A0A087WY63_HUMAN Loading...

Hemicentin 2

AlphaFold DB , UniProt , Accession A0A087WY63, Species HUMAN (Homo sapiens, Human), Gene HMCN2, Length 595 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
1M46Very low56.8Low211 Ų211107.8 Ų107.8100%1.03968%0.676SS**  0125.90-177.5179.4-73.400107.2L3M1-L3 HydrophobicContact CG-CD2 4.14Å; M1-L3 HydrophobicContact CG-CG 4.37Å; M1-L3 HydrophobicContact SD-CD2 3.93Å
2I48.8Very low58.8Low146 Ų146111.8 Ų111.875%0.74968%0.676SS**  trans-80.2127.8176.6-59.3172.1000107.2
3L56.3Low60.6Low95 Ų95108.2 Ų108.250%0.49765%0.651SS.*  trans-116.96.1-170.7-72.2169.3000114M1 L13 Y26M1-L3 HydrophobicContact CG-CD2 4.14Å; M1-L3 HydrophobicContact CG-CG 4.37Å; M1-L3 HydrophobicContact SD-CD2 3.93Å; L3-L13 HydrophobicContact CB-CD1 3.68Å; L3-L13 WeakPolarHBondContact O-CD1 3.43Å; L3-Y26 HydrophobicContact CD1-CE1 3.93Å
4A54.4Low62.1Low40 Ų40115.7 Ų115.733%0.33166%0.661SS.*SBendtrans-110.9136.5167.300000108.8
5P54Low63.6Low100 Ų100111.5 Ų111.565%0.64964%0.636SS**  trans-69.4138.817828.6-33.8000110.9G7 S8P5-G7 PolarHBondContact O-N 3.42Å; P5-S8 PolarHBondContact O-N 3.21Å
6E52.4Low64.5Low189 Ų189112.4 Ų112.488%0.88365%0.647SS**THydrogen-bonded Turntrans-57.7135.5171.9-63-178.315300109.6
7G54.1Low65.7Low82 Ų82109.8 Ų109.885%0.84564%0.642SS**THydrogen-bonded Turntrans93.3-3.2-172.700000116.1P5 S9P5-G7 PolarHBondContact O-N 3.42Å; G7-S9 PolarHBondContact O-N 2.85Å
8S55.4Low66.7Low50 Ų50106.7 Ų106.735%0.3563%0.631SS.*  trans-73.692.5172-168.90000112.4P5 S10 G11P5-S8 PolarHBondContact O-N 3.21Å; S8-S10 PolarHBondContact O-N 3.27Å; S8-S10 PolarHBondContact OG-OG 2.76Å; S8-G11 PolarHBondContact O-N 2.79Å
9S59.2Low67.7Low133 Ų133106.4 Ų106.493%0.9362%0.623SS**THydrogen-bonded Turntrans-59.8-6.6175.858.80000115.1G7G7-S9 PolarHBondContact O-N 2.85Å
10S70.6Confident68.4Low84 Ų84106.7 Ų106.759%0.58762%0.618SS**THydrogen-bonded Turntrans-91.6-12.1179.171.60000115.2S8 K12S8-S10 PolarHBondContact O-N 3.27Å; S8-S10 PolarHBondContact OG-OG 2.76Å; S10-K12 PolarHBondContact O-N 3.28Å; S10-K12 VanDerWaalsContact O-N 3.1Å
11G73.8Confident69.1Low56 Ų56109.9 Ų109.958%0.57762%0.62SS**  trans61.315.1-177.700000115.7S8S8-G11 PolarHBondContact O-N 2.79Å
12K80.3Confident71Confident156 Ų156101 Ų10168%0.67858%0.576SS**  trans-103.9115.8-167-173172-176.5172.20113.5S10S10-K12 PolarHBondContact O-N 3.28Å; S10-K12 VanDerWaalsContact O-N 3.1Å
13L82.3Confident72.8Confident65 Ų6596.2 Ų96.234%0.3456%0.558SS.*  trans-73.3141.5165.1177.760.9000110.9L3 I15 Y26L3-L13 HydrophobicContact CB-CD1 3.68Å; L3-L13 WeakPolarHBondContact O-CD1 3.43Å; L13-I15 HydrophobicContact CG-CG1 4.47Å; L13-Y26 HydrophobicContact CD2-CD1 3.5Å; L13-Y26 HydrophobicContact CD2-CE1 3.65Å; L13-Y26 HydrophobicContact CD2-CG 4.43Å
14R81.9Confident74.2Confident213 Ų21392.7 Ų92.780%0.80455%0.546SS*.  trans-136.3117.1172.2-175.5179.7-175.5173.61.3110.6
15I84.7Confident75.9Confident53 Ų5394.7 Ų94.727%0.27255%0.554SS.*  trans-98.6113.7171.7-59.8170.9000107L13 A18 D22 Y26 L43L13-I15 HydrophobicContact CG-CG1 4.47Å; I15-A18 HydrophobicContact CG2-CB 4.08Å; I15-D22 HydrophobicContact CD1-CB 4.41Å; I15-Y26 HydrophobicContact CD1-CE1 4.47Å; I15-L43 HydrophobicContact CD1-CD2 3.55Å
16P78.7Confident77.5Confident125 Ų12592.3 Ų92.381%0.81253%0.532SS*.SBendtrans-69-34.6-171.7-23.935.4000114.7
17A84.4Confident79.1Confident69 Ų6987 Ų8757%0.5751%0.513SS*.SBendtrans-146.295.7177.400000108.5
18A83.8Confident80.6Confident54 Ų5486.7 Ų86.745%0.44650%0.497SS..  trans-69.2132.7-17600000111.6I15 V45I15-A18 HydrophobicContact CG2-CB 4.08Å; A18-V45 HydrophobicContact CB-CG1 4.19Å; A18-V45 HydrophobicContact CB-CG2 4.1Å
19Q85.8Confident82.1Confident101 Ų10192 Ų9247%0.47251%0.509SS..  trans-118166.1176.8-60.9-175.8-1.800109.8R21 D22Q19-R21 HydrophobicContact CB-CG 4.39Å; Q19-R21 PolarHBondContact O-N 2.79Å; Q19-R21 VanDerWaalsContact O-N 3.13Å; Q19-R21 VanDerWaalsContact OE1-CZ 3.24Å; Q19-D22 PolarHBondContact N-OD2 2.89Å; Q19-D22 WeakPolarHBondContact O-CA 3.23Å; Q19-D22 WeakPolarHBondContact O-CB 3.12Å; Q19-D22 PolarHBondContact O-N 3.44Å
20E81.3Confident83.3Confident112 Ų11288.7 Ų88.752%0.52349%0.49SS..G310 helixtrans-58.5-32.1-171.2-172.3163.2-137.600113.8D22 A23 R75E20-D22 PolarHBondContact O-N 3.39Å; E20-A23 WeakPolarHBondContact O-CB 3.41Å; E20-A23 PolarHBondContact O-N 2.78Å; E20-R75 VanDerWaalsContact CD-NH1 3.27Å; E20-R75 VanDerWaalsContact OE1-CD 3.29Å; E20-R75 WeakPolarHBondContact OE1-CD 3.39Å; E20-R75 IonicContact OE1-CZ 3.97Å; E20-R75 IonicContact OE1-NE 2.82Å; E20-R75 IonicContact OE1-NH1 2.9Å; E20-R75 PolarHBondContact OE1-NH1 2.82Å; E20-R75 IonicContact OE2-CZ 2.72Å; E20-R75 IonicContact OE2-NH1 3.23Å; E20-R75 PolarHBondContact OE2-NH1 2.9Å; E20-R75 VanDerWaalsContact OE2-NH1 3.08Å
21R83.2Confident83.9Confident174 Ų17489.9 Ų89.966%0.65749%0.493SS*.G310 helixtrans-68.6-13173.159.7134.5-162.2-69.4-19.7115.2Q19 A23Q19-R21 HydrophobicContact CB-CG 4.39Å; Q19-R21 PolarHBondContact O-N 2.79Å; Q19-R21 VanDerWaalsContact O-N 3.13Å; Q19-R21 VanDerWaalsContact OE1-CZ 3.24Å; R21-A23 VanDerWaalsContact C-N 3.29Å
22D86.3Confident84.4Confident23 Ų2392.4 Ų92.412%0.12349%0.494CS..G310 helixtrans-914.2177.1-45.9-35.5000110.7I15 Q19 E20 Y26 L43I15-D22 HydrophobicContact CD1-CB 4.41Å; Q19-D22 PolarHBondContact N-OD2 2.89Å; Q19-D22 WeakPolarHBondContact O-CA 3.23Å; Q19-D22 WeakPolarHBondContact O-CB 3.12Å; Q19-D22 PolarHBondContact O-N 3.44Å; E20-D22 PolarHBondContact O-N 3.39Å; D22-Y26 WeakPolarHBondContact O-CE2 3.4Å; D22-Y26 PolarHBondContact O-OH 3.05Å; D22-Y26 VanDerWaalsContact O-OH 3.13Å; D22-L43 VanDerWaalsContact O-CD2 3.28Å; D22-L43 WeakPolarHBondContact O-CD2 3.4Å
23A85.4Confident84.8Confident46 Ų4694.6 Ų94.638%0.3851%0.506SS..  trans-78.8132.3168.900000110.9E20 R21 L43 V45E20-A23 WeakPolarHBondContact O-CB 3.41Å; E20-A23 PolarHBondContact O-N 2.78Å; R21-A23 VanDerWaalsContact C-N 3.29Å; A23-L43 CarbonylContact C-O 3.54Å; A23-L43 VanDerWaalsContact CA-O 3.28Å; A23-L43 WeakPolarHBondContact CA-O 3.34Å; A23-V45 HydrophobicContact CB-CB 4.11Å; A23-V45 HydrophobicContact CB-CG2 4.1Å
24G86.2Confident85.1Confident22 Ų2299.5 Ų99.523%0.22753%0.532CS..EExtended strand (participates in β ladder)trans166.5-179.8-177.100000113.5L43G24-L43 PolarHBondContact N-O 2.93Å; G24-L43 PolarHBondContact O-N 2.97Å
25T89.5Confident85.3Confident81 Ų8191.2 Ų91.250%0.49751%0.513SS..EExtended strand (participates in β ladder)trans-87124.5172.9-40.80000109.1E40 Q42T25-E40 HydrophobicContact CG2-CB 4.09Å; T25-Q42 PolarHBondContact OG1-OE1 3.18Å
26Y87.7Confident85.5Confident50 Ų5092.6 Ų92.620%0.19652%0.521CS..EExtended strand (participates in β ladder)trans-111.4115.6177.2-74.2-103000109.3L3 L13 I15 D22 E40 I41 L43L3-Y26 HydrophobicContact CD1-CE1 3.93Å; L13-Y26 HydrophobicContact CD2-CD1 3.5Å; L13-Y26 HydrophobicContact CD2-CE1 3.65Å; L13-Y26 HydrophobicContact CD2-CG 4.43Å; I15-Y26 HydrophobicContact CD1-CE1 4.47Å; D22-Y26 WeakPolarHBondContact O-CE2 3.4Å; D22-Y26 PolarHBondContact O-OH 3.05Å; D22-Y26 VanDerWaalsContact O-OH 3.13Å; Y26-E40 WeakPolarHBondContact O-CA 3.13Å; Y26-I41 PolarHBondContact N-O 2.9Å; Y26-I41 PolarHBondContact O-N 2.83Å; Y26-L43 HydrophobicContact CD2-CB 3.8Å; Y26-L43 HydrophobicContact CD2-CD2 4.49Å; Y26-L43 HydrophobicContact CE2-CB 3.74Å; Y26-L43 HydrophobicContact CE2-CD2 3.84Å; Y26-L43 HydrophobicContact CE2-CG 4.35Å
27T86.8Confident86Confident79 Ų7989.9 Ų89.949%0.48551%0.509SS..EExtended strand (participates in β ladder)trans-89.1114.7174.3-42.10000109.4E40T27-E40 HydrophobicContact CG2-CG 4.01Å; T27-E40 PolarHBondContact OG1-OE1 3.19Å
28C86.1Confident86.2Confident75 Ų7590.3 Ų90.351%0.50751%0.507SS..EExtended strand (participates in β ladder)trans-84.7125.1165-172.40000108.1S38 A39C28-S38 CarbonylContact O-C 3.6Å; C28-S38 WeakPolarHBondContact O-CA 3.4Å; C28-S38 WeakPolarHBondContact O-CB 3.19Å; C28-A39 PolarHBondContact N-O 3Å; C28-A39 PolarHBondContact O-N 2.7Å
29R86.6Confident86.5Confident161 Ų16190.8 Ų90.861%0.60851%0.512SS*.EExtended strand (participates in β ladder)trans-126.4123.7178.1-171.6177.3-168.3-158.81.2109.4V31 D36 A37R29-V31 HydrophobicContact CG-CG2 4.33Å; R29-D36 IonicContact CZ-OD1 3.78Å; R29-D36 IonicContact CZ-OD2 3.26Å; R29-D36 VanDerWaalsContact CZ-OD2 3.26Å; R29-D36 IonicContact NE-OD1 3.96Å; R29-D36 IonicContact NE-OD2 2.72Å; R29-D36 PolarHBondContact NE-OD2 3.07Å; R29-D36 IonicContact NH2-OD1 2.82Å; R29-D36 PolarHBondContact NH2-OD1 3Å; R29-D36 IonicContact NH2-OD2 2.97Å; R29-D36 PolarHBondContact NH2-OD2 2.67Å; R29-A37 WeakPolarHBondContact CA-O 3.11Å
30A83.2Confident86.7Confident64 Ų6492.6 Ų92.653%0.52952%0.52SS..EExtended strand (participates in β ladder)trans-109.5137.2174.200000109.1D36 A37A30-D36 CarbonylContact O-C 3.42Å; A30-D36 VanDerWaalsContact O-CA 3.3Å; A30-D36 WeakPolarHBondContact O-CA 3.34Å; A30-D36 WeakPolarHBondContact O-CB 3.28Å; A30-A37 PolarHBondContact N-O 2.8Å; A30-A37 PolarHBondContact O-N 3.11Å
31V84.3Confident87Confident108 Ų10892.7 Ų92.766%0.65552%0.523SS*.EExtended strand (participates in β ladder)trans-131140.6-176.3-169.60000108.5R29 D36R29-V31 HydrophobicContact CG-CG2 4.33Å; V31-D36 HydrophobicContact CB-CB 4.28Å; V31-D36 HydrophobicContact CG1-CB 4.19Å; V31-D36 HydrophobicContact CG2-CB 3.87Å
32N84.8Confident87.3Confident110 Ų11090.3 Ų90.359%0.58852%0.519SS*.EExtended strand (participates in β ladder)trans-136.6-178.3167.271.518.6000110.3L34 G35N32-L34 PolarHBondContact O-N 2.75Å; N32-L34 WeakPolarHBondContact OD1-CA 3.33Å; N32-L34 PolarHBondContact OD1-N 3.4Å; N32-G35 PolarHBondContact N-O 3.42Å; N32-G35 PolarHBondContact O-N 3.11Å; N32-G35 PolarHBondContact OD1-N 3.42Å; N32-G35 VanDerWaalsContact OD1-N 3.15Å; N32-G35 PolarHBondContact OD1-O 3.27Å
33E87.8Confident87.3Confident202 Ų20291.9 Ų91.994%0.94453%0.528SS*.THydrogen-bonded Turntrans-64.1-10.7-177.5-60.7179176.600114.5
34L87.8Confident87.3Confident167 Ų16792.3 Ų92.387%0.87453%0.531SS*.THydrogen-bonded Turntrans-109.6-7.2-178.3-58.9175.7000113.5N32N32-L34 PolarHBondContact O-N 2.75Å; N32-L34 WeakPolarHBondContact OD1-CA 3.33Å; N32-L34 PolarHBondContact OD1-N 3.4Å
35G87.1Confident87.4Confident39 Ų3992.6 Ų92.640%0.40253%0.528SS..EExtended strand (participates in β ladder)trans151.8-167.7177.800000114.2N32N32-G35 PolarHBondContact N-O 3.42Å; N32-G35 PolarHBondContact O-N 3.11Å; N32-G35 PolarHBondContact OD1-N 3.42Å; N32-G35 VanDerWaalsContact OD1-N 3.15Å; N32-G35 PolarHBondContact OD1-O 3.27Å
36D88.3Confident87.4Confident83 Ų8390.2 Ų90.244%0.44452%0.52SS..EExtended strand (participates in β ladder)trans-131.6156.5176.881.9-93000113.9R29 A30 V31R29-D36 IonicContact CZ-OD1 3.78Å; R29-D36 IonicContact CZ-OD2 3.26Å; R29-D36 VanDerWaalsContact CZ-OD2 3.26Å; R29-D36 IonicContact NE-OD1 3.96Å; R29-D36 IonicContact NE-OD2 2.72Å; R29-D36 PolarHBondContact NE-OD2 3.07Å; R29-D36 IonicContact NH2-OD1 2.82Å; R29-D36 PolarHBondContact NH2-OD1 3Å; R29-D36 IonicContact NH2-OD2 2.97Å; R29-D36 PolarHBondContact NH2-OD2 2.67Å; A30-D36 CarbonylContact O-C 3.42Å; A30-D36 VanDerWaalsContact O-CA 3.3Å; A30-D36 WeakPolarHBondContact O-CA 3.34Å; A30-D36 WeakPolarHBondContact O-CB 3.28Å; V31-D36 HydrophobicContact CB-CB 4.28Å; V31-D36 HydrophobicContact CG1-CB 4.19Å; V31-D36 HydrophobicContact CG2-CB 3.87Å
37A89.3Confident87.5Confident67 Ų6791.9 Ų91.955%0.55453%0.529SS*.EExtended strand (participates in β ladder)trans-133.5145172.500000109.3R29 A30R29-A37 WeakPolarHBondContact CA-O 3.11Å; A30-A37 PolarHBondContact N-O 2.8Å; A30-A37 PolarHBondContact O-N 3.11Å
38S89.1Confident87.9Confident78 Ų7890.2 Ų90.255%0.54552%0.523SS..EExtended strand (participates in β ladder)trans-137153.7175.855.80000112.8C28C28-S38 CarbonylContact O-C 3.6Å; C28-S38 WeakPolarHBondContact O-CA 3.4Å; C28-S38 WeakPolarHBondContact O-CB 3.19Å
39A89.2Confident88.3Confident65 Ų6587 Ų8754%0.53750%0.501SS..EExtended strand (participates in β ladder)trans-144.6141.4175.200000109.6C28C28-A39 PolarHBondContact N-O 3Å; C28-A39 PolarHBondContact O-N 2.7Å
40E90.9Very high88.7Confident138 Ų13885.5 Ų85.565%0.64550%0.501SS*.EExtended strand (participates in β ladder)trans-106.3142.3-178.8-58.7-160.513900111.7T25 Y26 T27T25-E40 HydrophobicContact CG2-CB 4.09Å; Y26-E40 WeakPolarHBondContact O-CA 3.13Å; T27-E40 HydrophobicContact CG2-CG 4.01Å; T27-E40 PolarHBondContact OG1-OE1 3.19Å
41I88.5Confident89.2Confident115 Ų11584.1 Ų84.159%0.5949%0.485SS*.EExtended strand (participates in β ladder)trans-130.3128.3172.9-172.9170.5000110Y26 L43Y26-I41 PolarHBondContact N-O 2.9Å; Y26-I41 PolarHBondContact O-N 2.83Å; I41-L43 PolarHBondContact O-N 3.47Å
42Q87.8Confident89.6Confident124 Ų12483.3 Ų83.358%0.57948%0.48SS*.EExtended strand (participates in β ladder)trans-83110.7172.9-167.468.723.500109.5T25T25-Q42 PolarHBondContact OG1-OE1 3.18Å
43L86.3Confident89.9Confident56 Ų5681.5 Ų81.529%0.29347%0.468SS..EExtended strand (participates in β ladder)trans-84.2114.8167.5-179.951.9000108.7I15 D22 A23 G24 Y26 I41 V45I15-L43 HydrophobicContact CD1-CD2 3.55Å; D22-L43 VanDerWaalsContact O-CD2 3.28Å; D22-L43 WeakPolarHBondContact O-CD2 3.4Å; A23-L43 CarbonylContact C-O 3.54Å; A23-L43 VanDerWaalsContact CA-O 3.28Å; A23-L43 WeakPolarHBondContact CA-O 3.34Å; G24-L43 PolarHBondContact N-O 2.93Å; G24-L43 PolarHBondContact O-N 2.97Å; Y26-L43 HydrophobicContact CD2-CB 3.8Å; Y26-L43 HydrophobicContact CD2-CD2 4.49Å; Y26-L43 HydrophobicContact CE2-CB 3.74Å; Y26-L43 HydrophobicContact CE2-CD2 3.84Å; Y26-L43 HydrophobicContact CE2-CG 4.35Å; I41-L43 PolarHBondContact O-N 3.47Å; L43-V45 HydrophobicContact CD1-CG2 4.36Å; L43-V45 HydrophobicContact CD2-CG2 4.43Å; L43-V45 HydrophobicContact CG-CG2 4.04Å
44A85.3Confident90.2Very high54 Ų5476.9 Ų76.945%0.44645%0.45SS..  trans-95.3131.7165.100000109F131A44-F131 HydrophobicContact CB-CZ 3.92Å; A44-F131 WeakPolarHBondContact O-CZ 3.4Å
45V88.6Confident90.5Very high29 Ų2969.6 Ų69.618%0.17641%0.412CS..  trans-117.5142170.4-171.40000108.5A18 A23 L43A18-V45 HydrophobicContact CB-CG1 4.19Å; A18-V45 HydrophobicContact CB-CG2 4.1Å; A23-V45 HydrophobicContact CB-CB 4.11Å; A23-V45 HydrophobicContact CB-CG2 4.1Å; L43-V45 HydrophobicContact CD1-CG2 4.36Å; L43-V45 HydrophobicContact CD2-CG2 4.43Å; L43-V45 HydrophobicContact CG-CG2 4.04Å
46G90Very high90.8Very high31 Ų3177.6 Ų77.632%0.3243%0.43SS..  trans172.4-158.9-173.800000111.1R75 F131G46-R75 WeakPolarHBondContact CA-O 3.42Å; G46-F131 VanDerWaalsContact CA-CE2 3.48Å
47H90.8Very high91.2Very high85 Ų8578 Ų7839%0.39443%0.432SS..EExtended strand (participates in β ladder)trans-145.3150.5-179.655.1-97.8000112.4G74 R75 N129H47-G74 WeakPolarHBondContact NE2-CA 3.31Å; H47-R75 PolarHBondContact N-O 2.84Å; H47-R75 PolarHBondContact O-N 2.93Å; H47-N129 PolarHBondContact O-ND2 2.95Å
48A93.4Very high91.3Very high43 Ų4376.7 Ų76.736%0.35542%0.418SS..EExtended strand (participates in β ladder)trans-62.1156.8176.400000111.7F131A48-F131 HydrophobicContact CB-CB 4.36Å
49P95.3Very high91.5Very high8 Ų877.4 Ų77.45%0.05242%0.418CS..EExtended strand (participates in β ladder)trans-70.9143.9-173.6-17.333.1000112.6T73 P78 A127 N129 G132 V134P49-T73 CarbonylContact C-O 3.58Å; P49-T73 VanDerWaalsContact CA-O 3.24Å; P49-T73 WeakPolarHBondContact CA-O 2.99Å; P49-P78 HydrophobicContact CB-CB 3.75Å; P49-P78 HydrophobicContact CB-CG 4.14Å; P49-P78 HydrophobicContact CG-CB 3.79Å; P49-A127 HydrophobicContact CB-CB 4.32Å; P49-N129 WeakPolarHBondContact CD-OD1 3.35Å; P49-N129 HydrophobicContact CG-CB 4.22Å; P49-G132 VanDerWaalsContact CD-C 3.48Å; P49-G132 WeakPolarHBondContact CD-O 3.26Å; P49-V134 HydrophobicContact CB-CG1 4Å; P49-V134 WeakPolarHBondContact O-CG1 3.32Å
50Q94.4Very high91.5Very high130 Ų13075.1 Ų75.161%0.60740%0.398SS*.EExtended strand (participates in β ladder)trans-123.2136.1173.8-64.8-175.5-11.600109.6A72 T73Q50-A72 CarbonylContact O-C 3.41Å; Q50-A72 WeakPolarHBondContact O-CA 3.49Å; Q50-T73 PolarHBondContact N-O 2.89Å; Q50-T73 PolarHBondContact O-N 3.03Å
51L93.3Very high91.3Very high34 Ų3473.4 Ų73.418%0.17839%0.39CS..EExtended strand (participates in β ladder)trans-78126.4177.1-61.5-177.8000110.4L54 R71 A72 A127 V134 A136L51-L54 HydrophobicContact CB-CD1 3.95Å; L51-L54 HydrophobicContact CB-CG 4.32Å; L51-L54 HydrophobicContact CD1-CG 4.25Å; L51-R71 CarbonylContact C-O 3.36Å; L51-R71 WeakPolarHBondContact CA-O 3.17Å; L51-A72 HydrophobicContact CD2-CB 3.97Å; L51-A127 HydrophobicContact CD2-CB 4.1Å; L51-V134 HydrophobicContact CD1-CG2 4.35Å; L51-V134 HydrophobicContact CD2-CG1 3.67Å; L51-V134 HydrophobicContact CG-CG1 3.72Å; L51-V134 HydrophobicContact CG-CG2 4.06Å; L51-A136 HydrophobicContact CD1-CB 3.45Å; L51-A136 VanDerWaalsContact CD1-CB 3.45Å
52T92.9Very high91.2Very high91 Ų9169.9 Ų69.956%0.55837%0.372SS*.EExtended strand (participates in β ladder)trans-105.5-24.4176.751.70000112.8R71 T73T52-R71 PolarHBondContact N-O 3.4Å; T52-R71 PolarHBondContact OG1-O 3.34Å; T52-T73 HydrophobicContact CG2-CG2 3.75Å
53E92.8Very high90.9Very high73 Ų7366.2 Ų66.234%0.34137%0.368SS..EExtended strand (participates in β ladder)trans-127114.6166.3-175.8173.7-162.400107.1C70 R71E53-C70 WeakPolarHBondContact O-CA 3.36Å; E53-R71 HydrophobicContact CB-CB 3.78Å; E53-R71 HydrophobicContact CB-CG 3.95Å; E53-R71 PolarHBondContact N-O 2.9Å; E53-R71 PolarHBondContact O-N 2.95Å; E53-R71 VanDerWaalsContact OE2-CD 3.3Å; E53-R71 WeakPolarHBondContact OE2-CD 3.46Å; E53-R71 WeakPolarHBondContact OE2-CG 3.23Å; E53-R71 IonicContact OE2-CZ 3.78Å; E53-R71 IonicContact OE2-NE 3.17Å; E53-R71 PolarHBondContact OE2-NE 3.03Å; E53-R71 IonicContact OE2-NH2 3.91Å
54L93.6Very high91Very high105 Ų10570.7 Ų70.755%0.5538%0.381SS..  trans-87.4141.4174-78.977.6000109.6L51L51-L54 HydrophobicContact CB-CD1 3.95Å; L51-L54 HydrophobicContact CB-CG 4.32Å; L51-L54 HydrophobicContact CD1-CG 4.25Å
55P93.5Very high91.1Very high13 Ų1371.6 Ų71.68%0.08438%0.384CS..  trans-67.2156.5173.634-38.2000110.9A69 W82 A136 A138P55-A69 WeakPolarHBondContact CA-O 3.37Å; P55-A69 WeakPolarHBondContact CB-O 3.41Å; P55-W82 HydrophobicContact CB-CH2 3.74Å; P55-W82 HydrophobicContact CG-CH2 4.24Å; P55-A136 HydrophobicContact CG-CB 3.96Å; P55-A138 HydrophobicContact CB-CB 3.69Å; P55-A138 HydrophobicContact CG-CB 4.06Å
56R94.2Very high91Very high207 Ų20770.7 Ų70.778%0.78138%0.379SS*.  trans-131.4150.6-177.3-57.9-177.2-175.1-1720.6109.8V58 L68 A138R56-V58 PolarHBondContact O-N 3.12Å; R56-L68 WeakPolarHBondContact O-CD2 3.45Å; R56-A138 WeakPolarHBondContact O-CB 3.1Å
57D95.1Very high91Very high91 Ų9173.7 Ų73.749%0.48739%0.387SS..  trans-60130.5174.7-7415.1000110.3A138 R139D57-A138 WeakPolarHBondContact OD1-CA 3.32Å; D57-R139 VanDerWaalsContact CA-O 3.29Å; D57-R139 WeakPolarHBondContact CA-O 3.49Å; D57-R139 PolarHBondContact OD1-N 3.11Å
58V93Very high91Very high41 Ų4169.8 Ų69.825%0.24837%0.369CS..EExtended strand (participates in β ladder)trans-117.5122.7-178.6169.40000108.9R56 V60 A66 L68 R139 L140 I141R56-V58 PolarHBondContact O-N 3.12Å; V58-V60 HydrophobicContact CG1-CB 4.35Å; V58-A66 HydrophobicContact CG1-CB 4.38Å; V58-L68 HydrophobicContact CB-CD2 4.05Å; V58-L68 HydrophobicContact CG2-CD2 3.67Å; V58-R139 PolarHBondContact N-O 2.58Å; V58-L140 HydrophobicContact CB-CD1 4.03Å; V58-L140 HydrophobicContact CG1-CD1 3.96Å; V58-I141 PolarHBondContact O-N 3.33Å
59T91.7Very high90.8Very high92 Ų9268.5 Ų68.556%0.56436%0.358SS*.EExtended strand (participates in β ladder)trans-99.3128.5171.2-56.30000109.5I141 T143T59-I141 WeakPolarHBondContact CA-O 3.18Å; T59-I141 HydrophobicContact CG2-CB 4.42Å; T59-I141 HydrophobicContact CG2-CG2 4.21Å; T59-T143 HydrophobicContact CG2-CG2 3.47Å; T59-T143 VanDerWaalsContact CG2-CG2 3.47Å
60V90Very high90.6Very high17 Ų1768.1 Ų68.110%0.10336%0.356CS..EExtended strand (participates in β ladder)trans-150.5141-170.260.70000112.1V58 R64 A66 V115 L140 I141 V142 T143V58-V60 HydrophobicContact CG1-CB 4.35Å; V60-R64 HydrophobicContact CG2-CB 3.73Å; V60-A66 HydrophobicContact CB-CB 4.44Å; V60-A66 HydrophobicContact CG1-CB 4.12Å; V60-A66 HydrophobicContact CG2-CB 4.26Å; V60-V115 HydrophobicContact CG1-CB 4.36Å; V60-V115 HydrophobicContact CG1-CG1 4.01Å; V60-V115 HydrophobicContact CG1-CG2 4.05Å; V60-V115 HydrophobicContact CG2-CG2 4.48Å; V60-L140 HydrophobicContact CG1-CD1 3.77Å; V60-L140 HydrophobicContact CG1-CG 4.28Å; V60-I141 PolarHBondContact N-O 2.91Å; V60-V142 WeakPolarHBondContact O-CA 3.29Å; V60-T143 PolarHBondContact O-N 2.86Å; V60-T143 PolarHBondContact O-OG1 3.3Å; V60-T143 VanDerWaalsContact O-OG1 3.13Å
61E87Confident90.4Very high103 Ų10369.1 Ų69.148%0.48135%0.354SS..EExtended strand (participates in β ladder)trans-71.2145.4175.7-55.2-179.7134.400111.9G63 R64 T143E61-G63 PolarHBondContact O-N 2.77Å; E61-R64 HydrophobicContact CB-CG 3.83Å; E61-R64 WeakPolarHBondContact O-CB 3.37Å; E61-R64 WeakPolarHBondContact O-CG 3.23Å; E61-R64 PolarHBondContact O-N 2.96Å; E61-R64 IonicContact OE2-CZ 3.71Å; E61-R64 IonicContact OE2-NE 3.7Å; E61-R64 PolarHBondContact OE2-NE 2.95Å; E61-R64 VanDerWaalsContact OE2-NE 3.11Å; E61-R64 IonicContact OE2-NH2 3.45Å; E61-R64 PolarHBondContact OE2-NH2 2.91Å; E61-R64 VanDerWaalsContact OE2-NH2 3.17Å; E61-T143 WeakPolarHBondContact CA-O 3.15Å
62L85.5Confident90.4Very high41 Ų4168.4 Ų68.422%0.21535%0.354CS..THydrogen-bonded Turntrans-47.7135.3169.7-73.3158000112.6R64 P117 V142 T143 A146L62-R64 PolarHBondContact O-N 2.94Å; L62-P117 HydrophobicContact CD2-CG 3.8Å; L62-V142 HydrophobicContact CD2-CG1 3.51Å; L62-V142 HydrophobicContact CG-CG1 3.77Å; L62-T143 WeakPolarHBondContact CG-O 3.43Å; L62-T143 PolarHBondContact N-O 2.81Å; L62-A146 HydrophobicContact CD1-CB 3.97Å
63G82.9Confident90.4Very high47 Ų4767.3 Ų67.349%0.48535%0.347SS..THydrogen-bonded Turntrans78.5-6.217900000115.5E61 V115E61-G63 PolarHBondContact O-N 2.77Å; G63-V115 PolarHBondContact N-O 3.29Å
64R87.4Confident90.2Very high150 Ų15064.4 Ų64.457%0.56634%0.336SS*.SBendtrans-81.4161.6169.7-57.2-65.1-167.8164.83.6110.9V60 E61 L62 S114 V115V60-R64 HydrophobicContact CG2-CB 3.73Å; E61-R64 HydrophobicContact CB-CG 3.83Å; E61-R64 WeakPolarHBondContact O-CB 3.37Å; E61-R64 WeakPolarHBondContact O-CG 3.23Å; E61-R64 PolarHBondContact O-N 2.96Å; E61-R64 IonicContact OE2-CZ 3.71Å; E61-R64 IonicContact OE2-NE 3.7Å; E61-R64 PolarHBondContact OE2-NE 2.95Å; E61-R64 VanDerWaalsContact OE2-NE 3.11Å; E61-R64 IonicContact OE2-NH2 3.45Å; E61-R64 PolarHBondContact OE2-NH2 2.91Å; E61-R64 VanDerWaalsContact OE2-NH2 3.17Å; L62-R64 PolarHBondContact O-N 2.94Å; R64-S114 WeakPolarHBondContact O-CA 3.41Å; R64-V115 WeakPolarHBondContact O-CB 3.4Å; R64-V115 WeakPolarHBondContact O-CG2 3.22Å; R64-V115 PolarHBondContact O-N 2.76Å
65S86.8Confident90Very high73 Ų7365.4 Ų65.451%0.5133%0.333SS..  trans-80.3152.6167.954.50000111.7F112 E113S65-F112 CarbonylContact C-O 3.53Å; S65-F112 WeakPolarHBondContact CA-O 3.48Å; S65-F112 VanDerWaalsContact CB-O 3.28Å; S65-F112 WeakPolarHBondContact CB-O 3.37Å; S65-E113 WeakPolarHBondContact CA-O 3.41Å; S65-E113 WeakPolarHBondContact CB-O 3.41Å
66A87.8Confident89.8Confident9 Ų968 Ų687%0.07435%0.349CS..EExtended strand (participates in β ladder)trans-142.4159.9175.300000111.1V58 V60 F111 F112 V115 L140V58-A66 HydrophobicContact CG1-CB 4.38Å; V60-A66 HydrophobicContact CB-CB 4.44Å; V60-A66 HydrophobicContact CG1-CB 4.12Å; V60-A66 HydrophobicContact CG2-CB 4.26Å; A66-F111 WeakPolarHBondContact O-CD2 3.31Å; A66-F112 HydrophobicContact CB-CB 4.19Å; A66-F112 HydrophobicContact CB-CD2 4.17Å; A66-F112 HydrophobicContact CB-CG 4.43Å; A66-F112 PolarHBondContact N-O 2.92Å; A66-F112 PolarHBondContact O-N 3.49Å; A66-V115 HydrophobicContact CB-CG2 3.66Å; A66-L140 HydrophobicContact CB-CD1 3.93Å
67L89.4Confident89.7Confident95 Ų9563.4 Ų63.450%0.49735%0.347SS..EExtended strand (participates in β ladder)trans-144.4141.6174.271.494.5000111.8A69 V109 L110 F111L67-A69 HydrophobicContact CD1-CB 4.36Å; L67-V109 HydrophobicContact CB-CG1 3.87Å; L67-V109 HydrophobicContact CD1-CG1 4.08Å; L67-L110 VanDerWaalsContact CA-O 3.3Å; L67-L110 WeakPolarHBondContact CA-O 3.13Å; L67-F111 HydrophobicContact CB-CD2 4.2Å
68L90.4Very high89.4Confident2 Ų259.7 Ų59.71%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-115.2122.7169.6-60175.5000108.2R56 V58 W82 V109 L110 F112 Y123 A138R56-L68 WeakPolarHBondContact O-CD2 3.45Å; V58-L68 HydrophobicContact CB-CD2 4.05Å; V58-L68 HydrophobicContact CG2-CD2 3.67Å; L68-W82 HydrophobicContact CB-CH2 3.56Å; L68-W82 HydrophobicContact CB-CZ2 4.01Å; L68-W82 HydrophobicContact CB-CZ3 4.18Å; L68-W82 HydrophobicContact CD1-CH2 4.44Å; L68-W82 HydrophobicContact CD1-CZ3 4.27Å; L68-W82 VanDerWaalsContact O-CZ2 3.31Å; L68-W82 WeakPolarHBondContact O-CZ2 3.4Å; L68-V109 CarbonylContact O-C 3.54Å; L68-V109 VanDerWaalsContact O-CA 3.29Å; L68-V109 WeakPolarHBondContact O-CA 3.35Å; L68-L110 HydrophobicContact CB-CB 4.49Å; L68-L110 PolarHBondContact N-O 3.15Å; L68-L110 PolarHBondContact O-N 2.9Å; L68-F112 HydrophobicContact CD1-CE2 4.35Å; L68-F112 HydrophobicContact CG-CE2 4.4Å; L68-Y123 HydrophobicContact CD1-CD2 3.97Å; L68-Y123 HydrophobicContact CD1-CG 3.88Å; L68-A138 HydrophobicContact CD2-CB 4.48Å
69A90.3Very high89.3Confident16 Ų1662.4 Ų62.413%0.13234%0.344CS..EExtended strand (participates in β ladder)trans-105.1140.2-177.800000111.8P55 L67 V109P55-A69 WeakPolarHBondContact CA-O 3.37Å; P55-A69 WeakPolarHBondContact CB-O 3.41Å; L67-A69 HydrophobicContact CD1-CB 4.36Å; A69-V109 HydrophobicContact CB-CG2 4.17Å
70C90.3Very high89.2Confident0 Ų059.3 Ų59.30%033%0.325CS..  trans-149.7122.2178.6-1780000109.2E53 W82 G108 C125E53-C70 WeakPolarHBondContact O-CA 3.36Å; C70-W82 HydrophobicContact CB-CH2 4.15Å; C70-W82 HydrophobicContact CB-CZ2 3.58Å; C70-G108 CarbonylContact C-O 3.3Å; C70-G108 PolarHBondContact N-O 3.26Å; C70-G108 CarbonylContact O-C 3.56Å; C70-G108 VanDerWaalsContact O-CA 3.24Å; C70-G108 WeakPolarHBondContact O-CA 3.13Å; C70-C125 HydrophobicContact CB-CB 3.64Å; C70-C125 WeakPolarHBondContact CB-SG 3.47Å; C70-C125 WeakPolarHBondContact SG-CB 3.48Å; C70-C125 CovalentContact SG-SG 2.03Å; C70-C125 PolarHBondContact SG-SG 2.84Å
71R91.3Very high89.2Confident151 Ų15161.6 Ų61.657%0.5734%0.339SS*.EExtended strand (participates in β ladder)trans-123.6146.9177-61.8-176.6-158-119.8-0.3111L51 T52 E53L51-R71 CarbonylContact C-O 3.36Å; L51-R71 WeakPolarHBondContact CA-O 3.17Å; T52-R71 PolarHBondContact N-O 3.4Å; T52-R71 PolarHBondContact OG1-O 3.34Å; E53-R71 HydrophobicContact CB-CB 3.78Å; E53-R71 HydrophobicContact CB-CG 3.95Å; E53-R71 PolarHBondContact N-O 2.9Å; E53-R71 PolarHBondContact O-N 2.95Å; E53-R71 VanDerWaalsContact OE2-CD 3.3Å; E53-R71 WeakPolarHBondContact OE2-CD 3.46Å; E53-R71 WeakPolarHBondContact OE2-CG 3.23Å; E53-R71 IonicContact OE2-CZ 3.78Å; E53-R71 IonicContact OE2-NE 3.17Å; E53-R71 PolarHBondContact OE2-NE 3.03Å; E53-R71 IonicContact OE2-NH2 3.91Å
72A92.1Very high89.4Confident20 Ų2058.2 Ų58.217%0.16532%0.322CS..EExtended strand (participates in β ladder)trans-137.4144.6178.900000111.7Q50 L51 P78 V80 A127Q50-A72 CarbonylContact O-C 3.41Å; Q50-A72 WeakPolarHBondContact O-CA 3.49Å; L51-A72 HydrophobicContact CD2-CB 3.97Å; A72-P78 HydrophobicContact CB-CB 4.47Å; A72-P78 HydrophobicContact CB-CG 3.66Å; A72-V80 HydrophobicContact CB-CG2 4.32Å; A72-A127 HydrophobicContact CB-CB 3.35Å
73T92.4Very high89.6Confident67 Ų6760.8 Ų60.841%0.41133%0.329SS..EExtended strand (participates in β ladder)trans-106.2156.616750.20000109.9P49 Q50 T52P49-T73 CarbonylContact C-O 3.58Å; P49-T73 VanDerWaalsContact CA-O 3.24Å; P49-T73 WeakPolarHBondContact CA-O 2.99Å; Q50-T73 PolarHBondContact N-O 2.89Å; Q50-T73 PolarHBondContact O-N 3.03Å; T52-T73 HydrophobicContact CG2-CG2 3.75Å
74G90.4Very high89.9Confident12 Ų1260.1 Ų60.112%0.12431%0.312CS..EExtended strand (participates in β ladder)trans175.8162.8-17900000111H47 P76H47-G74 WeakPolarHBondContact NE2-CA 3.31Å; G74-P76 CarbonylContact C-O 3.53Å; G74-P76 CarbonylContact O-C 3.57Å
75R88.8Confident90Very high127 Ų12754.8 Ų54.848%0.47930%0.304SS..EExtended strand (participates in β ladder)trans-130.9118.5171.7-73.1-170.9179.4-132.2-2.7110.9E20 G46 H47 F131E20-R75 VanDerWaalsContact CD-NH1 3.27Å; E20-R75 VanDerWaalsContact OE1-CD 3.29Å; E20-R75 WeakPolarHBondContact OE1-CD 3.39Å; E20-R75 IonicContact OE1-CZ 3.97Å; E20-R75 IonicContact OE1-NE 2.82Å; E20-R75 IonicContact OE1-NH1 2.9Å; E20-R75 PolarHBondContact OE1-NH1 2.82Å; E20-R75 IonicContact OE2-CZ 2.72Å; E20-R75 IonicContact OE2-NH1 3.23Å; E20-R75 PolarHBondContact OE2-NH1 2.9Å; E20-R75 VanDerWaalsContact OE2-NH1 3.08Å; G46-R75 WeakPolarHBondContact CA-O 3.42Å; H47-R75 PolarHBondContact N-O 2.84Å; H47-R75 PolarHBondContact O-N 2.93Å; R75-F131 WeakPolarHBondContact O-CD2 3.41Å; R75-F131 VanDerWaalsContact O-CE2 3.29Å; R75-F131 WeakPolarHBondContact O-CE2 3.35Å
76P89.6Confident90Very high67 Ų6754.7 Ų54.744%0.43530%0.297SS..SBendcis-52.2160-13.1-27.334.5000114G74 N129 V130G74-P76 CarbonylContact C-O 3.53Å; G74-P76 CarbonylContact O-C 3.57Å; P76-N129 WeakPolarHBondContact O-CB 3.47Å; P76-N129 PolarHBondContact O-ND2 3.4Å; P76-V130 HydrophobicContact CG-CG2 4.43Å
77P90.5Very high89.8Confident111 Ų11157.3 Ų57.372%0.72133%0.326SS*.PPolyproline II helixtrans-50.9134.5176.3-28.136.1000112
78P90.7Very high89.4Confident13 Ų1358.6 Ų58.68%0.08433%0.329CS..PPolyproline II helixtrans-79.8139.1-176.831.9-34.5000112P49 A72 V80 A127 R128 N129P49-P78 HydrophobicContact CB-CB 3.75Å; P49-P78 HydrophobicContact CB-CG 4.14Å; P49-P78 HydrophobicContact CG-CB 3.79Å; A72-P78 HydrophobicContact CB-CB 4.47Å; A72-P78 HydrophobicContact CB-CG 3.66Å; P78-V80 PolarHBondContact O-N 2.81Å; P78-A127 HydrophobicContact CB-CB 4.34Å; P78-R128 CarbonylContact C-O 3.6Å; P78-R128 VanDerWaalsContact CA-O 3.31Å; P78-R128 WeakPolarHBondContact CA-O 3.3Å; P78-N129 HydrophobicContact CB-CB 4.45Å
79T90.5Very high88.9Confident98 Ų9863.4 Ų63.460%0.60136%0.361SS*.EExtended strand (participates in β ladder)trans-73.9123165-49.60000108.5T81 A127 R128T79-T81 HydrophobicContact CG2-CG2 4.18Å; T79-A127 WeakPolarHBondContact O-CA 3.37Å; T79-R128 PolarHBondContact N-O 2.86Å; T79-R128 PolarHBondContact O-N 2.81Å
80V89.7Confident88.4Confident26 Ų2665.6 Ų65.616%0.15837%0.37CS..EExtended strand (participates in β ladder)trans-88.8133.9170.9-178.50000109.3A72 P78 A127A72-V80 HydrophobicContact CB-CG2 4.32Å; P78-V80 PolarHBondContact O-N 2.81Å; V80-A127 HydrophobicContact CG2-CB 4.17Å
81T90.1Very high87Confident65 Ų6567.5 Ų67.540%0.39939%0.389SS..EExtended strand (participates in β ladder)trans-136.4154.9178.457.50000110.5T79 C125 E126T79-T81 HydrophobicContact CG2-CG2 4.18Å; T81-C125 CarbonylContact O-C 3.21Å; T81-C125 WeakPolarHBondContact O-CA 3.29Å; T81-E126 PolarHBondContact N-O 2.66Å; T81-E126 PolarHBondContact O-N 2.78Å; T81-E126 PolarHBondContact OG1-O 2.89Å
82W90.2Very high85.2Confident33 Ų3369.3 Ų69.313%0.12541%0.409CS..EExtended strand (participates in β ladder)trans-119.4151.7177.9-75.396.2000110.8P55 L68 C70 L90 L110 V124 C125P55-W82 HydrophobicContact CB-CH2 3.74Å; P55-W82 HydrophobicContact CG-CH2 4.24Å; L68-W82 HydrophobicContact CB-CH2 3.56Å; L68-W82 HydrophobicContact CB-CZ2 4.01Å; L68-W82 HydrophobicContact CB-CZ3 4.18Å; L68-W82 HydrophobicContact CD1-CH2 4.44Å; L68-W82 HydrophobicContact CD1-CZ3 4.27Å; L68-W82 VanDerWaalsContact O-CZ2 3.31Å; L68-W82 WeakPolarHBondContact O-CZ2 3.4Å; C70-W82 HydrophobicContact CB-CH2 4.15Å; C70-W82 HydrophobicContact CB-CZ2 3.58Å; W82-L90 HydrophobicContact CB-CD1 4.02Å; W82-L90 VanDerWaalsContact O-CD1 3.23Å; W82-L90 WeakPolarHBondContact O-CD1 3.45Å; W82-L110 HydrophobicContact CB-CD1 4.48Å; W82-L110 HydrophobicContact CB-CD2 4.39Å; W82-L110 HydrophobicContact CD2-CB 3.83Å; W82-L110 HydrophobicContact CD2-CD2 4.3Å; W82-L110 HydrophobicContact CE3-CB 4.41Å; W82-L110 HydrophobicContact CE3-CD2 4.25Å; W82-L110 HydrophobicContact CG-CB 3.91Å; W82-L110 HydrophobicContact CG-CD2 4.39Å; W82-L110 HydrophobicContact CZ2-CB 4.35Å; W82-V124 WeakPolarHBondContact CA-O 3.41Å; W82-C125 HydrophobicContact CD2-CB 4.3Å; W82-C125 HydrophobicContact CE3-CB 4.12Å; W82-C125 HydrophobicContact CH2-CB 4.02Å; W82-C125 HydrophobicContact CZ2-CB 4.16Å; W82-C125 HydrophobicContact CZ3-CB 3.98Å
83R89.3Confident83.3Confident95 Ų9576.9 Ų76.936%0.35843%0.433SS..EExtended strand (participates in β ladder)trans-149.4162.5166.661177.6178.1-101.4-1.7110.2Y123 V124 E126R83-Y123 WeakPolarHBondContact O-CA 3.42Å; R83-V124 HydrophobicContact CG-CB 4.03Å; R83-V124 PolarHBondContact N-O 3.37Å; R83-V124 PolarHBondContact O-N 2.89Å; R83-E126 IonicContact CZ-OE2 3.11Å; R83-E126 IonicContact NH1-OE2 3.91Å; R83-E126 PolarHBondContact NH1-OE2 2.93Å; R83-E126 IonicContact NH2-OE2 3.61Å
84R90.8Very high81.5Confident32 Ų3274.9 Ų74.912%0.12142%0.42CS..EExtended strand (participates in β ladder)trans-76.3143.4165.9-58.5175.762.7122.4-11.2109.4D86 L90 E118 Y123R84-D86 VanDerWaalsContact C-N 3.3Å; R84-D86 WeakPolarHBondContact CB-OD1 3.39Å; R84-D86 IonicContact CZ-OD2 3.63Å; R84-D86 VanDerWaalsContact CZ-OD2 3.23Å; R84-D86 IonicContact NE-OD1 3.86Å; R84-D86 PolarHBondContact NE-OD1 2.86Å; R84-D86 IonicContact NE-OD2 2.69Å; R84-D86 PolarHBondContact NE-OD2 2.98Å; R84-D86 IonicContact NH2-OD2 3.62Å; R84-D86 PolarHBondContact NH2-OD2 2.85Å; R84-L90 HydrophobicContact CG-CD2 3.83Å; R84-E118 PolarHBondContact NH1-O 3.41Å; R84-E118 PolarHBondContact NH2-O 2.92Å; R84-Y123 HydrophobicContact CG-CD1 4.17Å; R84-Y123 HydrophobicContact CG-CE1 3.68Å; R84-Y123 PolarHBondContact NH1-OH 2.88Å
85G88.8Confident79.4Confident39 Ų3976.2 Ų76.240%0.40243%0.434SS..THydrogen-bonded Turntrans-76.4-17.7174.100000113.3G87 P122G85-G87 PolarHBondContact O-N 3.03Å; G85-P122 PolarHBondContact N-O 2.04Å
86D87.3Confident77.4Confident70 Ų7074 Ų7437%0.37444%0.442SS..THydrogen-bonded Turntrans-78.1-0.5174.565.212.8000114.1R84 Q88R84-D86 VanDerWaalsContact C-N 3.3Å; R84-D86 WeakPolarHBondContact CB-OD1 3.39Å; R84-D86 IonicContact CZ-OD2 3.63Å; R84-D86 VanDerWaalsContact CZ-OD2 3.23Å; R84-D86 IonicContact NE-OD1 3.86Å; R84-D86 PolarHBondContact NE-OD1 2.86Å; R84-D86 IonicContact NE-OD2 2.69Å; R84-D86 PolarHBondContact NE-OD2 2.98Å; R84-D86 IonicContact NH2-OD2 3.62Å; R84-D86 PolarHBondContact NH2-OD2 2.85Å; D86-Q88 VanDerWaalsContact C-N 3.25Å; D86-Q88 PolarHBondContact O-N 2.94Å; D86-Q88 VanDerWaalsContact OD1-CB 3.29Å; D86-Q88 WeakPolarHBondContact OD1-CB 3.4Å; D86-Q88 PolarHBondContact OD1-N 3.22Å
87G82.9Confident75.1Confident65 Ų6573.8 Ų73.867%0.6745%0.453SS*.SBendtrans77.1-0.9-179.300000115.3G85G85-G87 PolarHBondContact O-N 3.03Å
88Q82.3Confident73Confident121 Ų12180.3 Ų80.357%0.56546%0.463SS*.PPolyproline II helixtrans-73.5151.1173.4-65.9-61.5-49.900111.3D86D86-Q88 VanDerWaalsContact C-N 3.25Å; D86-Q88 PolarHBondContact O-N 2.94Å; D86-Q88 VanDerWaalsContact OD1-CB 3.29Å; D86-Q88 WeakPolarHBondContact OD1-CB 3.4Å; D86-Q88 PolarHBondContact OD1-N 3.22Å
89P79.6Confident70.3Confident104 Ų10483.6 Ų83.668%0.67550%0.499SS*.PPolyproline II helixtrans-62.2148.9172.727.5-34.9000111.1G91P89-G91 PolarHBondContact O-N 3.01Å
90L78.3Confident67.4Low62 Ų6284.2 Ų84.233%0.32551%0.507SS..PPolyproline II helixtrans-64.4123.9166.7-71.9175000108.9W82 R84 L94 L110 Y123W82-L90 HydrophobicContact CB-CD1 4.02Å; W82-L90 VanDerWaalsContact O-CD1 3.23Å; W82-L90 WeakPolarHBondContact O-CD1 3.45Å; R84-L90 HydrophobicContact CG-CD2 3.83Å; L90-L94 HydrophobicContact CB-CD1 3.83Å; L90-L94 HydrophobicContact CD2-CD1 3.67Å; L90-L94 HydrophobicContact CG-CD1 4.3Å; L90-L110 HydrophobicContact CD2-CD2 4.26Å; L90-Y123 HydrophobicContact CD2-CD1 3.98Å; L90-Y123 HydrophobicContact CD2-CE1 3.71Å
91G62.8Low64.8Low39 Ų3995 Ų9540%0.40255%0.545SS..PPolyproline II helixtrans-65.9149.4-175.300000113.6P89 R93 L94P89-G91 PolarHBondContact O-N 3.01Å; G91-R93 PolarHBondContact O-N 3.18Å; G91-L94 WeakPolarHBondContact O-CB 3.29Å; G91-L94 WeakPolarHBondContact O-CG 3.41Å; G91-L94 PolarHBondContact O-N 3.01Å
92L52.4Low61.9Low190 Ų19096.8 Ų96.8100%0.99556%0.56SS**THydrogen-bonded Turntrans-61-11.8-176.3-68.2166.6000115.2
93R51.9Low59.1Low179 Ų179106.9 Ų106.968%0.67560%0.598SS**THydrogen-bonded Turntrans-83.4-7.1174.6-59.3-176.4-171.2134.60.2113.5G91 G95 E118G91-R93 PolarHBondContact O-N 3.18Å; R93-G95 PolarHBondContact O-N 2.84Å; R93-E118 IonicContact CZ-OE1 2.56Å; R93-E118 IonicContact NH1-OE1 3.08Å; R93-E118 PolarHBondContact NH1-OE1 3.17Å
94L54.9Low56.7Low25 Ų25109.7 Ų109.713%0.13162%0.615CS.*BIsolated β-bridgetrans-81.8114.9-176-66169000110.6L90 G91 A96 L110 F112L90-L94 HydrophobicContact CB-CD1 3.83Å; L90-L94 HydrophobicContact CD2-CD1 3.67Å; L90-L94 HydrophobicContact CG-CD1 4.3Å; G91-L94 WeakPolarHBondContact O-CB 3.29Å; G91-L94 WeakPolarHBondContact O-CG 3.41Å; G91-L94 PolarHBondContact O-N 3.01Å; L94-A96 VanDerWaalsContact C-N 3.32Å; L94-A96 PolarHBondContact O-N 3.3Å; L94-L110 HydrophobicContact CB-CD1 4.25Å; L94-L110 HydrophobicContact CD1-CD1 4.35Å; L94-L110 HydrophobicContact CD2-CD1 4.4Å; L94-F112 HydrophobicContact CD2-CD1 3.39Å; L94-F112 HydrophobicContact CD2-CD2 4.45Å; L94-F112 HydrophobicContact CD2-CE1 3.47Å; L94-F112 VanDerWaalsContact CD2-CE1 3.47Å; L94-F112 HydrophobicContact CD2-CG 3.9Å; L94-F112 HydrophobicContact CD2-CZ 4.05Å
95G45.2Very low54.3Low40 Ų40114.8 Ų114.841%0.41265%0.652SS.*  trans-74.174.6-172.400000113.4R93 G97 F111R93-G95 PolarHBondContact O-N 2.84Å; G95-G97 PolarHBondContact O-N 3.22Å; G95-F111 PolarHBondContact N-O 2.81Å
96A47.3Very low52.7Low79 Ų79118.7 Ų118.765%0.65366%0.664SS**SBendtrans-71.167.4167.300000111.4L94 R98L94-A96 VanDerWaalsContact C-N 3.32Å; L94-A96 PolarHBondContact O-N 3.3Å; A96-R98 PolarHBondContact O-N 3.01Å
97G42.7Very low51.4Low64 Ų64118.2 Ų118.266%0.6667%0.666SS**SBendtrans67.126.6161.700000117.7G95G95-G97 PolarHBondContact O-N 3.22Å
98R45.4Very low51.2Low248 Ų248115.6 Ų115.694%0.93664%0.639SS**  trans-120.879.8176.5-69.1-170.2178.4-128.70.4112.6A96A96-R98 PolarHBondContact O-N 3.01Å
99G33.7Very low51.3Low81 Ų81112.4 Ų112.484%0.83563%0.628SS**SBendtrans-175.4-16.3177.100000120.9
100S29.3Very low51.7Low111 Ų111108 Ų10878%0.77660%0.598SS**SBendtrans-152.3165.7177-162.80000113.9S102S100-S102 PolarHBondContact O-N 3.27Å
101R35Very low52Low254 Ų254108.9 Ų108.996%0.95860%0.6SS**SBendtrans-72.465.9-160.2-59.5-178.9178.8-169.20115.2
102S29.1Very low53.1Low101 Ų101107.2 Ų107.271%0.70658%0.581SS**  trans-125.1146.7157.774.50000111.1S100S100-S102 PolarHBondContact O-N 3.27Å
103R32.9Very low54.6Low245 Ų245105.3 Ų105.393%0.92557%0.568SS**  trans-106.672.2-174.6-173.9-165.1-100.4-158.6-5.1110.1
104Q37.6Very low56.1Low155 Ų155100 Ų10072%0.72456%0.558SS**  trans-150.7121.6176.3-116.6161-27.700111.9D106Q104-D106 PolarHBondContact O-N 2.91Å
105P41.9Very low57.6Low138 Ų13898.9 Ų98.990%0.89655%0.552SS**SBendtrans-76.19176.1-15.831.7000115S107P105-S107 PolarHBondContact O-N 3.45Å
106D54.5Low59.5Low121 Ų12197.5 Ų97.565%0.64754%0.537SS*.  trans-107.950.2-156.3-157.721000112Q104 G108Q104-D106 PolarHBondContact O-N 2.91Å; D106-G108 PolarHBondContact O-N 2.93Å; D106-G108 VanDerWaalsContact O-N 3.07Å
107S59.8Low61.1Low61 Ų6195.3 Ų95.343%0.42752%0.516SS..  trans-83.281.7-174.3640000112P105 V109P105-S107 PolarHBondContact O-N 3.45Å; S107-V109 PolarHBondContact O-N 2.76Å
108G78Confident62.9Low10 Ų1096.9 Ų96.910%0.10351%0.506CS..  trans-63.61416500000114.8C70 D106C70-G108 CarbonylContact C-O 3.3Å; C70-G108 PolarHBondContact N-O 3.26Å; C70-G108 CarbonylContact O-C 3.56Å; C70-G108 VanDerWaalsContact O-CA 3.24Å; C70-G108 WeakPolarHBondContact O-CA 3.13Å; D106-G108 PolarHBondContact O-N 2.93Å; D106-G108 VanDerWaalsContact O-N 3.07Å
109V85.9Confident64.8Low53 Ų5386 Ų8632%0.32147%0.467SS..EExtended strand (participates in β ladder)trans-122.1128.5-174.5-178.30000109.6L67 L68 A69 S107L67-V109 HydrophobicContact CB-CG1 3.87Å; L67-V109 HydrophobicContact CD1-CG1 4.08Å; L68-V109 CarbonylContact O-C 3.54Å; L68-V109 VanDerWaalsContact O-CA 3.29Å; L68-V109 WeakPolarHBondContact O-CA 3.35Å; A69-V109 HydrophobicContact CB-CG2 4.17Å; S107-V109 PolarHBondContact O-N 2.76Å
110L86.8Confident67.5Low11 Ų1186.5 Ų86.56%0.05845%0.447CS..EExtended strand (participates in β ladder)trans-92.7118.5166.7-177.664000108.7L67 L68 W82 L90 L94 F112 Y123L67-L110 VanDerWaalsContact CA-O 3.3Å; L67-L110 WeakPolarHBondContact CA-O 3.13Å; L68-L110 HydrophobicContact CB-CB 4.49Å; L68-L110 PolarHBondContact N-O 3.15Å; L68-L110 PolarHBondContact O-N 2.9Å; W82-L110 HydrophobicContact CB-CD1 4.48Å; W82-L110 HydrophobicContact CB-CD2 4.39Å; W82-L110 HydrophobicContact CD2-CB 3.83Å; W82-L110 HydrophobicContact CD2-CD2 4.3Å; W82-L110 HydrophobicContact CE3-CB 4.41Å; W82-L110 HydrophobicContact CE3-CD2 4.25Å; W82-L110 HydrophobicContact CG-CB 3.91Å; W82-L110 HydrophobicContact CG-CD2 4.39Å; W82-L110 HydrophobicContact CZ2-CB 4.35Å; L90-L110 HydrophobicContact CD2-CD2 4.26Å; L94-L110 HydrophobicContact CB-CD1 4.25Å; L94-L110 HydrophobicContact CD1-CD1 4.35Å; L94-L110 HydrophobicContact CD2-CD1 4.4Å; L110-F112 HydrophobicContact CD2-CE2 3.98Å; L110-F112 HydrophobicContact CD2-CZ 3.85Å; L110-F112 HydrophobicContact CG-CE2 3.94Å; L110-F112 HydrophobicContact CG-CZ 4.21Å; L110-Y123 HydrophobicContact CD2-CD1 3.31Å; L110-Y123 HydrophobicContact CD2-CE1 3.67Å; L110-Y123 HydrophobicContact CD2-CG 4.09Å
111F85.8Confident70.4Confident82 Ų8281.5 Ų81.536%0.3641%0.413SS..EExtended strand (participates in β ladder)trans-110.3133.7-176.9-178.5-104.5000112.3A66 L67 G95 E113A66-F111 WeakPolarHBondContact O-CD2 3.31Å; L67-F111 HydrophobicContact CB-CD2 4.2Å; G95-F111 PolarHBondContact N-O 2.81Å; F111-E113 HydrophobicContact CE1-CB 3.96Å; F111-E113 HydrophobicContact CE1-CG 4.48Å
112F85.5Confident73.2Confident3 Ų371.1 Ų71.11%0.01338%0.378CS..EExtended strand (participates in β ladder)trans-110116174.2-57-105.5000107.5S65 A66 L68 L94 L110 V115 D119 Y123 L140S65-F112 CarbonylContact C-O 3.53Å; S65-F112 WeakPolarHBondContact CA-O 3.48Å; S65-F112 VanDerWaalsContact CB-O 3.28Å; S65-F112 WeakPolarHBondContact CB-O 3.37Å; A66-F112 HydrophobicContact CB-CB 4.19Å; A66-F112 HydrophobicContact CB-CD2 4.17Å; A66-F112 HydrophobicContact CB-CG 4.43Å; A66-F112 PolarHBondContact N-O 2.92Å; A66-F112 PolarHBondContact O-N 3.49Å; L68-F112 HydrophobicContact CD1-CE2 4.35Å; L68-F112 HydrophobicContact CG-CE2 4.4Å; L94-F112 HydrophobicContact CD2-CD1 3.39Å; L94-F112 HydrophobicContact CD2-CD2 4.45Å; L94-F112 HydrophobicContact CD2-CE1 3.47Å; L94-F112 VanDerWaalsContact CD2-CE1 3.47Å; L94-F112 HydrophobicContact CD2-CG 3.9Å; L94-F112 HydrophobicContact CD2-CZ 4.05Å; L110-F112 HydrophobicContact CD2-CE2 3.98Å; L110-F112 HydrophobicContact CD2-CZ 3.85Å; L110-F112 HydrophobicContact CG-CE2 3.94Å; L110-F112 HydrophobicContact CG-CZ 4.21Å; F112-V115 HydrophobicContact CB-CG2 3.62Å; F112-V115 HydrophobicContact CD1-CG2 4.42Å; F112-V115 HydrophobicContact CG-CG2 4.16Å; F112-D119 HydrophobicContact CD1-CB 4.09Å; F112-D119 HydrophobicContact CE1-CB 3.95Å; F112-Y123 HydrophobicContact CE1-CE1 4.26Å; F112-Y123 HydrophobicContact CE1-CE2 4.37Å; F112-Y123 AromaticContact CE1-CZ 3.79Å; F112-Y123 WeakPolarHBondContact CE1-OH 3.29Å; F112-Y123 HydrophobicContact CZ-CD1 4.38Å; F112-Y123 HydrophobicContact CZ-CD2 4.45Å; F112-Y123 AromaticContact CZ-CE1 3.79Å; F112-Y123 HydrophobicContact CZ-CE1 3.79Å; F112-Y123 AromaticContact CZ-CE2 3.91Å; F112-Y123 HydrophobicContact CZ-CE2 3.91Å; F112-Y123 AromaticContact CZ-CZ 3.56Å; F112-L140 HydrophobicContact CD1-CD2 3.84Å; F112-L140 HydrophobicContact CD2-CD2 4.34Å; F112-L140 HydrophobicContact CE1-CD2 3.57Å; F112-L140 HydrophobicContact CE2-CD2 4.12Å; F112-L140 HydrophobicContact CG-CD2 4.24Å; F112-L140 HydrophobicContact CZ-CD2 3.74Å
113E83.3Confident76.3Confident150 Ų15066.3 Ų66.370%0.70135%0.345SS*.SBendtrans-72.5-41.3-178.9-175.9173-153.700112.2S65 F111S65-E113 WeakPolarHBondContact CA-O 3.41Å; S65-E113 WeakPolarHBondContact CB-O 3.41Å; F111-E113 HydrophobicContact CE1-CB 3.96Å; F111-E113 HydrophobicContact CE1-CG 4.48Å
114S83.5Confident79.2Confident67 Ų6755.3 Ų55.347%0.46931%0.305SS..SBendtrans-147.6106.8175.5157.10000108.3R64R64-S114 WeakPolarHBondContact O-CA 3.41Å
115V86.4Confident81.8Confident2 Ų248 Ų481%0.01227%0.27CS..  trans-69.2129.2-174.7173.50000111.6V60 G63 R64 A66 F112 D119 L140 V142V60-V115 HydrophobicContact CG1-CB 4.36Å; V60-V115 HydrophobicContact CG1-CG1 4.01Å; V60-V115 HydrophobicContact CG1-CG2 4.05Å; V60-V115 HydrophobicContact CG2-CG2 4.48Å; G63-V115 PolarHBondContact N-O 3.29Å; R64-V115 WeakPolarHBondContact O-CB 3.4Å; R64-V115 WeakPolarHBondContact O-CG2 3.22Å; R64-V115 PolarHBondContact O-N 2.76Å; A66-V115 HydrophobicContact CB-CG2 3.66Å; F112-V115 HydrophobicContact CB-CG2 3.62Å; F112-V115 HydrophobicContact CD1-CG2 4.42Å; F112-V115 HydrophobicContact CG-CG2 4.16Å; V115-D119 HydrophobicContact CG1-CB 4.27Å; V115-L140 HydrophobicContact CG1-CD2 4.03Å; V115-L140 HydrophobicContact CG2-CD2 4.25Å; V115-V142 HydrophobicContact CG1-CB 4.29Å; V115-V142 HydrophobicContact CG1-CG1 3.87Å; V115-V142 HydrophobicContact CG1-CG2 3.48Å; V115-V142 VanDerWaalsContact CG1-CG2 3.48Å
116A84.2Confident84.2Confident12 Ų1242.4 Ų42.410%0.09923%0.232CC..  trans-112.2164.9-176.500000112.6E118 D119A116-E118 HydrophobicContact CB-CG 4.09Å; A116-E118 WeakPolarHBondContact CB-OE1 3.46Å; A116-E118 WeakPolarHBondContact CB-OE2 3.47Å; A116-E118 PolarHBondContact O-N 3.09Å; A116-E118 VanDerWaalsContact O-N 3.12Å; A116-D119 PolarHBondContact N-OD2 2.97Å; A116-D119 PolarHBondContact O-N 2.9Å
117P80.9Confident86.1Confident32 Ų3236.7 Ų36.721%0.20820%0.202CC..G310 helixtrans-50-33.7175.3-32.139.4000115.2L62 A146 R175L62-P117 HydrophobicContact CD2-CG 3.8Å; P117-A146 HydrophobicContact CG-CB 4.36Å; P117-R175 HydrophobicContact CB-CG 4.13Å; P117-R175 HydrophobicContact CG-CG 4.38Å; P117-R175 PolarHBondContact O-NE 2.96Å; P117-R175 PolarHBondContact O-NH2 2.86Å
118E82.1Confident87.7Confident98 Ų9841.2 Ų41.246%0.45821%0.209SC..G310 helixtrans-78.2-13.2-178.958.3-91.9-150.700114.8R84 R93 A116R84-E118 PolarHBondContact NH1-O 3.41Å; R84-E118 PolarHBondContact NH2-O 2.92Å; R93-E118 IonicContact CZ-OE1 2.56Å; R93-E118 IonicContact NH1-OE1 3.08Å; R93-E118 PolarHBondContact NH1-OE1 3.17Å; A116-E118 HydrophobicContact CB-CG 4.09Å; A116-E118 WeakPolarHBondContact CB-OE1 3.46Å; A116-E118 WeakPolarHBondContact CB-OE2 3.47Å; A116-E118 PolarHBondContact O-N 3.09Å; A116-E118 VanDerWaalsContact O-N 3.12Å
119D85Confident88.4Confident20 Ų2041.6 Ų41.611%0.10721%0.209CC..G310 helixtrans-83.9-7-179.3-65.9-46.1000113.6F112 V115 A116 A121 Y123 L140F112-D119 HydrophobicContact CD1-CB 4.09Å; F112-D119 HydrophobicContact CE1-CB 3.95Å; V115-D119 HydrophobicContact CG1-CB 4.27Å; A116-D119 PolarHBondContact N-OD2 2.97Å; A116-D119 PolarHBondContact O-N 2.9Å; D119-A121 PolarHBondContact O-N 2.85Å; D119-Y123 WeakPolarHBondContact O-CE2 3.36Å; D119-Y123 PolarHBondContact O-OH 2.87Å; D119-Y123 VanDerWaalsContact O-OH 3.09Å; D119-L140 HydrophobicContact CB-CD2 3.91Å
120Q89.1Confident88.7Confident90 Ų9044.5 Ų44.542%0.42123%0.227SC..  trans-71.4100.6176.5-172.5-179.3-500111.2L140 V142 R175Q120-L140 WeakPolarHBondContact CG-O 3.35Å; Q120-V142 HydrophobicContact CB-CB 4.2Å; Q120-V142 HydrophobicContact CB-CG2 3.81Å; Q120-R175 VanDerWaalsContact OE1-CZ 3.25Å
121A90.8Very high88.9Confident7 Ų747.5 Ų47.56%0.05824%0.24CC..SBendtrans-155164.417800000112.2D119 Y123 L140D119-A121 PolarHBondContact O-N 2.85Å; A121-Y123 HydrophobicContact CB-CD2 4.4Å; A121-Y123 HydrophobicContact CB-CE2 3.83Å; A121-Y123 VanDerWaalsContact O-CD2 3.24Å; A121-Y123 WeakPolarHBondContact O-CD2 3.02Å; A121-Y123 WeakPolarHBondContact O-CE2 3.44Å; A121-L140 PolarHBondContact O-N 2.88Å
122P94.8Very high89.2Confident36 Ų3644.9 Ų44.923%0.23424%0.236CC..EExtended strand (participates in β ladder)trans-65.7141.1153.829.7-33.7000110.4G85 E137 R139G85-P122 PolarHBondContact N-O 2.04Å; P122-E137 VanDerWaalsContact CB-CD 3.45Å; P122-E137 HydrophobicContact CB-CG 3.86Å; P122-E137 VanDerWaalsContact CB-OE1 3.3Å; P122-E137 WeakPolarHBondContact CB-OE1 3.24Å; P122-R139 HydrophobicContact CB-CG 4.48Å
123Y92.9Very high89.7Confident0 Ų051.2 Ų51.20%026%0.263CS..EExtended strand (participates in β ladder)trans-125.2126.2175.7-73.3-93.6000109.1L68 R83 R84 L90 L110 F112 D119 A121 E137 A138 L140L68-Y123 HydrophobicContact CD1-CD2 3.97Å; L68-Y123 HydrophobicContact CD1-CG 3.88Å; R83-Y123 WeakPolarHBondContact O-CA 3.42Å; R84-Y123 HydrophobicContact CG-CD1 4.17Å; R84-Y123 HydrophobicContact CG-CE1 3.68Å; R84-Y123 PolarHBondContact NH1-OH 2.88Å; L90-Y123 HydrophobicContact CD2-CD1 3.98Å; L90-Y123 HydrophobicContact CD2-CE1 3.71Å; L110-Y123 HydrophobicContact CD2-CD1 3.31Å; L110-Y123 HydrophobicContact CD2-CE1 3.67Å; L110-Y123 HydrophobicContact CD2-CG 4.09Å; F112-Y123 HydrophobicContact CE1-CE1 4.26Å; F112-Y123 HydrophobicContact CE1-CE2 4.37Å; F112-Y123 AromaticContact CE1-CZ 3.79Å; F112-Y123 WeakPolarHBondContact CE1-OH 3.29Å; F112-Y123 HydrophobicContact CZ-CD1 4.38Å; F112-Y123 HydrophobicContact CZ-CD2 4.45Å; F112-Y123 AromaticContact CZ-CE1 3.79Å; F112-Y123 HydrophobicContact CZ-CE1 3.79Å; F112-Y123 AromaticContact CZ-CE2 3.91Å; F112-Y123 HydrophobicContact CZ-CE2 3.91Å; F112-Y123 AromaticContact CZ-CZ 3.56Å; D119-Y123 WeakPolarHBondContact O-CE2 3.36Å; D119-Y123 PolarHBondContact O-OH 2.87Å; D119-Y123 VanDerWaalsContact O-OH 3.09Å; A121-Y123 HydrophobicContact CB-CD2 4.4Å; A121-Y123 HydrophobicContact CB-CE2 3.83Å; A121-Y123 VanDerWaalsContact O-CD2 3.24Å; A121-Y123 WeakPolarHBondContact O-CD2 3.02Å; A121-Y123 WeakPolarHBondContact O-CE2 3.44Å; Y123-E137 WeakPolarHBondContact O-CA 3.49Å; Y123-A138 PolarHBondContact N-O 2.89Å; Y123-A138 PolarHBondContact O-N 3.4Å; Y123-L140 HydrophobicContact CD2-CB 4.19Å; Y123-L140 HydrophobicContact CE2-CB 3.91Å
124V94.1Very high90.3Very high14 Ų1446.1 Ų46.19%0.08524%0.242CC..EExtended strand (participates in β ladder)trans-105.6120.2-177.9-176.10000109.3W82 R83 Q135 A136 E137W82-V124 WeakPolarHBondContact CA-O 3.41Å; R83-V124 HydrophobicContact CG-CB 4.03Å; R83-V124 PolarHBondContact N-O 3.37Å; R83-V124 PolarHBondContact O-N 2.89Å; V124-Q135 HydrophobicContact CG1-CB 4.22Å; V124-Q135 HydrophobicContact CG1-CG 4.48Å; V124-A136 WeakPolarHBondContact CA-O 3.45Å; V124-E137 HydrophobicContact CG2-CB 4.26Å; V124-E137 HydrophobicContact CG2-CG 4.22Å
125C92.8Very high90.8Very high0 Ų047 Ų470%024%0.239CC..EExtended strand (participates in β ladder)trans-79.9132.8163.6176.20000109.1C70 T81 W82 Q135 A136C70-C125 HydrophobicContact CB-CB 3.64Å; C70-C125 WeakPolarHBondContact CB-SG 3.47Å; C70-C125 WeakPolarHBondContact SG-CB 3.48Å; C70-C125 CovalentContact SG-SG 2.03Å; C70-C125 PolarHBondContact SG-SG 2.84Å; T81-C125 CarbonylContact O-C 3.21Å; T81-C125 WeakPolarHBondContact O-CA 3.29Å; W82-C125 HydrophobicContact CD2-CB 4.3Å; W82-C125 HydrophobicContact CE3-CB 4.12Å; W82-C125 HydrophobicContact CH2-CB 4.02Å; W82-C125 HydrophobicContact CZ2-CB 4.16Å; W82-C125 HydrophobicContact CZ3-CB 3.98Å; C125-Q135 WeakPolarHBondContact O-CA 3.48Å; C125-A136 PolarHBondContact N-O 2.81Å; C125-A136 PolarHBondContact O-N 3.41Å; C125-A136 VanDerWaalsContact O-N 3.11Å
126E93.1Very high91.3Very high22 Ų2247.7 Ų47.710%0.10325%0.245CC..EExtended strand (participates in β ladder)trans-122.5120.7165.9179.2169.1145.300109.8T81 R83 K133 V134 Q135T81-E126 PolarHBondContact N-O 2.66Å; T81-E126 PolarHBondContact O-N 2.78Å; T81-E126 PolarHBondContact OG1-O 2.89Å; R83-E126 IonicContact CZ-OE2 3.11Å; R83-E126 IonicContact NH1-OE2 3.91Å; R83-E126 PolarHBondContact NH1-OE2 2.93Å; R83-E126 IonicContact NH2-OE2 3.61Å; E126-K133 HydrophobicContact CG-CB 4.39Å; E126-V134 WeakPolarHBondContact CA-O 3.24Å; E126-Q135 HydrophobicContact CB-CG 3.96Å; E126-Q135 HydrophobicContact CG-CG 3.96Å; E126-Q135 PolarHBondContact OE2-NE2 3.15Å
127A93.3Very high91.8Very high0 Ų051.8 Ų51.80%026%0.262CS..EExtended strand (participates in β ladder)trans-105.1126.4170.900000109.7P49 L51 A72 P78 T79 V80 K133 V134P49-A127 HydrophobicContact CB-CB 4.32Å; L51-A127 HydrophobicContact CD2-CB 4.1Å; A72-A127 HydrophobicContact CB-CB 3.35Å; P78-A127 HydrophobicContact CB-CB 4.34Å; T79-A127 WeakPolarHBondContact O-CA 3.37Å; V80-A127 HydrophobicContact CG2-CB 4.17Å; A127-K133 CarbonylContact O-C 3.21Å; A127-K133 VanDerWaalsContact O-CA 3.29Å; A127-K133 WeakPolarHBondContact O-CA 3.47Å; A127-V134 HydrophobicContact CB-CG1 3.97Å; A127-V134 PolarHBondContact N-O 2.81Å; A127-V134 PolarHBondContact O-N 3.42Å
128R94.4Very high92.5Very high156 Ų15650.3 Ų50.359%0.58925%0.253SS*.EExtended strand (participates in β ladder)trans-138138.2-170.3-178.4175.8173.3-164.9-3.7112.6P78 T79 G132 K133P78-R128 CarbonylContact C-O 3.6Å; P78-R128 VanDerWaalsContact CA-O 3.31Å; P78-R128 WeakPolarHBondContact CA-O 3.3Å; T79-R128 PolarHBondContact N-O 2.86Å; T79-R128 PolarHBondContact O-N 2.81Å; R128-G132 WeakPolarHBondContact CA-O 3.46Å; R128-K133 HydrophobicContact CB-CB 4.18Å; R128-K133 HydrophobicContact CG-CB 4.18Å
129N92.5Very high93Very high19 Ų1952.2 Ų52.210%0.10226%0.255CS..  trans-132.9-165.416473.47.7000110.2H47 P49 P76 P78 F131 G132H47-N129 PolarHBondContact O-ND2 2.95Å; P49-N129 WeakPolarHBondContact CD-OD1 3.35Å; P49-N129 HydrophobicContact CG-CB 4.22Å; P76-N129 WeakPolarHBondContact O-CB 3.47Å; P76-N129 PolarHBondContact O-ND2 3.4Å; P78-N129 HydrophobicContact CB-CB 4.45Å; N129-F131 VanDerWaalsContact C-N 3.3Å; N129-F131 PolarHBondContact O-N 3.04Å; N129-F131 PolarHBondContact OD1-N 2.9Å; N129-G132 PolarHBondContact N-O 2.77Å; N129-G132 PolarHBondContact OD1-N 2.99Å
130V90.6Very high93.4Very high113 Ų11351.3 Ų51.369%0.68525%0.251SS*.SBendtrans-72.7-18.4-179.7-58.90000114.1P76P76-V130 HydrophobicContact CG-CG2 4.43Å
131F91.7Very high93.4Very high75 Ų7549.8 Ų49.833%0.32925%0.245SC..SBendtrans-97.9-11.5-178.6-64.1-71.5000113.8A44 G46 A48 R75 N129A44-F131 HydrophobicContact CB-CZ 3.92Å; A44-F131 WeakPolarHBondContact O-CZ 3.4Å; G46-F131 VanDerWaalsContact CA-CE2 3.48Å; A48-F131 HydrophobicContact CB-CB 4.36Å; R75-F131 WeakPolarHBondContact O-CD2 3.41Å; R75-F131 VanDerWaalsContact O-CE2 3.29Å; R75-F131 WeakPolarHBondContact O-CE2 3.35Å; N129-F131 VanDerWaalsContact C-N 3.3Å; N129-F131 PolarHBondContact O-N 3.04Å; N129-F131 PolarHBondContact OD1-N 2.9Å
132G93Very high93.3Very high27 Ų2749.9 Ų49.928%0.27825%0.245SC..  trans169.3-172.6175.200000114.7P49 R128 N129P49-G132 VanDerWaalsContact CD-C 3.48Å; P49-G132 WeakPolarHBondContact CD-O 3.26Å; R128-G132 WeakPolarHBondContact CA-O 3.46Å; N129-G132 PolarHBondContact N-O 2.77Å; N129-G132 PolarHBondContact OD1-N 2.99Å
133K95.2Very high92.8Very high135 Ų13550.8 Ų50.859%0.58725%0.249SC*.EExtended strand (participates in β ladder)trans-138.2148.5173.265.5179.5-175.1175.40110.1E126 A127 R128E126-K133 HydrophobicContact CG-CB 4.39Å; A127-K133 CarbonylContact O-C 3.21Å; A127-K133 VanDerWaalsContact O-CA 3.29Å; A127-K133 WeakPolarHBondContact O-CA 3.47Å; R128-K133 HydrophobicContact CB-CB 4.18Å; R128-K133 HydrophobicContact CG-CB 4.18Å
134V95.9Very high92.4Very high44 Ų4453 Ų5327%0.26727%0.273SS..EExtended strand (participates in β ladder)trans-132.7151.2171.768.60000108.7P49 L51 E126 A127P49-V134 HydrophobicContact CB-CG1 4Å; P49-V134 WeakPolarHBondContact O-CG1 3.32Å; L51-V134 HydrophobicContact CD1-CG2 4.35Å; L51-V134 HydrophobicContact CD2-CG1 3.67Å; L51-V134 HydrophobicContact CG-CG1 3.72Å; L51-V134 HydrophobicContact CG-CG2 4.06Å; E126-V134 WeakPolarHBondContact CA-O 3.24Å; A127-V134 HydrophobicContact CB-CG1 3.97Å; A127-V134 PolarHBondContact N-O 2.81Å; A127-V134 PolarHBondContact O-N 3.42Å
135Q95.3Very high92Very high84 Ų8458 Ų5839%0.39330%0.295SS..EExtended strand (participates in β ladder)trans-137.1151.3-175.4-66173.4400111.2V124 C125 E126V124-Q135 HydrophobicContact CG1-CB 4.22Å; V124-Q135 HydrophobicContact CG1-CG 4.48Å; C125-Q135 WeakPolarHBondContact O-CA 3.48Å; E126-Q135 HydrophobicContact CB-CG 3.96Å; E126-Q135 HydrophobicContact CG-CG 3.96Å; E126-Q135 PolarHBondContact OE2-NE2 3.15Å
136A95.5Very high91.7Very high17 Ų1758.8 Ų58.814%0.1430%0.301CS..EExtended strand (participates in β ladder)trans-145.8149.4167.100000110.3L51 P55 V124 C125L51-A136 HydrophobicContact CD1-CB 3.45Å; L51-A136 VanDerWaalsContact CD1-CB 3.45Å; P55-A136 HydrophobicContact CG-CB 3.96Å; V124-A136 WeakPolarHBondContact CA-O 3.45Å; C125-A136 PolarHBondContact N-O 2.81Å; C125-A136 PolarHBondContact O-N 3.41Å; C125-A136 VanDerWaalsContact O-N 3.11Å
137E95.1Very high91.6Very high99 Ų9961.2 Ų61.246%0.46332%0.319SS..EExtended strand (participates in β ladder)trans-111.9145.4178.5-175.8177.8120.800110.6P122 Y123 V124 R139P122-E137 VanDerWaalsContact CB-CD 3.45Å; P122-E137 HydrophobicContact CB-CG 3.86Å; P122-E137 VanDerWaalsContact CB-OE1 3.3Å; P122-E137 WeakPolarHBondContact CB-OE1 3.24Å; Y123-E137 WeakPolarHBondContact O-CA 3.49Å; V124-E137 HydrophobicContact CG2-CB 4.26Å; V124-E137 HydrophobicContact CG2-CG 4.22Å; E137-R139 IonicContact OE1-NE 3.93Å
138A94.8Very high91.6Very high1 Ų161.5 Ų61.51%0.00832%0.321CS..EExtended strand (participates in β ladder)trans-142.9155.8164.500000110.4P55 R56 D57 L68 Y123P55-A138 HydrophobicContact CB-CB 3.69Å; P55-A138 HydrophobicContact CG-CB 4.06Å; R56-A138 WeakPolarHBondContact O-CB 3.1Å; D57-A138 WeakPolarHBondContact OD1-CA 3.32Å; L68-A138 HydrophobicContact CD2-CB 4.48Å; Y123-A138 PolarHBondContact N-O 2.89Å; Y123-A138 PolarHBondContact O-N 3.4Å
139R94.4Very high91.6Very high137 Ų13759.5 Ų59.552%0.51732%0.318SS..EExtended strand (participates in β ladder)trans-105.4131.5-176.9-59.5175172.6-167-3.5111.5D57 V58 P122 E137 I141D57-R139 VanDerWaalsContact CA-O 3.29Å; D57-R139 WeakPolarHBondContact CA-O 3.49Å; D57-R139 PolarHBondContact OD1-N 3.11Å; V58-R139 PolarHBondContact N-O 2.58Å; P122-R139 HydrophobicContact CB-CG 4.48Å; E137-R139 IonicContact OE1-NE 3.93Å; R139-I141 HydrophobicContact CB-CG1 4.36Å
140L91.8Very high91.7Very high1 Ų159 Ų591%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-86.5119.3163.1-168.369.8000108.5V58 V60 A66 F112 V115 D119 Q120 A121 Y123 V142V58-L140 HydrophobicContact CB-CD1 4.03Å; V58-L140 HydrophobicContact CG1-CD1 3.96Å; V60-L140 HydrophobicContact CG1-CD1 3.77Å; V60-L140 HydrophobicContact CG1-CG 4.28Å; A66-L140 HydrophobicContact CB-CD1 3.93Å; F112-L140 HydrophobicContact CD1-CD2 3.84Å; F112-L140 HydrophobicContact CD2-CD2 4.34Å; F112-L140 HydrophobicContact CE1-CD2 3.57Å; F112-L140 HydrophobicContact CE2-CD2 4.12Å; F112-L140 HydrophobicContact CG-CD2 4.24Å; F112-L140 HydrophobicContact CZ-CD2 3.74Å; V115-L140 HydrophobicContact CG1-CD2 4.03Å; V115-L140 HydrophobicContact CG2-CD2 4.25Å; D119-L140 HydrophobicContact CB-CD2 3.91Å; Q120-L140 WeakPolarHBondContact CG-O 3.35Å; A121-L140 PolarHBondContact O-N 2.88Å; Y123-L140 HydrophobicContact CD2-CB 4.19Å; Y123-L140 HydrophobicContact CE2-CB 3.91Å; L140-V142 HydrophobicContact CD2-CG2 4.33Å; L140-V142 HydrophobicContact CG-CG2 4.33Å
141I90.4Very high91.8Very high59 Ų5954.7 Ų54.730%0.30329%0.292SS..EExtended strand (participates in β ladder)trans-108.1109.1-178.7-57176.3000108V58 T59 V60 R139V58-I141 PolarHBondContact O-N 3.33Å; T59-I141 WeakPolarHBondContact CA-O 3.18Å; T59-I141 HydrophobicContact CG2-CB 4.42Å; T59-I141 HydrophobicContact CG2-CG2 4.21Å; V60-I141 PolarHBondContact N-O 2.91Å; R139-I141 HydrophobicContact CB-CG1 4.36Å
142V88.5Confident91.7Very high9 Ų956.7 Ų56.76%0.05532%0.315CS..EExtended strand (participates in β ladder)trans-95.1116.6-174-175.70000110.5V60 L62 V115 Q120 L140 R175V60-V142 WeakPolarHBondContact O-CA 3.29Å; L62-V142 HydrophobicContact CD2-CG1 3.51Å; L62-V142 HydrophobicContact CG-CG1 3.77Å; V115-V142 HydrophobicContact CG1-CB 4.29Å; V115-V142 HydrophobicContact CG1-CG1 3.87Å; V115-V142 HydrophobicContact CG1-CG2 3.48Å; V115-V142 VanDerWaalsContact CG1-CG2 3.48Å; Q120-V142 HydrophobicContact CB-CB 4.2Å; Q120-V142 HydrophobicContact CB-CG2 3.81Å; L140-V142 HydrophobicContact CD2-CG2 4.33Å; L140-V142 HydrophobicContact CG-CG2 4.33Å; V142-R175 PolarHBondContact O-NH1 3.4Å
143T84.5Confident91.5Very high54 Ų5457.2 Ų57.233%0.33132%0.315SS..EExtended strand (participates in β ladder)trans-109.2168.9-176.855.70000112.9T59 V60 E61 L62T59-T143 HydrophobicContact CG2-CG2 3.47Å; T59-T143 VanDerWaalsContact CG2-CG2 3.47Å; V60-T143 PolarHBondContact O-N 2.86Å; V60-T143 PolarHBondContact O-OG1 3.3Å; V60-T143 VanDerWaalsContact O-OG1 3.13Å; E61-T143 WeakPolarHBondContact CA-O 3.15Å; L62-T143 WeakPolarHBondContact CG-O 3.43Å; L62-T143 PolarHBondContact N-O 2.81Å
144G84.3Confident91.3Very high48 Ų4853.5 Ų53.550%0.49531%0.309SS..SBendtrans89.1-177.6-172.300000112.9
145H85.9Confident91.3Very high118 Ų11856.3 Ų56.355%0.54633%0.328SS..  trans-120.2145.6-178.3-60.4-47.5000110.9R175 A224H145-R175 CarbonylContact C-O 3.58Å; H145-R175 VanDerWaalsContact CA-O 3.25Å; H145-R175 WeakPolarHBondContact CA-O 3.45Å; H145-R175 WeakPolarHBondContact CB-O 3.21Å; H145-A224 HydrophobicContact CB-CB 3.61Å
146A85.6Confident91.3Very high16 Ų1655.2 Ų55.213%0.13233%0.327CS..EExtended strand (participates in β ladder)trans-120.8129.2178.100000109.7L62 P117 G174 R175 N222 A224L62-A146 HydrophobicContact CD1-CB 3.97Å; P117-A146 HydrophobicContact CG-CB 4.36Å; A146-G174 WeakPolarHBondContact O-CA 3.26Å; A146-R175 HydrophobicContact CB-CB 4.14Å; A146-R175 PolarHBondContact N-O 2.96Å; A146-R175 PolarHBondContact O-N 3.47Å; A146-N222 PolarHBondContact O-ND2 2.84Å; A146-A224 VanDerWaalsContact C-CB 3.47Å
147P90.4Very high91.4Very high74 Ų7455.9 Ų55.948%0.48133%0.329SS..EExtended strand (participates in β ladder)trans-66.3156.9-179.827.9-34.9000111.5Q149 A224P147-Q149 PolarHBondContact O-N 2.94Å; P147-A224 HydrophobicContact CB-CB 4.32Å
148P94.4Very high91.5Very high5 Ų558.3 Ų58.33%0.03233%0.334CS..EExtended strand (participates in β ladder)trans-65.6133.2-177.6-21.635.6000112.3A173 P178 A220 N222 G225 Q227P148-A173 WeakPolarHBondContact CA-O 3.43Å; P148-P178 HydrophobicContact CB-CB 3.89Å; P148-P178 HydrophobicContact CB-CG 3.66Å; P148-P178 HydrophobicContact CG-CB 3.85Å; P148-P178 HydrophobicContact CG-CG 3.78Å; P148-A220 HydrophobicContact CB-CB 3.79Å; P148-A220 WeakPolarHBondContact CG-O 3.32Å; P148-N222 HydrophobicContact CG-CB 4.48Å; P148-G225 VanDerWaalsContact CD-O 3.29Å; P148-G225 WeakPolarHBondContact CD-O 3.23Å; P148-G225 WeakPolarHBondContact CG-O 3.31Å; P148-Q227 HydrophobicContact CB-CB 4.28Å; P148-Q227 WeakPolarHBondContact O-CB 3.32Å
149Q93.4Very high91.7Very high114 Ų11459 Ų5953%0.53334%0.338SS..EExtended strand (participates in β ladder)trans-111.3122.7169.7-61.1-172.37.300109.5P147 V171 L172 A173P147-Q149 PolarHBondContact O-N 2.94Å; Q149-V171 CarbonylContact O-C 3.59Å; Q149-V171 WeakPolarHBondContact O-CA 3.5Å; Q149-L172 HydrophobicContact CB-CB 4.4Å; Q149-L172 PolarHBondContact O-N 3.32Å; Q149-A173 HydrophobicContact CB-CB 4.12Å; Q149-A173 HydrophobicContact CG-CB 4.17Å; Q149-A173 PolarHBondContact N-O 3.47Å
150I94.3Very high91.8Very high9 Ų956 Ų565%0.04633%0.333CS..EExtended strand (participates in β ladder)trans-108.8133.2177.3-49.1176.1000109A220 Q227 R229I150-A220 HydrophobicContact CD1-CB 3.69Å; I150-A220 HydrophobicContact CG1-CB 3.85Å; I150-Q227 HydrophobicContact CD1-CB 4.49Å; I150-Q227 HydrophobicContact CD1-CG 4.32Å; I150-Q227 WeakPolarHBondContact CD1-O 3.41Å; I150-Q227 HydrophobicContact CG1-CG 4.25Å; I150-R229 HydrophobicContact CB-CG 3.73Å; I150-R229 HydrophobicContact CD1-CG 4.36Å; I150-R229 HydrophobicContact CG2-CB 4.28Å; I150-R229 HydrophobicContact CG2-CG 3.6Å; I150-R229 PolarHBondContact O-NE 2.78Å; I150-R229 PolarHBondContact O-NH2 3.24Å
151A92.7Very high92Very high23 Ų2359.6 Ų59.619%0.1935%0.349CS..  trans-55153.9176.300000112.6I170 L172A151-I170 HydrophobicContact CB-CB 4Å; A151-I170 HydrophobicContact CB-CG2 4.41Å; A151-I170 PolarHBondContact N-O 2.98Å; A151-L172 HydrophobicContact CB-CD1 3.98Å; A151-L172 HydrophobicContact CB-CD2 4.1Å; A151-L172 HydrophobicContact CB-CG 3.95Å
152S90.3Very high92.2Very high116 Ų11657.9 Ų57.981%0.81135%0.346SS*.  trans-73.3132168.550.20000110.9
153S89Confident92.6Very high39 Ų3962.3 Ų62.327%0.27337%0.366SS..  trans-114173.1170.956.10000110.6
154A91.5Very high93.2Very high57 Ų5763.3 Ų63.347%0.47137%0.374SS..  trans-63.7133167.600000109.6T156 V231A154-T156 PolarHBondContact O-N 2.8Å; A154-V231 WeakPolarHBondContact O-CG2 3.49Å
155P94.4Very high93.8Very high102 Ų10261.7 Ų61.766%0.66235%0.354SS*.SBendtrans-71.6-14.4-178.129.5-36.3000113.1E232P155-E232 PolarHBondContact O-N 3.36Å
156T96.9Very high94.2Very high61 Ų6158.1 Ų58.137%0.37434%0.343SS..EExtended strand (participates in β ladder)trans-139.5127.6173.7-51.10000109.4A154 R158 E232 V234A154-T156 PolarHBondContact O-N 2.8Å; T156-R158 HydrophobicContact CG2-CG 4.35Å; T156-E232 CarbonylContact C-O 3.6Å; T156-E232 VanDerWaalsContact CA-O 3.3Å; T156-E232 WeakPolarHBondContact CA-O 3.38Å; T156-E232 HydrophobicContact CG2-CB 4.21Å; T156-E232 HydrophobicContact CG2-CG 4.48Å; T156-V234 HydrophobicContact CG2-CB 4.46Å; T156-V234 HydrophobicContact CG2-CG2 3.7Å
157V97.4Very high94.7Very high31 Ų3157.4 Ų57.419%0.18834%0.337CS..EExtended strand (participates in β ladder)trans-106.8127.9171.6173.10000108.2V165 L167 V231 E232 L233 V234V157-V165 HydrophobicContact CG1-CG2 3.73Å; V157-L167 HydrophobicContact CB-CD2 3.85Å; V157-L167 HydrophobicContact CG1-CD2 4.02Å; V157-L167 HydrophobicContact CG2-CD2 3.82Å; V157-V231 HydrophobicContact CB-CG2 4.31Å; V157-V231 HydrophobicContact CG2-CG2 3.71Å; V157-E232 PolarHBondContact N-O 2.82Å; V157-L233 HydrophobicContact CB-CD1 4.4Å; V157-L233 HydrophobicContact CG1-CD1 4.19Å; V157-V234 PolarHBondContact O-N 3.37Å
158R97.2Very high94.9Very high150 Ų15056.5 Ų56.557%0.56633%0.33SS*.EExtended strand (participates in β ladder)trans-110.6130.8178.5-66-177.9179.6-128.7-1.6109.3T156 V234 Q236T156-R158 HydrophobicContact CG2-CG 4.35Å; R158-V234 WeakPolarHBondContact CA-O 3.36Å; R158-V234 HydrophobicContact CG-CB 4.21Å; R158-Q236 HydrophobicContact CB-CG 4.5Å
159V97.4Very high94.9Very high16 Ų1656.3 Ų56.310%0.09733%0.329CS..EExtended strand (participates in β ladder)trans-142.1142-179.262.40000110.3Q163 V165 A208 L233 V234 V235 Q236V159-Q163 HydrophobicContact CG2-CB 3.87Å; V159-V165 HydrophobicContact CB-CB 4.34Å; V159-V165 HydrophobicContact CB-CG2 4.5Å; V159-V165 HydrophobicContact CG1-CB 4.31Å; V159-V165 HydrophobicContact CG1-CG1 4.35Å; V159-V165 HydrophobicContact CG2-CB 4.17Å; V159-A208 HydrophobicContact CB-CB 4.49Å; V159-A208 HydrophobicContact CG1-CB 3.5Å; V159-A208 HydrophobicContact CG2-CB 4.14Å; V159-L233 HydrophobicContact CG1-CD1 3.77Å; V159-V234 PolarHBondContact N-O 2.8Å; V159-V234 VanDerWaalsContact N-O 3.14Å; V159-V235 HydrophobicContact CG1-CG2 4.15Å; V159-V235 CarbonylContact O-C 3.56Å; V159-V235 WeakPolarHBondContact O-CA 3.43Å; V159-Q236 PolarHBondContact O-N 3.49Å
160L97.3Very high94.8Very high75 Ų7555.1 Ų55.139%0.39333%0.326SS..EExtended strand (participates in β ladder)trans-70.6140173.5179.767.7000110.6G162 Q163 V315L160-G162 PolarHBondContact O-N 3.04Å; L160-Q163 HydrophobicContact CB-CG 3.92Å; L160-Q163 HydrophobicContact CD2-CG 4.28Å; L160-Q163 HydrophobicContact CG-CG 4.35Å; L160-Q163 VanDerWaalsContact O-CB 3.32Å; L160-Q163 WeakPolarHBondContact O-CB 3.43Å; L160-Q163 PolarHBondContact O-N 2.9Å; L160-Q163 VanDerWaalsContact O-N 3.12Å; L160-V315 HydrophobicContact CD1-CG1 3.52Å
161E96.4Very high94.7Very high75 Ų7556.5 Ų56.535%0.3533%0.334SS..THydrogen-bonded Turntrans-54140.2175.7-175.7162.8-116.300112.5Q163 L209 Q210 V235 Q236 V237E161-Q163 VanDerWaalsContact C-N 3.25Å; E161-Q163 PolarHBondContact O-N 2.8Å; E161-L209 HydrophobicContact CG-CD2 4.16Å; E161-Q210 PolarHBondContact OE1-N 3.4Å; E161-Q210 VanDerWaalsContact OE1-N 3.12Å; E161-V235 HydrophobicContact CB-CG1 4Å; E161-V235 HydrophobicContact CG-CG1 4.47Å; E161-Q236 PolarHBondContact N-O 3.49Å; E161-V237 HydrophobicContact CB-CG2 4.21Å
162G95.2Very high94.6Very high24 Ų2461 Ų6125%0.24736%0.355CS..THydrogen-bonded Turntrans82-17.1-17500000115.2L160 A208L160-G162 PolarHBondContact O-N 3.04Å; G162-A208 PolarHBondContact N-O 3.45Å
163Q96.6Very high94.4Very high102 Ų10256.6 Ų56.648%0.47733%0.326SS..SBendtrans-81152.4179.9-62.4-60.4-48.600112.7V159 L160 E161 A208V159-Q163 HydrophobicContact CG2-CB 3.87Å; L160-Q163 HydrophobicContact CB-CG 3.92Å; L160-Q163 HydrophobicContact CD2-CG 4.28Å; L160-Q163 HydrophobicContact CG-CG 4.35Å; L160-Q163 VanDerWaalsContact O-CB 3.32Å; L160-Q163 WeakPolarHBondContact O-CB 3.43Å; L160-Q163 PolarHBondContact O-N 2.9Å; L160-Q163 VanDerWaalsContact O-N 3.12Å; E161-Q163 VanDerWaalsContact C-N 3.25Å; E161-Q163 PolarHBondContact O-N 2.8Å; Q163-A208 WeakPolarHBondContact O-CB 3.1Å; Q163-A208 PolarHBondContact O-N 2.93Å
164P96.3Very high94.3Very high74 Ų7455.4 Ų55.448%0.48132%0.319SS..  trans-70.8149.5172.628.5-34.3000112.2L205 D206P164-L205 VanDerWaalsContact CA-O 3.31Å; P164-L205 WeakPolarHBondContact CA-O 3.36Å; P164-D206 WeakPolarHBondContact CA-O 3.3Å; P164-D206 WeakPolarHBondContact CB-O 3.31Å
165V96.3Very high94Very high14 Ų1455.6 Ų55.69%0.08531%0.308CS..EExtended strand (participates in β ladder)trans-141151.3173.660.10000110.9V157 V159 L167 H204 L205 A208 L233V157-V165 HydrophobicContact CG1-CG2 3.73Å; V159-V165 HydrophobicContact CB-CB 4.34Å; V159-V165 HydrophobicContact CB-CG2 4.5Å; V159-V165 HydrophobicContact CG1-CB 4.31Å; V159-V165 HydrophobicContact CG1-CG1 4.35Å; V159-V165 HydrophobicContact CG2-CB 4.17Å; V165-L167 HydrophobicContact CG2-CD2 4.25Å; V165-H204 WeakPolarHBondContact O-CA 3.38Å; V165-H204 PolarHBondContact O-ND1 2.66Å; V165-L205 HydrophobicContact CG1-CB 3.85Å; V165-L205 HydrophobicContact CG1-CD1 3.87Å; V165-L205 HydrophobicContact CG1-CG 4.33Å; V165-L205 PolarHBondContact N-O 3.16Å; V165-L205 PolarHBondContact O-N 3.09Å; V165-A208 HydrophobicContact CG1-CB 4.39Å; V165-L233 HydrophobicContact CG1-CD1 4.42Å; V165-L233 HydrophobicContact CG1-CD2 4.3Å; V165-L233 HydrophobicContact CG2-CD1 4.27Å
166S95.5Very high93.7Very high44 Ų4453.6 Ų53.631%0.30830%0.295SS..EExtended strand (participates in β ladder)trans-129.7126.8169.7-60.50000109.5R198 L203 H204S166-R198 VanDerWaalsContact OG-CZ 3.31Å; S166-L203 CarbonylContact C-O 3.6Å; S166-L203 WeakPolarHBondContact CA-O 3.4Å; S166-H204 PolarHBondContact OG-ND1 3.48Å
167L96Very high93.3Very high1 Ų157.9 Ų57.91%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-97.6118.7174.3-56.9-179.2000108.1V157 V165 W182 S202 L203 Y216 V231 L233V157-L167 HydrophobicContact CB-CD2 3.85Å; V157-L167 HydrophobicContact CG1-CD2 4.02Å; V157-L167 HydrophobicContact CG2-CD2 3.82Å; V165-L167 HydrophobicContact CG2-CD2 4.25Å; L167-W182 HydrophobicContact CB-CH2 3.61Å; L167-W182 HydrophobicContact CB-CZ2 4.21Å; L167-W182 HydrophobicContact CB-CZ3 4.17Å; L167-W182 WeakPolarHBondContact O-CZ2 3.39Å; L167-S202 CarbonylContact O-C 3.56Å; L167-S202 VanDerWaalsContact O-CA 3.22Å; L167-S202 WeakPolarHBondContact O-CA 3.41Å; L167-S202 WeakPolarHBondContact O-CB 2.98Å; L167-L203 HydrophobicContact CB-CB 4.42Å; L167-L203 HydrophobicContact CD1-CD2 4.37Å; L167-L203 PolarHBondContact N-O 3.21Å; L167-L203 PolarHBondContact O-N 3.12Å; L167-Y216 HydrophobicContact CD1-CD1 4.27Å; L167-Y216 HydrophobicContact CD1-CD2 3.8Å; L167-Y216 HydrophobicContact CD1-CE2 4.44Å; L167-Y216 HydrophobicContact CD1-CG 3.7Å; L167-V231 HydrophobicContact CB-CG1 4.32Å; L167-V231 HydrophobicContact CD1-CG1 4.1Å; L167-V231 HydrophobicContact CD2-CG1 4.4Å; L167-V231 HydrophobicContact CD2-CG2 4.22Å; L167-L233 HydrophobicContact CD1-CB 4.46Å; L167-L233 HydrophobicContact CD1-CD2 4.38Å; L167-L233 HydrophobicContact CD2-CD1 4.46Å
168P94.1Very high93.1Very high54 Ų5456.9 Ų56.935%0.35131%0.309SS..  trans-78.8142.1-171.130.6-35.1000112.9S202P168-S202 WeakPolarHBondContact CA-OG 3.06Å
169C93.9Very high92.9Very high1 Ų157.2 Ų57.21%0.00732%0.317CS..  trans-135.877.8167.7-1720000111.8W182 C218C169-W182 HydrophobicContact CB-CH2 4.37Å; C169-W182 HydrophobicContact CB-CZ2 3.56Å; C169-C218 HydrophobicContact CB-CB 3.56Å; C169-C218 WeakPolarHBondContact CB-SG 3.45Å; C169-C218 WeakPolarHBondContact SG-CB 3.28Å; C169-C218 CovalentContact SG-SG 2.02Å; C169-C218 PolarHBondContact SG-SG 3Å
170I92Very high92.7Very high89 Ų8961.6 Ų61.646%0.45633%0.331SS..  trans-88.2113.7-178.4-57.7169.2000108.8A151 L172A151-I170 HydrophobicContact CB-CB 4Å; A151-I170 HydrophobicContact CB-CG2 4.41Å; A151-I170 PolarHBondContact N-O 2.98Å; I170-L172 HydrophobicContact CG2-CD2 4.16Å
171V92.1Very high92.5Very high38 Ų3862.2 Ų62.223%0.2333%0.332CS..EExtended strand (participates in β ladder)trans-80.6122.9170.1179.40000108.4Q149 A173 P178 R180 A220Q149-V171 CarbonylContact O-C 3.59Å; Q149-V171 WeakPolarHBondContact O-CA 3.5Å; V171-A173 WeakPolarHBondContact CG1-O 3.47Å; V171-P178 HydrophobicContact CG1-CG 4Å; V171-R180 HydrophobicContact CG2-CG 4.03Å; V171-A220 HydrophobicContact CG2-CB 4.12Å
172L90.3Very high92.4Very high117 Ų11759.4 Ų59.461%0.61332%0.319SS*.EExtended strand (participates in β ladder)trans-91-35179.6-62.9178.3000112.4Q149 A151 I170Q149-L172 HydrophobicContact CB-CB 4.4Å; Q149-L172 PolarHBondContact O-N 3.32Å; A151-L172 HydrophobicContact CB-CD1 3.98Å; A151-L172 HydrophobicContact CB-CD2 4.1Å; A151-L172 HydrophobicContact CB-CG 3.95Å; I170-L172 HydrophobicContact CG2-CD2 4.16Å
173A86.7Confident92.4Very high25 Ų2560 Ų6021%0.20732%0.315CS..EExtended strand (participates in β ladder)trans-156.2163.1-179.900000111.7P148 Q149 V171P148-A173 WeakPolarHBondContact CA-O 3.43Å; Q149-A173 HydrophobicContact CB-CB 4.12Å; Q149-A173 HydrophobicContact CG-CB 4.17Å; Q149-A173 PolarHBondContact N-O 3.47Å; V171-A173 WeakPolarHBondContact CG1-O 3.47Å
174G87.6Confident92.3Very high13 Ų1357 Ų5713%0.13430%0.301CS..EExtended strand (participates in β ladder)trans155.1139.1174.600000110.6A146 P176A146-G174 WeakPolarHBondContact O-CA 3.26Å; G174-P176 CarbonylContact C-O 3.54Å; G174-P176 VanDerWaalsContact C-O 3.28Å
175R84.5Confident92.1Very high61 Ų6157.5 Ų57.523%0.2330%0.3CS..EExtended strand (participates in β ladder)trans-138.1117.9175.9-79.7-173.1165.2-130-0.5110.2P117 Q120 V142 H145 A146 N222P117-R175 HydrophobicContact CB-CG 4.13Å; P117-R175 HydrophobicContact CG-CG 4.38Å; P117-R175 PolarHBondContact O-NE 2.96Å; P117-R175 PolarHBondContact O-NH2 2.86Å; Q120-R175 VanDerWaalsContact OE1-CZ 3.25Å; V142-R175 PolarHBondContact O-NH1 3.4Å; H145-R175 CarbonylContact C-O 3.58Å; H145-R175 VanDerWaalsContact CA-O 3.25Å; H145-R175 WeakPolarHBondContact CA-O 3.45Å; H145-R175 WeakPolarHBondContact CB-O 3.21Å; A146-R175 HydrophobicContact CB-CB 4.14Å; A146-R175 PolarHBondContact N-O 2.96Å; A146-R175 PolarHBondContact O-N 3.47Å; R175-N222 PolarHBondContact N-ND2 2.88Å; R175-N222 PolarHBondContact O-ND2 2.86Å
176P88.1Confident91.9Very high61 Ų6159.2 Ų59.240%0.39632%0.32SS..SBendcis-61.3170.4-2.2-21.234.4000113.4G174 P178 N222 T223G174-P176 CarbonylContact C-O 3.54Å; G174-P176 VanDerWaalsContact C-O 3.28Å; P176-P178 VanDerWaalsContact O-CD 3.3Å; P176-P178 WeakPolarHBondContact O-CD 3.36Å; P176-N222 PolarHBondContact O-ND2 2.84Å; P176-T223 WeakPolarHBondContact CD-OG1 3.34Å
177L88.7Confident91.7Very high151 Ų15166.2 Ų66.279%0.79134%0.34SS*.PPolyproline II helixtrans-53.9120.3176.9179.565.6000109.6
178P93.6Very high91.5Very high9 Ų971.2 Ų71.26%0.05837%0.372CS..PPolyproline II helixtrans-68.1134.9-174.7-24.135.5000113.8P148 V171 P176 A220 T221 N222P148-P178 HydrophobicContact CB-CB 3.89Å; P148-P178 HydrophobicContact CB-CG 3.66Å; P148-P178 HydrophobicContact CG-CB 3.85Å; P148-P178 HydrophobicContact CG-CG 3.78Å; V171-P178 HydrophobicContact CG1-CG 4Å; P176-P178 VanDerWaalsContact O-CD 3.3Å; P176-P178 WeakPolarHBondContact O-CD 3.36Å; P178-A220 HydrophobicContact CB-CB 4.02Å; P178-T221 CarbonylContact C-O 3.46Å; P178-T221 WeakPolarHBondContact CA-O 3.3Å; P178-N222 HydrophobicContact CB-CB 4.5Å; P178-N222 HydrophobicContact CG-CB 4.49Å
179E93.4Very high91.1Very high157 Ų15770.1 Ų70.173%0.73436%0.364SS*.EExtended strand (participates in β ladder)trans-71.6139.3166.6-66.6-172.9174.100109.7A220 T221E179-A220 CarbonylContact O-C 3.5Å; E179-A220 VanDerWaalsContact O-CA 3.29Å; E179-A220 WeakPolarHBondContact O-CA 3.15Å; E179-T221 PolarHBondContact N-O 2.03Å; E179-T221 PolarHBondContact O-N 3.48Å
180R92.6Very high90.4Very high108 Ų10873.7 Ų73.741%0.40839%0.387SS..EExtended strand (participates in β ladder)trans-114.5130.8-175.3-53.9175.4-59.4-151.5-0.6109.9V171 A199 D200 V219V171-R180 HydrophobicContact CG2-CG 4.03Å; R180-A199 PolarHBondContact NH1-O 2.86Å; R180-A199 PolarHBondContact NH2-O 3.03Å; R180-D200 PolarHBondContact NH1-O 2.81Å; R180-V219 WeakPolarHBondContact CA-O 3.48Å
181H92.6Very high89.2Confident89 Ų8975.7 Ų75.741%0.41241%0.405SS..EExtended strand (participates in β ladder)trans-138.7158.1168.658.9-91.8000111.3V219H181-V219 PolarHBondContact N-O 3.04Å; H181-V219 WeakPolarHBondContact NE2-CB 3.43Å; H181-V219 PolarHBondContact O-N 3.37Å
182W95.2Very high87.9Confident16 Ų1677.9 Ų77.96%0.06144%0.435CS..EExtended strand (participates in β ladder)trans-113.3139.3179.5-78.590.6000111L167 C169 L189 I197 G201 L203 S217 C218 V231L167-W182 HydrophobicContact CB-CH2 3.61Å; L167-W182 HydrophobicContact CB-CZ2 4.21Å; L167-W182 HydrophobicContact CB-CZ3 4.17Å; L167-W182 WeakPolarHBondContact O-CZ2 3.39Å; C169-W182 HydrophobicContact CB-CH2 4.37Å; C169-W182 HydrophobicContact CB-CZ2 3.56Å; W182-L189 HydrophobicContact CB-CD1 3.73Å; W182-L189 HydrophobicContact CB-CG 4.13Å; W182-I197 HydrophobicContact CG-CD1 4.34Å; W182-G201 PolarHBondContact NE1-O 2.96Å; W182-L203 HydrophobicContact CB-CD2 4.36Å; W182-L203 HydrophobicContact CD2-CB 3.72Å; W182-L203 HydrophobicContact CD2-CD2 3.96Å; W182-L203 HydrophobicContact CD2-CG 4.49Å; W182-L203 VanDerWaalsContact CE2-CB 3.47Å; W182-L203 HydrophobicContact CE3-CB 4.29Å; W182-L203 HydrophobicContact CE3-CD2 3.97Å; W182-L203 HydrophobicContact CG-CB 4.02Å; W182-L203 HydrophobicContact CG-CD2 4.18Å; W182-L203 HydrophobicContact CH2-CB 4.38Å; W182-L203 HydrophobicContact CZ2-CB 3.81Å; W182-S217 WeakPolarHBondContact CA-O 3.37Å; W182-C218 HydrophobicContact CD2-CB 3.87Å; W182-C218 HydrophobicContact CE3-CB 3.9Å; W182-C218 HydrophobicContact CH2-CB 3.81Å; W182-C218 HydrophobicContact CZ2-CB 3.78Å; W182-C218 HydrophobicContact CZ3-CB 3.86Å; W182-V231 HydrophobicContact CH2-CG1 4.35Å; W182-V231 HydrophobicContact CZ3-CG1 4.09Å
183L94.9Very high86.5Confident35 Ų3574.3 Ų74.318%0.18342%0.42CS..EExtended strand (participates in β ladder)trans-113.8146.1170.2-51.3176.6000109.1R187 P188 Y216 S217 V219L183-R187 CarbonylContact C-O 3.56Å; L183-R187 WeakPolarHBondContact CA-O 3.32Å; L183-R187 WeakPolarHBondContact CB-O 3.47Å; L183-P188 HydrophobicContact CD2-CG 4.27Å; L183-Y216 CarbonylContact O-C 3.58Å; L183-Y216 VanDerWaalsContact O-CA 3.32Å; L183-Y216 WeakPolarHBondContact O-CA 3.46Å; L183-S217 PolarHBondContact N-O 2.81Å; L183-S217 PolarHBondContact O-N 3.09Å; L183-V219 HydrophobicContact CD1-CG2 3.91Å; L183-V219 HydrophobicContact CG-CG2 4.18Å
184K94.1Very high86.1Confident39 Ų3979.1 Ų79.117%0.1743%0.433CS..EExtended strand (participates in β ladder)trans-114.8128.7162.8-173.3-173-169.7-70.80108.2G186 R187 L189 A213 R215 Y216K184-G186 PolarHBondContact O-N 3.38Å; K184-G186 VanDerWaalsContact O-N 3.09Å; K184-R187 PolarHBondContact N-O 3.08Å; K184-R187 PolarHBondContact O-N 2.86Å; K184-L189 HydrophobicContact CB-CD2 3.7Å; K184-A213 VanDerWaalsContact CE-O 3.3Å; K184-A213 WeakPolarHBondContact CE-O 3.34Å; K184-A213 PolarHBondContact NZ-O 2.73Å; K184-R215 WeakPolarHBondContact CA-O 3.46Å; K184-Y216 HydrophobicContact CB-CD1 4.02Å; K184-Y216 HydrophobicContact CB-CE1 3.81Å; K184-Y216 HydrophobicContact CD-CE1 3.97Å; K184-Y216 HydrophobicContact CD-CE2 4.25Å; K184-Y216 WeakPolarHBondContact CD-OH 3.28Å; K184-Y216 VanDerWaalsContact CE-OH 3.32Å; K184-Y216 WeakPolarHBondContact CE-OH 3.43Å; K184-Y216 HydrophobicContact CG-CD1 4.22Å; K184-Y216 HydrophobicContact CG-CE1 3.81Å; K184-Y216 HydrophobicContact CG-CE2 4.13Å
185D91.6Very high86.1Confident85 Ų8581 Ų8146%0.45544%0.438SS..THydrogen-bonded Turntrans49.836.7179.8-51.9-48.3000113.1R215D185-R215 PolarHBondContact N-O 2.68Å; D185-R215 PolarHBondContact OD1-N 3.33Å
186G91.6Very high86.5Confident50 Ų5080.5 Ų80.552%0.51544%0.444SS..THydrogen-bonded Turntrans81.35.3-179.200000116.1K184K184-G186 PolarHBondContact O-N 3.38Å; K184-G186 VanDerWaalsContact O-N 3.09Å
187R92.7Very high86.6Confident192 Ų19281.9 Ų81.973%0.72545%0.447SS*.EExtended strand (participates in β ladder)trans-119.7151.6180-60.4-176.5-179.6-164.7-1.3111.7L183 K184L183-R187 CarbonylContact C-O 3.56Å; L183-R187 WeakPolarHBondContact CA-O 3.32Å; L183-R187 WeakPolarHBondContact CB-O 3.47Å; K184-R187 PolarHBondContact N-O 3.08Å; K184-R187 PolarHBondContact O-N 2.86Å
188P90.7Very high86.7Confident106 Ų10680 Ų8069%0.68843%0.429SS*.EExtended strand (participates in β ladder)trans-54.4147171.1-2534.9000112.1L183L183-P188 HydrophobicContact CD2-CG 4.27Å
189L86.9Confident86.3Confident31 Ų3184.2 Ų84.216%0.16247%0.466CS..PPolyproline II helixtrans-60.5133.6179.5-62.5179.3000111.4W182 K184 L203 Y216W182-L189 HydrophobicContact CB-CD1 3.73Å; W182-L189 HydrophobicContact CB-CG 4.13Å; K184-L189 HydrophobicContact CB-CD2 3.7Å; L189-L203 HydrophobicContact CD1-CD1 3.62Å; L189-L203 HydrophobicContact CD1-CD2 3.92Å; L189-L203 HydrophobicContact CD1-CG 4.43Å; L189-L203 HydrophobicContact CD2-CD2 4.44Å; L189-Y216 HydrophobicContact CD2-CD1 4.12Å; L189-Y216 HydrophobicContact CD2-CE1 3.8Å
190P77.6Confident86Confident76 Ų7680.5 Ų80.549%0.49445%0.451SS..PPolyproline II helixtrans-70.7129.4-17827.2-33.2000110.9S193P190-S193 PolarHBondContact O-N 2.81Å; P190-S193 PolarHBondContact O-OG 3.07Å
191P67.1Low85.9Confident131 Ų13175.4 Ų75.485%0.85143%0.431SS*.THydrogen-bonded Turntrans-62.6141.9-179.726.4-34.5000111.1
192G64.5Low85.9Confident83 Ų8371.4 Ų71.486%0.85641%0.414SS*.THydrogen-bonded Turntrans86.1-5.8178.900000116
193S62.3Low85.9Confident42 Ų4270.7 Ų70.729%0.29441%0.411SS..SBendtrans-68.6149.7164.3550000110.5P190 H195P190-S193 PolarHBondContact O-N 2.81Å; P190-S193 PolarHBondContact O-OG 3.07Å; S193-H195 PolarHBondContact O-N 3.25Å; S193-H195 PolarHBondContact O-ND1 2.75Å; S193-H195 PolarHBondContact OG-CE1 3.3Å; S193-H195 PolarHBondContact OG-ND1 3.45Å
194R78.4Confident85.9Confident126 Ų12670.3 Ų70.348%0.47541%0.408SS..SBendtrans-75.463.5-174.1-71.4-179.4-65.7-97-15.5112.7E211R194-E211 IonicContact NH2-OE1 3.97Å
195H88.1Confident85.9Confident52 Ų5268.7 Ų68.724%0.24140%0.401CS..EExtended strand (participates in β ladder)trans-125.3153.8175.776.7-92.8000110.9S193 L203 H204 L205S193-H195 PolarHBondContact O-N 3.25Å; S193-H195 PolarHBondContact O-ND1 2.75Å; S193-H195 PolarHBondContact OG-CE1 3.3Å; S193-H195 PolarHBondContact OG-ND1 3.45Å; H195-L203 HydrophobicContact CB-CD1 3.81Å; H195-H204 CarbonylContact C-O 3.49Å; H195-H204 WeakPolarHBondContact CA-O 3.44Å; H195-L205 HydrophobicContact CB-CD2 3.61Å
196S90.9Very high85.9Confident51 Ų5168.8 Ų68.836%0.35740%0.402SS..EExtended strand (participates in β ladder)trans-138145.2171.854.70000110.4H204S196-H204 PolarHBondContact N-O 3.19Å; S196-H204 PolarHBondContact O-N 2.85Å
197I91.1Very high86.1Confident90 Ų9072.7 Ų72.746%0.46240%0.401SS..EExtended strand (participates in β ladder)trans-93.1118.4170.2-54-52.7000107.7W182 L203W182-I197 HydrophobicContact CG-CD1 4.34Å; I197-L203 HydrophobicContact CD1-CB 4.13Å; I197-L203 HydrophobicContact CD1-CD1 3.65Å; I197-L203 HydrophobicContact CD1-CG 4.49Å
198R90.3Very high86.2Confident111 Ų11163.6 Ų63.642%0.41937%0.367SS..  trans-76.2161.2176.8-69.5176.8173.7-157.9-1110.7S166 D200 G201 S202 H204S166-R198 VanDerWaalsContact OG-CZ 3.31Å; R198-D200 WeakPolarHBondContact CB-OD1 3.49Å; R198-D200 PolarHBondContact O-N 3.25Å; R198-G201 WeakPolarHBondContact O-CA 3.49Å; R198-G201 PolarHBondContact O-N 3.03Å; R198-S202 PolarHBondContact N-O 2.77Å; R198-H204 HydrophobicContact CG-CB 4.09Å; R198-H204 PolarHBondContact NE-CD2 3.02Å; R198-H204 PolarHBondContact NH2-CD2 3.5Å; R198-H204 PolarHBondContact NH2-CE1 2.56Å; R198-H204 PolarHBondContact NH2-NE2 3.4Å
199A86.7Confident86.4Confident99 Ų9960 Ų6082%0.81834%0.342SS*.THydrogen-bonded Turntrans-59.3-33.2-176.300000113.6R180 G201R180-A199 PolarHBondContact NH1-O 2.86Å; R180-A199 PolarHBondContact NH2-O 3.03Å; A199-G201 PolarHBondContact O-N 2.87Å
200D86.8Confident86.6Confident79 Ų7964.6 Ų64.642%0.42236%0.362SS..THydrogen-bonded Turntrans-67.6-12.3173.167.7-22.1000113.9R180 R198 S202R180-D200 PolarHBondContact NH1-O 2.81Å; R198-D200 WeakPolarHBondContact CB-OD1 3.49Å; R198-D200 PolarHBondContact O-N 3.25Å; D200-S202 WeakPolarHBondContact OD1-CB 3.37Å; D200-S202 PolarHBondContact OD1-N 2.64Å; D200-S202 PolarHBondContact OD1-OG 3.05Å; D200-S202 WeakPolarHBondContact OD2-CB 3.17Å; D200-S202 PolarHBondContact OD2-OG 3.15Å
201G89.4Confident87.3Confident0 Ų067.2 Ų67.20%037%0.368CS..SBendtrans97.7-2.7-176.800000114W182 R198 A199W182-G201 PolarHBondContact NE1-O 2.96Å; R198-G201 WeakPolarHBondContact O-CA 3.49Å; R198-G201 PolarHBondContact O-N 3.03Å; A199-G201 PolarHBondContact O-N 2.87Å
202S92.9Very high88.5Confident6 Ų661.7 Ų61.74%0.04233%0.331CS..  trans-70.8132.3-178-630000111.7L167 P168 R198 D200 H204L167-S202 CarbonylContact O-C 3.56Å; L167-S202 VanDerWaalsContact O-CA 3.22Å; L167-S202 WeakPolarHBondContact O-CA 3.41Å; L167-S202 WeakPolarHBondContact O-CB 2.98Å; P168-S202 WeakPolarHBondContact CA-OG 3.06Å; R198-S202 PolarHBondContact N-O 2.77Å; D200-S202 WeakPolarHBondContact OD1-CB 3.37Å; D200-S202 PolarHBondContact OD1-N 2.64Å; D200-S202 PolarHBondContact OD1-OG 3.05Å; D200-S202 WeakPolarHBondContact OD2-CB 3.17Å; D200-S202 PolarHBondContact OD2-OG 3.15Å; S202-H204 PolarHBondContact O-N 3.05Å
203L94.6Very high90Very high1 Ų159.2 Ų59.21%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-79.6115172.5170.361.5000109.3S166 L167 W182 L189 H195 I197 Y216S166-L203 CarbonylContact C-O 3.6Å; S166-L203 WeakPolarHBondContact CA-O 3.4Å; L167-L203 HydrophobicContact CB-CB 4.42Å; L167-L203 HydrophobicContact CD1-CD2 4.37Å; L167-L203 PolarHBondContact N-O 3.21Å; L167-L203 PolarHBondContact O-N 3.12Å; W182-L203 HydrophobicContact CB-CD2 4.36Å; W182-L203 HydrophobicContact CD2-CB 3.72Å; W182-L203 HydrophobicContact CD2-CD2 3.96Å; W182-L203 HydrophobicContact CD2-CG 4.49Å; W182-L203 VanDerWaalsContact CE2-CB 3.47Å; W182-L203 HydrophobicContact CE3-CB 4.29Å; W182-L203 HydrophobicContact CE3-CD2 3.97Å; W182-L203 HydrophobicContact CG-CB 4.02Å; W182-L203 HydrophobicContact CG-CD2 4.18Å; W182-L203 HydrophobicContact CH2-CB 4.38Å; W182-L203 HydrophobicContact CZ2-CB 3.81Å; L189-L203 HydrophobicContact CD1-CD1 3.62Å; L189-L203 HydrophobicContact CD1-CD2 3.92Å; L189-L203 HydrophobicContact CD1-CG 4.43Å; L189-L203 HydrophobicContact CD2-CD2 4.44Å; H195-L203 HydrophobicContact CB-CD1 3.81Å; I197-L203 HydrophobicContact CD1-CB 4.13Å; I197-L203 HydrophobicContact CD1-CD1 3.65Å; I197-L203 HydrophobicContact CD1-CG 4.49Å; L203-Y216 HydrophobicContact CD2-CD1 3.35Å; L203-Y216 HydrophobicContact CD2-CE1 3.55Å; L203-Y216 HydrophobicContact CD2-CG 4.29Å
204H94.9Very high91.5Very high26 Ų2657.9 Ų57.912%0.1230%0.295CS..EExtended strand (participates in β ladder)trans-105.2136.1-179.5-174.429.8000111.1V165 S166 H195 S196 R198 S202 D206V165-H204 WeakPolarHBondContact O-CA 3.38Å; V165-H204 PolarHBondContact O-ND1 2.66Å; S166-H204 PolarHBondContact OG-ND1 3.48Å; H195-H204 CarbonylContact C-O 3.49Å; H195-H204 WeakPolarHBondContact CA-O 3.44Å; S196-H204 PolarHBondContact N-O 3.19Å; S196-H204 PolarHBondContact O-N 2.85Å; R198-H204 HydrophobicContact CG-CB 4.09Å; R198-H204 PolarHBondContact NE-CD2 3.02Å; R198-H204 PolarHBondContact NH2-CD2 3.5Å; R198-H204 PolarHBondContact NH2-CE1 2.56Å; R198-H204 PolarHBondContact NH2-NE2 3.4Å; S202-H204 PolarHBondContact O-N 3.05Å; H204-D206 IonicContact CD2-OD1 2.75Å; H204-D206 IonicContact NE2-OD1 3.25Å
205L94.4Very high92.4Very high5 Ų557.4 Ų57.43%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-116.8125.8166.7-64165.1000108.1P164 V165 H195 R207 H212 L233P164-L205 VanDerWaalsContact CA-O 3.31Å; P164-L205 WeakPolarHBondContact CA-O 3.36Å; V165-L205 HydrophobicContact CG1-CB 3.85Å; V165-L205 HydrophobicContact CG1-CD1 3.87Å; V165-L205 HydrophobicContact CG1-CG 4.33Å; V165-L205 PolarHBondContact N-O 3.16Å; V165-L205 PolarHBondContact O-N 3.09Å; H195-L205 HydrophobicContact CB-CD2 3.61Å; L205-R207 VanDerWaalsContact C-N 3.26Å; L205-R207 PolarHBondContact O-N 2.85Å; L205-H212 HydrophobicContact CD1-CB 3.94Å; L205-L233 HydrophobicContact CD1-CD2 3.63Å
206D92.9Very high92.8Very high87 Ų8755.3 Ų55.347%0.46528%0.283SS..SBendtrans-68.3-31.4178.7-53.9-44.9000111.7P164 H204P164-D206 WeakPolarHBondContact CA-O 3.3Å; P164-D206 WeakPolarHBondContact CB-O 3.31Å; H204-D206 IonicContact CD2-OD1 2.75Å; H204-D206 IonicContact NE2-OD1 3.25Å
207R94.4Very high93.1Very high133 Ų13353.4 Ų53.450%0.50227%0.27SS..SBendtrans-143111.9178.4-63.5-17862.4-161.8-5.8109.4L205 H212L205-R207 VanDerWaalsContact C-N 3.26Å; L205-R207 PolarHBondContact O-N 2.85Å; R207-H212 PolarHBondContact O-CE1 3.46Å; R207-H212 VanDerWaalsContact O-CE1 3.24Å; R207-H212 PolarHBondContact O-ND1 3.39Å; R207-H212 VanDerWaalsContact O-ND1 3.08Å
208A94.7Very high93.3Very high0 Ų049.2 Ų49.20%025%0.248CC..  trans-64137166.500000109.9V159 G162 Q163 V165 V235V159-A208 HydrophobicContact CB-CB 4.49Å; V159-A208 HydrophobicContact CG1-CB 3.5Å; V159-A208 HydrophobicContact CG2-CB 4.14Å; G162-A208 PolarHBondContact N-O 3.45Å; Q163-A208 WeakPolarHBondContact O-CB 3.1Å; Q163-A208 PolarHBondContact O-N 2.93Å; V165-A208 HydrophobicContact CG1-CB 4.39Å; A208-V235 HydrophobicContact CB-CG1 4.01Å; A208-V235 HydrophobicContact CB-CG2 3.97Å
209L94.4Very high93.6Very high31 Ų3144.6 Ų44.616%0.16223%0.233CC..  trans-139.4158.5177.3-68.6178000108E161 E211 H212 V235E161-L209 HydrophobicContact CG-CD2 4.16Å; L209-E211 HydrophobicContact CB-CG 3.93Å; L209-E211 WeakPolarHBondContact CD1-OE1 3.41Å; L209-E211 PolarHBondContact O-N 3.34Å; L209-E211 VanDerWaalsContact O-N 3.1Å; L209-H212 PolarHBondContact N-ND1 3.4Å; L209-H212 WeakPolarHBondContact O-CA 3.2Å; L209-H212 WeakPolarHBondContact O-CB 3.44Å; L209-H212 PolarHBondContact O-N 2.81Å; L209-V235 WeakPolarHBondContact O-CG2 3.48Å
210Q93.1Very high94Very high128 Ų12839.9 Ų39.960%0.59819%0.194SC*.G310 helixtrans-52.8-35.2-179.8-163177.729.900113.7E161 H212 A213E161-Q210 PolarHBondContact OE1-N 3.4Å; E161-Q210 VanDerWaalsContact OE1-N 3.12Å; Q210-H212 VanDerWaalsContact C-N 3.25Å; Q210-H212 PolarHBondContact O-N 3.18Å; Q210-A213 WeakPolarHBondContact O-CB 3.41Å; Q210-A213 PolarHBondContact O-N 2.77Å; Q210-A213 VanDerWaalsContact O-N 3.13Å
211E91.7Very high94.5Very high131 Ų13138.4 Ų38.461%0.61219%0.188SC*.G310 helixtrans-64.1-23.2174.665.3-173.8174.800114.5R194 L209 A213R194-E211 IonicContact NH2-OE1 3.97Å; L209-E211 HydrophobicContact CB-CG 3.93Å; L209-E211 WeakPolarHBondContact CD1-OE1 3.41Å; L209-E211 PolarHBondContact O-N 3.34Å; L209-E211 VanDerWaalsContact O-N 3.1Å; E211-A213 VanDerWaalsContact C-N 3.33Å
212H93Very high94.7Very high14 Ų1439.5 Ų39.57%0.06519%0.193CC..G310 helixtrans-84-4.5175.5-59158.7000112.8L205 R207 L209 Q210 Y216 L233L205-H212 HydrophobicContact CD1-CB 3.94Å; R207-H212 PolarHBondContact O-CE1 3.46Å; R207-H212 VanDerWaalsContact O-CE1 3.24Å; R207-H212 PolarHBondContact O-ND1 3.39Å; R207-H212 VanDerWaalsContact O-ND1 3.08Å; L209-H212 PolarHBondContact N-ND1 3.4Å; L209-H212 WeakPolarHBondContact O-CA 3.2Å; L209-H212 WeakPolarHBondContact O-CB 3.44Å; L209-H212 PolarHBondContact O-N 2.81Å; Q210-H212 VanDerWaalsContact C-N 3.25Å; Q210-H212 PolarHBondContact O-N 3.18Å; H212-Y216 VanDerWaalsContact O-CE2 3.29Å; H212-Y216 WeakPolarHBondContact O-CE2 3.49Å; H212-Y216 PolarHBondContact O-OH 2.83Å; H212-Y216 VanDerWaalsContact O-OH 3.05Å; H212-L233 WeakPolarHBondContact O-CD2 3.38Å
213A94.9Very high94.7Very high32 Ų3244 Ų4426%0.26422%0.221SC..  trans-71.4154.9176.600000112.2K184 Q210 E211 L233 V235K184-A213 VanDerWaalsContact CE-O 3.3Å; K184-A213 WeakPolarHBondContact CE-O 3.34Å; K184-A213 PolarHBondContact NZ-O 2.73Å; Q210-A213 WeakPolarHBondContact O-CB 3.41Å; Q210-A213 PolarHBondContact O-N 2.77Å; Q210-A213 VanDerWaalsContact O-N 3.13Å; E211-A213 VanDerWaalsContact C-N 3.33Å; A213-L233 VanDerWaalsContact CA-O 3.24Å; A213-L233 WeakPolarHBondContact CA-O 3.46Å; A213-V235 HydrophobicContact CB-CB 4.45Å; A213-V235 HydrophobicContact CB-CG2 4.27Å
214G95Very high94.5Very high13 Ų1345.9 Ų45.913%0.13424%0.236CC..EExtended strand (participates in β ladder)trans126-167.8178.600000113.4E232 L233G214-E232 WeakPolarHBondContact CA-OE1 3.2Å; G214-L233 PolarHBondContact N-O 3.35Å; G214-L233 PolarHBondContact O-N 2.97Å
215R96.4Very high94.4Very high117 Ų11746.1 Ų46.144%0.44225%0.245SC..EExtended strand (participates in β ladder)trans-92.1122.5-171-171.7167.358.2134.9-6.1111.4K184 D185 D230 E232K184-R215 WeakPolarHBondContact CA-O 3.46Å; D185-R215 PolarHBondContact N-O 2.68Å; D185-R215 PolarHBondContact OD1-N 3.33Å; R215-D230 WeakPolarHBondContact CD-OD2 3.49Å; R215-D230 HydrophobicContact CG-CB 4.38Å; R215-D230 IonicContact CZ-OD2 2.68Å; R215-D230 IonicContact NE-OD2 3.64Å; R215-D230 IonicContact NH1-OD2 3.96Å; R215-D230 PolarHBondContact NH1-OD2 3.1Å; R215-E232 WeakPolarHBondContact CA-OE2 3.27Å; R215-E232 WeakPolarHBondContact CB-OE2 3.38Å
216Y96.3Very high94.4Very high8 Ų849.3 Ų49.33%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-106.2133.8172.9-71-97.1000110.3L167 L183 K184 L189 L203 H212 D230 V231 L233L167-Y216 HydrophobicContact CD1-CD1 4.27Å; L167-Y216 HydrophobicContact CD1-CD2 3.8Å; L167-Y216 HydrophobicContact CD1-CE2 4.44Å; L167-Y216 HydrophobicContact CD1-CG 3.7Å; L183-Y216 CarbonylContact O-C 3.58Å; L183-Y216 VanDerWaalsContact O-CA 3.32Å; L183-Y216 WeakPolarHBondContact O-CA 3.46Å; K184-Y216 HydrophobicContact CB-CD1 4.02Å; K184-Y216 HydrophobicContact CB-CE1 3.81Å; K184-Y216 HydrophobicContact CD-CE1 3.97Å; K184-Y216 HydrophobicContact CD-CE2 4.25Å; K184-Y216 WeakPolarHBondContact CD-OH 3.28Å; K184-Y216 VanDerWaalsContact CE-OH 3.32Å; K184-Y216 WeakPolarHBondContact CE-OH 3.43Å; K184-Y216 HydrophobicContact CG-CD1 4.22Å; K184-Y216 HydrophobicContact CG-CE1 3.81Å; K184-Y216 HydrophobicContact CG-CE2 4.13Å; L189-Y216 HydrophobicContact CD2-CD1 4.12Å; L189-Y216 HydrophobicContact CD2-CE1 3.8Å; L203-Y216 HydrophobicContact CD2-CD1 3.35Å; L203-Y216 HydrophobicContact CD2-CE1 3.55Å; L203-Y216 HydrophobicContact CD2-CG 4.29Å; H212-Y216 VanDerWaalsContact O-CE2 3.29Å; H212-Y216 WeakPolarHBondContact O-CE2 3.49Å; H212-Y216 PolarHBondContact O-OH 2.83Å; H212-Y216 VanDerWaalsContact O-OH 3.05Å; Y216-D230 CarbonylContact O-C 3.55Å; Y216-D230 WeakPolarHBondContact O-CA 3.34Å; Y216-V231 PolarHBondContact N-O 3.12Å; Y216-V231 PolarHBondContact O-N 3.32Å; Y216-L233 HydrophobicContact CD2-CB 3.84Å; Y216-L233 HydrophobicContact CD2-CD2 4.46Å; Y216-L233 HydrophobicContact CE2-CB 3.81Å; Y216-L233 HydrophobicContact CE2-CD2 3.84Å; Y216-L233 HydrophobicContact CE2-CG 4.42Å
217S96.3Very high94.6Very high11 Ų1148.2 Ų48.28%0.07726%0.26CS..EExtended strand (participates in β ladder)trans-116.9118.6174.9-54.70000108.8W182 L183 R229 D230W182-S217 WeakPolarHBondContact CA-O 3.37Å; L183-S217 PolarHBondContact N-O 2.81Å; L183-S217 PolarHBondContact O-N 3.09Å; S217-R229 WeakPolarHBondContact CA-O 2.97Å; S217-D230 VanDerWaalsContact CB-OD1 3.27Å; S217-D230 WeakPolarHBondContact CB-OD1 3.14Å; S217-D230 PolarHBondContact OG-OD1 2.84Å
218C96.1Very high94.6Very high1 Ų146.8 Ų46.81%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-83.6131.8161.8-171.10000108.8C169 W182 H228 R229C169-C218 HydrophobicContact CB-CB 3.56Å; C169-C218 WeakPolarHBondContact CB-SG 3.45Å; C169-C218 WeakPolarHBondContact SG-CB 3.28Å; C169-C218 CovalentContact SG-SG 2.02Å; C169-C218 PolarHBondContact SG-SG 3Å; W182-C218 HydrophobicContact CD2-CB 3.87Å; W182-C218 HydrophobicContact CE3-CB 3.9Å; W182-C218 HydrophobicContact CH2-CB 3.81Å; W182-C218 HydrophobicContact CZ2-CB 3.78Å; W182-C218 HydrophobicContact CZ3-CB 3.86Å; C218-H228 CarbonylContact O-C 3.58Å; C218-H228 WeakPolarHBondContact O-CA 3.42Å; C218-H228 WeakPolarHBondContact O-CB 3.35Å; C218-R229 PolarHBondContact N-O 2.97Å; C218-R229 PolarHBondContact O-N 3.48Å
219V96.1Very high94.6Very high15 Ų1551.5 Ų51.59%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-117.6126.5177.8-173.20000108.1R180 H181 L183 S226 H228R180-V219 WeakPolarHBondContact CA-O 3.48Å; H181-V219 PolarHBondContact N-O 3.04Å; H181-V219 WeakPolarHBondContact NE2-CB 3.43Å; H181-V219 PolarHBondContact O-N 3.37Å; L183-V219 HydrophobicContact CD1-CG2 3.91Å; L183-V219 HydrophobicContact CG-CG2 4.18Å; V219-S226 WeakPolarHBondContact CG1-OG 3.35Å; V219-H228 HydrophobicContact CG2-CB 4.07Å
220A96.6Very high94.7Very high0 Ų052.6 Ų52.60%028%0.283CS..EExtended strand (participates in β ladder)trans-113.1130.3171.900000108.8P148 I150 V171 P178 E179 S226 Q227P148-A220 HydrophobicContact CB-CB 3.79Å; P148-A220 WeakPolarHBondContact CG-O 3.32Å; I150-A220 HydrophobicContact CD1-CB 3.69Å; I150-A220 HydrophobicContact CG1-CB 3.85Å; V171-A220 HydrophobicContact CG2-CB 4.12Å; P178-A220 HydrophobicContact CB-CB 4.02Å; E179-A220 CarbonylContact O-C 3.5Å; E179-A220 VanDerWaalsContact O-CA 3.29Å; E179-A220 WeakPolarHBondContact O-CA 3.15Å; A220-S226 WeakPolarHBondContact O-CA 3.45Å; A220-S226 PolarHBondContact O-OG 3.32Å; A220-Q227 PolarHBondContact N-O 2.92Å; A220-Q227 PolarHBondContact O-N 2.84Å
221T96.4Very high94.9Very high48 Ų4846.7 Ų46.729%0.29426%0.256SS..EExtended strand (participates in β ladder)trans-137.2141.6-173.7-53.90000111.7P178 E179 G225 S226P178-T221 CarbonylContact C-O 3.46Å; P178-T221 WeakPolarHBondContact CA-O 3.3Å; E179-T221 PolarHBondContact N-O 2.03Å; E179-T221 PolarHBondContact O-N 3.48Å; T221-G225 WeakPolarHBondContact CA-O 3.42Å; T221-S226 WeakPolarHBondContact OG1-CB 3.46Å; T221-S226 PolarHBondContact OG1-OG 3.41Å
222N94.5Very high95.1Very high23 Ų2343.8 Ų43.812%0.12324%0.242CC..EExtended strand (participates in β ladder)trans-147-174.4168.570.910.3000110.6A146 P148 R175 P176 P178 A224 G225A146-N222 PolarHBondContact O-ND2 2.84Å; P148-N222 HydrophobicContact CG-CB 4.48Å; R175-N222 PolarHBondContact N-ND2 2.88Å; R175-N222 PolarHBondContact O-ND2 2.86Å; P176-N222 PolarHBondContact O-ND2 2.84Å; P178-N222 HydrophobicContact CB-CB 4.5Å; P178-N222 HydrophobicContact CG-CB 4.49Å; N222-A224 PolarHBondContact O-N 2.91Å; N222-A224 WeakPolarHBondContact OD1-CA 3.24Å; N222-A224 WeakPolarHBondContact OD1-CB 3.44Å; N222-A224 PolarHBondContact OD1-N 2.81Å; N222-G225 PolarHBondContact N-O 2.75Å; N222-G225 PolarHBondContact O-N 3.01Å; N222-G225 VanDerWaalsContact O-N 3.08Å; N222-G225 VanDerWaalsContact O-O 3.09Å; N222-G225 PolarHBondContact OD1-N 2.92Å; N222-G225 PolarHBondContact OD1-O 3.13Å
223T93.1Very high95.3Very high101 Ų10143.1 Ų43.162%0.6224%0.239SC*.THydrogen-bonded Turntrans-65.5-13.9-179.556.40000115P176P176-T223 WeakPolarHBondContact CD-OG1 3.34Å
224A88.9Confident95.4Very high40 Ų4043.3 Ų43.333%0.33124%0.237SC..THydrogen-bonded Turntrans-91.1-11.3172.800000114H145 A146 P147 N222H145-A224 HydrophobicContact CB-CB 3.61Å; A146-A224 VanDerWaalsContact C-CB 3.47Å; P147-A224 HydrophobicContact CB-CB 4.32Å; N222-A224 PolarHBondContact O-N 2.91Å; N222-A224 WeakPolarHBondContact OD1-CA 3.24Å; N222-A224 WeakPolarHBondContact OD1-CB 3.44Å; N222-A224 PolarHBondContact OD1-N 2.81Å
225G92.7Very high95.5Very high30 Ų3042.9 Ų42.931%0.30923%0.231SC..EExtended strand (participates in β ladder)trans146.9-170.4177.300000114.2P148 T221 N222P148-G225 VanDerWaalsContact CD-O 3.29Å; P148-G225 WeakPolarHBondContact CD-O 3.23Å; P148-G225 WeakPolarHBondContact CG-O 3.31Å; T221-G225 WeakPolarHBondContact CA-O 3.42Å; N222-G225 PolarHBondContact N-O 2.75Å; N222-G225 PolarHBondContact O-N 3.01Å; N222-G225 VanDerWaalsContact O-N 3.08Å; N222-G225 VanDerWaalsContact O-O 3.09Å; N222-G225 PolarHBondContact OD1-N 2.92Å; N222-G225 PolarHBondContact OD1-O 3.13Å
226S95.4Very high95.6Very high73 Ų7338.7 Ų38.751%0.5122%0.217SC..EExtended strand (participates in β ladder)trans-129.9141.8-179.3-168.70000110.6V219 A220 T221V219-S226 WeakPolarHBondContact CG1-OG 3.35Å; A220-S226 WeakPolarHBondContact O-CA 3.45Å; A220-S226 PolarHBondContact O-OG 3.32Å; T221-S226 WeakPolarHBondContact OG1-CB 3.46Å; T221-S226 PolarHBondContact OG1-OG 3.41Å
227Q96.5Very high95.6Very high63 Ų6339.5 Ų39.529%0.29422%0.223SC..EExtended strand (participates in β ladder)trans-133.2146.3174.2-179.958.46300108.8P148 I150 A220P148-Q227 HydrophobicContact CB-CB 4.28Å; P148-Q227 WeakPolarHBondContact O-CB 3.32Å; I150-Q227 HydrophobicContact CD1-CB 4.49Å; I150-Q227 HydrophobicContact CD1-CG 4.32Å; I150-Q227 WeakPolarHBondContact CD1-O 3.41Å; I150-Q227 HydrophobicContact CG1-CG 4.25Å; A220-Q227 PolarHBondContact N-O 2.92Å; A220-Q227 PolarHBondContact O-N 2.84Å
228H95.4Very high95.7Very high103 Ų10341.7 Ų41.748%0.47724%0.237SC..EExtended strand (participates in β ladder)trans-128.2162.3174.664-86.2000113.1C218 V219 D230C218-H228 CarbonylContact O-C 3.58Å; C218-H228 WeakPolarHBondContact O-CA 3.42Å; C218-H228 WeakPolarHBondContact O-CB 3.35Å; V219-H228 HydrophobicContact CG2-CB 4.07Å; H228-D230 IonicContact CD2-OD1 3.33Å
229R95.1Very high95.7Very high99 Ų9942.1 Ų42.137%0.37424%0.239SC..EExtended strand (participates in β ladder)trans-136.3126.8168-70.1-69.1175.7-119.51.5109.4I150 S217 C218I150-R229 HydrophobicContact CB-CG 3.73Å; I150-R229 HydrophobicContact CD1-CG 4.36Å; I150-R229 HydrophobicContact CG2-CB 4.28Å; I150-R229 HydrophobicContact CG2-CG 3.6Å; I150-R229 PolarHBondContact O-NE 2.78Å; I150-R229 PolarHBondContact O-NH2 3.24Å; S217-R229 WeakPolarHBondContact CA-O 2.97Å; C218-R229 PolarHBondContact N-O 2.97Å; C218-R229 PolarHBondContact O-N 3.48Å
230D95.6Very high95.8Very high54 Ų5448.8 Ų48.829%0.28926%0.263SS..EExtended strand (participates in β ladder)trans-92.6144176-73.77.2000110.8R215 Y216 S217 H228R215-D230 WeakPolarHBondContact CD-OD2 3.49Å; R215-D230 HydrophobicContact CG-CB 4.38Å; R215-D230 IonicContact CZ-OD2 2.68Å; R215-D230 IonicContact NE-OD2 3.64Å; R215-D230 IonicContact NH1-OD2 3.96Å; R215-D230 PolarHBondContact NH1-OD2 3.1Å; Y216-D230 CarbonylContact O-C 3.55Å; Y216-D230 WeakPolarHBondContact O-CA 3.34Å; S217-D230 VanDerWaalsContact CB-OD1 3.27Å; S217-D230 WeakPolarHBondContact CB-OD1 3.14Å; S217-D230 PolarHBondContact OG-OD1 2.84Å; H228-D230 IonicContact CD2-OD1 3.33Å
231V96.4Very high95.8Very high4 Ų449.6 Ų49.62%0.02427%0.267CS..EExtended strand (participates in β ladder)trans-143127.5171.553.60000109.7A154 V157 L167 W182 Y216A154-V231 WeakPolarHBondContact O-CG2 3.49Å; V157-V231 HydrophobicContact CB-CG2 4.31Å; V157-V231 HydrophobicContact CG2-CG2 3.71Å; L167-V231 HydrophobicContact CB-CG1 4.32Å; L167-V231 HydrophobicContact CD1-CG1 4.1Å; L167-V231 HydrophobicContact CD2-CG1 4.4Å; L167-V231 HydrophobicContact CD2-CG2 4.22Å; W182-V231 HydrophobicContact CH2-CG1 4.35Å; W182-V231 HydrophobicContact CZ3-CG1 4.09Å; Y216-V231 PolarHBondContact N-O 3.12Å; Y216-V231 PolarHBondContact O-N 3.32Å
232E96.9Very high95.7Very high71 Ų7150.7 Ų50.733%0.33227%0.269SS..EExtended strand (participates in β ladder)trans-84118.6176.6-171.962.5-15300110P155 T156 V157 G214 R215 V234P155-E232 PolarHBondContact O-N 3.36Å; T156-E232 CarbonylContact C-O 3.6Å; T156-E232 VanDerWaalsContact CA-O 3.3Å; T156-E232 WeakPolarHBondContact CA-O 3.38Å; T156-E232 HydrophobicContact CG2-CB 4.21Å; T156-E232 HydrophobicContact CG2-CG 4.48Å; V157-E232 PolarHBondContact N-O 2.82Å; G214-E232 WeakPolarHBondContact CA-OE1 3.2Å; R215-E232 WeakPolarHBondContact CA-OE2 3.27Å; R215-E232 WeakPolarHBondContact CB-OE2 3.38Å; E232-V234 HydrophobicContact CG-CG2 4.09Å
233L96.9Very high95.5Very high0 Ų055.2 Ų55.20%030%0.3CS..EExtended strand (participates in β ladder)trans-93.2108.7174.9179.354.7000110.1V157 V159 V165 L167 L205 H212 A213 G214 Y216 V235V157-L233 HydrophobicContact CB-CD1 4.4Å; V157-L233 HydrophobicContact CG1-CD1 4.19Å; V159-L233 HydrophobicContact CG1-CD1 3.77Å; V165-L233 HydrophobicContact CG1-CD1 4.42Å; V165-L233 HydrophobicContact CG1-CD2 4.3Å; V165-L233 HydrophobicContact CG2-CD1 4.27Å; L167-L233 HydrophobicContact CD1-CB 4.46Å; L167-L233 HydrophobicContact CD1-CD2 4.38Å; L167-L233 HydrophobicContact CD2-CD1 4.46Å; L205-L233 HydrophobicContact CD1-CD2 3.63Å; H212-L233 WeakPolarHBondContact O-CD2 3.38Å; A213-L233 VanDerWaalsContact CA-O 3.24Å; A213-L233 WeakPolarHBondContact CA-O 3.46Å; G214-L233 PolarHBondContact N-O 3.35Å; G214-L233 PolarHBondContact O-N 2.97Å; Y216-L233 HydrophobicContact CD2-CB 3.84Å; Y216-L233 HydrophobicContact CD2-CD2 4.46Å; Y216-L233 HydrophobicContact CE2-CB 3.81Å; Y216-L233 HydrophobicContact CE2-CD2 3.84Å; Y216-L233 HydrophobicContact CE2-CG 4.42Å; L233-V235 HydrophobicContact CG-CG2 4.24Å
234V97.1Very high95.4Very high36 Ų3652.5 Ų52.522%0.21828%0.283CS..EExtended strand (participates in β ladder)trans-101.5103176.2179.10000109.3T156 V157 R158 V159 E232 Q236T156-V234 HydrophobicContact CG2-CB 4.46Å; T156-V234 HydrophobicContact CG2-CG2 3.7Å; V157-V234 PolarHBondContact O-N 3.37Å; R158-V234 WeakPolarHBondContact CA-O 3.36Å; R158-V234 HydrophobicContact CG-CB 4.21Å; V159-V234 PolarHBondContact N-O 2.8Å; V159-V234 VanDerWaalsContact N-O 3.14Å; E232-V234 HydrophobicContact CG-CG2 4.09Å; V234-Q236 HydrophobicContact CG1-CG 4.18Å; V234-Q236 PolarHBondContact O-N 2.78Å
235V97.5Very high95.6Very high3 Ų353.4 Ų53.42%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-80.4117.9171.2-173.20000109V159 E161 A208 L209 A213 L233 V265V159-V235 HydrophobicContact CG1-CG2 4.15Å; V159-V235 CarbonylContact O-C 3.56Å; V159-V235 WeakPolarHBondContact O-CA 3.43Å; E161-V235 HydrophobicContact CB-CG1 4Å; E161-V235 HydrophobicContact CG-CG1 4.47Å; A208-V235 HydrophobicContact CB-CG1 4.01Å; A208-V235 HydrophobicContact CB-CG2 3.97Å; L209-V235 WeakPolarHBondContact O-CG2 3.48Å; A213-V235 HydrophobicContact CB-CB 4.45Å; A213-V235 HydrophobicContact CB-CG2 4.27Å; L233-V235 HydrophobicContact CG-CG2 4.24Å; V235-V265 WeakPolarHBondContact O-CG1 3.47Å
236Q97.8Very high95.6Very high29 Ų2955.6 Ų55.614%0.13630%0.298CS..EExtended strand (participates in β ladder)trans-96.1137-175.5-62.2-166.7-84.600110.8R158 V159 E161 V234 V265 T314 V315R158-Q236 HydrophobicContact CB-CG 4.5Å; V159-Q236 PolarHBondContact O-N 3.49Å; E161-Q236 PolarHBondContact N-O 3.49Å; V234-Q236 HydrophobicContact CG1-CG 4.18Å; V234-Q236 PolarHBondContact O-N 2.78Å; Q236-V265 CarbonylContact C-O 3.48Å; Q236-V265 VanDerWaalsContact CA-O 3.28Å; Q236-V265 WeakPolarHBondContact CA-O 3.44Å; Q236-T314 PolarHBondContact NE2-OG1 3.28Å; Q236-V315 HydrophobicContact CB-CG2 3.78Å; Q236-V315 HydrophobicContact CG-CG2 4.47Å
237V97.5Very high95.7Very high26 Ų2656.4 Ų56.416%0.15829%0.293CS..EExtended strand (participates in β ladder)trans-124.9126.9-176.7-174.50000107.9E161 V265 N313E161-V237 HydrophobicContact CB-CG2 4.21Å; V237-V265 HydrophobicContact CB-CB 4.06Å; V237-V265 HydrophobicContact CB-CG2 4.15Å; V237-V265 HydrophobicContact CG2-CB 4.07Å; V237-V265 HydrophobicContact CG2-CG2 3.95Å; V237-V265 PolarHBondContact N-O 2.92Å; V237-V265 PolarHBondContact O-N 2.82Å; V237-N313 PolarHBondContact O-ND2 2.85Å
238P96.8Very high95.7Very high57 Ų5755.3 Ų55.337%0.3729%0.288SS..EExtended strand (participates in β ladder)trans-66.6159.4177.530-35.2000111R240 V315P238-R240 PolarHBondContact O-N 2.69Å; P238-V315 HydrophobicContact CB-CG1 4.27Å
239P97.6Very high95.7Very high9 Ų955.5 Ų55.56%0.05829%0.292CS..EExtended strand (participates in β ladder)trans-64.4137.6-178.7-2236.4000111.4S263 P268 A311 N313 G316 S318P239-S263 CarbonylContact C-O 3.59Å; P239-S263 VanDerWaalsContact CA-O 3.31Å; P239-S263 WeakPolarHBondContact CA-O 3.45Å; P239-P268 HydrophobicContact CB-CB 3.93Å; P239-P268 HydrophobicContact CB-CG 4.44Å; P239-P268 HydrophobicContact CG-CB 4.07Å; P239-A311 HydrophobicContact CB-CB 3.78Å; P239-A311 WeakPolarHBondContact CB-O 3.46Å; P239-N313 WeakPolarHBondContact CD-OD1 3.36Å; P239-N313 HydrophobicContact CG-CB 4.07Å; P239-G316 WeakPolarHBondContact CD-O 3.35Å; P239-G316 WeakPolarHBondContact CG-O 3.35Å; P239-S318 WeakPolarHBondContact O-CB 3.3Å
240R96.4Very high95.8Very high156 Ų15651.5 Ų51.559%0.58928%0.278SS*.EExtended strand (participates in β ladder)trans-133111.1173.7-178.4174.7180-111.9-0.3109.8P238 A262 S263P238-R240 PolarHBondContact O-N 2.69Å; R240-A262 CarbonylContact O-C 3.51Å; R240-A262 VanDerWaalsContact O-CA 3.23Å; R240-A262 WeakPolarHBondContact O-CA 3.18Å; R240-A262 WeakPolarHBondContact O-CB 3.44Å; R240-S263 PolarHBondContact N-O 2.93Å; R240-S263 PolarHBondContact O-N 2.9Å; R240-S263 PolarHBondContact O-OG 2.79Å
241I96.4Very high95.8Very high17 Ų1751.9 Ų51.99%0.08728%0.28CS..EExtended strand (participates in β ladder)trans-67.6136.4170.9-63164.6000108.6A262 A311 S318 Q320I241-A262 HydrophobicContact CG1-CB 4.03Å; I241-A311 HydrophobicContact CD1-CB 4.31Å; I241-A311 HydrophobicContact CG1-CB 3.87Å; I241-S318 WeakPolarHBondContact CD1-O 3.28Å; I241-Q320 HydrophobicContact CD1-CB 3.86Å; I241-Q320 HydrophobicContact CG2-CB 4.14Å
242H95.1Very high95.7Very high70 Ų7054.9 Ų54.932%0.32429%0.294SS..PPolyproline II helixtrans-80.1149176.3-60.389000110.5T244 V261 S263H242-T244 PolarHBondContact O-N 2.84Å; H242-V261 PolarHBondContact N-O 3.04Å; H242-V261 PolarHBondContact ND1-O 3.02Å; H242-S263 PolarHBondContact CE1-N 2.9Å; H242-S263 PolarHBondContact CE1-OG 2.88Å; H242-S263 PolarHBondContact NE2-OG 2.93Å
243P91.3Very high95.5Very high119 Ų11953.8 Ų53.877%0.77330%0.302SS*.PPolyproline II helixtrans-57.7121.1176.8-24.634.8000112.2
244T90.3Very high95.4Very high44 Ų4457.7 Ų57.727%0.2733%0.325SS..  trans-130.1170.117453.60000110H242 T246 P259H242-T244 PolarHBondContact O-N 2.84Å; T244-T246 PolarHBondContact O-N 2.9Å; T244-P259 HydrophobicContact CG2-CB 4.44Å; T244-P259 HydrophobicContact CG2-CG 4.26Å; T244-P259 PolarHBondContact OG1-O 2.96Å
245A92.2Very high95.3Very high59 Ų5958.8 Ų58.849%0.48834%0.338SS..  trans-64.5127.917600000110.4H248 M322A245-H248 PolarHBondContact O-CD2 2.78Å; A245-H248 PolarHBondContact O-NE2 2.59Å; A245-H248 VanDerWaalsContact O-NE2 3.09Å; A245-M322 WeakPolarHBondContact O-CE 3.32Å
246T94.3Very high95.2Very high76 Ų7659 Ų5947%0.46634%0.341SS..SBendtrans-91.1-4.3-179.353.90000113.6T244 M322 R323T244-T246 PolarHBondContact O-N 2.9Å; T246-M322 CarbonylContact O-C 3.54Å; T246-M322 WeakPolarHBondContact O-CA 3.34Å; T246-R323 PolarHBondContact O-N 3.39Å
247H96.6Very high95.1Very high90 Ų9060.6 Ų60.642%0.41735%0.354SS..EExtended strand (participates in β ladder)trans-129.8130.1171.8-175.9-132.2000110.3R323 S325H247-R323 WeakPolarHBondContact CA-O 3.44Å; H247-R323 PolarHBondContact CD2-O 2.6Å; H247-S325 PolarHBondContact NE2-OG 3.21Å
248H96.4Very high95Very high39 Ų3959.3 Ų59.318%0.18135%0.347CS..EExtended strand (participates in β ladder)trans-124.7144.4179.6-73.5-101.4000109.9A245 S257 L258 P259 M322 R323 L324 S325A245-H248 PolarHBondContact O-CD2 2.78Å; A245-H248 PolarHBondContact O-NE2 2.59Å; A245-H248 VanDerWaalsContact O-NE2 3.09Å; H248-S257 PolarHBondContact CE1-O 2.83Å; H248-S257 PolarHBondContact ND1-O 3.27Å; H248-L258 HydrophobicContact CB-CD2 3.57Å; H248-L258 VanDerWaalsContact CG-CD2 3.4Å; H248-P259 VanDerWaalsContact CE1-CD 3.43Å; H248-P259 WeakPolarHBondContact CE1-CD 3.17Å; H248-M322 WeakPolarHBondContact NE2-CE 3.19Å; H248-R323 PolarHBondContact N-O 3.46Å; H248-L324 HydrophobicContact CB-CD1 4.1Å; H248-S325 PolarHBondContact O-N 2.97Å
249I96.1Very high94.9Very high108 Ų10858.4 Ų58.455%0.55434%0.341SS*.EExtended strand (participates in β ladder)trans-128.2133.5179.4-52179.5000108.3S325 N327I249-S325 WeakPolarHBondContact CA-O 3.03Å; I249-N327 VanDerWaalsContact CG2-ND2 3.29Å; I249-N327 WeakPolarHBondContact CG2-ND2 3.45Å
250T96.3Very high94.8Very high15 Ų1558 Ų589%0.09234%0.338CS..EExtended strand (participates in β ladder)trans-136.7171170-1640000110.5V254 A256 P299 L324 S325 V326 N327T250-V254 PolarHBondContact OG1-O 2.9Å; T250-A256 HydrophobicContact CG2-CB 4.04Å; T250-P299 HydrophobicContact CG2-CB 3.85Å; T250-P299 HydrophobicContact CG2-CG 4.05Å; T250-L324 HydrophobicContact CG2-CD1 4.25Å; T250-S325 PolarHBondContact N-O 3.28Å; T250-V326 HydrophobicContact CG2-CB 4.4Å; T250-V326 HydrophobicContact CG2-CG1 4.23Å; T250-V326 HydrophobicContact CG2-CG2 3.97Å; T250-N327 PolarHBondContact O-N 3.17Å; T250-N327 PolarHBondContact O-ND2 3.13Å
251N95.4Very high94.7Very high61 Ų6153.5 Ų53.533%0.32633%0.328SS..EExtended strand (participates in β ladder)trans-100.1153.5169.6-67.8-6.8000110.8G253 V254 N327N251-G253 PolarHBondContact O-N 2.81Å; N251-V254 HydrophobicContact CB-CB 4.47Å; N251-V254 HydrophobicContact CB-CG2 4.06Å; N251-V254 WeakPolarHBondContact O-CB 3.42Å; N251-V254 PolarHBondContact O-N 2.88Å; N251-N327 CarbonylContact C-O 3.54Å; N251-N327 WeakPolarHBondContact OD1-CB 3.42Å; N251-N327 PolarHBondContact OD1-ND2 3.02Å
252E94.6Very high94.7Very high67 Ų6753.7 Ų53.731%0.31333%0.332SS..THydrogen-bonded Turntrans-50.5122.8176.9-170.9175.9-162.600110.9V254 P299 V326 N327 T328 R331E252-V254 VanDerWaalsContact C-N 3.33Å; E252-V254 PolarHBondContact O-N 2.88Å; E252-P299 WeakPolarHBondContact CA-O 3.4Å; E252-V326 HydrophobicContact CB-CG1 4.43Å; E252-N327 PolarHBondContact N-O 2.9Å; E252-T328 HydrophobicContact CB-CG2 4.22Å; E252-T328 HydrophobicContact CG-CG2 4.33Å; E252-R331 IonicContact OE1-NH2 3.42Å; E252-R331 PolarHBondContact OE1-NH2 3.11Å; E252-R331 IonicContact OE2-NH2 2.7Å; E252-R331 PolarHBondContact OE2-NH2 3.33Å
253G92.3Very high94.7Very high48 Ų4852.6 Ų52.650%0.49533%0.332SS..THydrogen-bonded Turntrans81.8-8.4-176.700000116.3N251 P299N251-G253 PolarHBondContact O-N 2.81Å; G253-P299 PolarHBondContact N-O 2.02Å
254V94.9Very high94.9Very high83 Ų8347.7 Ų47.750%0.50330%0.303SS..SBendtrans-91.3118.1176.8-178.80000109.8T250 N251 E252 A256 P299T250-V254 PolarHBondContact OG1-O 2.9Å; N251-V254 HydrophobicContact CB-CB 4.47Å; N251-V254 HydrophobicContact CB-CG2 4.06Å; N251-V254 WeakPolarHBondContact O-CB 3.42Å; N251-V254 PolarHBondContact O-N 2.88Å; E252-V254 VanDerWaalsContact C-N 3.33Å; E252-V254 PolarHBondContact O-N 2.88Å; V254-A256 PolarHBondContact O-N 2.89Å; V254-P299 WeakPolarHBondContact O-CD 3.15Å; V254-P299 VanDerWaalsContact O-CG 3.26Å; V254-P299 WeakPolarHBondContact O-CG 3.41Å
255A94.9Very high95.2Very high59 Ų5947.5 Ų47.549%0.48830%0.302SS..  trans-52131-174.300000113.2I296A255-I296 WeakPolarHBondContact CA-O 3.2Å
256A95.6Very high95.4Very high8 Ų846.9 Ų46.97%0.06629%0.293CS..EExtended strand (participates in β ladder)trans-107.5146.7-178.700000111.8T250 V254 L295 I296 P299 L324T250-A256 HydrophobicContact CG2-CB 4.04Å; V254-A256 PolarHBondContact O-N 2.89Å; A256-L295 WeakPolarHBondContact O-CA 3.38Å; A256-I296 HydrophobicContact CB-CB 4.42Å; A256-I296 HydrophobicContact CB-CD1 4.5Å; A256-I296 PolarHBondContact N-O 3.49Å; A256-I296 PolarHBondContact O-N 2.87Å; A256-P299 HydrophobicContact CB-CG 3.8Å; A256-L324 HydrophobicContact CB-CD1 4.21Å; A256-L324 HydrophobicContact CB-CD2 4.31Å
257S95.1Very high95.5Very high61 Ų6147.3 Ų47.343%0.42730%0.304SS..EExtended strand (participates in β ladder)trans-130.6121.1-178.9-178.20000110.2H248 T293 L294H248-S257 PolarHBondContact CE1-O 2.83Å; H248-S257 PolarHBondContact ND1-O 3.27Å; S257-T293 WeakPolarHBondContact OG-CG2 3.33Å; S257-L294 WeakPolarHBondContact CA-O 3.38Å
258L96Very high95.4Very high0 Ų044.2 Ų44.20%029%0.292CS..EExtended strand (participates in β ladder)trans-111.5102.8177.2-52.7-175.5000108.7H248 W272 T293 L294 Y307H248-L258 HydrophobicContact CB-CD2 3.57Å; H248-L258 VanDerWaalsContact CG-CD2 3.4Å; L258-W272 HydrophobicContact CB-CH2 3.5Å; L258-W272 VanDerWaalsContact CB-CH2 3.5Å; L258-W272 HydrophobicContact CB-CZ2 4.25Å; L258-W272 HydrophobicContact CB-CZ3 4.01Å; L258-W272 HydrophobicContact CD1-CH2 4.45Å; L258-W272 HydrophobicContact CD1-CZ3 4.1Å; L258-W272 WeakPolarHBondContact O-CH2 3.42Å; L258-W272 WeakPolarHBondContact O-CZ2 3.46Å; L258-T293 WeakPolarHBondContact O-CA 3.49Å; L258-L294 HydrophobicContact CB-CB 4.42Å; L258-L294 HydrophobicContact CD1-CD2 4.36Å; L258-L294 PolarHBondContact N-O 3.04Å; L258-L294 PolarHBondContact O-N 3.34Å; L258-Y307 HydrophobicContact CD1-CD1 4.18Å; L258-Y307 HydrophobicContact CD1-CD2 3.92Å; L258-Y307 HydrophobicContact CD1-CE2 4.49Å; L258-Y307 HydrophobicContact CD1-CG 3.75Å
259P95.3Very high95.4Very high38 Ų3846.8 Ų46.825%0.24731%0.311CS..  trans-81.1124-17530.7-33.6000112.3T244 H248 T293 M322T244-P259 HydrophobicContact CG2-CB 4.44Å; T244-P259 HydrophobicContact CG2-CG 4.26Å; T244-P259 PolarHBondContact OG1-O 2.96Å; H248-P259 VanDerWaalsContact CE1-CD 3.43Å; H248-P259 WeakPolarHBondContact CE1-CD 3.17Å; P259-T293 HydrophobicContact CB-CG2 4.5Å; P259-M322 HydrophobicContact CG-CE 4.47Å; P259-M322 WeakPolarHBondContact O-CE 3.44Å
260C94.9Very high95.3Very high0 Ų043.1 Ų43.10%029%0.292CS..  trans-132.991173-175.80000110.9I270 W272 G292 C309C260-I270 HydrophobicContact CB-CG2 4.49Å; C260-W272 HydrophobicContact CB-CH2 3.95Å; C260-W272 HydrophobicContact CB-CZ2 3.4Å; C260-G292 CarbonylContact O-C 3.51Å; C260-G292 WeakPolarHBondContact O-CA 3.48Å; C260-C309 HydrophobicContact CB-CB 3.44Å; C260-C309 VanDerWaalsContact CB-CB 3.44Å; C260-C309 WeakPolarHBondContact CB-SG 3.48Å; C260-C309 WeakPolarHBondContact SG-CB 3.46Å; C260-C309 CovalentContact SG-SG 2.03Å; C260-C309 PolarHBondContact SG-SG 3.25Å
261V94.6Very high95.2Very high62 Ų6245.7 Ų45.738%0.37631%0.308SS..  trans-102.1127.3179.8-177.60000108.9H242H242-V261 PolarHBondContact N-O 3.04Å; H242-V261 PolarHBondContact ND1-O 3.02Å
262A96.1Very high95.2Very high20 Ų2043 Ų4317%0.16529%0.293CS..EExtended strand (participates in β ladder)trans-126.8145.417900000113.2R240 I241 P268 I270 A311R240-A262 CarbonylContact O-C 3.51Å; R240-A262 VanDerWaalsContact O-CA 3.23Å; R240-A262 WeakPolarHBondContact O-CA 3.18Å; R240-A262 WeakPolarHBondContact O-CB 3.44Å; I241-A262 HydrophobicContact CG1-CB 4.03Å; A262-P268 HydrophobicContact CB-CG 3.87Å; A262-I270 HydrophobicContact CB-CD1 3.79Å; A262-A311 HydrophobicContact CB-CB 3.45Å; A262-A311 VanDerWaalsContact CB-CB 3.45Å
263S95.6Very high95.2Very high48 Ų4841.6 Ų41.634%0.33629%0.289SS..EExtended strand (participates in β ladder)trans-97.6158.8169.144.80000110.8P239 R240 H242P239-S263 CarbonylContact C-O 3.59Å; P239-S263 VanDerWaalsContact CA-O 3.31Å; P239-S263 WeakPolarHBondContact CA-O 3.45Å; R240-S263 PolarHBondContact N-O 2.93Å; R240-S263 PolarHBondContact O-N 2.9Å; R240-S263 PolarHBondContact O-OG 2.79Å; H242-S263 PolarHBondContact CE1-N 2.9Å; H242-S263 PolarHBondContact CE1-OG 2.88Å; H242-S263 PolarHBondContact NE2-OG 2.93Å
264G95.9Very high95.2Very high16 Ų1640.1 Ų40.117%0.16527%0.269CS..EExtended strand (participates in β ladder)trans165.5161177.700000112P266 A267G264-P266 CarbonylContact C-O 3.57Å; G264-P266 CarbonylContact O-C 3.51Å; G264-A267 PolarHBondContact O-N 2.86Å
265V96.4Very high94.4Very high39 Ų3941.6 Ų41.624%0.23627%0.271CS..EExtended strand (participates in β ladder)trans-134.7109.7177.1-1760000109.4V235 Q236 V237V235-V265 WeakPolarHBondContact O-CG1 3.47Å; Q236-V265 CarbonylContact C-O 3.48Å; Q236-V265 VanDerWaalsContact CA-O 3.28Å; Q236-V265 WeakPolarHBondContact CA-O 3.44Å; V237-V265 HydrophobicContact CB-CB 4.06Å; V237-V265 HydrophobicContact CB-CG2 4.15Å; V237-V265 HydrophobicContact CG2-CB 4.07Å; V237-V265 HydrophobicContact CG2-CG2 3.95Å; V237-V265 PolarHBondContact N-O 2.92Å; V237-V265 PolarHBondContact O-N 2.82Å
266P96.2Very high93.5Very high47 Ų4745.3 Ų45.331%0.30529%0.287SS..SBendcis-60.8159.4-0.7-22.134.5000113.7G264 N313 T314G264-P266 CarbonylContact C-O 3.57Å; G264-P266 CarbonylContact O-C 3.51Å; P266-N313 WeakPolarHBondContact O-CB 3.31Å; P266-N313 PolarHBondContact O-ND2 3.47Å; P266-T314 WeakPolarHBondContact CD-OG1 3.48Å
267A95.3Very high93Very high85 Ų8550.1 Ų50.170%0.70231%0.312SS*.PPolyproline II helixtrans-54.2131.5177.200000110.8G264G264-A267 PolarHBondContact O-N 2.86Å
268P96.3Very high92.6Very high24 Ų2451.1 Ų51.116%0.15632%0.323CS..PPolyproline II helixtrans-80.5143.1-171.631-34.9000113.3P239 A262 A311 T312 N313P239-P268 HydrophobicContact CB-CB 3.93Å; P239-P268 HydrophobicContact CB-CG 4.44Å; P239-P268 HydrophobicContact CG-CB 4.07Å; A262-P268 HydrophobicContact CB-CG 3.87Å; P268-A311 HydrophobicContact CB-CB 4.18Å; P268-T312 CarbonylContact C-O 3.56Å; P268-T312 WeakPolarHBondContact CA-O 3.32Å; P268-T312 WeakPolarHBondContact CB-O 3.37Å; P268-N313 HydrophobicContact CB-CB 4.48Å
269T95.1Very high92.1Very high94 Ų9452.4 Ų52.458%0.57733%0.33SS*.EExtended strand (participates in β ladder)trans-81.4128.7166.7-57.40000109.2T312T269-T312 PolarHBondContact N-O 2.86Å; T269-T312 PolarHBondContact O-N 2.9Å; T269-T312 PolarHBondContact O-OG1 3.48Å
270I94.6Very high90.9Very high31 Ų3156.1 Ų56.116%0.15935%0.353CS..EExtended strand (participates in β ladder)trans-93130.5175.2-50-56.9000110C260 A262 C309 T310 A311C260-I270 HydrophobicContact CB-CG2 4.49Å; A262-I270 HydrophobicContact CB-CD1 3.79Å; I270-C309 HydrophobicContact CG2-CB 4.5Å; I270-T310 WeakPolarHBondContact CA-O 3.29Å; I270-A311 HydrophobicContact CD1-CB 3.52Å
271T94Very high89.3Confident68 Ų6858.5 Ų58.542%0.41737%0.369SS..EExtended strand (participates in β ladder)trans-124.2159169.360.30000110.2C309 T310T271-C309 CarbonylContact O-C 3.55Å; T271-C309 WeakPolarHBondContact O-CA 3.43Å; T271-T310 PolarHBondContact N-O 3.05Å; T271-T310 PolarHBondContact O-N 3.38Å
272W95.1Very high87.7Confident4 Ų467.2 Ų67.22%0.01540%0.395CS..EExtended strand (participates in β ladder)trans-128.6142.2-179.5-74.887.1000111L258 C260 L279 G292 L294 V308 C309 M322L258-W272 HydrophobicContact CB-CH2 3.5Å; L258-W272 VanDerWaalsContact CB-CH2 3.5Å; L258-W272 HydrophobicContact CB-CZ2 4.25Å; L258-W272 HydrophobicContact CB-CZ3 4.01Å; L258-W272 HydrophobicContact CD1-CH2 4.45Å; L258-W272 HydrophobicContact CD1-CZ3 4.1Å; L258-W272 WeakPolarHBondContact O-CH2 3.42Å; L258-W272 WeakPolarHBondContact O-CZ2 3.46Å; C260-W272 HydrophobicContact CB-CH2 3.95Å; C260-W272 HydrophobicContact CB-CZ2 3.4Å; W272-L279 HydrophobicContact CB-CB 4.27Å; W272-L279 HydrophobicContact CB-CD1 4.18Å; W272-L279 PolarHBondContact O-N 3.49Å; W272-G292 PolarHBondContact NE1-O 2.84Å; W272-L294 HydrophobicContact CB-CD2 4.43Å; W272-L294 HydrophobicContact CD2-CB 3.73Å; W272-L294 HydrophobicContact CD2-CD2 3.95Å; W272-L294 HydrophobicContact CD2-CG 4.44Å; W272-L294 VanDerWaalsContact CE2-CB 3.48Å; W272-L294 HydrophobicContact CE3-CB 4.22Å; W272-L294 HydrophobicContact CE3-CD2 3.87Å; W272-L294 HydrophobicContact CG-CB 4.12Å; W272-L294 HydrophobicContact CG-CD2 4.22Å; W272-L294 HydrophobicContact CH2-CB 4.2Å; W272-L294 HydrophobicContact CZ2-CB 3.73Å; W272-L294 HydrophobicContact CZ3-CB 4.43Å; W272-L294 HydrophobicContact CZ3-CD2 4.39Å; W272-V308 WeakPolarHBondContact CA-O 3.48Å; W272-C309 HydrophobicContact CD2-CB 3.68Å; W272-C309 HydrophobicContact CE3-CB 3.74Å; W272-C309 HydrophobicContact CG-CB 4.44Å; W272-C309 HydrophobicContact CH2-CB 3.75Å; W272-C309 HydrophobicContact CZ2-CB 3.65Å; W272-C309 HydrophobicContact CZ3-CB 3.78Å; W272-M322 HydrophobicContact CH2-SD 3.56Å; W272-M322 VanDerWaalsContact CH2-SD 3.56Å; W272-M322 HydrophobicContact CZ3-SD 4.07Å
273T94.2Very high86.3Confident38 Ų3867.8 Ų67.823%0.23340%0.403CS..EExtended strand (participates in β ladder)trans-127.6153168.671.80000110.9N277 Y307 V308T273-N277 CarbonylContact C-O 3.54Å; T273-N277 WeakPolarHBondContact CA-O 3.34Å; T273-N277 WeakPolarHBondContact CB-O 3.25Å; T273-Y307 CarbonylContact O-C 3.53Å; T273-Y307 VanDerWaalsContact O-CA 3.28Å; T273-Y307 WeakPolarHBondContact O-CA 3.42Å; T273-V308 PolarHBondContact N-O 2.94Å; T273-V308 PolarHBondContact O-N 3.12Å
274K92.6Very high85.4Confident17 Ų1772 Ų727%0.07443%0.429CS..EExtended strand (participates in β ladder)trans-131.4127.2168.5-176.5-167.8-164.3-79.30107.2T276 N277 L279 Q302 A304 Y307K274-T276 VanDerWaalsContact C-N 3.29Å; K274-T276 PolarHBondContact O-N 2.76Å; K274-N277 PolarHBondContact N-O 2.82Å; K274-N277 WeakPolarHBondContact O-CB 3.37Å; K274-N277 PolarHBondContact O-N 2.91Å; K274-L279 HydrophobicContact CB-CD1 4.27Å; K274-L279 HydrophobicContact CB-CD2 4.09Å; K274-L279 HydrophobicContact CB-CG 4.42Å; K274-Q302 WeakPolarHBondContact CE-O 3.14Å; K274-Q302 PolarHBondContact NZ-O 2.86Å; K274-A304 PolarHBondContact NZ-O 3.08Å; K274-Y307 HydrophobicContact CB-CD1 3.99Å; K274-Y307 HydrophobicContact CB-CE1 3.93Å; K274-Y307 HydrophobicContact CD-CE1 3.89Å; K274-Y307 HydrophobicContact CD-CE2 4.17Å; K274-Y307 WeakPolarHBondContact CD-OH 2.96Å; K274-Y307 WeakPolarHBondContact CE-OH 3.01Å; K274-Y307 HydrophobicContact CG-CD1 4.31Å; K274-Y307 HydrophobicContact CG-CE1 4.02Å; K274-Y307 HydrophobicContact CG-CE2 4.23Å
275E79.6Confident85Confident115 Ų11574.2 Ų74.254%0.53744%0.435SS..THydrogen-bonded Turntrans4750.8178.5-70.5139.3-139.800112.9N277E275-N277 PolarHBondContact O-N 3.46Å; E275-N277 VanDerWaalsContact O-N 3.08Å; E275-N277 PolarHBondContact O-ND2 2.79Å
276T75.8Confident84.7Confident136 Ų13674.5 Ų74.583%0.83443%0.432SS*.THydrogen-bonded Turntrans66.8-17.6-172.573.30000117.6K274K274-T276 VanDerWaalsContact C-N 3.29Å; K274-T276 PolarHBondContact O-N 2.76Å
277N85.5Confident84.5Confident110 Ų11076.3 Ų76.359%0.58844%0.44SS*.EExtended strand (participates in β ladder)trans-77.9131.6-179.8-67.3-74.4000111.6T273 K274 E275T273-N277 CarbonylContact C-O 3.54Å; T273-N277 WeakPolarHBondContact CA-O 3.34Å; T273-N277 WeakPolarHBondContact CB-O 3.25Å; K274-N277 PolarHBondContact N-O 2.82Å; K274-N277 WeakPolarHBondContact O-CB 3.37Å; K274-N277 PolarHBondContact O-N 2.91Å; E275-N277 PolarHBondContact O-N 3.46Å; E275-N277 VanDerWaalsContact O-N 3.08Å; E275-N277 PolarHBondContact O-ND2 2.79Å
278A85.6Confident84.2Confident81 Ų8173.6 Ų73.667%0.66941%0.414SS*.EExtended strand (participates in β ladder)trans-74.6127.917600000111.2T280A278-T280 PolarHBondContact O-N 3.49Å
279L84.9Confident83.9Confident28 Ų2874.6 Ų74.615%0.14742%0.421CS..  trans-85.9113.6-179.3-57.7-176.5000110.2W272 K274 S281 Y286 L294 Y307W272-L279 HydrophobicContact CB-CB 4.27Å; W272-L279 HydrophobicContact CB-CD1 4.18Å; W272-L279 PolarHBondContact O-N 3.49Å; K274-L279 HydrophobicContact CB-CD1 4.27Å; K274-L279 HydrophobicContact CB-CD2 4.09Å; K274-L279 HydrophobicContact CB-CG 4.42Å; L279-S281 PolarHBondContact O-N 3.34Å; L279-Y286 HydrophobicContact CD1-CE1 4.48Å; L279-Y286 HydrophobicContact CD2-CD2 4.06Å; L279-Y286 HydrophobicContact CD2-CE2 3.79Å; L279-L294 HydrophobicContact CD1-CD1 4.46Å; L279-L294 HydrophobicContact CD1-CD2 3.67Å; L279-Y307 HydrophobicContact CD1-CD1 3.73Å; L279-Y307 HydrophobicContact CD1-CE1 3.66Å
280T69.8Low83.4Confident116 Ų11680.1 Ų80.171%0.71244%0.438SS*.  trans-73.8115.7175.919.90000111A278 R282 G283A278-T280 PolarHBondContact O-N 3.49Å; T280-R282 PolarHBondContact O-N 2.88Å; T280-G283 PolarHBondContact O-N 3.45Å
281S61.3Low83Confident50 Ų5084 Ų8435%0.3546%0.455SS..THydrogen-bonded Turntrans-65.826.5-179.6-1690000115.5L279 V288L279-S281 PolarHBondContact O-N 3.34Å; S281-V288 WeakPolarHBondContact OG-CB 3.38Å; S281-V288 WeakPolarHBondContact OG-CG2 3.18Å; S281-V288 PolarHBondContact OG-N 3.3Å; S281-V288 VanDerWaalsContact OG-N 3.08Å
282R62.6Low82.8Confident245 Ų24580.9 Ų80.993%0.92544%0.436SS*.THydrogen-bonded Turntrans-142.625.9-176.9-61.3-174.6-174.9-100.51.2112.2T280T280-R282 PolarHBondContact O-N 2.88Å
283G66.6Low82.7Confident31 Ų3182 Ų8232%0.3244%0.443SS..SBendtrans-91.8159.9170.600000111.7T280 H285 Y286T280-G283 PolarHBondContact O-N 3.45Å; G283-H285 PolarHBondContact O-N 3.22Å; G283-Y286 PolarHBondContact N-O 3.08Å; G283-Y286 VanDerWaalsContact O-O 3.13Å
284P76.1Confident82.7Confident138 Ų13880.1 Ų80.190%0.89643%0.432SS*.SBendtrans-69.8-18.5171.629.6-35.1000112.9
285H88.1Confident82.8Confident61 Ų6182.9 Ų82.928%0.28245%0.447SS..SBendtrans-97-38.9-177.2-171.162.5000113.4G283 I296 A297 Q298 D303G283-H285 PolarHBondContact O-N 3.22Å; H285-I296 WeakPolarHBondContact O-CA 3.47Å; H285-A297 PolarHBondContact O-N 2.9Å; H285-Q298 PolarHBondContact CE1-O 2.91Å; H285-D303 IonicContact CD2-OD1 3.37Å; H285-D303 IonicContact CE1-OD1 3.46Å; H285-D303 IonicContact CE1-OD2 3.38Å; H285-D303 PolarHBondContact CE1-OD2 3.17Å; H285-D303 VanDerWaalsContact NE2-CG 3.29Å; H285-D303 IonicContact NE2-OD1 2.89Å; H285-D303 PolarHBondContact NE2-OD1 2.93Å; H285-D303 IonicContact NE2-OD2 3.4Å; H285-D303 PolarHBondContact NE2-OD2 3.08Å
286Y90.6Very high83.6Confident45 Ų4577.4 Ų77.418%0.17642%0.421CS..EExtended strand (participates in β ladder)trans-118.5124.7-178.6-63.4-54.7000111.1L279 G283 L294 I296 D303 Y307L279-Y286 HydrophobicContact CD1-CE1 4.48Å; L279-Y286 HydrophobicContact CD2-CD2 4.06Å; L279-Y286 HydrophobicContact CD2-CE2 3.79Å; G283-Y286 PolarHBondContact N-O 3.08Å; G283-Y286 VanDerWaalsContact O-O 3.13Å; Y286-L294 HydrophobicContact CD1-CD1 4.33Å; Y286-I296 HydrophobicContact CD1-CG1 3.91Å; Y286-I296 HydrophobicContact CD1-CG2 4.28Å; Y286-I296 HydrophobicContact CE1-CD1 4.36Å; Y286-I296 HydrophobicContact CE1-CG1 3.92Å; Y286-I296 HydrophobicContact CE1-CG2 4.06Å; Y286-D303 PolarHBondContact OH-OD1 2.88Å; Y286-D303 VanDerWaalsContact OH-OD1 3.05Å; Y286-Y307 HydrophobicContact CE1-CE1 4.3Å
287N90.4Very high84.3Confident86 Ų8672.9 Ų72.946%0.4640%0.398SS..EExtended strand (participates in β ladder)trans-136.3139.8178.1-173.29.9000109.8L295N287-L295 PolarHBondContact N-O 3.49Å; N287-L295 PolarHBondContact O-N 2.91Å
288V90.6Very high84.7Confident27 Ų2774.7 Ų74.716%0.16440%0.403CS..EExtended strand (participates in β ladder)trans-115.7127.9178.2-169.10000109.8S281 T293 L294S281-V288 WeakPolarHBondContact OG-CB 3.38Å; S281-V288 WeakPolarHBondContact OG-CG2 3.18Å; S281-V288 PolarHBondContact OG-N 3.3Å; S281-V288 VanDerWaalsContact OG-N 3.08Å; V288-T293 CarbonylContact C-O 3.5Å; V288-T293 WeakPolarHBondContact CA-O 3.42Å; V288-L294 HydrophobicContact CG2-CD1 3.99Å
289S88.2Confident85.1Confident45 Ų4570.9 Ų70.932%0.31537%0.371SS..  trans-69.1165.5178.891.20000112.1E291 G292 T293S289-E291 WeakPolarHBondContact CB-OE2 3.29Å; S289-E291 PolarHBondContact O-N 2.91Å; S289-E291 PolarHBondContact OG-N 2.92Å; S289-E291 PolarHBondContact OG-OE2 2.95Å; S289-G292 PolarHBondContact O-N 2.95Å; S289-T293 PolarHBondContact N-O 2.86Å; S289-T293 WeakPolarHBondContact OG-CB 3.43Å; S289-T293 PolarHBondContact OG-N 3.27Å
290K85.3Confident85.6Confident211 Ų21171.3 Ų71.392%0.91738%0.377SS*.THydrogen-bonded Turntrans-62.1-25.8177.6-66.9179178.9177.40112.4G292K290-G292 VanDerWaalsContact C-N 3.31Å
291E86.1Confident86.6Confident113 Ų11368.8 Ų68.853%0.52837%0.368SS..THydrogen-bonded Turntrans-85.6-3.5180-5069-147.500112.3S289S289-E291 WeakPolarHBondContact CB-OE2 3.29Å; S289-E291 PolarHBondContact O-N 2.91Å; S289-E291 PolarHBondContact OG-N 2.92Å; S289-E291 PolarHBondContact OG-OE2 2.95Å
292G90.6Very high88.1Confident2 Ų274.2 Ų74.22%0.02139%0.387CS..SBendtrans96.40.5177.100000116.1C260 W272 S289 K290C260-G292 CarbonylContact O-C 3.51Å; C260-G292 WeakPolarHBondContact O-CA 3.48Å; W272-G292 PolarHBondContact NE1-O 2.84Å; S289-G292 PolarHBondContact O-N 2.95Å; K290-G292 VanDerWaalsContact C-N 3.31Å
293T92.9Very high89.5Confident26 Ų2662.8 Ų62.816%0.1635%0.345CS..PPolyproline II helixtrans-74.6125.8-177.4-61.90000111.5S257 L258 P259 V288 S289S257-T293 WeakPolarHBondContact OG-CG2 3.33Å; L258-T293 WeakPolarHBondContact O-CA 3.49Å; P259-T293 HydrophobicContact CB-CG2 4.5Å; V288-T293 CarbonylContact C-O 3.5Å; V288-T293 WeakPolarHBondContact CA-O 3.42Å; S289-T293 PolarHBondContact N-O 2.86Å; S289-T293 WeakPolarHBondContact OG-CB 3.43Å; S289-T293 PolarHBondContact OG-N 3.27Å
294L94.5Very high90.9Very high0 Ų063 Ų630%034%0.343CS..EExtended strand (participates in β ladder)trans-83.4120.9173.3174.865.4000110.4S257 L258 W272 L279 Y286 V288 I296 Y307S257-L294 WeakPolarHBondContact CA-O 3.38Å; L258-L294 HydrophobicContact CB-CB 4.42Å; L258-L294 HydrophobicContact CD1-CD2 4.36Å; L258-L294 PolarHBondContact N-O 3.04Å; L258-L294 PolarHBondContact O-N 3.34Å; W272-L294 HydrophobicContact CB-CD2 4.43Å; W272-L294 HydrophobicContact CD2-CB 3.73Å; W272-L294 HydrophobicContact CD2-CD2 3.95Å; W272-L294 HydrophobicContact CD2-CG 4.44Å; W272-L294 VanDerWaalsContact CE2-CB 3.48Å; W272-L294 HydrophobicContact CE3-CB 4.22Å; W272-L294 HydrophobicContact CE3-CD2 3.87Å; W272-L294 HydrophobicContact CG-CB 4.12Å; W272-L294 HydrophobicContact CG-CD2 4.22Å; W272-L294 HydrophobicContact CH2-CB 4.2Å; W272-L294 HydrophobicContact CZ2-CB 3.73Å; W272-L294 HydrophobicContact CZ3-CB 4.43Å; W272-L294 HydrophobicContact CZ3-CD2 4.39Å; L279-L294 HydrophobicContact CD1-CD1 4.46Å; L279-L294 HydrophobicContact CD1-CD2 3.67Å; Y286-L294 HydrophobicContact CD1-CD1 4.33Å; V288-L294 HydrophobicContact CG2-CD1 3.99Å; L294-I296 HydrophobicContact CG-CG1 4.31Å; L294-Y307 HydrophobicContact CD2-CD1 3.57Å; L294-Y307 HydrophobicContact CD2-CE1 3.78Å
295L94.2Very high91.8Very high74 Ų7456.8 Ų56.839%0.38731%0.305SS..EExtended strand (participates in β ladder)trans-100131.2170.7-178.671.2000109.5A256 N287A256-L295 WeakPolarHBondContact O-CA 3.38Å; N287-L295 PolarHBondContact N-O 3.49Å; N287-L295 PolarHBondContact O-N 2.91Å
296I95Very high92.1Very high0 Ų055.3 Ų55.30%030%0.303CS..EExtended strand (participates in β ladder)trans-115.2113.3173-51.7163.6000107A255 A256 H285 Y286 L294 P299 Y307 L324A255-I296 WeakPolarHBondContact CA-O 3.2Å; A256-I296 HydrophobicContact CB-CB 4.42Å; A256-I296 HydrophobicContact CB-CD1 4.5Å; A256-I296 PolarHBondContact N-O 3.49Å; A256-I296 PolarHBondContact O-N 2.87Å; H285-I296 WeakPolarHBondContact O-CA 3.47Å; Y286-I296 HydrophobicContact CD1-CG1 3.91Å; Y286-I296 HydrophobicContact CD1-CG2 4.28Å; Y286-I296 HydrophobicContact CE1-CD1 4.36Å; Y286-I296 HydrophobicContact CE1-CG1 3.92Å; Y286-I296 HydrophobicContact CE1-CG2 4.06Å; L294-I296 HydrophobicContact CG-CG1 4.31Å; I296-P299 HydrophobicContact CB-CG 4.13Å; I296-P299 HydrophobicContact CG2-CB 4.3Å; I296-P299 HydrophobicContact CG2-CG 3.89Å; I296-Y307 HydrophobicContact CD1-CE1 4.16Å; I296-L324 HydrophobicContact CD1-CD2 3.44Å; I296-L324 VanDerWaalsContact CD1-CD2 3.44Å
297A92Very high92.4Very high42 Ų4253.2 Ų53.235%0.34730%0.295SS..SBendtrans-72.9-41.5-163.200000114.1H285H285-A297 PolarHBondContact O-N 2.9Å
298Q92.9Very high92.6Very high147 Ų14750.9 Ų50.969%0.68728%0.284SS*.SBendtrans-13776.4179-66-176.62.400110.2H285 S300H285-Q298 PolarHBondContact CE1-O 2.91Å; Q298-S300 PolarHBondContact O-N 2.94Å
299P94.9Very high92.9Very high1 Ų149.6 Ų49.61%0.00628%0.276CS..  trans-61.6131.9-173-24.636.4000112.9T250 E252 G253 V254 A256 I296 D303 V326T250-P299 HydrophobicContact CG2-CB 3.85Å; T250-P299 HydrophobicContact CG2-CG 4.05Å; E252-P299 WeakPolarHBondContact CA-O 3.4Å; G253-P299 PolarHBondContact N-O 2.02Å; V254-P299 WeakPolarHBondContact O-CD 3.15Å; V254-P299 VanDerWaalsContact O-CG 3.26Å; V254-P299 WeakPolarHBondContact O-CG 3.41Å; A256-P299 HydrophobicContact CB-CG 3.8Å; I296-P299 HydrophobicContact CB-CG 4.13Å; I296-P299 HydrophobicContact CG2-CB 4.3Å; I296-P299 HydrophobicContact CG2-CG 3.89Å; P299-D303 HydrophobicContact CB-CB 4.46Å; P299-V326 HydrophobicContact CB-CG1 4.33Å; P299-V326 HydrophobicContact CB-CG2 3.96Å
300S94.3Very high93.2Very high37 Ų3748.8 Ų48.826%0.25927%0.269SS..  trans-111.1175.6-179.975.30000111.7Q298 Q302 D303 V326Q298-S300 PolarHBondContact O-N 2.94Å; S300-Q302 PolarHBondContact O-N 3.14Å; S300-Q302 VanDerWaalsContact O-N 3.12Å; S300-Q302 PolarHBondContact OG-N 2.93Å; S300-Q302 VanDerWaalsContact OG-N 3.15Å; S300-D303 WeakPolarHBondContact CA-OD2 3.32Å; S300-D303 WeakPolarHBondContact CB-OD2 3.42Å; S300-D303 PolarHBondContact N-OD2 2.82Å; S300-D303 PolarHBondContact O-N 2.93Å; S300-D303 PolarHBondContact OG-OD2 2.82Å; S300-V326 WeakPolarHBondContact O-CG2 3.3Å
301A91.9Very high93.8Very high63 Ų6338.8 Ų38.852%0.52123%0.226SC..THydrogen-bonded Turntrans-53.8-28.5170.100000113.8T328A301-T328 HydrophobicContact CB-CG2 3.95Å
302Q91.9Very high94.3Very high164 Ų16435.7 Ų35.777%0.76622%0.215SC*.THydrogen-bonded Turntrans-81.4-17.6-178.7-59.6-1780.900112.7K274 S300K274-Q302 WeakPolarHBondContact CE-O 3.14Å; K274-Q302 PolarHBondContact NZ-O 2.86Å; S300-Q302 PolarHBondContact O-N 3.14Å; S300-Q302 VanDerWaalsContact O-N 3.12Å; S300-Q302 PolarHBondContact OG-N 2.93Å; S300-Q302 VanDerWaalsContact OG-N 3.15Å
303D93.5Very high94.6Very high5 Ų537 Ų373%0.02722%0.222CC..THydrogen-bonded Turntrans-83.5-13.2178.4-61.5-70.4000112.7H285 Y286 P299 S300 G305 Y307 V326H285-D303 IonicContact CD2-OD1 3.37Å; H285-D303 IonicContact CE1-OD1 3.46Å; H285-D303 IonicContact CE1-OD2 3.38Å; H285-D303 PolarHBondContact CE1-OD2 3.17Å; H285-D303 VanDerWaalsContact NE2-CG 3.29Å; H285-D303 IonicContact NE2-OD1 2.89Å; H285-D303 PolarHBondContact NE2-OD1 2.93Å; H285-D303 IonicContact NE2-OD2 3.4Å; H285-D303 PolarHBondContact NE2-OD2 3.08Å; Y286-D303 PolarHBondContact OH-OD1 2.88Å; Y286-D303 VanDerWaalsContact OH-OD1 3.05Å; P299-D303 HydrophobicContact CB-CB 4.46Å; S300-D303 WeakPolarHBondContact CA-OD2 3.32Å; S300-D303 WeakPolarHBondContact CB-OD2 3.42Å; S300-D303 PolarHBondContact N-OD2 2.82Å; S300-D303 PolarHBondContact O-N 2.93Å; S300-D303 PolarHBondContact OG-OD2 2.82Å; D303-G305 PolarHBondContact O-N 3.46Å; D303-Y307 VanDerWaalsContact O-CE2 3.3Å; D303-Y307 WeakPolarHBondContact O-CE2 3.16Å; D303-Y307 PolarHBondContact O-OH 2.98Å; D303-V326 HydrophobicContact CB-CG2 4.31Å
304A94.6Very high94.8Very high35 Ų3540.9 Ų40.929%0.28925%0.245SC..  trans-61.5138.7166.500000110.1K274 L324 V326K274-A304 PolarHBondContact NZ-O 3.08Å; A304-L324 WeakPolarHBondContact CA-O 3.22Å; A304-V326 HydrophobicContact CB-CB 4.38Å; A304-V326 HydrophobicContact CB-CG2 4.32Å
305G94.5Very high94.8Very high9 Ų943.2 Ų43.29%0.09326%0.259CS..EExtended strand (participates in β ladder)trans157.7-169.8-176.100000114.5D303 R323 L324D303-G305 PolarHBondContact O-N 3.46Å; G305-R323 WeakPolarHBondContact O-CA 3.29Å; G305-L324 PolarHBondContact N-O 3.35Å; G305-L324 PolarHBondContact O-N 2.94Å
306A95.6Very high94.9Very high30 Ų3041 Ų4125%0.24825%0.254CS..EExtended strand (participates in β ladder)trans-100.9129.2171.700000110E321A306-E321 HydrophobicContact CB-CG 4.22Å
307Y95.9Very high95Very high0 Ų048 Ų480%029%0.285CS..EExtended strand (participates in β ladder)trans-115.1134.5176.4-70.2-103.7000108.5L258 T273 K274 L279 Y286 L294 I296 D303 E321 M322 L324L258-Y307 HydrophobicContact CD1-CD1 4.18Å; L258-Y307 HydrophobicContact CD1-CD2 3.92Å; L258-Y307 HydrophobicContact CD1-CE2 4.49Å; L258-Y307 HydrophobicContact CD1-CG 3.75Å; T273-Y307 CarbonylContact O-C 3.53Å; T273-Y307 VanDerWaalsContact O-CA 3.28Å; T273-Y307 WeakPolarHBondContact O-CA 3.42Å; K274-Y307 HydrophobicContact CB-CD1 3.99Å; K274-Y307 HydrophobicContact CB-CE1 3.93Å; K274-Y307 HydrophobicContact CD-CE1 3.89Å; K274-Y307 HydrophobicContact CD-CE2 4.17Å; K274-Y307 WeakPolarHBondContact CD-OH 2.96Å; K274-Y307 WeakPolarHBondContact CE-OH 3.01Å; K274-Y307 HydrophobicContact CG-CD1 4.31Å; K274-Y307 HydrophobicContact CG-CE1 4.02Å; K274-Y307 HydrophobicContact CG-CE2 4.23Å; L279-Y307 HydrophobicContact CD1-CD1 3.73Å; L279-Y307 HydrophobicContact CD1-CE1 3.66Å; Y286-Y307 HydrophobicContact CE1-CE1 4.3Å; L294-Y307 HydrophobicContact CD2-CD1 3.57Å; L294-Y307 HydrophobicContact CD2-CE1 3.78Å; I296-Y307 HydrophobicContact CD1-CE1 4.16Å; D303-Y307 VanDerWaalsContact O-CE2 3.3Å; D303-Y307 WeakPolarHBondContact O-CE2 3.16Å; D303-Y307 PolarHBondContact O-OH 2.98Å; Y307-E321 CarbonylContact O-C 3.28Å; Y307-E321 WeakPolarHBondContact O-CA 3.44Å; Y307-M322 PolarHBondContact N-O 2.81Å; Y307-M322 PolarHBondContact O-N 2.86Å; Y307-M322 VanDerWaalsContact O-O 3.14Å; Y307-L324 HydrophobicContact CD2-CB 4.15Å; Y307-L324 HydrophobicContact CE2-CB 3.88Å; Y307-L324 HydrophobicContact CE2-CD2 4.15Å
308V96Very high95.3Very high38 Ų3847.7 Ų47.723%0.2328%0.28CS..EExtended strand (participates in β ladder)trans-113.7117.4174.5-176.70000108.7W272 T273 Q320 E321W272-V308 WeakPolarHBondContact CA-O 3.48Å; T273-V308 PolarHBondContact N-O 2.94Å; T273-V308 PolarHBondContact O-N 3.12Å; V308-Q320 WeakPolarHBondContact CA-O 3.21Å; V308-E321 HydrophobicContact CG2-CB 4.25Å; V308-E321 HydrophobicContact CG2-CG 4.18Å
309C95.5Very high95.4Very high0 Ų043.7 Ų43.70%027%0.269CS..EExtended strand (participates in β ladder)trans-86.7140.5165.376.50000109.9C260 I270 T271 W272 S319 Q320C260-C309 HydrophobicContact CB-CB 3.44Å; C260-C309 VanDerWaalsContact CB-CB 3.44Å; C260-C309 WeakPolarHBondContact CB-SG 3.48Å; C260-C309 WeakPolarHBondContact SG-CB 3.46Å; C260-C309 CovalentContact SG-SG 2.03Å; C260-C309 PolarHBondContact SG-SG 3.25Å; I270-C309 HydrophobicContact CG2-CB 4.5Å; T271-C309 CarbonylContact O-C 3.55Å; T271-C309 WeakPolarHBondContact O-CA 3.43Å; W272-C309 HydrophobicContact CD2-CB 3.68Å; W272-C309 HydrophobicContact CE3-CB 3.74Å; W272-C309 HydrophobicContact CG-CB 4.44Å; W272-C309 HydrophobicContact CH2-CB 3.75Å; W272-C309 HydrophobicContact CZ2-CB 3.65Å; W272-C309 HydrophobicContact CZ3-CB 3.78Å; C309-S319 CarbonylContact O-C 3.59Å; C309-S319 VanDerWaalsContact O-CA 3.25Å; C309-S319 WeakPolarHBondContact O-CA 3.45Å; C309-Q320 PolarHBondContact N-O 3.25Å; C309-Q320 PolarHBondContact O-N 2.89Å
310T95.8Very high95.5Very high28 Ų2847.1 Ų47.117%0.17229%0.285CS..EExtended strand (participates in β ladder)trans-128.9119.1179.6-48.90000109.6I270 T271 T312 F317 S318I270-T310 WeakPolarHBondContact CA-O 3.29Å; T271-T310 PolarHBondContact N-O 3.05Å; T271-T310 PolarHBondContact O-N 3.38Å; T310-T312 HydrophobicContact CG2-CG2 3.85Å; T310-F317 HydrophobicContact CG2-CB 4.46Å; T310-F317 HydrophobicContact CG2-CD2 4.42Å; T310-S318 CarbonylContact C-O 3.55Å; T310-S318 WeakPolarHBondContact CA-O 3.36Å
311A97.1Very high95.5Very high0 Ų050.8 Ų50.80%030%0.298CS..EExtended strand (participates in β ladder)trans-93.5126.1173.200000109.4P239 I241 A262 P268 I270 F317 S318P239-A311 HydrophobicContact CB-CB 3.78Å; P239-A311 WeakPolarHBondContact CB-O 3.46Å; I241-A311 HydrophobicContact CD1-CB 4.31Å; I241-A311 HydrophobicContact CG1-CB 3.87Å; A262-A311 HydrophobicContact CB-CB 3.45Å; A262-A311 VanDerWaalsContact CB-CB 3.45Å; P268-A311 HydrophobicContact CB-CB 4.18Å; I270-A311 HydrophobicContact CD1-CB 3.52Å; A311-F317 CarbonylContact O-C 3.57Å; A311-F317 WeakPolarHBondContact O-CA 3.32Å; A311-F317 WeakPolarHBondContact O-CB 3.47Å; A311-S318 PolarHBondContact N-O 3.48Å; A311-S318 PolarHBondContact O-N 3.33Å
312T96.8Very high95.7Very high49 Ų4947.9 Ų47.930%0.30127%0.273SS..EExtended strand (participates in β ladder)trans-131.8137.5-171.958.20000111.9P268 T269 T310 F317P268-T312 CarbonylContact C-O 3.56Å; P268-T312 WeakPolarHBondContact CA-O 3.32Å; P268-T312 WeakPolarHBondContact CB-O 3.37Å; T269-T312 PolarHBondContact N-O 2.86Å; T269-T312 PolarHBondContact O-N 2.9Å; T269-T312 PolarHBondContact O-OG1 3.48Å; T310-T312 HydrophobicContact CG2-CG2 3.85Å; T312-F317 HydrophobicContact CG2-CB 4.07Å
313N97.3Very high95.9Very high30 Ų3046.5 Ų46.516%0.1626%0.261CS..EExtended strand (participates in β ladder)trans-144.1-17416776.57.2000110.8V237 P239 P266 P268 V315 G316V237-N313 PolarHBondContact O-ND2 2.85Å; P239-N313 WeakPolarHBondContact CD-OD1 3.36Å; P239-N313 HydrophobicContact CG-CB 4.07Å; P266-N313 WeakPolarHBondContact O-CB 3.31Å; P266-N313 PolarHBondContact O-ND2 3.47Å; P268-N313 HydrophobicContact CB-CB 4.48Å; N313-V315 PolarHBondContact O-N 2.87Å; N313-V315 WeakPolarHBondContact OD1-CA 3.25Å; N313-V315 WeakPolarHBondContact OD1-CB 3.5Å; N313-V315 WeakPolarHBondContact OD1-CG2 3.45Å; N313-V315 PolarHBondContact OD1-N 2.84Å; N313-G316 PolarHBondContact N-O 2.85Å; N313-G316 PolarHBondContact O-N 2.92Å; N313-G316 PolarHBondContact OD1-N 3.29Å
314T96.1Very high96Very high107 Ų10746.3 Ų46.366%0.65626%0.26SS*.THydrogen-bonded Turntrans-66.4-4.1-178.7580000114.9Q236 P266Q236-T314 PolarHBondContact NE2-OG1 3.28Å; P266-T314 WeakPolarHBondContact CD-OG1 3.48Å
315V95.5Very high96.1Very high49 Ų4946.1 Ų46.130%0.29726%0.256SS..THydrogen-bonded Turntrans-109.1-30.4-172.2-164.30000111.2L160 Q236 P238 N313L160-V315 HydrophobicContact CD1-CG1 3.52Å; Q236-V315 HydrophobicContact CB-CG2 3.78Å; Q236-V315 HydrophobicContact CG-CG2 4.47Å; P238-V315 HydrophobicContact CB-CG1 4.27Å; N313-V315 PolarHBondContact O-N 2.87Å; N313-V315 WeakPolarHBondContact OD1-CA 3.25Å; N313-V315 WeakPolarHBondContact OD1-CB 3.5Å; N313-V315 WeakPolarHBondContact OD1-CG2 3.45Å; N313-V315 PolarHBondContact OD1-N 2.84Å
316G96.2Very high96.2Very high27 Ų2745.7 Ų45.728%0.27825%0.252SS..EExtended strand (participates in β ladder)trans168.2-159-177.600000112.3P239 N313P239-G316 WeakPolarHBondContact CD-O 3.35Å; P239-G316 WeakPolarHBondContact CG-O 3.35Å; N313-G316 PolarHBondContact N-O 2.85Å; N313-G316 PolarHBondContact O-N 2.92Å; N313-G316 PolarHBondContact OD1-N 3.29Å
317F97.2Very high96.2Very high147 Ų14745.1 Ų45.165%0.64525%0.245SC*.EExtended strand (participates in β ladder)trans-143.4162.8179.369.3-82.6000112T310 A311 T312T310-F317 HydrophobicContact CG2-CB 4.46Å; T310-F317 HydrophobicContact CG2-CD2 4.42Å; A311-F317 CarbonylContact O-C 3.57Å; A311-F317 WeakPolarHBondContact O-CA 3.32Å; A311-F317 WeakPolarHBondContact O-CB 3.47Å; T312-F317 HydrophobicContact CG2-CB 4.07Å
318S97.5Very high96.2Very high35 Ų3545.9 Ų45.925%0.24525%0.25CC..EExtended strand (participates in β ladder)trans-140.4143.8168.5172.30000108P239 I241 T310 A311P239-S318 WeakPolarHBondContact O-CB 3.3Å; I241-S318 WeakPolarHBondContact CD1-O 3.28Å; T310-S318 CarbonylContact C-O 3.55Å; T310-S318 WeakPolarHBondContact CA-O 3.36Å; A311-S318 PolarHBondContact N-O 3.48Å; A311-S318 PolarHBondContact O-N 3.33Å
319S96Very high96Very high64 Ų6449.5 Ų49.545%0.44826%0.262SS..EExtended strand (participates in β ladder)trans-136.2139.7-176.855.20000111.3C309C309-S319 CarbonylContact O-C 3.59Å; C309-S319 VanDerWaalsContact O-CA 3.25Å; C309-S319 WeakPolarHBondContact O-CA 3.45Å
320Q95.5Very high95.9Very high73 Ų7349.7 Ų49.734%0.34126%0.263SS..EExtended strand (participates in β ladder)trans-129.2127.9177.2-179.458.463.900109.6I241 V308 C309 M322I241-Q320 HydrophobicContact CD1-CB 3.86Å; I241-Q320 HydrophobicContact CG2-CB 4.14Å; V308-Q320 WeakPolarHBondContact CA-O 3.21Å; C309-Q320 PolarHBondContact N-O 3.25Å; C309-Q320 PolarHBondContact O-N 2.89Å; Q320-M322 HydrophobicContact CG-CG 4.21Å
321E95.5Very high95.7Very high114 Ų11454.6 Ų54.653%0.53328%0.279SS..EExtended strand (participates in β ladder)trans-83.3138.6169.5-170.1179131.400110.3A306 Y307 V308A306-E321 HydrophobicContact CB-CG 4.22Å; Y307-E321 CarbonylContact O-C 3.28Å; Y307-E321 WeakPolarHBondContact O-CA 3.44Å; V308-E321 HydrophobicContact CG2-CB 4.25Å; V308-E321 HydrophobicContact CG2-CG 4.18Å
322M95.3Very high95.3Very high1 Ų156.3 Ų56.31%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-137.2129.2179.4-55.4177.780.600108.3A245 T246 H248 P259 W272 Y307 Q320A245-M322 WeakPolarHBondContact O-CE 3.32Å; T246-M322 CarbonylContact O-C 3.54Å; T246-M322 WeakPolarHBondContact O-CA 3.34Å; H248-M322 WeakPolarHBondContact NE2-CE 3.19Å; P259-M322 HydrophobicContact CG-CE 4.47Å; P259-M322 WeakPolarHBondContact O-CE 3.44Å; W272-M322 HydrophobicContact CH2-SD 3.56Å; W272-M322 VanDerWaalsContact CH2-SD 3.56Å; W272-M322 HydrophobicContact CZ3-SD 4.07Å; Y307-M322 PolarHBondContact N-O 2.81Å; Y307-M322 PolarHBondContact O-N 2.86Å; Y307-M322 VanDerWaalsContact O-O 3.14Å; Q320-M322 HydrophobicContact CG-CG 4.21Å
323R96.4Very high94.6Very high136 Ų13658.3 Ų58.351%0.51329%0.293SS..EExtended strand (participates in β ladder)trans-99.5129.8-177.8-177.6175.3179.276.62.3110.7T246 H247 H248 G305T246-R323 PolarHBondContact O-N 3.39Å; H247-R323 WeakPolarHBondContact CA-O 3.44Å; H247-R323 PolarHBondContact CD2-O 2.6Å; H248-R323 PolarHBondContact N-O 3.46Å; G305-R323 WeakPolarHBondContact O-CA 3.29Å
324L96.6Very high93.4Very high1 Ų159 Ų591%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-103.6127.5171-179.659.3000110.4H248 T250 A256 I296 A304 G305 Y307 V326H248-L324 HydrophobicContact CB-CD1 4.1Å; T250-L324 HydrophobicContact CG2-CD1 4.25Å; A256-L324 HydrophobicContact CB-CD1 4.21Å; A256-L324 HydrophobicContact CB-CD2 4.31Å; I296-L324 HydrophobicContact CD1-CD2 3.44Å; I296-L324 VanDerWaalsContact CD1-CD2 3.44Å; A304-L324 WeakPolarHBondContact CA-O 3.22Å; G305-L324 PolarHBondContact N-O 3.35Å; G305-L324 PolarHBondContact O-N 2.94Å; Y307-L324 HydrophobicContact CD2-CB 4.15Å; Y307-L324 HydrophobicContact CE2-CB 3.88Å; Y307-L324 HydrophobicContact CE2-CD2 4.15Å; L324-V326 HydrophobicContact CD2-CG2 4.15Å; L324-V326 HydrophobicContact CG-CG2 4.1Å
325S95.9Very high91.7Very high30 Ų3062 Ų6221%0.2131%0.308CS..EExtended strand (participates in β ladder)trans-103.1122.8164.1-73.10000109.4H247 H248 I249 T250H247-S325 PolarHBondContact NE2-OG 3.21Å; H248-S325 PolarHBondContact O-N 2.97Å; I249-S325 WeakPolarHBondContact CA-O 3.03Å; T250-S325 PolarHBondContact N-O 3.28Å
326V96.9Very high89.9Confident1 Ų163.3 Ų63.31%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-102.2120.6168.6-174.60000108.3T250 E252 P299 S300 D303 A304 L324 S363T250-V326 HydrophobicContact CG2-CB 4.4Å; T250-V326 HydrophobicContact CG2-CG1 4.23Å; T250-V326 HydrophobicContact CG2-CG2 3.97Å; E252-V326 HydrophobicContact CB-CG1 4.43Å; P299-V326 HydrophobicContact CB-CG1 4.33Å; P299-V326 HydrophobicContact CB-CG2 3.96Å; S300-V326 WeakPolarHBondContact O-CG2 3.3Å; D303-V326 HydrophobicContact CB-CG2 4.31Å; A304-V326 HydrophobicContact CB-CB 4.38Å; A304-V326 HydrophobicContact CB-CG2 4.32Å; L324-V326 HydrophobicContact CD2-CG2 4.15Å; L324-V326 HydrophobicContact CG-CG2 4.1Å; V326-S363 WeakPolarHBondContact O-CB 3.5Å; V326-S363 PolarHBondContact O-OG 3.23Å
327N96.1Very high88Confident17 Ų1763.8 Ų63.89%0.09133%0.33CS..EExtended strand (participates in β ladder)trans-83.4123175.1-53-33.4000108.7I249 T250 N251 E252 S363 A413I249-N327 VanDerWaalsContact CG2-ND2 3.29Å; I249-N327 WeakPolarHBondContact CG2-ND2 3.45Å; T250-N327 PolarHBondContact O-N 3.17Å; T250-N327 PolarHBondContact O-ND2 3.13Å; N251-N327 CarbonylContact C-O 3.54Å; N251-N327 WeakPolarHBondContact OD1-CB 3.42Å; N251-N327 PolarHBondContact OD1-ND2 3.02Å; E252-N327 PolarHBondContact N-O 2.9Å; N327-S363 CarbonylContact C-O 3.59Å; N327-S363 VanDerWaalsContact C-O 3.3Å; N327-S363 WeakPolarHBondContact CA-O 3.43Å; N327-S363 WeakPolarHBondContact CB-O 3.47Å; N327-A413 HydrophobicContact CB-CB 3.79Å
328T95Very high86Confident17 Ų1768.7 Ų68.710%0.10435%0.345CS..EExtended strand (participates in β ladder)trans-111.3134.817958.80000109.5E252 A301 S363 N411E252-T328 HydrophobicContact CB-CG2 4.22Å; E252-T328 HydrophobicContact CG-CG2 4.33Å; A301-T328 HydrophobicContact CB-CG2 3.95Å; T328-S363 PolarHBondContact N-O 2.94Å; T328-S363 PolarHBondContact O-N 3.4Å; T328-S363 VanDerWaalsContact O-N 3.16Å; T328-S363 WeakPolarHBondContact OG1-CB 3.38Å; T328-S363 PolarHBondContact OG1-N 2.98Å; T328-N411 PolarHBondContact O-ND2 3.46Å
329K91.9Very high84.3Confident114 Ų11471.7 Ų71.750%0.49636%0.358SS..EExtended strand (participates in β ladder)trans-62.4152-177.768.6178-178.5177.80111.1R331 A413K329-R331 PolarHBondContact O-N 2.79Å; K329-A413 HydrophobicContact CB-CB 4.44Å
330P93.8Very high82.6Confident3 Ų371.4 Ų71.42%0.01936%0.359CS..EExtended strand (participates in β ladder)trans-61.1138.7-179-22.436000111.6K361 P366 A409 N411 G414 A416P330-K361 CarbonylContact C-O 3.59Å; P330-P366 HydrophobicContact CB-CB 3.96Å; P330-P366 HydrophobicContact CB-CG 4.29Å; P330-P366 HydrophobicContact CG-CB 3.86Å; P330-A409 HydrophobicContact CB-CB 3.96Å; P330-A409 WeakPolarHBondContact CG-O 3.47Å; P330-N411 HydrophobicContact CG-CB 4.35Å; P330-G414 VanDerWaalsContact CD-O 3.23Å; P330-G414 WeakPolarHBondContact CD-O 3.29Å; P330-G414 WeakPolarHBondContact CG-O 3.48Å; P330-A416 HydrophobicContact CB-CB 4.35Å; P330-A416 VanDerWaalsContact O-CB 3.29Å; P330-A416 WeakPolarHBondContact O-CB 3.37Å
331R90.3Very high81.2Confident132 Ų13273.8 Ų73.850%0.49838%0.375SS..EExtended strand (participates in β ladder)trans-126.6111.6174.1-56.8-171.1-169.6-154.26.2108.5E252 K329 H333 A360 K361E252-R331 IonicContact OE1-NH2 3.42Å; E252-R331 PolarHBondContact OE1-NH2 3.11Å; E252-R331 IonicContact OE2-NH2 2.7Å; E252-R331 PolarHBondContact OE2-NH2 3.33Å; K329-R331 PolarHBondContact O-N 2.79Å; R331-H333 PolarHBondContact O-CE1 2.96Å; R331-H333 VanDerWaalsContact O-CE1 3.3Å; R331-H333 PolarHBondContact O-ND1 3.46Å; R331-A360 WeakPolarHBondContact O-CA 3.33Å; R331-K361 PolarHBondContact N-O 2.91Å; R331-K361 PolarHBondContact O-N 3.49Å
332I88.7Confident80.4Confident36 Ų3672.6 Ų72.619%0.18538%0.375CS..EExtended strand (participates in β ladder)trans-79.3127.9178.6-55.2166.9000108.4M334 A360 A409 A416 H418I332-M334 HydrophobicContact CG2-CE 3.39Å; I332-M334 HydrophobicContact CG2-CG 4.26Å; I332-A360 HydrophobicContact CG1-CB 4.16Å; I332-A409 HydrophobicContact CG1-CB 4.34Å; I332-A416 HydrophobicContact CD1-CB 4.2Å; I332-A416 HydrophobicContact CG1-CB 4.28Å; I332-H418 HydrophobicContact CD1-CB 4.07Å
333H82.4Confident79.7Confident91 Ų9174.5 Ų74.542%0.42139%0.387SS..EExtended strand (participates in β ladder)trans-98.9133.2178.2-63.765.3000109R331 E359R331-H333 PolarHBondContact O-CE1 2.96Å; R331-H333 VanDerWaalsContact O-CE1 3.3Å; R331-H333 PolarHBondContact O-ND1 3.46Å; H333-E359 PolarHBondContact N-O 3.18Å; H333-E359 PolarHBondContact ND1-O 2.89Å
334M72.9Confident79.3Confident44 Ų4471.1 Ų71.122%0.21738%0.379CS..  trans-136.3125.9-171.2-74.4-72.4169.700111.2I332 G336 D357 H418 Y420I332-M334 HydrophobicContact CG2-CE 3.39Å; I332-M334 HydrophobicContact CG2-CG 4.26Å; M334-G336 PolarHBondContact O-N 2.87Å; M334-G336 VanDerWaalsContact O-N 3.11Å; M334-D357 WeakPolarHBondContact CE-O 3.49Å; M334-D357 HydrophobicContact SD-CB 4.25Å; M334-H418 HydrophobicContact CE-CB 4.06Å; M334-H418 VanDerWaalsContact CE-CD2 3.41Å; M334-H418 WeakPolarHBondContact CE-CD2 3.48Å; M334-Y420 HydrophobicContact CE-CE2 4.24Å; M334-Y420 VanDerWaalsContact CE-OH 3.31Å; M334-Y420 WeakPolarHBondContact CE-OH 3.36Å; M334-Y420 PolarHBondContact SD-OH 2.9Å
335N60.5Low78.8Confident170 Ų17077 Ų7791%0.90941%0.407SS*.SBendtrans-81.284.5170.9-74.8-31.9000110.2
336G57.1Low78.5Confident77 Ų7777 Ų7779%0.79441%0.405SS*.SBendtrans139.2-21.7165.400000116.9M334M334-G336 PolarHBondContact O-N 2.87Å; M334-G336 VanDerWaalsContact O-N 3.11Å
337S56.5Low78.1Confident36 Ų3682.3 Ų82.325%0.25244%0.437SS..  trans-105.2142.1173.3-171.90000112N339S337-N339 PolarHBondContact OG-N 3.05Å; S337-N339 PolarHBondContact OG-O 3.12Å
338R56Low77.7Confident250 Ų25081.8 Ų81.894%0.94344%0.436SS*.SBendtrans-102.6-12.4170.9-62.9-170.6-176.5-146.80.4113.5
339N61.4Low77.4Confident98 Ų9886.3 Ų86.352%0.52445%0.454SS..  trans-121.2127.5-178.5-69.310000109.8S337 V342S337-N339 PolarHBondContact OG-N 3.05Å; S337-N339 PolarHBondContact OG-O 3.12Å; N339-V342 HydrophobicContact CB-CG2 4.37Å
340A60Low77.2Confident58 Ų5883.2 Ų83.248%0.47945%0.449SS..SBendtrans-74.4-27.8179.400000113V342 H418A340-V342 PolarHBondContact O-N 3.41Å; A340-H418 PolarHBondContact O-ND1 2.86Å
341D66.8Low76.8Confident124 Ų12485.6 Ų85.666%0.66348%0.475SS*.SBendtrans-71.4-28.3-173-53.9-66.1000113.9P343 R419D341-P343 WeakPolarHBondContact O-CD 3.36Å; D341-R419 PolarHBondContact O-NH2 3.43Å
342V77.1Confident76.7Confident88 Ų8883 Ų8353%0.53347%0.468SS..SBendtrans-83.9119.1-178.2-177.90000109.3N339 A340 L344N339-V342 HydrophobicContact CB-CG2 4.37Å; A340-V342 PolarHBondContact O-N 3.41Å; V342-L344 PolarHBondContact O-N 2.83Å
343P82.5Confident76.7Confident41 Ų4186.2 Ų86.227%0.26648%0.482SS..PPolyproline II helixtrans-66.3124.7179.3-21.634.2000112D341 Q345 R419 V421D341-P343 WeakPolarHBondContact O-CD 3.36Å; P343-Q345 PolarHBondContact O-N 2.79Å; P343-Q345 PolarHBondContact O-NE2 2.97Å; P343-Q345 VanDerWaalsContact O-NE2 3.12Å; P343-R419 CarbonylContact C-O 3.56Å; P343-R419 VanDerWaalsContact CA-O 3.23Å; P343-R419 WeakPolarHBondContact CA-O 3.47Å; P343-R419 HydrophobicContact CB-CB 4.04Å; P343-R419 HydrophobicContact CG-CB 4.19Å; P343-V421 HydrophobicContact CB-CG2 3.94Å
344L86.1Confident77.1Confident65 Ų6582.3 Ų82.334%0.3447%0.465SS..EExtended strand (participates in β ladder)trans-69.9124-179.9-165.769.8000110.3V342 R419 Y420 V421V342-L344 PolarHBondContact O-N 2.83Å; L344-R419 PolarHBondContact N-O 2.82Å; L344-Y420 HydrophobicContact CB-CD1 3.97Å; L344-Y420 HydrophobicContact CB-CE1 4.05Å; L344-Y420 HydrophobicContact CD2-CD1 4.4Å; L344-Y420 HydrophobicContact CD2-CE1 3.77Å; L344-Y420 HydrophobicContact CG-CE1 4.42Å; L344-Y420 WeakPolarHBondContact O-CA 3.16Å; L344-V421 PolarHBondContact O-N 2.98Å
345Q86.9Confident78Confident126 Ų12683.1 Ų83.159%0.58947%0.473SS*.EExtended strand (participates in β ladder)trans-78.9123.4176.7-56-58.3-62.700109.3P343P343-Q345 PolarHBondContact O-N 2.79Å; P343-Q345 PolarHBondContact O-NE2 2.97Å; P343-Q345 VanDerWaalsContact O-NE2 3.12Å
346V89.2Confident79.4Confident30 Ų3075 Ų7518%0.18243%0.429CS..EExtended strand (participates in β ladder)trans-124.3122.8176.4177.90000108.4V354 L356 Y420 V421 L422 G423V346-V354 HydrophobicContact CG1-CG1 3.9Å; V346-L356 HydrophobicContact CB-CD2 4.2Å; V346-L356 HydrophobicContact CG1-CD2 4.1Å; V346-L356 HydrophobicContact CG2-CD2 4Å; V346-Y420 HydrophobicContact CG2-CD1 3.75Å; V346-Y420 HydrophobicContact CG2-CE1 4.08Å; V346-V421 PolarHBondContact N-O 2.9Å; V346-L422 HydrophobicContact CB-CD1 4.26Å; V346-L422 HydrophobicContact CG1-CD1 3.94Å; V346-L422 WeakPolarHBondContact O-CA 3.4Å; V346-G423 PolarHBondContact O-N 2.94Å
347T89Confident80.9Confident111 Ų11174.5 Ų74.568%0.68141%0.408SS*.EExtended strand (participates in β ladder)trans-116.6129.1-18055.10000110.8G423T347-G423 WeakPolarHBondContact CA-O 3.3Å
348A88.4Confident82.5Confident6 Ų672.8 Ų72.85%0.0540%0.396CS..EExtended strand (participates in β ladder)trans-137.4160.9178.600000110.9V354 G423 V424 Q425A348-V354 HydrophobicContact CB-CG2 3.34Å; A348-G423 PolarHBondContact N-O 3.19Å; A348-G423 VanDerWaalsContact N-O 3.15Å; A348-V424 CarbonylContact O-C 3.47Å; A348-V424 WeakPolarHBondContact O-CA 3.45Å; A348-Q425 PolarHBondContact O-N 2.72Å
349K88.3Confident84.2Confident113 Ų11364.8 Ų64.849%0.49137%0.37SS..EExtended strand (participates in β ladder)trans-93.2151.5173-49.4-175.4-155.4810110.5G351 E352K349-G351 PolarHBondContact O-N 3.4Å; K349-E352 HydrophobicContact CB-CG 4.09Å; K349-E352 WeakPolarHBondContact CD-OE1 3.15Å; K349-E352 WeakPolarHBondContact CG-OE1 3.28Å; K349-E352 PolarHBondContact N-OE2 3.09Å; K349-E352 IonicContact NZ-OE1 3.85Å; K349-E352 PolarHBondContact NZ-OE1 3.01Å; K349-E352 IonicContact NZ-OE2 2.77Å; K349-E352 WeakPolarHBondContact O-CB 3.5Å; K349-E352 PolarHBondContact O-N 2.98Å
350A88.1Confident85.6Confident48 Ų4861 Ų6140%0.39735%0.351SS..THydrogen-bonded Turntrans-57.8124.417600000111.1V397 V424 Q425A350-V397 CarbonylContact C-O 3.58Å; A350-V397 VanDerWaalsContact CA-O 3.3Å; A350-V397 WeakPolarHBondContact CA-O 3.49Å; A350-V424 HydrophobicContact CB-CG1 4.41Å; A350-Q425 PolarHBondContact N-O 2.81Å
351G84.4Confident87.1Confident54 Ų5463.4 Ų63.456%0.55735%0.351SS*.THydrogen-bonded Turntrans95.4-10.9-175.700000115.7K349 V397K349-G351 PolarHBondContact O-N 3.4Å; G351-V397 PolarHBondContact N-O 3.21Å
352E88.6Confident88.2Confident76 Ų7658.6 Ų58.636%0.35533%0.331SS..  trans-72.2170.9170.9-67.7175.1170.300111.2K349 Q396 V397K349-E352 HydrophobicContact CB-CG 4.09Å; K349-E352 WeakPolarHBondContact CD-OE1 3.15Å; K349-E352 WeakPolarHBondContact CG-OE1 3.28Å; K349-E352 PolarHBondContact N-OE2 3.09Å; K349-E352 IonicContact NZ-OE1 3.85Å; K349-E352 PolarHBondContact NZ-OE1 3.01Å; K349-E352 IonicContact NZ-OE2 2.77Å; K349-E352 WeakPolarHBondContact O-CB 3.5Å; K349-E352 PolarHBondContact O-N 2.98Å; E352-Q396 PolarHBondContact O-N 3.03Å; E352-V397 WeakPolarHBondContact O-CG2 3.23Å; E352-V397 PolarHBondContact O-N 3.48Å
353E89.8Confident89Confident104 Ų10456.4 Ų56.449%0.48632%0.32SS..  trans-107.4137.3173.1179169.7129.900109.8R393 L394E353-R393 VanDerWaalsContact CD-NH2 3.35Å; E353-R393 HydrophobicContact CG-CG 4.35Å; E353-R393 IonicContact OE1-CZ 3.71Å; E353-R393 IonicContact OE1-NE 2.83Å; E353-R393 PolarHBondContact OE1-NE 2.97Å; E353-R393 IonicContact OE1-NH2 2.66Å; E353-R393 PolarHBondContact OE1-NH2 3.28Å; E353-R393 IonicContact OE2-CZ 3.19Å; E353-R393 IonicContact OE2-NE 3.73Å; E353-R393 PolarHBondContact OE2-NE 2.9Å; E353-R393 IonicContact OE2-NH2 3.94Å; E353-R393 PolarHBondContact OE2-NH2 2.03Å; E353-L394 WeakPolarHBondContact CA-O 3.29Å
354V90.6Very high89.6Confident10 Ų1057 Ų576%0.06132%0.323CS..EExtended strand (participates in β ladder)trans-125.1134.9-180173.30000109.4V346 A348 L356 R393 L394 V397 L422V346-V354 HydrophobicContact CG1-CG1 3.9Å; A348-V354 HydrophobicContact CB-CG2 3.34Å; V354-L356 HydrophobicContact CG1-CD2 3.63Å; V354-L356 HydrophobicContact CG1-CG 4.15Å; V354-R393 CarbonylContact O-C 3.52Å; V354-R393 WeakPolarHBondContact O-CA 3.14Å; V354-L394 PolarHBondContact N-O 3.11Å; V354-L394 PolarHBondContact O-N 2.83Å; V354-V397 HydrophobicContact CB-CG2 4.01Å; V354-V397 HydrophobicContact CG2-CG2 3.82Å; V354-L422 HydrophobicContact CG1-CD1 4.25Å; V354-L422 HydrophobicContact CG2-CD1 4.37Å
355T91Very high89.9Confident61 Ų6159.3 Ų59.337%0.37434%0.343SS..EExtended strand (participates in β ladder)trans-111.9126.8163.9-61.70000108.8L387 L392T355-L387 HydrophobicContact CG2-CD1 3.9Å; T355-L392 CarbonylContact C-O 3.54Å; T355-L392 WeakPolarHBondContact CA-O 3.36Å
356L90.4Very high90.2Very high0 Ų054.4 Ų54.40%032%0.322CS..EExtended strand (participates in β ladder)trans-100.8117.6170.2-52.8-179.3000107V346 V354 W370 S391 L392 L394 Y405 Y420V346-L356 HydrophobicContact CB-CD2 4.2Å; V346-L356 HydrophobicContact CG1-CD2 4.1Å; V346-L356 HydrophobicContact CG2-CD2 4Å; V354-L356 HydrophobicContact CG1-CD2 3.63Å; V354-L356 HydrophobicContact CG1-CG 4.15Å; L356-W370 HydrophobicContact CB-CH2 3.4Å; L356-W370 HydrophobicContact CB-CZ2 4.25Å; L356-W370 HydrophobicContact CB-CZ3 3.82Å; L356-W370 HydrophobicContact CD1-CH2 4.47Å; L356-W370 HydrophobicContact CD1-CZ3 4.03Å; L356-W370 WeakPolarHBondContact O-CH2 3.42Å; L356-W370 VanDerWaalsContact O-CZ2 3.24Å; L356-W370 WeakPolarHBondContact O-CZ2 3.44Å; L356-S391 CarbonylContact O-C 3.55Å; L356-S391 VanDerWaalsContact O-CA 3.29Å; L356-S391 WeakPolarHBondContact O-CA 3.36Å; L356-S391 WeakPolarHBondContact O-CB 3.5Å; L356-L392 PolarHBondContact N-O 3.07Å; L356-L392 PolarHBondContact O-N 2.87Å; L356-L394 HydrophobicContact CD1-CD1 4.08Å; L356-L394 HydrophobicContact CG-CD1 4.08Å; L356-Y405 HydrophobicContact CD1-CD1 4.03Å; L356-Y405 HydrophobicContact CD1-CD2 4.06Å; L356-Y405 HydrophobicContact CD1-CG 3.66Å; L356-Y420 HydrophobicContact CB-CD1 4.37Å; L356-Y420 HydrophobicContact CB-CD2 4.33Å; L356-Y420 HydrophobicContact CB-CE1 4.24Å; L356-Y420 HydrophobicContact CB-CE2 4.23Å; L356-Y420 HydrophobicContact CB-CG 4.41Å; L356-Y420 HydrophobicContact CD1-CG 4.38Å; L356-Y420 HydrophobicContact CD2-CD1 3.78Å; L356-Y420 HydrophobicContact CD2-CE1 4.12Å; L356-Y420 HydrophobicContact CD2-CG 4.24Å
357D89Confident90.3Very high65 Ų6558.7 Ų58.735%0.34834%0.343SS..  trans-76.2151.5-173.1-80.7-43000114M334 S391 Y420M334-D357 WeakPolarHBondContact CE-O 3.49Å; M334-D357 HydrophobicContact SD-CB 4.25Å; D357-S391 WeakPolarHBondContact CA-OG 3.49Å; D357-S391 WeakPolarHBondContact OD1-CB 3.29Å; D357-S391 PolarHBondContact OD1-OG 2.72Å; D357-Y420 PolarHBondContact N-OH 2.83Å; D357-Y420 VanDerWaalsContact N-OH 3.09Å; D357-Y420 WeakPolarHBondContact O-CE2 3.19Å; D357-Y420 PolarHBondContact O-OH 3.1Å
358C89.6Confident90.5Very high0 Ų054.3 Ų54.30%032%0.316CS..  trans-158.250.6168.8-160.40000112.1A360 V368 W370 S391 C407C358-A360 PolarHBondContact O-N 3.3Å; C358-V368 HydrophobicContact CB-CG1 4.02Å; C358-W370 HydrophobicContact CB-CH2 4.38Å; C358-W370 HydrophobicContact CB-CZ2 3.61Å; C358-S391 PolarHBondContact N-OG 2.86Å; C358-C407 HydrophobicContact CB-CB 3.57Å; C358-C407 WeakPolarHBondContact CB-SG 3.24Å; C358-C407 WeakPolarHBondContact SG-CB 3.44Å; C358-C407 CovalentContact SG-SG 2.04Å; C358-C407 PolarHBondContact SG-SG 3.45Å
359E90.8Very high90.7Very high83 Ų8357.1 Ų57.139%0.38833%0.333SS..EExtended strand (participates in β ladder)trans-70.491.9180-160.8-159.1131.800111.3H333 K361 S389H333-E359 PolarHBondContact N-O 3.18Å; H333-E359 PolarHBondContact ND1-O 2.89Å; E359-K361 VanDerWaalsContact OE1-CE 3.31Å; E359-K361 WeakPolarHBondContact OE1-CE 3.24Å; E359-K361 IonicContact OE1-NZ 2.73Å; E359-K361 PolarHBondContact OE1-NZ 2.99Å; E359-S389 WeakPolarHBondContact CA-O 3.45Å
360A91Very high90.9Very high17 Ų1752.6 Ų52.614%0.1431%0.312CS..EExtended strand (participates in β ladder)trans-95.9124.1-176.700000112.1R331 I332 C358 P366 V368 A409R331-A360 WeakPolarHBondContact O-CA 3.33Å; I332-A360 HydrophobicContact CG1-CB 4.16Å; C358-A360 PolarHBondContact O-N 3.3Å; A360-P366 HydrophobicContact CB-CG 3.65Å; A360-P366 WeakPolarHBondContact O-CG 3.3Å; A360-V368 HydrophobicContact CB-CG2 4.06Å; A360-A409 HydrophobicContact CB-CB 3.35Å
361K90.9Very high91.1Very high109 Ų10952 Ų5247%0.47430%0.304SS..EExtended strand (participates in β ladder)trans-108.6138.9172.3-61-173.7171.4910110.4P330 R331 E359P330-K361 CarbonylContact C-O 3.59Å; R331-K361 PolarHBondContact N-O 2.91Å; R331-K361 PolarHBondContact O-N 3.49Å; E359-K361 VanDerWaalsContact OE1-CE 3.31Å; E359-K361 WeakPolarHBondContact OE1-CE 3.24Å; E359-K361 IonicContact OE1-NZ 2.73Å; E359-K361 PolarHBondContact OE1-NZ 2.99Å
362G91.3Very high91.4Very high23 Ų2351.4 Ų51.424%0.23729%0.286CS..EExtended strand (participates in β ladder)trans-174.2169.8-179.500000111.3P364G362-P364 CarbonylContact C-O 3.59Å; G362-P364 CarbonylContact O-C 3.53Å
363S93.4Very high91.5Very high43 Ų4351 Ų5130%0.30129%0.286SS..EExtended strand (participates in β ladder)trans-125.1122.1177.2175.10000109.2V326 N327 T328 N411V326-S363 WeakPolarHBondContact O-CB 3.5Å; V326-S363 PolarHBondContact O-OG 3.23Å; N327-S363 CarbonylContact C-O 3.59Å; N327-S363 VanDerWaalsContact C-O 3.3Å; N327-S363 WeakPolarHBondContact CA-O 3.43Å; N327-S363 WeakPolarHBondContact CB-O 3.47Å; T328-S363 PolarHBondContact N-O 2.94Å; T328-S363 PolarHBondContact O-N 3.4Å; T328-S363 VanDerWaalsContact O-N 3.16Å; T328-S363 WeakPolarHBondContact OG1-CB 3.38Å; T328-S363 PolarHBondContact OG1-N 2.98Å; S363-N411 PolarHBondContact O-ND2 3.08Å
364P94.8Very high91.5Very high52 Ų5251.7 Ų51.734%0.33830%0.302SS..SBendcis-52.9164.5-18-23.133.9000113.2G362 N411 P412G362-P364 CarbonylContact C-O 3.59Å; G362-P364 CarbonylContact O-C 3.53Å; P364-N411 PolarHBondContact O-ND2 2.7Å; P364-P412 HydrophobicContact CG-CG 4.47Å
365P92.7Very high91.4Very high115 Ų11560.5 Ų60.575%0.74734%0.335SS*.PPolyproline II helixtrans-52.3131.1175.1-26.835.6000111.6
366P93.2Very high91.3Very high23 Ų2362.8 Ų62.815%0.14935%0.351CS..PPolyproline II helixtrans-78.6145.1-172.730.9-35000113P330 A360 A409 S410 N411P330-P366 HydrophobicContact CB-CB 3.96Å; P330-P366 HydrophobicContact CB-CG 4.29Å; P330-P366 HydrophobicContact CG-CB 3.86Å; A360-P366 HydrophobicContact CB-CG 3.65Å; A360-P366 WeakPolarHBondContact O-CG 3.3Å; P366-A409 HydrophobicContact CB-CB 4.18Å; P366-S410 CarbonylContact C-O 3.51Å; P366-S410 VanDerWaalsContact CA-O 3.24Å; P366-S410 WeakPolarHBondContact CA-O 3.32Å; P366-N411 HydrophobicContact CB-CB 4.45Å
367L92.4Very high91Very high119 Ų11964 Ų6462%0.62336%0.358SS*.EExtended strand (participates in β ladder)trans-78.3121.8166179.262000108.7T369 A409 S410L367-T369 HydrophobicContact CD2-CG2 4.48Å; L367-T369 HydrophobicContact CG-CG2 4.27Å; L367-A409 CarbonylContact O-C 3.52Å; L367-A409 WeakPolarHBondContact O-CA 3.31Å; L367-S410 PolarHBondContact N-O 3.2Å; L367-S410 PolarHBondContact O-N 3.02Å
368V91.9Very high90Very high20 Ų2064.8 Ų64.812%0.12137%0.367CS..EExtended strand (participates in β ladder)trans-94.7132.5174.6-176.50000109.9C358 A360 G390 A409C358-V368 HydrophobicContact CB-CG1 4.02Å; A360-V368 HydrophobicContact CB-CG2 4.06Å; V368-G390 WeakPolarHBondContact CG1-O 3.3Å; V368-A409 HydrophobicContact CG2-CB 4.08Å
369T91.9Very high88.8Confident65 Ų6570.4 Ų70.440%0.39940%0.403SS..EExtended strand (participates in β ladder)trans-130.1153.317956.60000109.9L367 C407 T408L367-T369 HydrophobicContact CD2-CG2 4.48Å; L367-T369 HydrophobicContact CG-CG2 4.27Å; T369-C407 CarbonylContact O-C 3.58Å; T369-C407 VanDerWaalsContact O-CA 3.31Å; T369-C407 WeakPolarHBondContact O-CA 3.29Å; T369-T408 PolarHBondContact N-O 2.87Å; T369-T408 PolarHBondContact O-N 3.39Å; T369-T408 PolarHBondContact OG1-O 2.86Å
370W92.9Very high87.6Confident18 Ų1872.8 Ų72.87%0.06842%0.417CS..EExtended strand (participates in β ladder)trans-128.8139.1-179-75.586.4000111.9L356 C358 V377 G390 L392 E406 C407 Y420L356-W370 HydrophobicContact CB-CH2 3.4Å; L356-W370 HydrophobicContact CB-CZ2 4.25Å; L356-W370 HydrophobicContact CB-CZ3 3.82Å; L356-W370 HydrophobicContact CD1-CH2 4.47Å; L356-W370 HydrophobicContact CD1-CZ3 4.03Å; L356-W370 WeakPolarHBondContact O-CH2 3.42Å; L356-W370 VanDerWaalsContact O-CZ2 3.24Å; L356-W370 WeakPolarHBondContact O-CZ2 3.44Å; C358-W370 HydrophobicContact CB-CH2 4.38Å; C358-W370 HydrophobicContact CB-CZ2 3.61Å; W370-V377 HydrophobicContact CB-CB 4.29Å; W370-V377 HydrophobicContact CB-CG2 3.85Å; W370-V377 PolarHBondContact O-N 3.32Å; W370-G390 PolarHBondContact NE1-O 2.84Å; W370-L392 HydrophobicContact CB-CD2 4.29Å; W370-L392 HydrophobicContact CD2-CB 3.67Å; W370-L392 HydrophobicContact CD2-CD2 3.93Å; W370-L392 HydrophobicContact CD2-CG 4.38Å; W370-L392 VanDerWaalsContact CE2-CB 3.42Å; W370-L392 HydrophobicContact CE3-CB 4.14Å; W370-L392 HydrophobicContact CE3-CD2 3.94Å; W370-L392 HydrophobicContact CG-CB 4.09Å; W370-L392 HydrophobicContact CG-CD2 4.11Å; W370-L392 HydrophobicContact CH2-CB 4.16Å; W370-L392 HydrophobicContact CZ2-CB 3.68Å; W370-L392 HydrophobicContact CZ3-CB 4.37Å; W370-E406 WeakPolarHBondContact CA-O 3.47Å; W370-C407 HydrophobicContact CD2-CB 3.6Å; W370-C407 VanDerWaalsContact CE2-CB 3.43Å; W370-C407 HydrophobicContact CE3-CB 3.74Å; W370-C407 HydrophobicContact CG-CB 4.35Å; W370-C407 HydrophobicContact CH2-CB 3.63Å; W370-C407 HydrophobicContact CZ2-CB 3.48Å; W370-C407 VanDerWaalsContact CZ2-CB 3.48Å; W370-C407 HydrophobicContact CZ3-CB 3.76Å; W370-Y420 HydrophobicContact CH2-CD2 4.03Å; W370-Y420 AromaticContact CH2-CE2 3.8Å; W370-Y420 HydrophobicContact CH2-CE2 3.8Å; W370-Y420 AromaticContact CZ3-CD2 3.95Å; W370-Y420 HydrophobicContact CZ3-CD2 3.95Å; W370-Y420 HydrophobicContact CZ3-CE2 4.21Å
371T92.4Very high86.7Confident36 Ų3675.1 Ų75.122%0.22143%0.43CS..EExtended strand (participates in β ladder)trans-119.7152.9166.572.30000110.8R375 Y405 E406T371-R375 CarbonylContact C-O 3.51Å; T371-R375 WeakPolarHBondContact CA-O 3.45Å; T371-R375 VanDerWaalsContact CB-O 3.23Å; T371-R375 WeakPolarHBondContact CB-O 3.46Å; T371-Y405 WeakPolarHBondContact O-CA 3.19Å; T371-E406 PolarHBondContact N-O 2.9Å; T371-E406 PolarHBondContact O-N 2.99Å
372K91.6Very high85.7Confident40 Ų4078 Ų7817%0.17445%0.45CS..EExtended strand (participates in β ladder)trans-120.4127.4164.5-171.4-165.6-171.2-92.40108.2S374 R375 V377 G400 D401 S402 H404 Y405K372-S374 PolarHBondContact O-N 3.38Å; K372-R375 PolarHBondContact N-O 2.99Å; K372-R375 PolarHBondContact O-N 2.78Å; K372-V377 HydrophobicContact CB-CG2 4.28Å; K372-G400 PolarHBondContact NZ-O 3.42Å; K372-D401 WeakPolarHBondContact CE-O 3.3Å; K372-S402 WeakPolarHBondContact CE-O 3.35Å; K372-S402 PolarHBondContact NZ-O 3.01Å; K372-H404 CarbonylContact C-O 3.2Å; K372-H404 WeakPolarHBondContact CA-O 3.44Å; K372-Y405 HydrophobicContact CB-CD1 4.02Å; K372-Y405 HydrophobicContact CB-CE1 3.79Å; K372-Y405 HydrophobicContact CD-CE1 4Å; K372-Y405 HydrophobicContact CD-CE2 4.01Å; K372-Y405 VanDerWaalsContact CD-OH 3.29Å; K372-Y405 WeakPolarHBondContact CD-OH 3.15Å; K372-Y405 WeakPolarHBondContact CE-OH 3.36Å; K372-Y405 HydrophobicContact CG-CD1 4.15Å; K372-Y405 HydrophobicContact CG-CD2 4.22Å; K372-Y405 HydrophobicContact CG-CE1 3.76Å; K372-Y405 HydrophobicContact CG-CE2 3.81Å; K372-Y405 HydrophobicContact CG-CG 4.37Å
373D89.8Confident85Confident68 Ų6880 Ų8036%0.36445%0.451SS..THydrogen-bonded Turntrans48.946.7178.8-55.3-53.1000111.7R375 H404D373-R375 VanDerWaalsContact C-N 3.25Å; D373-R375 PolarHBondContact O-N 2.9Å; D373-H404 PolarHBondContact N-O 3.29Å; D373-H404 IonicContact OD1-CG 3.97Å; D373-H404 PolarHBondContact OD1-N 3.18Å; D373-H404 IonicContact OD1-ND1 3.42Å; D373-H404 PolarHBondContact OD1-ND1 3.23Å
374S89.1Confident84.5Confident118 Ų11879.2 Ų79.283%0.82544%0.441SS*.THydrogen-bonded Turntrans62.912.4-175.4-50.90000116.8K372K372-S374 PolarHBondContact O-N 3.38Å
375R89.6Confident84Confident195 Ų19577.6 Ų77.674%0.73643%0.434SS*.EExtended strand (participates in β ladder)trans-111.1141.1174.9-60.1-176179.9-141.3-2.8110.8T371 K372 D373 V377T371-R375 CarbonylContact C-O 3.51Å; T371-R375 WeakPolarHBondContact CA-O 3.45Å; T371-R375 VanDerWaalsContact CB-O 3.23Å; T371-R375 WeakPolarHBondContact CB-O 3.46Å; K372-R375 PolarHBondContact N-O 2.99Å; K372-R375 PolarHBondContact O-N 2.78Å; D373-R375 VanDerWaalsContact C-N 3.25Å; D373-R375 PolarHBondContact O-N 2.9Å; R375-V377 PolarHBondContact O-N 2.77Å
376P88.3Confident83.7Confident110 Ų11076 Ų7671%0.71442%0.419SS*.EExtended strand (participates in β ladder)trans-53.9135.4175-25.734.8000111.8
377V84.9Confident83.4Confident26 Ų2677.7 Ų77.716%0.15843%0.426CS..PPolyproline II helixtrans-64.7133.9171177.50000108.1W370 K372 R375 Y384 L392 Y405W370-V377 HydrophobicContact CB-CB 4.29Å; W370-V377 HydrophobicContact CB-CG2 3.85Å; W370-V377 PolarHBondContact O-N 3.32Å; K372-V377 HydrophobicContact CB-CG2 4.28Å; R375-V377 PolarHBondContact O-N 2.77Å; V377-Y384 HydrophobicContact CG1-CD1 3.51Å; V377-Y384 HydrophobicContact CG1-CE1 3.94Å; V377-Y384 HydrophobicContact CG1-CG 4.16Å; V377-L392 HydrophobicContact CG1-CD1 4.47Å; V377-L392 HydrophobicContact CG1-CD2 4.49Å; V377-L392 HydrophobicContact CG2-CD2 4.24Å; V377-Y405 HydrophobicContact CG2-CD1 4.48Å; V377-Y405 HydrophobicContact CG2-CE1 4.45Å
378P68.4Low83Confident81 Ų8178.9 Ų78.953%0.52644%0.441SS..PPolyproline II helixtrans-54.9153.6179.9-28.336.2000113.4
379P63.8Low82.6Confident118 Ų11880.2 Ų80.277%0.76645%0.451SS*.SBendtrans-57154.4176.825.8-35.5000111.6T381P379-T381 WeakPolarHBondContact O-CG2 3.39Å; P379-T381 PolarHBondContact O-N 2.79Å
380I65.4Low82.4Confident133 Ų13377.4 Ų77.468%0.68244%0.436SS*.SBendtrans-41.4119.7-167.8-60.4171.1000112.2Y384I380-Y384 WeakPolarHBondContact CA-O 3.48Å
381T72.7Confident82.3Confident65 Ų6576.6 Ų76.640%0.39943%0.433SS..  trans-120.8170.817767.20000110.5P379 R383 Y384P379-T381 WeakPolarHBondContact O-CG2 3.39Å; P379-T381 PolarHBondContact O-N 2.79Å; T381-R383 PolarHBondContact O-N 2.89Å; T381-R383 PolarHBondContact OG1-N 3.34Å; T381-Y384 PolarHBondContact N-O 2.86Å; T381-Y384 CarbonylContact O-C 3.52Å; T381-Y384 PolarHBondContact O-N 3.37Å; T381-Y384 VanDerWaalsContact O-O 3.09Å; T381-Y384 PolarHBondContact OG1-N 3.42Å
382N69Low82.2Confident170 Ų17075.2 Ų75.291%0.90942%0.424SS*.SBendtrans-64.6-6.3174.5-147.127.5000114
383R77.5Confident82.2Confident64 Ų6478 Ų7824%0.24243%0.433CS..SBendtrans-109.9-27.3169.9-56-153.2-49.6116.32.4114.2T381 L394 A395 Q396 D401T381-R383 PolarHBondContact O-N 2.89Å; T381-R383 PolarHBondContact OG1-N 3.34Å; R383-L394 CarbonylContact O-C 3.57Å; R383-L394 WeakPolarHBondContact O-CA 3.31Å; R383-A395 PolarHBondContact O-N 3.38Å; R383-Q396 PolarHBondContact NH1-O 2.77Å; R383-D401 IonicContact CZ-OD1 3.62Å; R383-D401 IonicContact CZ-OD2 3.67Å; R383-D401 IonicContact NH1-OD1 2.7Å; R383-D401 IonicContact NH1-OD2 3.18Å; R383-D401 PolarHBondContact NH1-OD2 2.89Å; R383-D401 IonicContact NH2-OD1 3.66Å; R383-D401 PolarHBondContact NH2-OD1 2.85Å; R383-D401 IonicContact NH2-OD2 3.76Å; R383-D401 PolarHBondContact NH2-OD2 2.98Å
384Y82.6Confident82.2Confident27 Ų2774.8 Ų74.811%0.10642%0.416CS..EExtended strand (participates in β ladder)trans-117.8104.5-176.8-76.7-92.4000110.1V377 I380 T381 L392 L394 D401 Y405V377-Y384 HydrophobicContact CG1-CD1 3.51Å; V377-Y384 HydrophobicContact CG1-CE1 3.94Å; V377-Y384 HydrophobicContact CG1-CG 4.16Å; I380-Y384 WeakPolarHBondContact CA-O 3.48Å; T381-Y384 PolarHBondContact N-O 2.86Å; T381-Y384 CarbonylContact O-C 3.52Å; T381-Y384 PolarHBondContact O-N 3.37Å; T381-Y384 VanDerWaalsContact O-O 3.09Å; T381-Y384 PolarHBondContact OG1-N 3.42Å; Y384-L392 HydrophobicContact CD1-CD1 4.32Å; Y384-L392 HydrophobicContact CD1-CD2 4.47Å; Y384-L394 HydrophobicContact CD1-CD2 4.29Å; Y384-L394 HydrophobicContact CD1-CG 4.14Å; Y384-L394 HydrophobicContact CE1-CD2 3.54Å; Y384-L394 HydrophobicContact CE1-CG 3.89Å; Y384-D401 PolarHBondContact OH-OD1 2.83Å; Y384-Y405 HydrophobicContact CE1-CE1 4.2Å; Y384-Y405 PolarHBondContact OH-OH 2.88Å; Y384-Y405 VanDerWaalsContact OH-OH 3.07Å
385G83.8Confident82.1Confident18 Ų1869.9 Ų69.919%0.18638%0.382CS..EExtended strand (participates in β ladder)trans-114.7132.7177.500000112.2R393G385-R393 PolarHBondContact N-O 2.79Å; G385-R393 WeakPolarHBondContact O-CB 3.47Å; G385-R393 PolarHBondContact O-N 2.7Å
386L86.4Confident82Confident81 Ų8167.2 Ų67.242%0.42438%0.378SS..EExtended strand (participates in β ladder)trans-88.9123.3168.9-169.768000108.8G390L386-G390 WeakPolarHBondContact CD1-O 3.02Å
387L86.7Confident82Confident60 Ų6062 Ų6231%0.31435%0.345SS..  trans-79.7156.7176.5-63.5179.4000110.8T355 S389 G390 S391 R393T355-L387 HydrophobicContact CG2-CD1 3.9Å; L387-S389 PolarHBondContact O-N 2.88Å; L387-G390 PolarHBondContact O-N 2.99Å; L387-S391 WeakPolarHBondContact CB-O 3.29Å; L387-S391 PolarHBondContact N-O 3.29Å; L387-R393 HydrophobicContact CD1-CB 4.4Å; L387-R393 HydrophobicContact CD2-CB 4.41Å; L387-R393 HydrophobicContact CG-CB 4.21Å
388P84.5Confident82.1Confident144 Ų14465.8 Ų65.894%0.93536%0.36SS*.THydrogen-bonded Turntrans-59.4-17.1177.8-25.935.7000115.2G390P388-G390 VanDerWaalsContact C-N 3.29Å
389S84Confident83Confident47 Ų4766 Ų6633%0.32936%0.36SS..THydrogen-bonded Turntrans-74-14.7171.355.90000114.1E359 L387 S391E359-S389 WeakPolarHBondContact CA-O 3.45Å; L387-S389 PolarHBondContact O-N 2.88Å; S389-S391 VanDerWaalsContact OG-CB 3.28Å; S389-S391 WeakPolarHBondContact OG-CB 3.46Å; S389-S391 PolarHBondContact OG-N 2.86Å; S389-S391 VanDerWaalsContact OG-N 3.15Å; S389-S391 PolarHBondContact OG-OG 2.86Å
390G86.9Confident84Confident7 Ų763.4 Ų63.47%0.07236%0.355CS..SBendtrans88.6-6-164.600000114.2V368 W370 L386 L387 P388V368-G390 WeakPolarHBondContact CG1-O 3.3Å; W370-G390 PolarHBondContact NE1-O 2.84Å; L386-G390 WeakPolarHBondContact CD1-O 3.02Å; L387-G390 PolarHBondContact O-N 2.99Å; P388-G390 VanDerWaalsContact C-N 3.29Å
391S90.6Very high85.1Confident1 Ų157.5 Ų57.51%0.00733%0.325CS..PPolyproline II helixtrans-66.6140.9175.6-52.70000111.6L356 D357 C358 L387 S389L356-S391 CarbonylContact O-C 3.55Å; L356-S391 VanDerWaalsContact O-CA 3.29Å; L356-S391 WeakPolarHBondContact O-CA 3.36Å; L356-S391 WeakPolarHBondContact O-CB 3.5Å; D357-S391 WeakPolarHBondContact CA-OG 3.49Å; D357-S391 WeakPolarHBondContact OD1-CB 3.29Å; D357-S391 PolarHBondContact OD1-OG 2.72Å; C358-S391 PolarHBondContact N-OG 2.86Å; L387-S391 WeakPolarHBondContact CB-O 3.29Å; L387-S391 PolarHBondContact N-O 3.29Å; S389-S391 VanDerWaalsContact OG-CB 3.28Å; S389-S391 WeakPolarHBondContact OG-CB 3.46Å; S389-S391 PolarHBondContact OG-N 2.86Å; S389-S391 VanDerWaalsContact OG-N 3.15Å; S389-S391 PolarHBondContact OG-OG 2.86Å
392L91.1Very high85.9Confident6 Ų656.2 Ų56.23%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-94.9117.9177.9-179.166.7000110.9T355 L356 W370 V377 Y384 L394 Y405T355-L392 CarbonylContact C-O 3.54Å; T355-L392 WeakPolarHBondContact CA-O 3.36Å; L356-L392 PolarHBondContact N-O 3.07Å; L356-L392 PolarHBondContact O-N 2.87Å; W370-L392 HydrophobicContact CB-CD2 4.29Å; W370-L392 HydrophobicContact CD2-CB 3.67Å; W370-L392 HydrophobicContact CD2-CD2 3.93Å; W370-L392 HydrophobicContact CD2-CG 4.38Å; W370-L392 VanDerWaalsContact CE2-CB 3.42Å; W370-L392 HydrophobicContact CE3-CB 4.14Å; W370-L392 HydrophobicContact CE3-CD2 3.94Å; W370-L392 HydrophobicContact CG-CB 4.09Å; W370-L392 HydrophobicContact CG-CD2 4.11Å; W370-L392 HydrophobicContact CH2-CB 4.16Å; W370-L392 HydrophobicContact CZ2-CB 3.68Å; W370-L392 HydrophobicContact CZ3-CB 4.37Å; V377-L392 HydrophobicContact CG1-CD1 4.47Å; V377-L392 HydrophobicContact CG1-CD2 4.49Å; V377-L392 HydrophobicContact CG2-CD2 4.24Å; Y384-L392 HydrophobicContact CD1-CD1 4.32Å; Y384-L392 HydrophobicContact CD1-CD2 4.47Å; L392-L394 HydrophobicContact CD2-CD1 4.04Å; L392-L394 HydrophobicContact CG-CD1 3.92Å; L392-Y405 HydrophobicContact CD2-CD1 3.92Å; L392-Y405 HydrophobicContact CD2-CE1 4.06Å
393R90.8Very high87Confident99 Ų9948.8 Ų48.837%0.37428%0.282SS..EExtended strand (participates in β ladder)trans-96.7120.4175.1178.8179.7174.1-112.5-4.8110.2E353 V354 G385 L387E353-R393 VanDerWaalsContact CD-NH2 3.35Å; E353-R393 HydrophobicContact CG-CG 4.35Å; E353-R393 IonicContact OE1-CZ 3.71Å; E353-R393 IonicContact OE1-NE 2.83Å; E353-R393 PolarHBondContact OE1-NE 2.97Å; E353-R393 IonicContact OE1-NH2 2.66Å; E353-R393 PolarHBondContact OE1-NH2 3.28Å; E353-R393 IonicContact OE2-CZ 3.19Å; E353-R393 IonicContact OE2-NE 3.73Å; E353-R393 PolarHBondContact OE2-NE 2.9Å; E353-R393 IonicContact OE2-NH2 3.94Å; E353-R393 PolarHBondContact OE2-NH2 2.03Å; V354-R393 CarbonylContact O-C 3.52Å; V354-R393 WeakPolarHBondContact O-CA 3.14Å; G385-R393 PolarHBondContact N-O 2.79Å; G385-R393 WeakPolarHBondContact O-CB 3.47Å; G385-R393 PolarHBondContact O-N 2.7Å; L387-R393 HydrophobicContact CD1-CB 4.4Å; L387-R393 HydrophobicContact CD2-CB 4.41Å; L387-R393 HydrophobicContact CG-CB 4.21Å
394L90.6Very high87.7Confident1 Ų151.4 Ų51.41%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-106.3108.7172.6-60.988.9000109.2E353 V354 L356 R383 Y384 L392 V397 D401 Y405 L422E353-L394 WeakPolarHBondContact CA-O 3.29Å; V354-L394 PolarHBondContact N-O 3.11Å; V354-L394 PolarHBondContact O-N 2.83Å; L356-L394 HydrophobicContact CD1-CD1 4.08Å; L356-L394 HydrophobicContact CG-CD1 4.08Å; R383-L394 CarbonylContact O-C 3.57Å; R383-L394 WeakPolarHBondContact O-CA 3.31Å; Y384-L394 HydrophobicContact CD1-CD2 4.29Å; Y384-L394 HydrophobicContact CD1-CG 4.14Å; Y384-L394 HydrophobicContact CE1-CD2 3.54Å; Y384-L394 HydrophobicContact CE1-CG 3.89Å; L392-L394 HydrophobicContact CD2-CD1 4.04Å; L392-L394 HydrophobicContact CG-CD1 3.92Å; L394-V397 HydrophobicContact CB-CG2 3.78Å; L394-V397 WeakPolarHBondContact O-CG2 3.37Å; L394-D401 HydrophobicContact CD2-CB 4.47Å; L394-Y405 HydrophobicContact CD2-CE1 4.09Å; L394-Y405 WeakPolarHBondContact CD2-OH 3.43Å; L394-L422 HydrophobicContact CD2-CD2 4.03Å
395A86.6Confident88.2Confident14 Ų1450.2 Ų50.212%0.11629%0.292CS..SBendtrans-92.4136.7176.600000111.1R383R383-A395 PolarHBondContact O-N 3.38Å
396Q86.6Confident88.6Confident139 Ų13952.3 Ų52.365%0.6530%0.297SS*.SBendtrans52.765-175.9-57.4-179.18.300111.8E352 R383E352-Q396 PolarHBondContact O-N 3.03Å; R383-Q396 PolarHBondContact NH1-O 2.77Å
397V88.3Confident88.9Confident1 Ų148.5 Ų48.51%0.00628%0.277CS..  trans-64.4134.4-176.8-1750000110.7A350 G351 E352 V354 L394 D401 L422 V424A350-V397 CarbonylContact C-O 3.58Å; A350-V397 VanDerWaalsContact CA-O 3.3Å; A350-V397 WeakPolarHBondContact CA-O 3.49Å; G351-V397 PolarHBondContact N-O 3.21Å; E352-V397 WeakPolarHBondContact O-CG2 3.23Å; E352-V397 PolarHBondContact O-N 3.48Å; V354-V397 HydrophobicContact CB-CG2 4.01Å; V354-V397 HydrophobicContact CG2-CG2 3.82Å; L394-V397 HydrophobicContact CB-CG2 3.78Å; L394-V397 WeakPolarHBondContact O-CG2 3.37Å; V397-D401 HydrophobicContact CG1-CB 3.98Å; V397-L422 HydrophobicContact CG1-CD2 4.26Å; V397-V424 HydrophobicContact CG1-CB 4.33Å; V397-V424 HydrophobicContact CG1-CG1 3.91Å; V397-V424 HydrophobicContact CG1-CG2 3.42Å; V397-V424 VanDerWaalsContact CG1-CG2 3.42Å
398Q88.9Confident89.2Confident105 Ų10547.2 Ų47.249%0.49127%0.272SS..  trans-111.4161.9-178.6-59.5179.5-200111.1G400 D401Q398-G400 PolarHBondContact O-N 3.45Å; Q398-D401 WeakPolarHBondContact CB-OD2 3.37Å; Q398-D401 PolarHBondContact N-OD2 2.95Å; Q398-D401 WeakPolarHBondContact O-CB 3.39Å; Q398-D401 PolarHBondContact O-N 3.43Å
399V85.8Confident89.6Confident85 Ų8540.4 Ų40.452%0.51523%0.227SC..G310 helixtrans-56.1-37.8-179.9-177.20000111.9D401 S402V399-D401 VanDerWaalsContact C-N 3.29Å; V399-D401 PolarHBondContact O-N 3.07Å; V399-S402 VanDerWaalsContact O-CB 3.26Å; V399-S402 WeakPolarHBondContact O-CB 3.24Å; V399-S402 PolarHBondContact O-N 2.82Å; V399-S402 VanDerWaalsContact O-N 3.11Å; V399-S402 PolarHBondContact O-OG 2.92Å
400G85.3Confident90.1Very high65 Ų6540.3 Ų40.367%0.6723%0.227SC*.G310 helixtrans-73.1-10.5175.900000115.9K372 Q398K372-G400 PolarHBondContact NZ-O 3.42Å; Q398-G400 PolarHBondContact O-N 3.45Å
401D87.6Confident90.5Very high8 Ų841 Ų414%0.04323%0.229CC..G310 helixtrans-78.9-7167.7-58.9-57.1000111.4K372 R383 Y384 L394 V397 Q398 V399 Y405K372-D401 WeakPolarHBondContact CE-O 3.3Å; R383-D401 IonicContact CZ-OD1 3.62Å; R383-D401 IonicContact CZ-OD2 3.67Å; R383-D401 IonicContact NH1-OD1 2.7Å; R383-D401 IonicContact NH1-OD2 3.18Å; R383-D401 PolarHBondContact NH1-OD2 2.89Å; R383-D401 IonicContact NH2-OD1 3.66Å; R383-D401 PolarHBondContact NH2-OD1 2.85Å; R383-D401 IonicContact NH2-OD2 3.76Å; R383-D401 PolarHBondContact NH2-OD2 2.98Å; Y384-D401 PolarHBondContact OH-OD1 2.83Å; L394-D401 HydrophobicContact CD2-CB 4.47Å; V397-D401 HydrophobicContact CG1-CB 3.98Å; Q398-D401 WeakPolarHBondContact CB-OD2 3.37Å; Q398-D401 PolarHBondContact N-OD2 2.95Å; Q398-D401 WeakPolarHBondContact O-CB 3.39Å; Q398-D401 PolarHBondContact O-N 3.43Å; V399-D401 VanDerWaalsContact C-N 3.29Å; V399-D401 PolarHBondContact O-N 3.07Å; D401-Y405 VanDerWaalsContact O-CE2 3.28Å; D401-Y405 WeakPolarHBondContact O-CE2 3.47Å; D401-Y405 PolarHBondContact O-OH 3.43Å
402S90.6Very high90.7Very high39 Ų3945.5 Ų45.527%0.27326%0.258SS..  trans-59140.1169.4-51.90000111K372 V399 L422 V424K372-S402 WeakPolarHBondContact CE-O 3.35Å; K372-S402 PolarHBondContact NZ-O 3.01Å; V399-S402 VanDerWaalsContact O-CB 3.26Å; V399-S402 WeakPolarHBondContact O-CB 3.24Å; V399-S402 PolarHBondContact O-N 2.82Å; V399-S402 VanDerWaalsContact O-N 3.11Å; V399-S402 PolarHBondContact O-OG 2.92Å; S402-L422 CarbonylContact C-O 3.43Å; S402-L422 WeakPolarHBondContact CA-O 3.42Å; S402-L422 WeakPolarHBondContact CB-O 3.42Å; S402-V424 WeakPolarHBondContact OG-CB 3.01Å; S402-V424 WeakPolarHBondContact OG-CG2 3.03Å; S402-V424 PolarHBondContact OG-N 3Å; S402-V424 VanDerWaalsContact OG-N 3.11Å
403G90.9Very high90.7Very high13 Ų1346.5 Ų46.513%0.13427%0.268CS..EExtended strand (participates in β ladder)trans159.1-173-179.600000113.9L422G403-L422 PolarHBondContact N-O 2.7Å; G403-L422 PolarHBondContact O-N 2.86Å
404H93.1Very high90.8Very high119 Ų11943.4 Ų43.455%0.55127%0.266SS*.EExtended strand (participates in β ladder)trans-91.3116.3177.1-58.580.5000109.4K372 D373 Y420K372-H404 CarbonylContact C-O 3.2Å; K372-H404 WeakPolarHBondContact CA-O 3.44Å; D373-H404 PolarHBondContact N-O 3.29Å; D373-H404 IonicContact OD1-CG 3.97Å; D373-H404 PolarHBondContact OD1-N 3.18Å; D373-H404 IonicContact OD1-ND1 3.42Å; D373-H404 PolarHBondContact OD1-ND1 3.23Å; H404-Y420 WeakPolarHBondContact CA-O 3.45Å
405Y92.4Very high91Very high2 Ų246.9 Ų46.91%0.00829%0.291CS..EExtended strand (participates in β ladder)trans-103.9135.8173.7-72-100.7000109.5L356 T371 K372 V377 Y384 L392 L394 D401 R419 Y420 L422L356-Y405 HydrophobicContact CD1-CD1 4.03Å; L356-Y405 HydrophobicContact CD1-CD2 4.06Å; L356-Y405 HydrophobicContact CD1-CG 3.66Å; T371-Y405 WeakPolarHBondContact O-CA 3.19Å; K372-Y405 HydrophobicContact CB-CD1 4.02Å; K372-Y405 HydrophobicContact CB-CE1 3.79Å; K372-Y405 HydrophobicContact CD-CE1 4Å; K372-Y405 HydrophobicContact CD-CE2 4.01Å; K372-Y405 VanDerWaalsContact CD-OH 3.29Å; K372-Y405 WeakPolarHBondContact CD-OH 3.15Å; K372-Y405 WeakPolarHBondContact CE-OH 3.36Å; K372-Y405 HydrophobicContact CG-CD1 4.15Å; K372-Y405 HydrophobicContact CG-CD2 4.22Å; K372-Y405 HydrophobicContact CG-CE1 3.76Å; K372-Y405 HydrophobicContact CG-CE2 3.81Å; K372-Y405 HydrophobicContact CG-CG 4.37Å; V377-Y405 HydrophobicContact CG2-CD1 4.48Å; V377-Y405 HydrophobicContact CG2-CE1 4.45Å; Y384-Y405 HydrophobicContact CE1-CE1 4.2Å; Y384-Y405 PolarHBondContact OH-OH 2.88Å; Y384-Y405 VanDerWaalsContact OH-OH 3.07Å; L392-Y405 HydrophobicContact CD2-CD1 3.92Å; L392-Y405 HydrophobicContact CD2-CE1 4.06Å; L394-Y405 HydrophobicContact CD2-CE1 4.09Å; L394-Y405 WeakPolarHBondContact CD2-OH 3.43Å; D401-Y405 VanDerWaalsContact O-CE2 3.28Å; D401-Y405 WeakPolarHBondContact O-CE2 3.47Å; D401-Y405 PolarHBondContact O-OH 3.43Å; Y405-R419 CarbonylContact O-C 3.44Å; Y405-R419 WeakPolarHBondContact O-CA 3.28Å; Y405-Y420 PolarHBondContact N-O 2.91Å; Y405-Y420 PolarHBondContact O-N 2.85Å; Y405-L422 HydrophobicContact CD2-CB 3.95Å; Y405-L422 HydrophobicContact CD2-CD2 4.41Å; Y405-L422 HydrophobicContact CE2-CB 3.9Å; Y405-L422 HydrophobicContact CE2-CD2 3.75Å; Y405-L422 HydrophobicContact CE2-CG 4.44Å
406E92.7Very high91.2Very high63 Ų6347.6 Ų47.629%0.29430%0.296SS..EExtended strand (participates in β ladder)trans-128.5122.4173.9180162.7-124.400109.6W370 T371 H418 R419W370-E406 WeakPolarHBondContact CA-O 3.47Å; T371-E406 PolarHBondContact N-O 2.9Å; T371-E406 PolarHBondContact O-N 2.99Å; E406-H418 WeakPolarHBondContact CA-O 3.34Å; E406-R419 HydrophobicContact CB-CG 4.25Å; E406-R419 HydrophobicContact CG-CG 3.98Å; E406-R419 WeakPolarHBondContact OE1-CD 3.48Å; E406-R419 WeakPolarHBondContact OE1-CG 3.47Å
407C92.3Very high91.5Very high0 Ų043 Ų430%028%0.28CS..EExtended strand (participates in β ladder)trans-90.1137.7166.385.60000109.3C358 T369 W370 S417 H418C358-C407 HydrophobicContact CB-CB 3.57Å; C358-C407 WeakPolarHBondContact CB-SG 3.24Å; C358-C407 WeakPolarHBondContact SG-CB 3.44Å; C358-C407 CovalentContact SG-SG 2.04Å; C358-C407 PolarHBondContact SG-SG 3.45Å; T369-C407 CarbonylContact O-C 3.58Å; T369-C407 VanDerWaalsContact O-CA 3.31Å; T369-C407 WeakPolarHBondContact O-CA 3.29Å; W370-C407 HydrophobicContact CD2-CB 3.6Å; W370-C407 VanDerWaalsContact CE2-CB 3.43Å; W370-C407 HydrophobicContact CE3-CB 3.74Å; W370-C407 HydrophobicContact CG-CB 4.35Å; W370-C407 HydrophobicContact CH2-CB 3.63Å; W370-C407 HydrophobicContact CZ2-CB 3.48Å; W370-C407 VanDerWaalsContact CZ2-CB 3.48Å; W370-C407 HydrophobicContact CZ3-CB 3.76Å; C407-S417 CarbonylContact O-C 3.53Å; C407-S417 WeakPolarHBondContact O-CA 3.42Å; C407-S417 WeakPolarHBondContact O-CB 3.35Å; C407-H418 PolarHBondContact N-O 3.13Å; C407-H418 PolarHBondContact O-N 2.84Å
408T93.1Very high91.5Very high34 Ų3443.2 Ų43.221%0.20928%0.28CS..EExtended strand (participates in β ladder)trans-128.2117.8174.2-67.70000109T369 S417T369-T408 PolarHBondContact N-O 2.87Å; T369-T408 PolarHBondContact O-N 3.39Å; T369-T408 PolarHBondContact OG1-O 2.86Å; T408-S417 WeakPolarHBondContact CG2-OG 3.28Å; T408-S417 PolarHBondContact OG1-OG 2.67Å
409A94.4Very high91.6Very high0 Ų043.5 Ų43.50%028%0.277CS..EExtended strand (participates in β ladder)trans-100.3127.6174.500000109.4P330 I332 A360 P366 L367 V368 S415 A416P330-A409 HydrophobicContact CB-CB 3.96Å; P330-A409 WeakPolarHBondContact CG-O 3.47Å; I332-A409 HydrophobicContact CG1-CB 4.34Å; A360-A409 HydrophobicContact CB-CB 3.35Å; P366-A409 HydrophobicContact CB-CB 4.18Å; L367-A409 CarbonylContact O-C 3.52Å; L367-A409 WeakPolarHBondContact O-CA 3.31Å; V368-A409 HydrophobicContact CG2-CB 4.08Å; A409-S415 CarbonylContact O-C 3.56Å; A409-S415 WeakPolarHBondContact O-CA 3.15Å; A409-S415 WeakPolarHBondContact O-CB 3.34Å; A409-A416 PolarHBondContact N-O 2.9Å; A409-A416 PolarHBondContact O-N 2.84Å
410S94.3Very high91.9Very high46 Ų4639.8 Ų39.832%0.32225%0.254SS..EExtended strand (participates in β ladder)trans-135145.7-175.663.10000113.6P366 L367P366-S410 CarbonylContact C-O 3.51Å; P366-S410 VanDerWaalsContact CA-O 3.24Å; P366-S410 WeakPolarHBondContact CA-O 3.32Å; L367-S410 PolarHBondContact N-O 3.2Å; L367-S410 PolarHBondContact O-N 3.02Å
411N95Very high92.2Very high20 Ų2038.3 Ų38.311%0.10723%0.232CC..EExtended strand (participates in β ladder)trans-149.2176.7170.277.17.8000110.3T328 P330 S363 P364 P366 A413 G414T328-N411 PolarHBondContact O-ND2 3.46Å; P330-N411 HydrophobicContact CG-CB 4.35Å; S363-N411 PolarHBondContact O-ND2 3.08Å; P364-N411 PolarHBondContact O-ND2 2.7Å; P366-N411 HydrophobicContact CB-CB 4.45Å; N411-A413 PolarHBondContact O-N 2.9Å; N411-A413 WeakPolarHBondContact OD1-CA 3.5Å; N411-A413 WeakPolarHBondContact OD1-CB 3.29Å; N411-A413 PolarHBondContact OD1-N 3.24Å; N411-G414 PolarHBondContact N-O 2.79Å; N411-G414 PolarHBondContact O-N 3.13Å; N411-G414 PolarHBondContact OD1-N 3.32Å
412P94Very high92.4Very high97 Ų9738 Ų3863%0.6323%0.23SC*.THydrogen-bonded Turntrans-58.6-12.1178.4-30.337.4000117.5P364P364-P412 HydrophobicContact CG-CG 4.47Å
413A91.7Very high92.4Very high27 Ų2737.6 Ų37.622%0.22323%0.232CC..THydrogen-bonded Turntrans-95.1-3172.900000113.6N327 K329 N411N327-A413 HydrophobicContact CB-CB 3.79Å; K329-A413 HydrophobicContact CB-CB 4.44Å; N411-A413 PolarHBondContact O-N 2.9Å; N411-A413 WeakPolarHBondContact OD1-CA 3.5Å; N411-A413 WeakPolarHBondContact OD1-CB 3.29Å; N411-A413 PolarHBondContact OD1-N 3.24Å
414G93.1Very high92.4Very high33 Ų3337.6 Ų37.634%0.3423%0.229SC..EExtended strand (participates in β ladder)trans133.9-161175.100000113.2P330 N411P330-G414 VanDerWaalsContact CD-O 3.23Å; P330-G414 WeakPolarHBondContact CD-O 3.29Å; P330-G414 WeakPolarHBondContact CG-O 3.48Å; N411-G414 PolarHBondContact N-O 2.79Å; N411-G414 PolarHBondContact O-N 3.13Å; N411-G414 PolarHBondContact OD1-N 3.32Å
415S93.5Very high92Very high75 Ų7537.7 Ų37.752%0.52423%0.23SC..EExtended strand (participates in β ladder)trans-130.2162.8178.3570000112.7A409A409-S415 CarbonylContact O-C 3.56Å; A409-S415 WeakPolarHBondContact O-CA 3.15Å; A409-S415 WeakPolarHBondContact O-CB 3.34Å
416A92.6Very high91.1Very high28 Ų2839.5 Ų39.523%0.23125%0.249CC..EExtended strand (participates in β ladder)trans-137.5145.7161.900000108.5P330 I332 A409P330-A416 HydrophobicContact CB-CB 4.35Å; P330-A416 VanDerWaalsContact O-CB 3.29Å; P330-A416 WeakPolarHBondContact O-CB 3.37Å; I332-A416 HydrophobicContact CD1-CB 4.2Å; I332-A416 HydrophobicContact CG1-CB 4.28Å; A409-A416 PolarHBondContact N-O 2.9Å; A409-A416 PolarHBondContact O-N 2.84Å
417S91.8Very high89.5Confident43 Ų4348.4 Ų48.430%0.30128%0.28SS..EExtended strand (participates in β ladder)trans-130151.5-179.7-54.40000110.5C407 T408C407-S417 CarbonylContact O-C 3.53Å; C407-S417 WeakPolarHBondContact O-CA 3.42Å; C407-S417 WeakPolarHBondContact O-CB 3.35Å; T408-S417 WeakPolarHBondContact CG2-OG 3.28Å; T408-S417 PolarHBondContact OG1-OG 2.67Å
418H89.3Confident87.4Confident5 Ų554 Ų542%0.02331%0.314CS..EExtended strand (participates in β ladder)trans-137.9145.4170.4-167.952.3000111.2I332 M334 A340 E406 C407 Y420I332-H418 HydrophobicContact CD1-CB 4.07Å; M334-H418 HydrophobicContact CE-CB 4.06Å; M334-H418 VanDerWaalsContact CE-CD2 3.41Å; M334-H418 WeakPolarHBondContact CE-CD2 3.48Å; A340-H418 PolarHBondContact O-ND1 2.86Å; E406-H418 WeakPolarHBondContact CA-O 3.34Å; C407-H418 PolarHBondContact N-O 3.13Å; C407-H418 PolarHBondContact O-N 2.84Å; H418-Y420 AromaticContact CD2-CE2 3.82Å
419R91.3Very high85.1Confident111 Ų11158 Ų5842%0.41934%0.344SS..EExtended strand (participates in β ladder)trans-115.1144-168.6-61.9-176-62-175.50.6111D341 P343 L344 Y405 E406D341-R419 PolarHBondContact O-NH2 3.43Å; P343-R419 CarbonylContact C-O 3.56Å; P343-R419 VanDerWaalsContact CA-O 3.23Å; P343-R419 WeakPolarHBondContact CA-O 3.47Å; P343-R419 HydrophobicContact CB-CB 4.04Å; P343-R419 HydrophobicContact CG-CB 4.19Å; L344-R419 PolarHBondContact N-O 2.82Å; Y405-R419 CarbonylContact O-C 3.44Å; Y405-R419 WeakPolarHBondContact O-CA 3.28Å; E406-R419 HydrophobicContact CB-CG 4.25Å; E406-R419 HydrophobicContact CG-CG 3.98Å; E406-R419 WeakPolarHBondContact OE1-CD 3.48Å; E406-R419 WeakPolarHBondContact OE1-CG 3.47Å
420Y91Very high82.2Confident7 Ų768.9 Ų68.93%0.02739%0.385CS..EExtended strand (participates in β ladder)trans-130.3146.3-178.7-75.5-90.7000109.5M334 L344 V346 L356 D357 W370 H404 Y405 H418M334-Y420 HydrophobicContact CE-CE2 4.24Å; M334-Y420 VanDerWaalsContact CE-OH 3.31Å; M334-Y420 WeakPolarHBondContact CE-OH 3.36Å; M334-Y420 PolarHBondContact SD-OH 2.9Å; L344-Y420 HydrophobicContact CB-CD1 3.97Å; L344-Y420 HydrophobicContact CB-CE1 4.05Å; L344-Y420 HydrophobicContact CD2-CD1 4.4Å; L344-Y420 HydrophobicContact CD2-CE1 3.77Å; L344-Y420 HydrophobicContact CG-CE1 4.42Å; L344-Y420 WeakPolarHBondContact O-CA 3.16Å; V346-Y420 HydrophobicContact CG2-CD1 3.75Å; V346-Y420 HydrophobicContact CG2-CE1 4.08Å; L356-Y420 HydrophobicContact CB-CD1 4.37Å; L356-Y420 HydrophobicContact CB-CD2 4.33Å; L356-Y420 HydrophobicContact CB-CE1 4.24Å; L356-Y420 HydrophobicContact CB-CE2 4.23Å; L356-Y420 HydrophobicContact CB-CG 4.41Å; L356-Y420 HydrophobicContact CD1-CG 4.38Å; L356-Y420 HydrophobicContact CD2-CD1 3.78Å; L356-Y420 HydrophobicContact CD2-CE1 4.12Å; L356-Y420 HydrophobicContact CD2-CG 4.24Å; D357-Y420 PolarHBondContact N-OH 2.83Å; D357-Y420 VanDerWaalsContact N-OH 3.09Å; D357-Y420 WeakPolarHBondContact O-CE2 3.19Å; D357-Y420 PolarHBondContact O-OH 3.1Å; W370-Y420 HydrophobicContact CH2-CD2 4.03Å; W370-Y420 AromaticContact CH2-CE2 3.8Å; W370-Y420 HydrophobicContact CH2-CE2 3.8Å; W370-Y420 AromaticContact CZ3-CD2 3.95Å; W370-Y420 HydrophobicContact CZ3-CD2 3.95Å; W370-Y420 HydrophobicContact CZ3-CE2 4.21Å; H404-Y420 WeakPolarHBondContact CA-O 3.45Å; Y405-Y420 PolarHBondContact N-O 2.91Å; Y405-Y420 PolarHBondContact O-N 2.85Å; H418-Y420 AromaticContact CD2-CE2 3.82Å
421V92.4Very high79.5Confident34 Ų3475.1 Ų75.121%0.20641%0.409CS..EExtended strand (participates in β ladder)trans-116.8111.5165.1178.80000107.2P343 L344 V346P343-V421 HydrophobicContact CB-CG2 3.94Å; L344-V421 PolarHBondContact O-N 2.98Å; V346-V421 PolarHBondContact N-O 2.9Å
422L91.2Very high77.1Confident3 Ų380.3 Ų80.32%0.01644%0.444CS..EExtended strand (participates in β ladder)trans-93.8117.1177.9-17957.1000109.3V346 V354 L394 V397 S402 G403 Y405 V424V346-L422 HydrophobicContact CB-CD1 4.26Å; V346-L422 HydrophobicContact CG1-CD1 3.94Å; V346-L422 WeakPolarHBondContact O-CA 3.4Å; V354-L422 HydrophobicContact CG1-CD1 4.25Å; V354-L422 HydrophobicContact CG2-CD1 4.37Å; L394-L422 HydrophobicContact CD2-CD2 4.03Å; V397-L422 HydrophobicContact CG1-CD2 4.26Å; S402-L422 CarbonylContact C-O 3.43Å; S402-L422 WeakPolarHBondContact CA-O 3.42Å; S402-L422 WeakPolarHBondContact CB-O 3.42Å; G403-L422 PolarHBondContact N-O 2.7Å; G403-L422 PolarHBondContact O-N 2.86Å; Y405-L422 HydrophobicContact CD2-CB 3.95Å; Y405-L422 HydrophobicContact CD2-CD2 4.41Å; Y405-L422 HydrophobicContact CE2-CB 3.9Å; Y405-L422 HydrophobicContact CE2-CD2 3.75Å; Y405-L422 HydrophobicContact CE2-CG 4.44Å; L422-V424 HydrophobicContact CD1-CG2 4.39Å; L422-V424 HydrophobicContact CD2-CG2 4.39Å; L422-V424 HydrophobicContact CG-CG2 3.97Å
423G90.9Very high74.4Confident30 Ų3084.6 Ų84.631%0.30946%0.456SS..EExtended strand (participates in β ladder)trans-111116.4175.100000111.5V346 T347 A348V346-G423 PolarHBondContact O-N 2.94Å; T347-G423 WeakPolarHBondContact CA-O 3.3Å; A348-G423 PolarHBondContact N-O 3.19Å; A348-G423 VanDerWaalsContact N-O 3.15Å
424V89.9Confident72Confident13 Ų1389 Ų898%0.07949%0.485CS..EExtended strand (participates in β ladder)trans-107.5116.8-173-1710000111.6A348 A350 V397 S402 L422 G426A348-V424 CarbonylContact O-C 3.47Å; A348-V424 WeakPolarHBondContact O-CA 3.45Å; A350-V424 HydrophobicContact CB-CG1 4.41Å; V397-V424 HydrophobicContact CG1-CB 4.33Å; V397-V424 HydrophobicContact CG1-CG1 3.91Å; V397-V424 HydrophobicContact CG1-CG2 3.42Å; V397-V424 VanDerWaalsContact CG1-CG2 3.42Å; S402-V424 WeakPolarHBondContact OG-CB 3.01Å; S402-V424 WeakPolarHBondContact OG-CG2 3.03Å; S402-V424 PolarHBondContact OG-N 3Å; S402-V424 VanDerWaalsContact OG-N 3.11Å; L422-V424 HydrophobicContact CD1-CG2 4.39Å; L422-V424 HydrophobicContact CD2-CG2 4.39Å; L422-V424 HydrophobicContact CG-CG2 3.97Å; V424-G426 PolarHBondContact O-N 2.97Å
425Q86.3Confident69.4Low120 Ų12095.1 Ų95.156%0.56151%0.509SS*.EExtended strand (participates in β ladder)trans-82.4110.1-179.4-63.6-177.6-3.100111.2A348 A350A348-Q425 PolarHBondContact O-N 2.72Å; A350-Q425 PolarHBondContact N-O 2.81Å
426G72.8Confident67Low40 Ų4097.2 Ų97.241%0.41252%0.521SS..  trans-78.4156.3170.300000112.8V424 T428V424-G426 PolarHBondContact O-N 2.97Å; G426-T428 PolarHBondContact O-N 2.82Å
427R59.7Low64.6Low250 Ų250101.9 Ų101.994%0.94355%0.546SS*.  trans-74.7117.6170.2-68.7-175.2177.4-162.3-0.7109.8S429R427-S429 PolarHBondContact O-N 2.9Å
428T47.1Very low62.2Low117 Ų117105.3 Ų105.372%0.71857%0.567SS**  trans-77.4103.5175.151.20000111.4G426 W430G426-T428 PolarHBondContact O-N 2.82Å; T428-W430 PolarHBondContact O-N 3.23Å
429S44.3Very low59.7Low118 Ų118113.6 Ų113.683%0.82561%0.606SS**  trans-8291.616855.40000110.6R427R427-S429 PolarHBondContact O-N 2.9Å
430W35.2Very low57Low229 Ų229117.1 Ų117.187%0.86763%0.626SS**  trans-76.7127.1168.4-81.788.3000110.4T428T428-W430 PolarHBondContact O-N 3.23Å
431Q36.1Very low54.6Low177 Ų177122.5 Ų122.583%0.82766%0.662SS**  trans-129.5120.3163-76.2-172.4-26.200108.6
432P44.3Very low51.7Low130 Ų130125.2 Ų125.284%0.84469%0.688SS**PPolyproline II helixtrans-79.5121.317331-31.1000110
433Q38.7Very low48.9Very low186 Ų186130.8 Ų130.887%0.86973%0.726SS**PPolyproline II helixtrans-84.2128168.2-73.5-174.4-24.300110.1
434S39.8Very low46.1Very low120 Ų120137.4 Ų137.484%0.83975%0.754SS**PPolyproline II helixtrans-80.7134.1169.944.60000110.6
435L38.5Very low43.5Very low162 Ų162142.1 Ų142.185%0.84879%0.787SS**  trans-109.7143.9172.1-77.9167.8000110.6
436P43.9Very low40.9Very low118 Ų118139.9 Ų139.977%0.76680%0.796SS**PPolyproline II helixtrans-82.6161.7-174.3-9.228.1000113.8
437V41.3Very low39Very low127 Ų127146.1 Ų146.177%0.7782%0.819SS**PPolyproline II helixtrans-93131.7175.3177.70000111.1
438P43Very low37.8Very low114 Ų114138.8 Ų138.874%0.7481%0.806SS**PPolyproline II helixtrans-99.7159.3158.4-5.125.9000112.6
439H35.4Very low37.5Very low180 Ų180139.6 Ų139.683%0.83381%0.81SS**PPolyproline II helixtrans-90159.6-172.6-66.2-103.4000114.3
440H34.6Very low37.9Very low184 Ų184139.4 Ų139.485%0.85281%0.806SS**PPolyproline II helixtrans-80.1160.2171.2-7342.5000112.7
441P40.3Very low38Very low121 Ų121135.5 Ų135.579%0.78680%0.802SS**  trans-113.4158.6132.6-827.8000114.2
442A33.2Very low38Very low91 Ų91133.7 Ų133.775%0.75280%0.797SS**  trans-68.8145.7167.900000111.2
443C31.5Very low37.5Very low119 Ų119135.2 Ų135.280%0.80479%0.793SS**  cis91.115245.5-73.70000114.8
444L32.6Very low37.9Very low170 Ų170131.7 Ų131.789%0.8979%0.786SS**  trans87.5140.4-173.7-56172.1000116.2
445S35.5Very low37.9Very low112 Ų112132.5 Ų132.578%0.78379%0.786SS**  cis-170.7143.1-27.843.70000111.1
446G31.6Very low38.4Very low72 Ų72130.5 Ų130.574%0.74278%0.783SS**  trans168.3101.9169.800000118
447L33.1Very low38Very low172 Ų172136.2 Ų136.290%0.90179%0.789SS**  trans21.1133.5135.1-65.5162.4000119.3
448S34.8Very low37.6Very low95 Ų95135.8 Ų135.866%0.66479%0.792SS**  cis-161.6142.612.2-770000114.6
449V39.1Very low37.2Very low134 Ų134136.7 Ų136.781%0.81280%0.795SS**  24.8137.4127.3-177.60000119.2
450P53.2Low37Very low114 Ų114139.7 Ų139.774%0.7480%0.799SS**  cis-125.3-138.217.730.7-5.3000113.1
451L36.8Very low37Very low148 Ų148138.5 Ų138.578%0.77580%0.798SS**  cis-154.4-147.55.4-137.8177.9000112
452L37.4Very low36.6Very low138 Ų138139.2 Ų139.272%0.72381%0.805SS**  trans-139.7174.3-160.1-9680.9000112.7
453Q32.7Very low36.4Very low163 Ų163142.8 Ų142.876%0.76281%0.805SS**  cis167.6-171-28.5-108.3-171.45.700107.8
454P48.1Very low36.3Very low111 Ų111144.5 Ų144.572%0.72181%0.806SS**  cis-128.9-176.2-16.827.1-3.3000114.6
455T39.4Very low36Very low137 Ų137140.8 Ų140.884%0.8479%0.794SS**  trans-149.1147.3175.860.40000116
456P48.4Very low35.6Very low121 Ų121142 Ų14279%0.78679%0.791SS**  trans-140.1101.6175.838.1-18.7000119.2
457R36.2Very low35.4Very low237 Ų237149.2 Ų149.289%0.89480%0.796SS**  29.5146.2128-55.3171171.7-179.9-3.9123.8
458S32.6Very low35.5Very low119 Ų119145.4 Ų145.483%0.83279%0.789SS**  164.5173.7111.6-73.20000115.9
459V34.6Very low35.9Very low133 Ų133147.2 Ų147.281%0.80680%0.799SS**  trans-151146.1-164177.10000113.1
460R32.5Very low35.5Very low243 Ų243148.5 Ų148.592%0.91780%0.8SS**  trans174.6169.9137.8-97.6168.9-171.1-153.91.8116
461L33Very low35.8Very low158 Ų158148.3 Ų148.383%0.82780%0.799SS**  trans-100.7163.4-174.9-62.179.2000113.8
462C32Very low36.2Very low137 Ų137146.9 Ų146.993%0.92680%0.799SS**  trans-158.9-172.3134.4-128.40000113.1
463H29.7Very low37Very low165 Ų165145.4 Ų145.476%0.76480%0.797SS**  trans-132.7168.3-151.5-125.1-100.2000114.9
464L28.4Very low37Very low156 Ų156146.9 Ų146.982%0.81780%0.801SS**  trans74.5163.9161.4-60.1142.6000118.9
465S26.4Very low36.1Very low92 Ų92146.1 Ų146.164%0.64381%0.805SS**  cis-173.2158.9-46.5-144.40000113.4
466L28.5Very low35.7Very low138 Ų138145.5 Ų145.572%0.72380%0.801SS**  trans70.1121.4152.4-69.1160.1000124
467R26.1Very low35.5Very low223 Ų223144.7 Ų144.784%0.84280%0.796SS**  trans69.3110.8134.3-70.8179.1176.4173.8-1.1123.8
468A36Very low35.3Very low92 Ų92139.1 Ų139.176%0.7679%0.788SS**  36.5139111.200000121.1
469P42.1Very low35.2Very low133 Ų133137.8 Ų137.886%0.86478%0.778SS**  -145.9-171.785.541.4-24.8000117.6
470L31.2Very low34.9Very low161 Ų161137.1 Ų137.184%0.84378%0.779SS**  trans-82.8-172.4177.8-67.2161.8000113.3
471P59.4Low34.8Very low110 Ų110132.8 Ų132.871%0.71477%0.773SS**  cis-120.7-154.6-47.634.5-14.1000110.1
472P45.2Very low34.6Very low118 Ų118129.6 Ų129.677%0.76676%0.763SS**  -149.4-14477.646.5-23.4000113.1
473P55Low34.5Very low106 Ų106132.1 Ų132.169%0.68876%0.762SS**  -125.9176.3-128.822.45.5000118.5
474F32.8Very low34.6Very low194 Ų194128.3 Ų128.385%0.85176%0.759SS**  trans6.7142.6152.7-64.3-87.4000119.9
475A29.4Very low34.6Very low96 Ų96127 Ų12779%0.79376%0.761SS**  cis-154.6171.349.200000117
476T31.2Very low34.6Very low124 Ų124130.8 Ų130.876%0.76177%0.773SS**  trans-98.1-179.3-175.540.40000111
477P43.9Very low34.6Very low104 Ų104130 Ų13068%0.67578%0.78SS**  cis-151.1171.926.644.4-22.5000121.9
478T31.7Very low34.7Very low119 Ų119124.5 Ų124.573%0.7378%0.776SS**  trans54103.9149.8480000118.8
479S29.8Very low34.4Very low91 Ų91125.6 Ų125.664%0.63678%0.777SS**  78.3108.767.376.80000113.6
480C28.6Very low33.8Very low120 Ų120126.1 Ų126.181%0.81178%0.778SS**  81.3148.295.6-67.30000113.5
481L29.7Very low33.6Very low152 Ų152126.3 Ų126.380%0.79678%0.779SS**  cis-154.2169.219-135.5155.5000110.4
482S29.7Very low32Very low90 Ų90125.8 Ų125.863%0.62978%0.778SS**  trans-68.5173.5157.2550000110
483Q30.3Very low31.2Very low190 Ų190128.6 Ų128.689%0.88879%0.786SS**  cis-166.1171.143.5-155170.416.300110.6
484A30.2Very low29.9Very low86 Ų86131.5 Ų131.571%0.71179%0.79SS**  trans-103.2141.3-169.500000115.4
485C29.4Very low29.7Very low128 Ų128130.5 Ų130.587%0.86579%0.793SS**  trans46.5124.7139.4-58.90000122
486L27Very low29.8Very low171 Ų171130.3 Ų130.390%0.89579%0.786SS**  trans-103.6140.2147.6-81.8165.9000109.8
487S28.9Very low30.4Very low122 Ų122130.5 Ų130.585%0.85379%0.789SS**  trans171.5140.5136.641.80000112.2
488S27.9Very low29.9Very low108 Ų108135.4 Ų135.476%0.75580%0.795SS**  trans-160.1125.6155.4-173.40000111.2
489S29.8Very low30.4Very low114 Ų114135.7 Ų135.780%0.79780%0.799SS**  trans53.8108.9144.5-45.50000120.3
490T28.2Very low30.6Very low144 Ų144138.2 Ų138.288%0.88381%0.805SS**  trans-94.7135.4157.836.30000111.2
491L26.9Very low30.7Very low166 Ų166143.8 Ų143.887%0.86981%0.809SS**  trans-164.1118.6165.9-134.6170.9000111
492S27.1Very low30.7Very low99 Ų99139.9 Ų139.969%0.69281%0.805SS**  trans158.9123135.5-74.50000115.1
493L28.1Very low31.9Very low176 Ų176142.2 Ų142.292%0.92182%0.818SS**  trans68.6139.5136.5-67.2167.5000122.9
494H27.6Very low31.9Very low168 Ų168136.7 Ų136.778%0.77881%0.812SS**  trans-98.1147.2179-137.6-86.4000109.6
495L28.6Very low32Very low173 Ų173140.6 Ų140.691%0.90682%0.821SS**  trans-151.4139.9158.8-106.5173000110.5
496S30.3Very low32.1Very low92 Ų92139.5 Ų139.564%0.64382%0.821SS**  trans-106.8169.8176.9-53.20000110.7
497P45.3Very low32.4Very low127 Ų127137.7 Ų137.783%0.82582%0.816SS**  -138.9168.3122.933.6-19.5000115.3
498Y32.4Very low32.4Very low207 Ų207141 Ų14181%0.81282%0.819SS**  trans-74.8169.8178.6-83.1-97.6000114.1
499P42.4Very low32.5Very low126 Ų126147.1 Ų147.182%0.81883%0.825SS**  -124.9169.3124.337.5-32.9000113.7
500L34Very low33.5Very low144 Ų144147 Ų14775%0.75482%0.821SS**  trans-142.7147.3-178-94172.5000112.3
501R31.1Very low34.4Very low237 Ų237146 Ų14689%0.89482%0.818SS**  trans67.5134162.4-65.8-179.2177.2-169.8-1.2119.9
502G29.7Very low34.7Very low69 Ų69144.3 Ų144.371%0.71181%0.814SS**  trans-104.1-144.9145.400000109.2
503P53.9Low34.9Very low140 Ų140146.7 Ų146.791%0.90983%0.825SS**  cis-127.8-164.2-5.242.9-26.9000112.3
504G31.3Very low35.1Very low73 Ų73147.9 Ų147.975%0.75383%0.826SS**  trans154.2133.916000000116.3
505D31.4Very low35.2Very low169 Ų169144 Ų14490%0.90483%0.831SS**  trans-87.5154.3177.6-61.1-85.4000114.1
506A31.3Very low35.4Very low104 Ų104146.3 Ų146.386%0.8683%0.828SS**  trans-155.1134.5152.500000111.6
507V33.3Very low35.4Very low133 Ų133146.7 Ų146.781%0.80684%0.836SS**  trans-111.4133.8176.3171.50000109.5
508Q29.3Very low34.7Very low193 Ų193147.9 Ų147.990%0.90283%0.831SS**  trans-176.8152.9139-102.6160.339.400115
509R29.8Very low34.6Very low235 Ų235150.3 Ų150.389%0.88784%0.839SS**  trans-138.6170.8159.5-69.5-177.3177.1-178.6-0.1106.3
510P50.8Low34Very low111 Ų111147.2 Ų147.272%0.72183%0.83SS**  -112.7-153.3-53.532-13.3000108.4
511P47.7Very low33.9Very low125 Ų125148.5 Ų148.581%0.81284%0.837SS**  -142.5-17996.538.4-23.9000115
512T32.6Very low33.7Very low129 Ų129140.2 Ų140.279%0.79183%0.825SS**  trans-86.1153.7-175.3510000114.8
513T32Very low33.8Very low149 Ų149146 Ų14691%0.91483%0.831SS**  trans-141.7157.4144.122.70000111.1
514Q31.9Very low32.5Very low202 Ų202143.1 Ų143.194%0.94483%0.827SS**  trans-94.6154-175.5-63.8170-19.300111.7
515G30.9Very low32.6Very low86 Ų86150.6 Ų150.689%0.88783%0.832SS**  trans-156.187.5172.800000111.5
516R31.4Very low32.6Very low222 Ų222149.7 Ų149.784%0.83883%0.833SS**  trans-108.5117.7-176.5-178.9-176-178.9-178.80.9110.2
517A31.1Very low32.4Very low99 Ų99148.4 Ų148.482%0.81883%0.83SS**  trans-137.3128.3169.600000110.3
518Q30.1Very low32.3Very low153 Ų153149 Ų14972%0.71583%0.834SS**  trans-117.8136.7169.9-76.5176.6-100.800108.6
519W30.3Very low32.4Very low257 Ų257151.5 Ų151.597%0.97384%0.835SS**  trans-141.7133.4153.9-81.1100.8000109.1
520G29.3Very low32.4Very low62 Ų62144 Ų14464%0.63983%0.831SS**  trans-93.7-163.3157.500000109.5
521L32.2Very low31.6Very low170 Ų170147.4 Ų147.489%0.8984%0.838SS**  cis-167.4147.1-6.5-124.2171.4000106.4
522G27.6Very low30.9Very low64 Ų64147.4 Ų147.466%0.6684%0.838SS**  trans148.688176.100000113
523F31.4Very low30.6Very low191 Ų191150.2 Ų150.284%0.83884%0.844SS**  73.3114.982.8-87.1-75.2000115.9
524G27Very low30.4Very low79 Ų79153 Ų15381%0.81484%0.843SS**  trans-173.387.9170.500000110.6
525R32.4Very low30.3Very low229 Ų229149.9 Ų149.986%0.86484%0.838SS**  trans-89.6127.6178.1-80.1-179.8171.1176.6-2.7111
526T31.3Very low30.1Very low151 Ų151149.2 Ų149.293%0.92683%0.831SS**  trans-139152.6134.745.90000108.5
527G28.8Very low30.1Very low77 Ų77146.7 Ų146.779%0.79483%0.833SS**  trans-148.7135.6179.400000110.7
528V31.5Very low29.9Very low146 Ų146153.8 Ų153.889%0.88584%0.839SS**  trans-132.3139.4175.9-179.10000107.6
529R31Very low29.9Very low244 Ų244150.2 Ų150.292%0.92184%0.843SS**  trans-84136.1176.8-60.4179.6-176-175.21.1109.5
530G29.3Very low29.8Very low79 Ų79143.6 Ų143.681%0.81484%0.836SS**  trans-110.4128164.700000110.1
531E32.8Very low30Very low182 Ų182148.7 Ų148.785%0.8585%0.848SS**PPolyproline II helixtrans-84.7152.4173-65.5-168.2139.500111.5M533E531-M533 PolarHBondContact O-N 3.48Å
532P33.7Very low30.3Very low125 Ų125146.7 Ų146.781%0.81285%0.845SS**PPolyproline II helixtrans-75.5119.1174.730.2-33.4000111.5K534P532-K534 PolarHBondContact O-N 3.06Å
533M26.9Very low30.3Very low188 Ų188147.2 Ų147.293%0.92685%0.851SS**PPolyproline II helixtrans-65125.3174.4-74-172.4174.900112E531E531-M533 PolarHBondContact O-N 3.48Å
534K28.3Very low30.3Very low207 Ų207145 Ų14590%0.985%0.853SS**PPolyproline II helixtrans-81.1116.5162.2-76.9-179.4176.5175.20109.8P532 G536P532-K534 PolarHBondContact O-N 3.06Å; K534-G536 PolarHBondContact O-N 3.25Å
535V29Very low30.5Very low136 Ų136152.9 Ų152.982%0.82486%0.858SS**  trans-77113.1168.4179.30000109.2
536G27.4Very low30.3Very low73 Ų73145.2 Ų145.275%0.75385%0.851SS**  trans-94111.9175.600000111.9K534 R538K534-G536 PolarHBondContact O-N 3.25Å; G536-R538 PolarHBondContact O-N 3.36Å
537L29.9Very low31.1Very low169 Ų169144.1 Ų144.189%0.88585%0.846SS**  trans-79.9111.6173.4-77.7165.2000111
538R27.7Very low31.2Very low248 Ų248145.5 Ų145.594%0.93685%0.85SS**  trans-87.9107.8160.8-80.2-171.6172.2-158.2-0.4109.1G536G536-R538 PolarHBondContact O-N 3.36Å
539G29.7Very low31.1Very low77 Ų77142.4 Ų142.479%0.79485%0.848SS**  trans-96.9116.4168.700000110.9
540S29.2Very low31.2Very low119 Ų119136.5 Ų136.583%0.83284%0.843SS**  trans-87.9135.7174.4-56.70000110.6
541L32.2Very low32Very low169 Ų169138.8 Ų138.889%0.88584%0.844SS**  trans-120.8127.4172.7-78.9170.2000110.7
542P38.3Very low31.8Very low127 Ų127133.7 Ų133.783%0.82584%0.841SS**  trans-78.1140.5162.133.2-31.5000109.7
543G29.3Very low31.5Very low76 Ų76134.5 Ų134.578%0.78485%0.848SS**  trans-102.4158.7-178.600000114
544T31.4Very low31.7Very low144 Ų144129.3 Ų129.388%0.88384%0.842SS**  trans-136.1125.5168.142.70000112.1
545R30.6Very low31.8Very low244 Ų244126.6 Ų126.692%0.92184%0.837SS**  trans5.1131.3159-57.6177.6179.6178.2-1119.3
546G29Very low31.9Very low69 Ų69123.8 Ų123.871%0.71184%0.836SS**  trans-75-164.3150.700000112.3
547P47.8Very low32Very low127 Ų127128.1 Ų128.183%0.82583%0.834SS**  -150.5177.97042.2-24.9000117.3
548A30.4Very low32.1Very low106 Ų106131 Ų13188%0.87683%0.833SS**  trans67.6122.3149.700000121
549G29.2Very low32.7Very low82 Ų82124.7 Ų124.785%0.84583%0.825SS**  trans169.8111167.700000109.5
550S33.1Very low32.7Very low119 Ų119127.3 Ų127.383%0.83283%0.825SS**  trans-129.7-173.6-170.364.10000111.7
551P46.3Very low32.6Very low128 Ų128132.4 Ų132.483%0.83183%0.826SS**  -120.3171.4-97.135.7-19.4000114.7
552G28.8Very low32.3Very low75 Ų75129.7 Ų129.777%0.77382%0.819SS**  trans-148.3145.2172.100000112.1
553C27.6Very low31.8Very low142 Ų142131.1 Ų131.196%0.95982%0.815SS**  trans-100.3160.4-165.9-59.40000114.6
554G29.9Very low31.8Very low78 Ų78139 Ų13980%0.80482%0.821SS**  trans-179.6114.4168.100000112
555D30.9Very low31.8Very low151 Ų151136.5 Ų136.581%0.80782%0.815SS**  trans-86.5158.3-172.8-102.9-71.9000114.6K557D555-K557 IonicContact OD1-NZ 2.7Å
556G30.8Very low32.2Very low77 Ų77130.5 Ų130.579%0.79481%0.808SS**  trans173.196.4171.800000113.5
557K30.8Very low32.7Very low164 Ų164133.1 Ų133.171%0.71381%0.812SS**  trans-114.8130.2-171.4-89.6169.5-178.3138.50114.5D555D555-K557 IonicContact OD1-NZ 2.7Å
558R31.6Very low32.1Very low228 Ų228132.1 Ų132.186%0.8682%0.815SS**  trans69.2164.3153.1-66.8-166.9-120.8-126.88118.1
559P39.2Very low32.1Very low117 Ų117130.7 Ų130.776%0.7681%0.81SS**  cis-129.4166.3-28.831.6-14.3000114.1
560V29.5Very low32.2Very low132 Ų132132 Ų13280%0.881%0.806SS**  trans-80.4143168.8174.20000111
561R27.5Very low32.2Very low226 Ų226134.4 Ų134.485%0.85381%0.808SS**  trans-132.2140.4162.3-104.9-169.6179.5-170.32.5110.7
562C26Very low31.6Very low111 Ų111135.7 Ų135.775%0.7581%0.807SS**  trans-101.4132-179.1-54.70000111.6
563H28.7Very low31.9Very low158 Ų158140.6 Ų140.673%0.73181%0.812SS**  trans-132.2111.9157.9-73-66.4000107.5
564R29.1Very low32.5Very low240 Ų240139.3 Ų139.391%0.90680%0.802SS**  63.3107.293.3-99.4-171176.3176.2-0.2112.9
565A31.8Very low33.1Very low93 Ų93141.6 Ų141.677%0.76980%0.803SS**PPolyproline II helixtrans-74.4151.8168.900000111.5
566P37.3Very low33.4Very low118 Ų118146.3 Ų146.377%0.76681%0.809SS**PPolyproline II helixtrans-74.8160.1169.832.6-34.9000111.9
567P41.1Very low33.6Very low124 Ų124145.6 Ų145.681%0.80580%0.802SS**PPolyproline II helixtrans-79166-177.533.7-36.8000113.4G569P567-G569 PolarHBondContact O-N 2.89Å
568A34.9Very low34.2Very low106 Ų106144.1 Ų144.188%0.87681%0.809SS**PPolyproline II helixtrans-67.2125.6173.200000111.6
569G30.6Very low34.6Very low75 Ų75138.9 Ų138.977%0.77381%0.808SS**PPolyproline II helixtrans-80.5148.5171.800000112.2P567P567-G569 PolarHBondContact O-N 2.89Å
570S31.5Very low34.4Very low109 Ų109142.1 Ų142.176%0.76281%0.813SS**PPolyproline II helixtrans-70142.1179400000112.8L572S570-L572 PolarHBondContact O-N 3.15Å
571I32.7Very low35Very low171 Ų171141.5 Ų141.588%0.87781%0.811SS**  trans-76.8105.5172.3-59.7173.8000108.5
572L33.1Very low35.4Very low155 Ų155139.2 Ų139.281%0.81282%0.815SS**PPolyproline II helixtrans-95.7135.4164.3-78.1166000109.3S570S570-L572 PolarHBondContact O-N 3.15Å
573M35.5Very low36Very low177 Ų177141.7 Ų141.787%0.87282%0.82SS**PPolyproline II helixtrans-75143.9175.2-71.2-169.5173.700111.3
574P40Very low36.9Very low115 Ų115139.4 Ų139.475%0.74782%0.819SS**PPolyproline II helixtrans-69.7149.2170.430.6-34.6000111.1
575P42.2Very low37.5Very low127 Ų127134.1 Ų134.183%0.82582%0.816SS**PPolyproline II helixtrans-71.8159.3177.531-35.6000112.2G577P575-G577 PolarHBondContact O-N 2.92Å
576R38.3Very low37.7Very low249 Ų249137.7 Ų137.794%0.9482%0.821SS**PPolyproline II helixtrans-66.8128.6174.8-69.2178.3174.5173.7-2.8111
577G34.1Very low38Very low63 Ų63137.9 Ų137.965%0.64982%0.822SS**PPolyproline II helixtrans-73.2165.5163.500000112.4P575P575-G577 PolarHBondContact O-N 2.92Å
578P43Very low37.6Very low132 Ų132137.5 Ų137.586%0.85782%0.823SS**PPolyproline II helixtrans-76.6166.3-174.932.1-36.2000113.8
579S39.5Very low37.5Very low119 Ų119139.3 Ų139.383%0.83282%0.823SS**PPolyproline II helixtrans-70.4137.5-178.449.70000114.3
580E35Very low37.7Very low185 Ų185146.6 Ų146.686%0.86483%0.827SS**PPolyproline II helixtrans-90.7139.6171.7-166.4169.5-145.200110.8
581P42.1Very low37.7Very low118 Ų118150 Ų15077%0.76683%0.831SS**PPolyproline II helixtrans-83.5144.7-177.132.6-34.7000113.3
582L37.3Very low37.7Very low178 Ų178151.1 Ų151.193%0.93283%0.83SS**PPolyproline II helixtrans-73.4137.1178.6-70.2159.2000112.3
583L38.3Very low37.8Very low164 Ų164149.6 Ų149.686%0.85983%0.827SS**PPolyproline II helixtrans-102.8147.1166.9-80.7167.4000111
584P46.5Very low37.7Very low109 Ų109149.1 Ų149.171%0.70882%0.822SS**PPolyproline II helixtrans-81.1160.8-17533.5-36.4000113.6
585P43.4Very low37.6Very low129 Ų129154.8 Ų154.884%0.83884%0.844SS**PPolyproline II helixtrans-74.4148.7-179.330.8-35.9000113.6
586L36.3Very low37.3Very low168 Ų168156.2 Ų156.288%0.8885%0.845SS**PPolyproline II helixtrans-80.9148.4172.9-73.5165.6000111.8
587P42.3Very low37.3Very low123 Ų123151.3 Ų151.380%0.79984%0.84SS**PPolyproline II helixtrans-80.2161.9-176.733.3-36.5000113.6
588S32Very low37.5Very low116 Ų116156.2 Ų156.281%0.81185%0.851SS**PPolyproline II helixtrans-76.4140.5-179.4490000113.8
589T34.7Very low37.1Very low144 Ų144157.6 Ų157.688%0.88385%0.851SS**PPolyproline II helixtrans-70.4125.4169.226.40000111
590R34.8Very low37Very low227 Ų227160 Ų16086%0.85785%0.852SS**PPolyproline II helixtrans-88.9137.8162.5-78-174.6171.4-173.1-2.4109.7
591H31.3Very low37.1Very low182 Ų182158.3 Ų158.384%0.84385%0.851SS**PPolyproline II helixtrans-65.9141.7163.4-69.9-69.6000110.3
592F32.5Very low36.8Very low194 Ų194161.2 Ų161.285%0.85186%0.857SS**  trans-117.7128152.8-104.3-87.5000108.1
593V34.8Very low36.7Very low123 Ų123159.9 Ų159.975%0.74585%0.851SS**  trans-96.2138.9166172.70000106.5
594H33.4Very low36.6Very low166 Ų166159.6 Ų159.677%0.76985%0.851SS**  trans-154.2161.9144.6-111.6-73.4000111.2
595L36.9Very low35.7Very low234 Ų234164.2 Ų164.2100%1.22586%0.864SS**  trans-56.30-178.6-67.6145.2000113.3

Retrieved 595 of 595 residues in 185.6 ms (Link to these results)