O-OH 2.86Å; T768-Y773 PolarHBondContact OG1-OH 3.05Å; D771-Y773 HydrophobicContact CB-CD2 4.43Å; D771-Y773 HydrophobicContact CB-CE2 3.75Å; Y773-T794 CarbonylContact O-C 3.59Å; Y773-T794 WeakPolarHBondContact O-CA 3.23Å; Y773-Y795 PolarHBondContact N-O 2.86Å; Y773-Y795 PolarHBondContact O-N 3.43Å; Y773-V797 HydrophobicContact CD2-CG2 3.92Å; Y773-V797 HydrophobicContact CE2-CG2 4.14Å
774T79.5Confident70.6Confident46 Ų4652 Ų5228%0.28231%0.31SS..EExtended strand (participates in β ladder)trans-96.4126.2168.8-51.60000110L744 Y745 P792 R793 T794L744-T774 CarbonylContact C-O 3.53Å; L744-T774 WeakPolarHBondContact CA-O 3.44Å; Y745-T774 PolarHBondContact N-O 3.11Å; Y745-T774 PolarHBondContact O-N 2.97Å; T774-P792 HydrophobicContact CG2-CB 3.78Å; T774-R793 CarbonylContact C-O 3.54Å; T774-T794 HydrophobicContact CG2-CG2 4.24Å; T774-T794 WeakPolarHBondContact OG1-CG2 3.11Å
775V78.5Confident70.1Confident0 Ų058.4 Ų58.40%034%0.34CS..EExtended strand (participates in β ladder)trans-113.1123.9-174.7-171.30000110.2V716 V728 V742 E743 L744 V777 P792 R793 Y795V716-V775 HydrophobicContact CG1-CB 4.42Å; V716-V775 HydrophobicContact CG1-CG1 3.84Å; V728-V775 HydrophobicContact CG1-CG1 3.65Å; V728-V775 HydrophobicContact CG2-CG1 4.13Å; V742-V775 HydrophobicContact CG1-CG1 4.26Å; E743-V775 CarbonylContact O-C 3.53Å; E743-V775 VanDerWaalsContact O-CA 3.27Å; E743-V775 WeakPolarHBondContact O-CA 3.09Å; L744-V775 HydrophobicContact CD1-CB 4.27Å; L744-V775 HydrophobicContact CD1-CG1 4.01Å; L744-V775 HydrophobicContact CD1-CG2 3.54Å; L744-V775 HydrophobicContact CG-CG2 4.15Å; V775-V777 HydrophobicContact CG1-CG2 4.21Å; V775-P792 CarbonylContact O-C 3.55Å; V775-P792 WeakPolarHBondContact O-CA 3.26Å; V775-R793 PolarHBondContact N-O 2.87Å; V775-R793 PolarHBondContact O-N 2.82Å; V775-Y795 HydrophobicContact CB-CD2 4.35Å; V775-Y795 HydrophobicContact CB-CE2 3.99Å; V775-Y795 HydrophobicContact CG2-CD2 3.62Å; V775-Y795 HydrophobicContact CG2-CE2 3.74Å
776V82.2Confident70.2Confident18 Ų1854.7 Ų54.711%0.10932%0.322CS..EExtended strand (participates in β ladder)trans-111.8132.3166.2179.20000107.9V742 E743 Y745 A778 P792V742-V776 WeakPolarHBondContact CA-O 3.49Å; E743-V776 HydrophobicContact CB-CB 4.42Å; E743-V776 PolarHBondContact N-O 2.96Å; E743-V776 PolarHBondContact O-N 2.88Å; Y745-V776 HydrophobicContact CE2-CG2 4.31Å; V776-A778 HydrophobicContact CG1-CB 4.48Å; V776-P792 HydrophobicContact CG2-CB 3.75Å
777V80.9Confident70.8Confident7 Ų747.7 Ų47.74%0.04229%0.29CS..EExtended strand (participates in β ladder)trans-119.6115.6167.8-1700000107.9P713 V716 V728 W730 H740 T741 V742 V775P713-V777 HydrophobicContact CB-CB 4.47Å; P713-V777 HydrophobicContact CB-CG1 4.22Å; P713-V777 HydrophobicContact CG-CB 4.48Å; P713-V777 HydrophobicContact CG-CG1 3.93Å; V716-V777 HydrophobicContact CG1-CG2 3.85Å; V716-V777 HydrophobicContact CG2-CB 4.26Å; V716-V777 HydrophobicContact CG2-CG2 3.83Å; V728-V777 HydrophobicContact CG1-CG2 4.16Å; W730-V777 HydrophobicContact CB-CG1 4.45Å; W730-V777 HydrophobicContact CD2-CG1 3.71Å; W730-V777 HydrophobicContact CD2-CG2 4.44Å; W730-V777 HydrophobicContact CE3-CG1 4.07Å; W730-V777 HydrophobicContact CE3-CG2 4.16Å; W730-V777 HydrophobicContact CG-CG1 3.86Å; H740-V777 HydrophobicContact CB-CG1 4.24Å; T741-V777 WeakPolarHBondContact O-CA 3.14Å; V742-V777 HydrophobicContact CG2-CG1 4.24Å; V742-V777 HydrophobicContact CG2-CG2 4.28Å; V775-V777 HydrophobicContact CG1-CG2 4.21Å
778A79.4Confident71.3Confident1 Ų153.5 Ų53.51%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-125.5135.5-178.800000110.7H740 T741 V776 K786 C790H740-A778 WeakPolarHBondContact CA-O 3.47Å; T741-A778 PolarHBondContact N-O 3.1Å; T741-A778 PolarHBondContact O-N 3.02Å; T741-A778 PolarHBondContact OG1-O 3.46Å; V776-A778 HydrophobicContact CG1-CB 4.48Å; A778-K786 HydrophobicContact CB-CD 4.38Å; A778-K786 HydrophobicContact CB-CG 3.79Å; A778-C790 HydrophobicContact CB-CB 4.25Å
779P79.7Confident72.1Confident0 Ų053.6 Ų53.60%032%0.319CS..EExtended strand (participates in β ladder)trans-71.8144.7171.633.4-31.9000109.2A710 Y738 N739 V787 C790A710-P779 HydrophobicContact CB-CB 3.88Å; A710-P779 HydrophobicContact CB-CG 3.82Å; Y738-P779 HydrophobicContact CG-CB 4.45Å; N739-P779 WeakPolarHBondContact O-CA 3.27Å; P779-V787 HydrophobicContact CG-CB 4.05Å; P779-V787 HydrophobicContact CG-CG2 3.88Å; P779-V787 PolarHBondContact O-N 2.89Å; P779-V787 VanDerWaalsContact O-N 3.1Å; P779-C790 VanDerWaalsContact CD-SG 3.55Å
780V76.1Confident72.8Confident26 Ų2652.2 Ų52.216%0.15831%0.31CS..EExtended strand (participates in β ladder)trans-101.3127.6173.5-173.30000107.9N739 T741 G784N739-V780 PolarHBondContact O-N 2.82Å; T741-V780 HydrophobicContact CG2-CG2 3.54Å; V780-G784 VanDerWaalsContact CG1-C 3.44Å; V780-G784 VanDerWaalsContact CG1-O 3.3Å; V780-G784 WeakPolarHBondContact CG1-O 3.31Å
781G66.9Low73.6Confident23 Ų2355 Ų5524%0.23731%0.31CS..PPolyproline II helixtrans-66.4165.6175.200000111.9S783 G784 E785G781-S783 PolarHBondContact O-N 3.27Å; G781-S783 VanDerWaalsContact O-N 3.09Å; G781-G784 PolarHBondContact O-N 2.88Å; G781-E785 PolarHBondContact N-O 2.99Å
782K62.5Low74Confident207 Ų20756.4 Ų56.490%0.932%0.321SS*.THydrogen-bonded Turntrans-62.1-16.9176.8-66.4-175.1178-177.80113.5G784K782-G784 VanDerWaalsContact C-N 3.33Å
783S60.8Low74.2Confident89 Ų8957.2 Ų57.262%0.62232%0.317SS*.THydrogen-bonded Turntrans-79.7-4.8172.550.40000114.5G781 E785G781-S783 PolarHBondContact O-N 3.27Å; G781-S783 VanDerWaalsContact O-N 3.09Å; S783-E785 PolarHBondContact O-N 3.04Å
784G62.3Low74.3Confident57 Ų5759 Ų5959%0.58833%0.328SS*.SBendtrans82.8-6.2-171.300000114.2V780 G781 K782V780-G784 VanDerWaalsContact CG1-C 3.44Å; V780-G784 VanDerWaalsContact CG1-O 3.3Å; V780-G784 WeakPolarHBondContact CG1-O 3.31Å; G781-G784 PolarHBondContact O-N 2.88Å; K782-G784 VanDerWaalsContact C-N 3.33Å
785E68.1Low74Confident146 Ų14658.4 Ų58.468%0.68232%0.321SS*.  trans-74.9132.2177.8-65.8-173.314300112.1G781 S783G781-E785 PolarHBondContact N-O 2.99Å; S783-E785 PolarHBondContact O-N 3.04Å
786K71.7Confident73.5Confident75 Ų7559.9 Ų59.933%0.32633%0.331SS..BIsolated β-bridgetrans-81131.3176176.5-172.5173.9-165.90110.2E743 A778 T788E743-K786 IonicContact OE1-NZ 3.54Å; E743-K786 PolarHBondContact OE1-NZ 2.91Å; E743-K786 IonicContact OE2-NZ 3.1Å; E743-K786 PolarHBondContact OE2-NZ 3.37Å; A778-K786 HydrophobicContact CB-CD 4.38Å; A778-K786 HydrophobicContact CB-CG 3.79Å; K786-T788 PolarHBondContact O-N 3.03Å; K786-T788 VanDerWaalsContact O-N 3.13Å
787V75.5Confident72.9Confident15 Ų1559.7 Ų59.79%0.09133%0.33CS..  trans-65.2114171.91750000110.2P779 F789P779-V787 HydrophobicContact CG-CB 4.05Å; P779-V787 HydrophobicContact CG-CG2 3.88Å; P779-V787 PolarHBondContact O-N 2.89Å; P779-V787 VanDerWaalsContact O-N 3.1Å; V787-F789 HydrophobicContact CG1-CD1 4.15Å; V787-F789 HydrophobicContact CG1-CD2 3.67Å; V787-F789 HydrophobicContact CG1-CE1 3.87Å; V787-F789 HydrophobicContact CG1-CE2 3.32Å; V787-F789 HydrophobicContact CG1-CG 4.08Å; V787-F789 HydrophobicContact CG1-CZ 3.45Å; V787-F789 VanDerWaalsContact CG1-CZ 3.45Å
788T71.9Confident71.9Confident128 Ų12862.4 Ų62.479%0.78535%0.348SS*.THydrogen-bonded Turntrans-80.8-17.7-168.752.90000114.8K786K786-T788 PolarHBondContact O-N 3.03Å; K786-T788 VanDerWaalsContact O-N 3.13Å
789F76.3Confident71.1Confident74 Ų7465.2 Ų65.233%0.32537%0.367SS..THydrogen-bonded Turntrans-9512.2-174.452.8-111.6000115.2Q638 S709 V787Q638-F789 HydrophobicContact CB-CD2 4.48Å; Q638-F789 HydrophobicContact CB-CE2 3.7Å; Q638-F789 HydrophobicContact CB-CZ 4.14Å; S709-F789 WeakPolarHBondContact OG-CZ 3.36Å; V787-F789 HydrophobicContact CG1-CD1 4.15Å; V787-F789 HydrophobicContact CG1-CD2 3.67Å; V787-F789 HydrophobicContact CG1-CE1 3.87Å; V787-F789 HydrophobicContact CG1-CE2 3.32Å; V787-F789 HydrophobicContact CG1-CG 4.08Å; V787-F789 HydrophobicContact CG1-CZ 3.45Å; V787-F789 VanDerWaalsContact CG1-CZ 3.45Å
790C79Confident70Confident14 Ų1470.8 Ų70.810%0.09540%0.403CS..PPolyproline II helixtrans-77.9142.8175.7-57.90000112.6C712 A778 P779C712-C790 HydrophobicContact CB-CB 3.91Å; C712-C790 WeakPolarHBondContact CB-SG 3.3Å; C712-C790 WeakPolarHBondContact SG-CA 3.41Å; C712-C790 WeakPolarHBondContact SG-CB 3.41Å; C712-C790 CovalentContact SG-SG 2.05Å; C712-C790 PolarHBondContact SG-SG 3.37Å; A778-C790 HydrophobicContact CB-CB 4.25Å; P779-C790 VanDerWaalsContact CD-SG 3.55Å
791L77.4Confident68.8Low119 Ų11973.9 Ų73.962%0.62344%0.44SS*.PPolyproline II helixtrans-88.2131.4-166.5-73.5159.6000114.6
792P77.3Confident67.6Low68 Ų6877.2 Ų77.244%0.44246%0.459SS..PPolyproline II helixtrans-68.7159.4174.425.7-33.2000114.7T774 V775 V776T774-P792 HydrophobicContact CG2-CB 3.78Å; V775-P792 CarbonylContact O-C 3.55Å; V775-P792 WeakPolarHBondContact O-CA 3.26Å; V776-P792 HydrophobicContact CG2-CB 3.75Å
793R77.3Confident66.7Low86 Ų8675.7 Ų75.733%0.32546%0.461SS..EExtended strand (participates in β ladder)trans-144.4131-179.1-59.8-67.3175.5-107.7-0.3112.2V716 T774 V775 Y795V716-R793 HydrophobicContact CB-CG 4.42Å; T774-R793 CarbonylContact C-O 3.54Å; V775-R793 PolarHBondContact N-O 2.87Å; V775-R793 PolarHBondContact O-N 2.82Å; R793-Y795 HydrophobicContact CB-CE2 3.56Å; R793-Y795 WeakPolarHBondContact CB-OH 3.37Å; R793-Y795 WeakPolarHBondContact O-CE2 3.28Å
794T76.2Confident66Low41 Ų4175 Ų7525%0.25246%0.461SS..EExtended strand (participates in β ladder)trans-102.5140.6-17818.50000114V772 Y773 T774 S809V772-T794 HydrophobicContact CG1-CG2 4.41Å; Y773-T794 CarbonylContact O-C 3.59Å; Y773-T794 WeakPolarHBondContact O-CA 3.23Å; T774-T794 HydrophobicContact CG2-CG2 4.24Å; T774-T794 WeakPolarHBondContact OG1-CG2 3.11Å; T794-S809 PolarHBondContact OG1-O 3.28Å
795Y73.4Confident64.8Low33 Ų3375.1 Ų75.113%0.12946%0.462CS..EExtended strand (participates in β ladder)trans-143.1153.2-179.9-50.9-97000111.2V716 L718 V772 Y773 V775 R793V716-Y795 PolarHBondContact O-OH 3.16Å; L718-Y795 HydrophobicContact CB-CD1 4.18Å; L718-Y795 HydrophobicContact CB-CD2 4.05Å; L718-Y795 HydrophobicContact CB-CG 3.83Å; L718-Y795 HydrophobicContact CD2-CG 4.45Å; V772-Y795 CarbonylContact C-O 3.59Å; V772-Y795 WeakPolarHBondContact CA-O 3.32Å; Y773-Y795 PolarHBondContact N-O 2.86Å; Y773-Y795 PolarHBondContact O-N 3.43Å; V775-Y795 HydrophobicContact CB-CD2 4.35Å; V775-Y795 HydrophobicContact CB-CE2 3.99Å; V775-Y795 HydrophobicContact CG2-CD2 3.62Å; V775-Y795 HydrophobicContact CG2-CE2 3.74Å; R793-Y795 HydrophobicContact CB-CE2 3.56Å; R793-Y795 WeakPolarHBondContact CB-OH 3.37Å; R793-Y795 WeakPolarHBondContact O-CE2 3.28Å
796S68.9Low63.7Low31 Ų3176 Ų7622%0.21747%0.469CS..EExtended strand (participates in β ladder)trans-120142.1179.451.20000112.1I808S796-I808 WeakPolarHBondContact OG-CD1 3.44Å
797V69.5Low62.4Low13 Ų1377.2 Ų77.28%0.07948%0.482CS..  trans-120.1111.4-171.1-177.60000112.4L718 R720 L726 G770 D771 Y773L718-V797 HydrophobicContact CD2-CG2 3.85Å; R720-V797 HydrophobicContact CB-CG1 4.39Å; R720-V797 HydrophobicContact CG-CG1 4.49Å; L726-V797 HydrophobicContact CD2-CG1 4.02Å; L726-V797 HydrophobicContact CD2-CG2 3.93Å; G770-V797 WeakPolarHBondContact CA-O 3.48Å; G770-V797 PolarHBondContact N-O 2.89Å; D771-V797 PolarHBondContact O-N 3.37Å; Y773-V797 HydrophobicContact CD2-CG2 3.92Å; Y773-V797 HydrophobicContact CE2-CG2 4.14Å
798P60Low61.2Low64 Ų6482.7 Ų82.742%0.41651%0.509SS..PPolyproline II helixtrans-81.9159.4-178.531.8-35.2000114.9R720R720-P798 PolarHBondContact NH1-O 3.25Å
799C61.4Low59.8Low61 Ų6179.3 Ų79.341%0.41249%0.491SS..PPolyproline II helixtrans-88.1160.1176.1-66.50000113.5C769C769-C799 HydrophobicContact CB-CB 4.02Å; C769-C799 WeakPolarHBondContact CB-SG 2.96Å; C769-C799 PolarHBondContact O-SG 3.38Å; C769-C799 VanDerWaalsContact O-SG 3.41Å; C769-C799 VanDerWaalsContact SG-CA 3.54Å; C769-C799 WeakPolarHBondContact SG-CB 3.44Å; C769-C799 CovalentContact SG-SG 2.05Å; C769-C799 PolarHBondContact SG-SG 3.33Å
800P56.8Low58.3Low116 Ų11686 Ų8675%0.75351%0.514SS*.THydrogen-bonded Turntrans-67.2133.3-174.7-15.630.7000112.2
801G51.6Low56.2Low91 Ų9196.3 Ų96.394%0.93855%0.551SS**THydrogen-bonded Turntrans128.7-12.1179.100000115
802S41.9Very low54.2Low93 Ų93102.3 Ų102.365%0.6557%0.565SS**  trans-138.7125.7175.5-1770000111.9A804S802-A804 PolarHBondContact O-N 2.94Å
803N42.8Very low52Low176 Ų176109.8 Ų109.894%0.94159%0.585SS**  trans-87.489.6178.4-93.5-17.1000111.3
804A47.3Very low49.9Very low73 Ų73111.1 Ų111.160%0.60361%0.607SS**  trans-174147.4149.500000111.8S802S802-A804 PolarHBondContact O-N 2.94Å
805G36.5Very low47.8Very low61 Ų61115 Ų11563%0.62963%0.631SS**  trans-15287172.100000111.8
806M44.8Very low45.9Very low165 Ų165126.5 Ų126.581%0.81368%0.681SS**  trans-80.5160.1174.9-64.4-174.4-17200112
807V43.8Very low44.8Very low99 Ų99131.3 Ų131.360%0.670%0.704SS**  trans-79.7122.2173.8175.80000110.1
808I50.5Low43.5Very low130 Ų130137.5 Ų137.567%0.66774%0.737SS**  trans-84.6-30.2-170.7-63.8-178.6000114.2S796S796-I808 WeakPolarHBondContact OG-CD1 3.44Å
809S42.9Very low42.5Very low57 Ų57141.6 Ų141.640%0.39976%0.755SS.*  trans-163.9142177.4-171.80000115.1T794T794-S809 PolarHBondContact OG1-O 3.28Å
810R44.1Very low41.4Very low214 Ų214146.4 Ų146.481%0.80878%0.775SS**  trans-107.698.2155.4-78.2-177.2175.1177-0.1109.1R812R810-R812 PolarHBondContact O-N 2.85Å; R810-R812 VanDerWaalsContact O-N 3.1Å
811R35.7Very low40.5Very low232 Ų232148.3 Ų148.388%0.87578%0.777SS**  trans-66.3108.7164.8-81.3-171.9173.9-175.8-0.9109.4
812R34.9Very low39.7Very low244 Ų244152.1 Ų152.192%0.92177%0.766SS**PPolyproline II helixtrans-72.6122.6158.4-83.1-176.6171.1176.1-2.9107.5R810R810-R812 PolarHBondContact O-N 2.85Å; R810-R812 VanDerWaalsContact O-N 3.1Å
813R32.6Very low39.6Very low226 Ų226156.3 Ų156.385%0.85377%0.774SS**PPolyproline II helixtrans-78.5119158.2-137.8179.3-168.8178.52.6105.8
814S32.6Very low39.3Very low113 Ų113154.8 Ų154.879%0.7976%0.762SS**PPolyproline II helixtrans-72.8143.7153.255.20000107.3
815V32.1Very low38.7Very low124 Ų124161.6 Ų161.675%0.75278%0.775SS**  trans-130.2137.6165.8-174.30000104.9
816K33.5Very low38.9Very low274 Ų274170.7 Ų170.7100%1.19179%0.788SS**  trans-66.50175.5-72.8-179.6171.5-176.70110.7

Retrieved 816 of 816 residues in 219.5 ms (Link to these results)