A0A077Z4X8_TRITR Loading...

Fibronectin type-III domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z4X8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 409 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.8Very low57.2Low238 Ų238129.2 Ų129.2100%1.17268%0.682SS**  0110.70-82.9172.717900108.4
2N35.5Very low60Low168 Ų168123 Ų12390%0.89865%0.653SS**  trans-149109.1147.6-98.3-15.7000105.5
3Q36Very low62.5Low192 Ų192114.8 Ų114.890%0.89761%0.609SS**  trans-68.8148.8-177.4-80.2172.1-24.900110.6S5Q3-S5 PolarHBondContact O-N 2.63Å
4W36.4Very low64.5Low241 Ų241116.9 Ų116.991%0.91361%0.611SS**  trans-62.5123.6-177.9-68.233.7000111.4
5S44.3Very low66.2Low104 Ų104110.6 Ų110.673%0.72758%0.583SS**  trans-89.2102.2140.9590000106.7Q3 T7Q3-S5 PolarHBondContact O-N 2.63Å; S5-T7 PolarHBondContact O-N 2.6Å
6A49.1Very low67.3Low77 Ų77109.2 Ų109.264%0.63658%0.579SS**  trans-67.987.317100000108N8A6-N8 PolarHBondContact O-N 2.76Å; A6-N8 VanDerWaalsContact O-N 3.16Å
7T57.8Low68.2Low100 Ų100103.9 Ų103.961%0.61355%0.552SS**  trans-59116.3164.616.90000106.8S5 A9S5-T7 PolarHBondContact O-N 2.6Å; T7-A9 PolarHBondContact O-N 3.26Å
8N78.3Confident68.9Low136 Ų136102.6 Ų102.673%0.72755%0.545SS*.  trans-56.1104.2179.7-90.1-18.1000109.4A6 Y10 N30A6-N8 PolarHBondContact O-N 2.76Å; A6-N8 VanDerWaalsContact O-N 3.16Å; N8-Y10 WeakPolarHBondContact O-CD1 3.14Å; N8-Y10 PolarHBondContact O-N 3.2Å; N8-N30 PolarHBondContact O-ND2 2.94Å
9A82.8Confident69.4Low61 Ų61100.6 Ų100.650%0.50453%0.534SS..  trans-76127.4-179.300000108.9T7 N30 I86T7-A9 PolarHBondContact O-N 3.26Å; A9-N30 CarbonylContact C-O 3.5Å; A9-N30 WeakPolarHBondContact CA-O 3.49Å; A9-N30 WeakPolarHBondContact CB-O 3.37Å; A9-I86 HydrophobicContact CB-CD1 3.78Å
10Y88Confident69.9Low101 Ų10196.9 Ų96.940%0.39652%0.517SS..EExtended strand (participates in β ladder)trans-144.4161.5-17968.9-100.9000112.1N8 T12 S29 N30N8-Y10 WeakPolarHBondContact O-CD1 3.14Å; N8-Y10 PolarHBondContact O-N 3.2Å; Y10-T12 HydrophobicContact CD2-CG2 3.87Å; Y10-T12 HydrophobicContact CE2-CG2 4.01Å; Y10-S29 CarbonylContact O-C 3.53Å; Y10-S29 WeakPolarHBondContact O-CA 3.42Å; Y10-S29 WeakPolarHBondContact O-CB 3.46Å; Y10-N30 HydrophobicContact CD1-CB 3.54Å; Y10-N30 HydrophobicContact CE1-CB 3.27Å; Y10-N30 HydrophobicContact CE2-CB 4.35Å; Y10-N30 HydrophobicContact CG-CB 4.2Å; Y10-N30 PolarHBondContact N-O 3.42Å; Y10-N30 PolarHBondContact O-N 2.87Å
11L90.6Very high70.6Confident3 Ų395.2 Ų95.22%0.01651%0.51CS..EExtended strand (participates in β ladder)trans-131.9129.7165.2178.365.2000106.7W27 T28 I36 A75 T77 I86 R88L11-W27 HydrophobicContact CD1-CB 4.17Å; L11-T28 CarbonylContact C-O 3.49Å; L11-T28 WeakPolarHBondContact CA-O 3.19Å; L11-I36 HydrophobicContact CD1-CD1 4.18Å; L11-A75 HydrophobicContact CD2-CB 3.99Å; L11-A75 WeakPolarHBondContact CD2-O 3.22Å; L11-T77 HydrophobicContact CD1-CG2 4.42Å; L11-T77 HydrophobicContact CD2-CG2 4.4Å; L11-I86 HydrophobicContact CB-CB 4.18Å; L11-I86 HydrophobicContact CB-CG2 3.63Å; L11-I86 WeakPolarHBondContact CD2-O 3.28Å; L11-R88 HydrophobicContact CB-CG 3.95Å; L11-R88 HydrophobicContact CD2-CB 4.11Å; L11-R88 HydrophobicContact CD2-CG 4.03Å; L11-R88 HydrophobicContact CG-CB 4.37Å; L11-R88 HydrophobicContact CG-CG 3.94Å; L11-R88 VanDerWaalsContact O-CG 3.24Å; L11-R88 WeakPolarHBondContact O-CG 3.43Å; L11-R88 PolarHBondContact O-NE 2.78Å
12T90.4Very high73.3Confident55 Ų5584.2 Ų84.234%0.33746%0.457SS..EExtended strand (participates in β ladder)trans-107.8146.5165.679.30000108.5Y10 W27 T28Y10-T12 HydrophobicContact CD2-CG2 3.87Å; Y10-T12 HydrophobicContact CE2-CG2 4.01Å; T12-W27 WeakPolarHBondContact O-CA 3.33Å; T12-W27 VanDerWaalsContact O-CB 3.31Å; T12-W27 WeakPolarHBondContact O-CB 3.47Å; T12-T28 PolarHBondContact N-O 3.46Å; T12-T28 PolarHBondContact O-N 2.56Å; T12-T28 VanDerWaalsContact O-N 3.16Å; T12-T28 PolarHBondContact OG1-N 2.91Å; T12-T28 PolarHBondContact OG1-OG1 2.72Å
13L92.8Very high75.9Confident16 Ų1676.2 Ų76.28%0.08441%0.414CS..EExtended strand (participates in β ladder)trans-137.1128.1-179.5-177.164.1000107.4V25 W27 I73 A75 R88 V90L13-V25 HydrophobicContact CD1-CG1 3.46Å; L13-V25 VanDerWaalsContact CD1-CG1 3.46Å; L13-W27 HydrophobicContact CD1-CB 4.38Å; L13-I73 HydrophobicContact CD2-CG2 4.15Å; L13-A75 HydrophobicContact CD1-CB 3.81Å; L13-A75 HydrophobicContact CD2-CB 3.92Å; L13-A75 HydrophobicContact CG-CB 4.4Å; L13-R88 HydrophobicContact CB-CB 4.02Å; L13-R88 HydrophobicContact CD2-CB 4.28Å; L13-V90 HydrophobicContact CB-CG1 4.33Å; L13-V90 HydrophobicContact CD2-CG1 4.24Å; L13-V90 HydrophobicContact CD2-CG2 3.88Å; L13-V90 HydrophobicContact CG-CG1 4.24Å; L13-V90 HydrophobicContact CG-CG2 4.01Å
14K89.8Confident78.5Confident144 Ų14471.4 Ų71.463%0.62639%0.39SS*.EExtended strand (participates in β ladder)trans-129.1140.2175.1-67.3-177.3-179.31790108.2V25 D26K14-V25 CarbonylContact O-C 3.55Å; K14-V25 WeakPolarHBondContact O-CA 3.27Å; K14-D26 PolarHBondContact N-O 3.34Å; K14-D26 PolarHBondContact O-N 2.9Å
15A90.1Very high81.2Confident23 Ų2359.9 Ų59.919%0.1935%0.347CS..EExtended strand (participates in β ladder)trans-133.2135.9174.700000109.3K24 I73 V90 V92A15-K24 CarbonylContact C-O 3.49Å; A15-K24 VanDerWaalsContact CA-O 3.29Å; A15-K24 WeakPolarHBondContact CA-O 3.12Å; A15-I73 HydrophobicContact CB-CD1 3.29Å; A15-V90 HydrophobicContact CB-CG2 3.91Å; A15-V92 HydrophobicContact CB-CG1 3.55Å
16V84.7Confident83.6Confident88 Ų8857.8 Ų57.853%0.53333%0.327SS..EExtended strand (participates in β ladder)trans-131.2126.5178.9-178.40000107.7I18 L23 K24V16-I18 PolarHBondContact O-N 2.89Å; V16-L23 CarbonylContact O-C 3.57Å; V16-L23 WeakPolarHBondContact O-CA 3.23Å; V16-K24 PolarHBondContact N-O 3.38Å; V16-K24 PolarHBondContact O-N 2.75Å
17V82.2Confident85.6Confident19 Ų1954.2 Ų54.212%0.11530%0.297CS..EExtended strand (participates in β ladder)trans-70.6128.7174.1-179.70000108.5N19 V92 Q93 F95V17-N19 WeakPolarHBondContact CG1-O 3.45Å; V17-V92 HydrophobicContact CG2-CB 4.23Å; V17-V92 HydrophobicContact CG2-CG2 4.43Å; V17-Q93 WeakPolarHBondContact CG2-O 2.97Å; V17-F95 HydrophobicContact CB-CD1 4.32Å; V17-F95 HydrophobicContact CB-CE1 3.69Å; V17-F95 HydrophobicContact CB-CE2 4.3Å; V17-F95 HydrophobicContact CB-CZ 3.67Å; V17-F95 HydrophobicContact CG1-CD1 3.77Å; V17-F95 HydrophobicContact CG1-CD2 3.86Å; V17-F95 HydrophobicContact CG1-CE1 3.56Å; V17-F95 HydrophobicContact CG1-CE2 3.68Å; V17-F95 HydrophobicContact CG1-CG 3.87Å; V17-F95 HydrophobicContact CG1-CZ 3.52Å; V17-F95 WeakPolarHBondContact O-CZ 3.48Å
18I80.7Confident87.3Confident81 Ų8151.8 Ų51.842%0.41528%0.282SS..EExtended strand (participates in β ladder)trans-88.5-45.8-179.6-55.4175.7000109.7V16 A22 K24 V61 F95V16-I18 PolarHBondContact O-N 2.89Å; I18-A22 HydrophobicContact CB-CB 4.26Å; I18-A22 HydrophobicContact CD1-CB 4.34Å; I18-A22 PolarHBondContact N-O 3.09Å; I18-K24 HydrophobicContact CD1-CB 3.91Å; I18-K24 HydrophobicContact CG1-CB 3.93Å; I18-V61 HydrophobicContact CD1-CB 4.47Å; I18-V61 HydrophobicContact CD1-CG1 3.66Å; I18-V61 HydrophobicContact CD1-CG2 4.02Å; I18-F95 WeakPolarHBondContact O-CE2 3.34Å
19N77.8Confident87.8Confident64 Ų6445.8 Ų45.834%0.34225%0.251SS..EExtended strand (participates in β ladder)trans-155.5-172.6177.560.539.8000109.5V17 T21 A22V17-N19 WeakPolarHBondContact CG1-O 3.45Å; N19-T21 PolarHBondContact O-N 3.08Å; N19-T21 VanDerWaalsContact O-N 3.1Å; N19-T21 WeakPolarHBondContact OD1-CA 3.48Å; N19-T21 PolarHBondContact OD1-N 2.96Å; N19-T21 PolarHBondContact OD1-OG1 3.28Å; N19-A22 PolarHBondContact N-O 3.28Å; N19-A22 WeakPolarHBondContact OD1-CB 3.26Å; N19-A22 PolarHBondContact OD1-N 3.09Å
20S78.9Confident87.9Confident27 Ų2745.3 Ų45.319%0.18924%0.24CC..THydrogen-bonded Turntrans-60.7-17.5179.455.80000114.6K66 P67 F95S20-K66 CarbonylContact O-C 3.41Å; S20-P67 VanDerWaalsContact O-CA 3.3Å; S20-P67 WeakPolarHBondContact O-CA 3.34Å; S20-F95 WeakPolarHBondContact CA-O 3.44Å; S20-F95 WeakPolarHBondContact CB-O 3.41Å
21T84.9Confident87.8Confident62 Ų6244.3 Ų44.338%0.3825%0.246SC..THydrogen-bonded Turntrans-128.410.5-174.561.80000114.6N19 T63 N64 I65 P67N19-T21 PolarHBondContact O-N 3.08Å; N19-T21 VanDerWaalsContact O-N 3.1Å; N19-T21 WeakPolarHBondContact OD1-CA 3.48Å; N19-T21 PolarHBondContact OD1-N 2.96Å; N19-T21 PolarHBondContact OD1-OG1 3.28Å; T21-T63 CarbonylContact O-C 3.51Å; T21-T63 WeakPolarHBondContact O-CA 3.43Å; T21-N64 PolarHBondContact O-N 2.92Å; T21-I65 WeakPolarHBondContact CA-O 3.45Å; T21-I65 WeakPolarHBondContact O-CG1 3.06Å; T21-I65 PolarHBondContact O-N 3.15Å; T21-P67 HydrophobicContact CG2-CG 4.48Å
22A87.7Confident87.5Confident6 Ų649.6 Ų49.65%0.0528%0.278CS..EExtended strand (participates in β ladder)trans-149.3144.1178.400000113.9I18 N19 V61 I62 T63I18-A22 HydrophobicContact CB-CB 4.26Å; I18-A22 HydrophobicContact CD1-CB 4.34Å; I18-A22 PolarHBondContact N-O 3.09Å; N19-A22 PolarHBondContact N-O 3.28Å; N19-A22 WeakPolarHBondContact OD1-CB 3.26Å; N19-A22 PolarHBondContact OD1-N 3.09Å; A22-V61 HydrophobicContact CB-CG1 4.44Å; A22-I62 CarbonylContact C-O 3.52Å; A22-I62 WeakPolarHBondContact CA-O 3.46Å; A22-T63 HydrophobicContact CB-CG2 4.28Å
23L89.9Confident87.3Confident0 Ų047.6 Ų47.60%027%0.267CS..EExtended strand (participates in β ladder)trans-130.9148.8173.163.882.7000110.8V16 V25 V40 V61 I62 I65 I73 V92V16-L23 CarbonylContact O-C 3.57Å; V16-L23 WeakPolarHBondContact O-CA 3.23Å; L23-V25 HydrophobicContact CD1-CG2 3.28Å; L23-V40 HydrophobicContact CD2-CG1 4.46Å; L23-V61 WeakPolarHBondContact O-CA 3.2Å; L23-I62 HydrophobicContact CD1-CB 3.72Å; L23-I62 HydrophobicContact CD1-CG1 3.74Å; L23-I62 HydrophobicContact CG-CB 3.97Å; L23-I62 PolarHBondContact N-O 3.12Å; L23-I62 PolarHBondContact O-N 2.82Å; L23-I65 HydrophobicContact CB-CD1 3.81Å; L23-I65 HydrophobicContact CD2-CD1 3.66Å; L23-I65 HydrophobicContact CD2-CG2 4.27Å; L23-I65 HydrophobicContact CG-CD1 3.76Å; L23-I73 HydrophobicContact CD1-CD1 3.9Å; L23-I73 HydrophobicContact CD2-CD1 4.03Å; L23-V92 HydrophobicContact CD2-CG2 3.9Å
24K91.1Very high87.1Confident91 Ų9155.3 Ų55.340%0.39630%0.303SS..EExtended strand (participates in β ladder)trans-106.1121.3176.4-169.7172.569.3178.50109.2A15 V16 I18 P59 V61A15-K24 CarbonylContact C-O 3.49Å; A15-K24 VanDerWaalsContact CA-O 3.29Å; A15-K24 WeakPolarHBondContact CA-O 3.12Å; V16-K24 PolarHBondContact N-O 3.38Å; V16-K24 PolarHBondContact O-N 2.75Å; I18-K24 HydrophobicContact CD1-CB 3.91Å; I18-K24 HydrophobicContact CG1-CB 3.93Å; K24-P59 HydrophobicContact CD-CB 3.82Å; K24-P59 HydrophobicContact CD-CG 3.93Å; K24-P59 HydrophobicContact CG-CB 3.68Å; K24-P59 HydrophobicContact CG-CG 4.3Å; K24-V61 HydrophobicContact CG-CG2 4.42Å
25V93.8Very high87.2Confident0 Ų049 Ų490%028%0.277CS..EExtended strand (participates in β ladder)trans-105.2131.7175.4-168.80000109.5L13 K14 L23 W27 L38 P59 H60 I62 I73L13-V25 HydrophobicContact CD1-CG1 3.46Å; L13-V25 VanDerWaalsContact CD1-CG1 3.46Å; K14-V25 CarbonylContact O-C 3.55Å; K14-V25 WeakPolarHBondContact O-CA 3.27Å; L23-V25 HydrophobicContact CD1-CG2 3.28Å; V25-W27 HydrophobicContact CG1-CE3 4.17Å; V25-W27 HydrophobicContact CG1-CZ3 4.42Å; V25-L38 HydrophobicContact CB-CD2 4.34Å; V25-L38 HydrophobicContact CG1-CD1 3.93Å; V25-L38 HydrophobicContact CG1-CD2 4.35Å; V25-L38 HydrophobicContact CG2-CD2 4.39Å; V25-P59 CarbonylContact O-C 3.54Å; V25-P59 WeakPolarHBondContact O-CA 3.19Å; V25-H60 PolarHBondContact N-O 3.48Å; V25-H60 PolarHBondContact O-N 2.86Å; V25-I62 HydrophobicContact CG2-CG1 4.17Å; V25-I73 HydrophobicContact CG1-CG2 4.02Å; V25-I73 HydrophobicContact CG2-CD1 4.2Å; V25-I73 HydrophobicContact CG2-CG2 4.14Å
26D93.4Very high87.3Confident60 Ų6048 Ų4832%0.32127%0.268SS..EExtended strand (participates in β ladder)trans-129.8148.6175.5-166.813.6000110.3K14 P59K14-D26 PolarHBondContact N-O 3.34Å; K14-D26 PolarHBondContact O-N 2.9Å; D26-P59 HydrophobicContact CB-CB 4.15Å
27W92.8Very high87.7Confident2 Ų247.7 Ų47.71%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-146.9145.4-177.559.782.5000112.7L11 T12 L13 V25 I36 L38 L53 G55 D57 R58 H60L11-W27 HydrophobicContact CD1-CB 4.17Å; T12-W27 WeakPolarHBondContact O-CA 3.33Å; T12-W27 VanDerWaalsContact O-CB 3.31Å; T12-W27 WeakPolarHBondContact O-CB 3.47Å; L13-W27 HydrophobicContact CD1-CB 4.38Å; V25-W27 HydrophobicContact CG1-CE3 4.17Å; V25-W27 HydrophobicContact CG1-CZ3 4.42Å; W27-I36 HydrophobicContact CG-CG1 4.36Å; W27-L38 HydrophobicContact CZ3-CD2 4.36Å; W27-L53 HydrophobicContact CH2-CB 4.3Å; W27-L53 HydrophobicContact CH2-CD1 3.62Å; W27-L53 HydrophobicContact CZ2-CB 4.37Å; W27-L53 HydrophobicContact CZ2-CD1 4.46Å; W27-L53 HydrophobicContact CZ3-CD1 4.24Å; W27-G55 PolarHBondContact NE1-O 2.88Å; W27-G55 VanDerWaalsContact NE1-O 3.16Å; W27-D57 WeakPolarHBondContact CH2-O 3.1Å; W27-R58 HydrophobicContact CD2-CB 4.14Å; W27-R58 HydrophobicContact CE3-CB 4.47Å; W27-R58 HydrophobicContact CH2-CB 4.19Å; W27-R58 HydrophobicContact CZ2-CB 3.83Å; W27-R58 HydrophobicContact CZ3-CB 4.49Å; W27-R58 WeakPolarHBondContact O-CD 3.34Å; W27-R58 PolarHBondContact O-NE 2.97Å; W27-R58 PolarHBondContact O-NH1 2.93Å; W27-H60 HydrophobicContact CH2-CB 3.79Å; W27-H60 HydrophobicContact CZ3-CB 3.8Å
28T91.7Very high88.3Confident48 Ų4846.8 Ų46.829%0.29425%0.254SS..EExtended strand (participates in β ladder)trans-128.2140.6168.265.80000110L11 T12L11-T28 CarbonylContact C-O 3.49Å; L11-T28 WeakPolarHBondContact CA-O 3.19Å; T12-T28 PolarHBondContact N-O 3.46Å; T12-T28 PolarHBondContact O-N 2.56Å; T12-T28 VanDerWaalsContact O-N 3.16Å; T12-T28 PolarHBondContact OG1-N 2.91Å; T12-T28 PolarHBondContact OG1-OG1 2.72Å
29S88.8Confident89Confident11 Ų1147 Ų478%0.07725%0.25CC..EExtended strand (participates in β ladder)trans-132.9151.8177.374.20000111.6Y10 P31 A33Y10-S29 CarbonylContact O-C 3.53Å; Y10-S29 WeakPolarHBondContact O-CA 3.42Å; Y10-S29 WeakPolarHBondContact O-CB 3.46Å; S29-P31 CarbonylContact C-O 3.6Å; S29-P31 VanDerWaalsContact C-O 3.3Å; S29-P31 CarbonylContact O-C 3.55Å; S29-P31 PolarHBondContact OG-O 2.85Å; S29-A33 PolarHBondContact OG-N 2.82Å
30N86Confident89.7Confident50 Ų5044 Ų4427%0.26723%0.234SC..EExtended strand (participates in β ladder)trans-127.4127.6167-175.529.6000108.4N8 A9 Y10N8-N30 PolarHBondContact O-ND2 2.94Å; A9-N30 CarbonylContact C-O 3.5Å; A9-N30 WeakPolarHBondContact CA-O 3.49Å; A9-N30 WeakPolarHBondContact CB-O 3.37Å; Y10-N30 HydrophobicContact CD1-CB 3.54Å; Y10-N30 HydrophobicContact CE1-CB 3.27Å; Y10-N30 HydrophobicContact CE2-CB 4.35Å; Y10-N30 HydrophobicContact CG-CB 4.2Å; Y10-N30 PolarHBondContact N-O 3.42Å; Y10-N30 PolarHBondContact O-N 2.87Å
31P85Confident90.4Very high80 Ų8044.8 Ų44.852%0.51923%0.234SC..SBendcis-56.5164-16.228.3-35000111.4S29 A33S29-P31 CarbonylContact C-O 3.6Å; S29-P31 VanDerWaalsContact C-O 3.3Å; S29-P31 CarbonylContact O-C 3.55Å; S29-P31 PolarHBondContact OG-O 2.85Å; P31-A33 PolarHBondContact O-N 2.84Å; P31-A33 VanDerWaalsContact O-N 3.11Å
32V85.5Confident90.5Very high114 Ų11442.2 Ų42.269%0.69122%0.219SC*.PPolyproline II helixtrans-59.9119.5175.31800000108.1
33A86.3Confident90.1Very high13 Ų1347.1 Ų47.111%0.10724%0.244CC..PPolyproline II helixtrans-76.3135.3178.100000109.3S29 P31 S35 I36 G55 T77S29-A33 PolarHBondContact OG-N 2.82Å; P31-A33 PolarHBondContact O-N 2.84Å; P31-A33 VanDerWaalsContact O-N 3.11Å; A33-S35 VanDerWaalsContact C-N 3.26Å; A33-S35 PolarHBondContact O-N 3.45Å; A33-I36 HydrophobicContact CB-CD1 3.67Å; A33-I36 HydrophobicContact CB-CG1 4.46Å; A33-G55 WeakPolarHBondContact O-CA 3.47Å; A33-T77 HydrophobicContact CB-CG2 3.97Å
34E88.1Confident89.6Confident178 Ų17852.3 Ų52.383%0.83227%0.272SS*.SBendtrans-67.8-31.8173.3-68-177171.400111.6A54 G55E34-A54 WeakPolarHBondContact O-CA 3.48Å; E34-G55 PolarHBondContact O-N 2.8Å
35S90.8Very high89.1Confident13 Ų1350.4 Ų50.49%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-147.1147.9176.753.30000112.8A33 K52 L53 I78A33-S35 VanDerWaalsContact C-N 3.26Å; A33-S35 PolarHBondContact O-N 3.45Å; S35-K52 WeakPolarHBondContact OG-CE 3.24Å; S35-L53 CarbonylContact C-O 3.59Å; S35-L53 WeakPolarHBondContact CA-O 3.44Å; S35-L53 WeakPolarHBondContact CB-O 3.45Å; S35-I78 PolarHBondContact O-N 2.85Å; S35-I78 VanDerWaalsContact O-N 3.15Å
36I92.5Very high88.9Confident0 Ų052.5 Ų52.50%030%0.295CS..EExtended strand (participates in β ladder)trans-119.4130.4176.6-62.8-61.4000107.9L11 W27 A33 K52 L53 A75 Q76 T77L11-I36 HydrophobicContact CD1-CD1 4.18Å; W27-I36 HydrophobicContact CG-CG1 4.36Å; A33-I36 HydrophobicContact CB-CD1 3.67Å; A33-I36 HydrophobicContact CB-CG1 4.46Å; I36-K52 WeakPolarHBondContact O-CA 3.25Å; I36-L53 PolarHBondContact N-O 2.76Å; I36-L53 PolarHBondContact O-N 2.93Å; I36-A75 HydrophobicContact CG2-CB 4Å; I36-Q76 CarbonylContact C-O 3.57Å; I36-Q76 WeakPolarHBondContact CA-O 3.39Å; I36-T77 HydrophobicContact CD1-CG2 3.78Å
37K94.1Very high88.8Confident83 Ų8353 Ų5336%0.36130%0.3SS..EExtended strand (participates in β ladder)trans-83.5117.2162.4-175.2175.9-178176.80107.7D50 G51 A75 Q76 I78K37-D50 WeakPolarHBondContact CE-OD1 3.11Å; K37-D50 IonicContact NZ-OD1 3.76Å; K37-G51 WeakPolarHBondContact CA-O 3.34Å; K37-A75 CarbonylContact O-C 3.59Å; K37-A75 WeakPolarHBondContact O-CA 3.27Å; K37-Q76 HydrophobicContact CB-CB 4.34Å; K37-Q76 PolarHBondContact N-O 2.81Å; K37-Q76 PolarHBondContact O-N 2.77Å; K37-I78 HydrophobicContact CB-CD1 4.24Å; K37-I78 HydrophobicContact CB-CG1 4.32Å
38L95.3Very high88.7Confident0 Ų055.2 Ų55.20%031%0.314CS..EExtended strand (participates in β ladder)trans-112.1131.2177.5-179.173.8000108.4V25 W27 F49 G51 L53 I62 I73 S74 A75V25-L38 HydrophobicContact CB-CD2 4.34Å; V25-L38 HydrophobicContact CG1-CD1 3.93Å; V25-L38 HydrophobicContact CG1-CD2 4.35Å; V25-L38 HydrophobicContact CG2-CD2 4.39Å; W27-L38 HydrophobicContact CZ3-CD2 4.36Å; L38-F49 HydrophobicContact CB-CD1 4.34Å; L38-F49 HydrophobicContact CB-CE1 3.92Å; L38-F49 HydrophobicContact CD2-CD1 4.19Å; L38-F49 HydrophobicContact CD2-CE1 4.01Å; L38-F49 HydrophobicContact CG-CD1 4.22Å; L38-F49 HydrophobicContact CG-CE1 4.17Å; L38-F49 WeakPolarHBondContact O-CD1 3.32Å; L38-F49 WeakPolarHBondContact O-CE1 3.36Å; L38-G51 PolarHBondContact N-O 3.45Å; L38-G51 PolarHBondContact O-N 2.74Å; L38-L53 HydrophobicContact CB-CD1 4.3Å; L38-L53 HydrophobicContact CD2-CD1 3.91Å; L38-I62 HydrophobicContact CD2-CD1 4.33Å; L38-I73 HydrophobicContact CD1-CG2 3.8Å; L38-S74 CarbonylContact C-O 3.56Å; L38-S74 WeakPolarHBondContact CA-O 3.31Å; L38-A75 HydrophobicContact CD1-CB 4.12Å
39R94.3Very high88.8Confident86 Ų8655 Ų5533%0.32531%0.309SS..EExtended strand (participates in β ladder)trans-132.7126.7176.3179.9172.5177.8156.3-13.4110.5E41 F49 D50 S74R39-E41 HydrophobicContact CG-CG 3.89Å; R39-E41 IonicContact CZ-OE1 3.77Å; R39-E41 VanDerWaalsContact NE-CD 3.33Å; R39-E41 IonicContact NE-OE1 3.77Å; R39-E41 PolarHBondContact NE-OE1 2.85Å; R39-E41 IonicContact NH2-OE1 3.18Å; R39-E41 PolarHBondContact NH2-OE1 3.34Å; R39-F49 CarbonylContact C-O 3.52Å; R39-F49 VanDerWaalsContact CA-O 3.24Å; R39-F49 WeakPolarHBondContact CA-O 3.26Å; R39-D50 WeakPolarHBondContact CD-OD2 3.24Å; R39-D50 HydrophobicContact CG-CB 4.24Å; R39-D50 IonicContact CZ-OD2 2.68Å; R39-D50 IonicContact NE-OD2 3.73Å; R39-D50 IonicContact NH1-OD2 3.86Å; R39-D50 PolarHBondContact NH1-OD2 3.06Å; R39-S74 PolarHBondContact N-O 3.13Å; R39-S74 PolarHBondContact O-N 3.47Å; R39-S74 PolarHBondContact O-OG 2.89Å
40V93.6Very high89.1Confident0 Ų058 Ų580%032%0.324CS..EExtended strand (participates in β ladder)trans-119.6122179.7-175.60000108.5L23 V48 F49 I62 Y71 S72 I73L23-V40 HydrophobicContact CD2-CG1 4.46Å; V40-V48 PolarHBondContact O-N 3.19Å; V40-F49 HydrophobicContact CB-CB 4.07Å; V40-F49 HydrophobicContact CG2-CB 4.16Å; V40-F49 PolarHBondContact N-O 2.97Å; V40-F49 PolarHBondContact O-N 3.48Å; V40-I62 HydrophobicContact CG2-CD1 4.35Å; V40-I62 HydrophobicContact CG2-CG1 4.13Å; V40-Y71 HydrophobicContact CG1-CD1 3.93Å; V40-Y71 HydrophobicContact CG1-CG 4.35Å; V40-S72 WeakPolarHBondContact CA-O 3.34Å; V40-I73 HydrophobicContact CG1-CG1 4.03Å; V40-I73 HydrophobicContact CG2-CB 4.5Å; V40-I73 HydrophobicContact CG2-CG1 4.07Å; V40-I73 HydrophobicContact CG2-CG2 4.15Å
41E92.2Very high89.5Confident43 Ų4356.5 Ų56.520%0.20132%0.32CS..EExtended strand (participates in β ladder)trans-130.9137.1-176.5-49.7-177.6122.800109.3R39 A46 V47 Y71 S72R39-E41 HydrophobicContact CG-CG 3.89Å; R39-E41 IonicContact CZ-OE1 3.77Å; R39-E41 VanDerWaalsContact NE-CD 3.33Å; R39-E41 IonicContact NE-OE1 3.77Å; R39-E41 PolarHBondContact NE-OE1 2.85Å; R39-E41 IonicContact NH2-OE1 3.18Å; R39-E41 PolarHBondContact NH2-OE1 3.34Å; E41-A46 CarbonylContact C-O 3.47Å; E41-A46 VanDerWaalsContact CA-O 3.3Å; E41-A46 WeakPolarHBondContact CA-O 3.4Å; E41-V47 HydrophobicContact CG-CG2 4.19Å; E41-Y71 CarbonylContact O-C 3.56Å; E41-Y71 VanDerWaalsContact O-CA 3.29Å; E41-Y71 WeakPolarHBondContact O-CA 3.45Å; E41-S72 PolarHBondContact N-O 3.06Å; E41-S72 PolarHBondContact O-N 3.21Å
42S87.8Confident89.9Confident8 Ų859.4 Ų59.46%0.05633%0.325CS..EExtended strand (participates in β ladder)trans-71.7159.4164.834.30000110.5D44 G45 A46 E70 Y71S42-D44 WeakPolarHBondContact CB-OD1 3.19Å; S42-D44 PolarHBondContact O-N 2.81Å; S42-D44 PolarHBondContact OG-OD1 3.24Å; S42-G45 WeakPolarHBondContact O-CA 3.32Å; S42-G45 PolarHBondContact O-N 3.43Å; S42-A46 PolarHBondContact N-O 3.48Å; S42-A46 WeakPolarHBondContact OG-CB 3.23Å; S42-A46 PolarHBondContact OG-O 2.81Å; S42-A46 VanDerWaalsContact OG-O 3.11Å; S42-E70 WeakPolarHBondContact CA-O 3.33Å; S42-Y71 VanDerWaalsContact CB-CE1 3.5Å
43L78.6Confident90.3Very high110 Ų11055 Ų5558%0.57630%0.297SS*.THydrogen-bonded Turntrans-62.1-22.4177-80.4178.3000114.1G45 E70L43-G45 PolarHBondContact O-N 2.58Å; L43-E70 HydrophobicContact CD1-CB 3.46Å; L43-E70 VanDerWaalsContact CD1-CB 3.46Å; L43-E70 HydrophobicContact CD1-CG 4.18Å; L43-E70 WeakPolarHBondContact CD1-OE2 3.45Å; L43-E70 HydrophobicContact CG-CB 3.92Å; L43-E70 PolarHBondContact N-O 2.89Å; L43-E70 VanDerWaalsContact N-O 3.09Å
44D79.9Confident90.5Very high109 Ų10955.9 Ų55.958%0.58330%0.304SS*.THydrogen-bonded Turntrans-71.7-3.2170.7661.4000113.1S42 A46 K66S42-D44 WeakPolarHBondContact CB-OD1 3.19Å; S42-D44 PolarHBondContact O-N 2.81Å; S42-D44 PolarHBondContact OG-OD1 3.24Å; D44-A46 WeakPolarHBondContact OD1-CB 3.32Å; D44-A46 PolarHBondContact OD1-N 2.86Å; D44-K66 IonicContact OD2-NZ 2.68Å
45G81.7Confident90.5Very high50 Ų5047.6 Ų47.652%0.51527%0.266SS..SBendtrans90.3-0.7179.400000114.6S42 L43 V47S42-G45 WeakPolarHBondContact O-CA 3.32Å; S42-G45 PolarHBondContact O-N 3.43Å; L43-G45 PolarHBondContact O-N 2.58Å; G45-V47 PolarHBondContact O-N 3.4Å
46A88.9Confident90.4Very high44 Ų4455.2 Ų55.236%0.36430%0.298SS..  trans-72.5123.4178.100000111.2E41 S42 D44 V48E41-A46 CarbonylContact C-O 3.47Å; E41-A46 VanDerWaalsContact CA-O 3.3Å; E41-A46 WeakPolarHBondContact CA-O 3.4Å; S42-A46 PolarHBondContact N-O 3.48Å; S42-A46 WeakPolarHBondContact OG-CB 3.23Å; S42-A46 PolarHBondContact OG-O 2.81Å; S42-A46 VanDerWaalsContact OG-O 3.11Å; D44-A46 WeakPolarHBondContact OD1-CB 3.32Å; D44-A46 PolarHBondContact OD1-N 2.86Å; A46-V48 PolarHBondContact O-N 2.81Å
47V91.7Very high90.3Very high71 Ų7158.8 Ų58.843%0.4332%0.317SS..EExtended strand (participates in β ladder)trans-80.9115.2177.2-177.20000108.9E41 G45 D50E41-V47 HydrophobicContact CG-CG2 4.19Å; G45-V47 PolarHBondContact O-N 3.4Å; V47-D50 HydrophobicContact CG1-CB 3.82Å
48V90.6Very high90.1Very high49 Ų4959.7 Ų59.730%0.29732%0.318SS..EExtended strand (participates in β ladder)trans-90.1-28.2176.7-177.20000111.5V40 A46 I62 I65 Y71V40-V48 PolarHBondContact O-N 3.19Å; A46-V48 PolarHBondContact O-N 2.81Å; V48-I62 HydrophobicContact CG1-CG2 4.12Å; V48-I65 HydrophobicContact CB-CG2 4.46Å; V48-I65 HydrophobicContact CG1-CG2 3.8Å; V48-Y71 HydrophobicContact CB-CE1 4.4Å; V48-Y71 HydrophobicContact CG2-CD1 4.23Å; V48-Y71 HydrophobicContact CG2-CE1 3.43Å; V48-Y71 VanDerWaalsContact CG2-CE1 3.43Å
49F94.2Very high90Very high44 Ų4463 Ų6319%0.19334%0.34CS..EExtended strand (participates in β ladder)trans-150.6132.2175.6-176.9-87.3000109.7L38 R39 V40 L53 H60 I62L38-F49 HydrophobicContact CB-CD1 4.34Å; L38-F49 HydrophobicContact CB-CE1 3.92Å; L38-F49 HydrophobicContact CD2-CD1 4.19Å; L38-F49 HydrophobicContact CD2-CE1 4.01Å; L38-F49 HydrophobicContact CG-CD1 4.22Å; L38-F49 HydrophobicContact CG-CE1 4.17Å; L38-F49 WeakPolarHBondContact O-CD1 3.32Å; L38-F49 WeakPolarHBondContact O-CE1 3.36Å; R39-F49 CarbonylContact C-O 3.52Å; R39-F49 VanDerWaalsContact CA-O 3.24Å; R39-F49 WeakPolarHBondContact CA-O 3.26Å; V40-F49 HydrophobicContact CB-CB 4.07Å; V40-F49 HydrophobicContact CG2-CB 4.16Å; V40-F49 PolarHBondContact N-O 2.97Å; V40-F49 PolarHBondContact O-N 3.48Å; F49-L53 HydrophobicContact CE1-CD1 4.3Å; F49-L53 HydrophobicContact CE1-CG 4.49Å; F49-L53 HydrophobicContact CZ-CD1 4.08Å; F49-L53 HydrophobicContact CZ-CD2 4.02Å; F49-L53 HydrophobicContact CZ-CG 4.11Å; F49-H60 AromaticContact CE2-NE2 3.61Å; F49-H60 AromaticContact CZ-NE2 3.86Å; F49-I62 HydrophobicContact CB-CD1 3.76Å; F49-I62 HydrophobicContact CB-CG2 4.4Å; F49-I62 HydrophobicContact CD1-CD1 3.95Å; F49-I62 HydrophobicContact CD2-CD1 3.54Å; F49-I62 HydrophobicContact CE1-CD1 4.46Å; F49-I62 HydrophobicContact CE2-CD1 4.08Å; F49-I62 HydrophobicContact CG-CD1 3.46Å; F49-I62 VanDerWaalsContact CG-CD1 3.46Å
50D94.2Very high90Very high73 Ų7361.1 Ų61.139%0.3934%0.335SS..EExtended strand (participates in β ladder)trans-142.1110.3165.2-169.8-16.5000107.1K37 R39 V47K37-D50 WeakPolarHBondContact CE-OD1 3.11Å; K37-D50 IonicContact NZ-OD1 3.76Å; R39-D50 WeakPolarHBondContact CD-OD2 3.24Å; R39-D50 HydrophobicContact CG-CB 4.24Å; R39-D50 IonicContact CZ-OD2 2.68Å; R39-D50 IonicContact NE-OD2 3.73Å; R39-D50 IonicContact NH1-OD2 3.86Å; R39-D50 PolarHBondContact NH1-OD2 3.06Å; V47-D50 HydrophobicContact CG1-CB 3.82Å
51G94.1Very high90Very high19 Ų1964.4 Ų64.420%0.19636%0.355CS..EExtended strand (participates in β ladder)trans-158.6155.7-169.900000113.8K37 L38K37-G51 WeakPolarHBondContact CA-O 3.34Å; L38-G51 PolarHBondContact N-O 3.45Å; L38-G51 PolarHBondContact O-N 2.74Å
52K93.7Very high90Very high141 Ų14162.6 Ų62.661%0.61335%0.346SS*.EExtended strand (participates in β ladder)trans-95.6117.8170.5178.5177.8-178.8-176.40108.7S35 I36 I78S35-K52 WeakPolarHBondContact OG-CE 3.24Å; I36-K52 WeakPolarHBondContact O-CA 3.25Å; K52-I78 HydrophobicContact CB-CD1 4.36Å; K52-I78 HydrophobicContact CD-CD1 3.6Å; K52-I78 HydrophobicContact CG-CD1 3.6Å
53L93.2Very high90.2Very high22 Ų2266 Ų6612%0.11537%0.367CS..EExtended strand (participates in β ladder)trans-107.7150176.4-62.3176.2000109.8W27 S35 I36 L38 F49 H60W27-L53 HydrophobicContact CH2-CB 4.3Å; W27-L53 HydrophobicContact CH2-CD1 3.62Å; W27-L53 HydrophobicContact CZ2-CB 4.37Å; W27-L53 HydrophobicContact CZ2-CD1 4.46Å; W27-L53 HydrophobicContact CZ3-CD1 4.24Å; S35-L53 CarbonylContact C-O 3.59Å; S35-L53 WeakPolarHBondContact CA-O 3.44Å; S35-L53 WeakPolarHBondContact CB-O 3.45Å; I36-L53 PolarHBondContact N-O 2.76Å; I36-L53 PolarHBondContact O-N 2.93Å; L38-L53 HydrophobicContact CB-CD1 4.3Å; L38-L53 HydrophobicContact CD2-CD1 3.91Å; F49-L53 HydrophobicContact CE1-CD1 4.3Å; F49-L53 HydrophobicContact CE1-CG 4.49Å; F49-L53 HydrophobicContact CZ-CD1 4.08Å; F49-L53 HydrophobicContact CZ-CD2 4.02Å; F49-L53 HydrophobicContact CZ-CG 4.11Å; L53-H60 HydrophobicContact CD1-CB 3.94Å
54A91.1Very high90.5Very high30 Ų3067.4 Ų67.425%0.24838%0.375CS..EExtended strand (participates in β ladder)trans-67.314416900000108.7E34 K56 D57E34-A54 WeakPolarHBondContact O-CA 3.48Å; A54-K56 HydrophobicContact CB-CG 4.02Å; A54-K56 PolarHBondContact O-N 2.91Å; A54-D57 VanDerWaalsContact CB-OD2 3.25Å; A54-D57 WeakPolarHBondContact CB-OD2 3.29Å; A54-D57 PolarHBondContact N-OD2 3.37Å; A54-D57 WeakPolarHBondContact O-CB 3.22Å; A54-D57 PolarHBondContact O-N 2.88Å
55G87.5Confident90.9Very high4 Ų462.4 Ų62.44%0.04135%0.348CS..THydrogen-bonded Turntrans-62.2-18.5-176.800000114.1W27 A33 E34W27-G55 PolarHBondContact NE1-O 2.88Å; W27-G55 VanDerWaalsContact NE1-O 3.16Å; A33-G55 WeakPolarHBondContact O-CA 3.47Å; E34-G55 PolarHBondContact O-N 2.8Å
56K89.2Confident91Very high174 Ų17465.5 Ų65.576%0.75735%0.347SS*.THydrogen-bonded Turntrans-83.3-16173.767.2177.6-177.5177.50114.5A54 R58A54-K56 HydrophobicContact CB-CG 4.02Å; A54-K56 PolarHBondContact O-N 2.91Å; K56-R58 PolarHBondContact O-N 3.32Å
57D91.6Very high90.5Very high75 Ų7564.6 Ų64.640%0.40134%0.338SS..SBendtrans-80.850-176.3-61.1-18.5000110.9W27 A54W27-D57 WeakPolarHBondContact CH2-O 3.1Å; A54-D57 VanDerWaalsContact CB-OD2 3.25Å; A54-D57 WeakPolarHBondContact CB-OD2 3.29Å; A54-D57 PolarHBondContact N-OD2 3.37Å; A54-D57 WeakPolarHBondContact O-CB 3.22Å; A54-D57 PolarHBondContact O-N 2.88Å
58R89.6Confident89.7Confident101 Ų10164.8 Ų64.838%0.38134%0.343SS..  trans-120.3145.4-179.769175-171.3-140-4110.2W27 K56W27-R58 HydrophobicContact CD2-CB 4.14Å; W27-R58 HydrophobicContact CE3-CB 4.47Å; W27-R58 HydrophobicContact CH2-CB 4.19Å; W27-R58 HydrophobicContact CZ2-CB 3.83Å; W27-R58 HydrophobicContact CZ3-CB 4.49Å; W27-R58 WeakPolarHBondContact O-CD 3.34Å; W27-R58 PolarHBondContact O-NE 2.97Å; W27-R58 PolarHBondContact O-NH1 2.93Å; K56-R58 PolarHBondContact O-N 3.32Å
59P92.4Very high89.3Confident71 Ų7163.9 Ų63.946%0.46134%0.338SS..SBendcis-69.5154.2-10.131.3-35.5000111.6K24 V25 D26K24-P59 HydrophobicContact CD-CB 3.82Å; K24-P59 HydrophobicContact CD-CG 3.93Å; K24-P59 HydrophobicContact CG-CB 3.68Å; K24-P59 HydrophobicContact CG-CG 4.3Å; V25-P59 CarbonylContact O-C 3.54Å; V25-P59 WeakPolarHBondContact O-CA 3.19Å; D26-P59 HydrophobicContact CB-CB 4.15Å
60H94.3Very high88.9Confident45 Ų4565.9 Ų65.921%0.20835%0.348CS..EExtended strand (participates in β ladder)trans-109137.2175.7-169.977.1000110.8V25 W27 F49 L53 I62V25-H60 PolarHBondContact N-O 3.48Å; V25-H60 PolarHBondContact O-N 2.86Å; W27-H60 HydrophobicContact CH2-CB 3.79Å; W27-H60 HydrophobicContact CZ3-CB 3.8Å; F49-H60 AromaticContact CE2-NE2 3.61Å; F49-H60 AromaticContact CZ-NE2 3.86Å; L53-H60 HydrophobicContact CD1-CB 3.94Å; H60-I62 VanDerWaalsContact CD2-CD1 3.45Å; H60-I62 WeakPolarHBondContact CD2-CD1 3.34Å
61V93.4Very high88.6Confident69 Ų6962.5 Ų62.542%0.41833%0.33SS..EExtended strand (participates in β ladder)trans-103.4122.4-179.6179.50000109.2I18 A22 L23 K24 T63I18-V61 HydrophobicContact CD1-CB 4.47Å; I18-V61 HydrophobicContact CD1-CG1 3.66Å; I18-V61 HydrophobicContact CD1-CG2 4.02Å; A22-V61 HydrophobicContact CB-CG1 4.44Å; L23-V61 WeakPolarHBondContact O-CA 3.2Å; K24-V61 HydrophobicContact CG-CG2 4.42Å; V61-T63 HydrophobicContact CG1-CG2 4.06Å
62I92.8Very high88.5Confident5 Ų561.9 Ų61.93%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-98.5119.9172.8-54.1-67.5000107.1A22 L23 V25 L38 V40 V48 F49 H60 I65A22-I62 CarbonylContact C-O 3.52Å; A22-I62 WeakPolarHBondContact CA-O 3.46Å; L23-I62 HydrophobicContact CD1-CB 3.72Å; L23-I62 HydrophobicContact CD1-CG1 3.74Å; L23-I62 HydrophobicContact CG-CB 3.97Å; L23-I62 PolarHBondContact N-O 3.12Å; L23-I62 PolarHBondContact O-N 2.82Å; V25-I62 HydrophobicContact CG2-CG1 4.17Å; L38-I62 HydrophobicContact CD2-CD1 4.33Å; V40-I62 HydrophobicContact CG2-CD1 4.35Å; V40-I62 HydrophobicContact CG2-CG1 4.13Å; V48-I62 HydrophobicContact CG1-CG2 4.12Å; F49-I62 HydrophobicContact CB-CD1 3.76Å; F49-I62 HydrophobicContact CB-CG2 4.4Å; F49-I62 HydrophobicContact CD1-CD1 3.95Å; F49-I62 HydrophobicContact CD2-CD1 3.54Å; F49-I62 HydrophobicContact CE1-CD1 4.46Å; F49-I62 HydrophobicContact CE2-CD1 4.08Å; F49-I62 HydrophobicContact CG-CD1 3.46Å; F49-I62 VanDerWaalsContact CG-CD1 3.46Å; H60-I62 VanDerWaalsContact CD2-CD1 3.45Å; H60-I62 WeakPolarHBondContact CD2-CD1 3.34Å; I62-I65 HydrophobicContact CG2-CG2 4.08Å
63T91Very high88.5Confident79 Ų7955.1 Ų55.149%0.48529%0.293SS..EExtended strand (participates in β ladder)trans-105177.4176.957.30000110.7T21 A22 V61 I65T21-T63 CarbonylContact O-C 3.51Å; T21-T63 WeakPolarHBondContact O-CA 3.43Å; A22-T63 HydrophobicContact CB-CG2 4.28Å; V61-T63 HydrophobicContact CG1-CG2 4.06Å; T63-I65 PolarHBondContact O-N 3.13Å
64N86Confident88.5Confident141 Ų14154.7 Ų54.775%0.75429%0.292SS*.  trans60.727.1177.4-55.4-26.6000114.2T21T21-N64 PolarHBondContact O-N 2.92Å
65I87.8Confident88.6Confident4 Ų453.2 Ų53.22%0.02128%0.28CS..PPolyproline II helixtrans-78.3152.3166.255.2-176.4000109.5T21 L23 V48 I62 T63 Y71 T94T21-I65 WeakPolarHBondContact CA-O 3.45Å; T21-I65 WeakPolarHBondContact O-CG1 3.06Å; T21-I65 PolarHBondContact O-N 3.15Å; L23-I65 HydrophobicContact CB-CD1 3.81Å; L23-I65 HydrophobicContact CD2-CD1 3.66Å; L23-I65 HydrophobicContact CD2-CG2 4.27Å; L23-I65 HydrophobicContact CG-CD1 3.76Å; V48-I65 HydrophobicContact CB-CG2 4.46Å; V48-I65 HydrophobicContact CG1-CG2 3.8Å; I62-I65 HydrophobicContact CG2-CG2 4.08Å; T63-I65 PolarHBondContact O-N 3.13Å; I65-Y71 HydrophobicContact CB-CD2 4.41Å; I65-Y71 HydrophobicContact CB-CE1 4.42Å; I65-Y71 HydrophobicContact CB-CE2 3.65Å; I65-Y71 HydrophobicContact CG2-CD1 4.43Å; I65-Y71 HydrophobicContact CG2-CD2 4.43Å; I65-Y71 HydrophobicContact CG2-CE1 4.06Å; I65-Y71 HydrophobicContact CG2-CE2 4.01Å; I65-T94 HydrophobicContact CB-CG2 4.17Å; I65-T94 HydrophobicContact CD1-CG2 3.22Å; I65-T94 HydrophobicContact CG1-CG2 3.76Å
66K83.1Confident88.8Confident114 Ų11456.3 Ų56.350%0.49629%0.293SS..PPolyproline II helixtrans-76.8142.8177.3-68177.8-176.1170.60109.6S20 D44 S69 Y71 T94S20-K66 CarbonylContact O-C 3.41Å; D44-K66 IonicContact OD2-NZ 2.68Å; K66-S69 VanDerWaalsContact CB-OG 3.27Å; K66-S69 WeakPolarHBondContact CB-OG 3.49Å; K66-S69 WeakPolarHBondContact O-CB 3.49Å; K66-Y71 PolarHBondContact N-OH 2.91Å; K66-T94 WeakPolarHBondContact O-CB 3.49Å; K66-T94 PolarHBondContact O-OG1 3.3Å
67P79.6Confident88.8Confident26 Ų2648.6 Ų48.617%0.16926%0.261CS..THydrogen-bonded Turntrans-59158.1167.4-21.631.8000112.5S20 T21 S69 T94 F95 E97S20-P67 VanDerWaalsContact O-CA 3.3Å; S20-P67 WeakPolarHBondContact O-CA 3.34Å; T21-P67 HydrophobicContact CG2-CG 4.48Å; P67-S69 PolarHBondContact O-N 3.28Å; P67-S69 PolarHBondContact O-OG 2.93Å; P67-T94 VanDerWaalsContact C-OG1 3.26Å; P67-F95 CarbonylContact C-O 3.4Å; P67-F95 WeakPolarHBondContact CA-O 3.47Å; P67-F95 VanDerWaalsContact CB-O 3.28Å; P67-F95 WeakPolarHBondContact CB-O 3.12Å; P67-E97 HydrophobicContact CB-CB 4.07Å; P67-E97 HydrophobicContact CB-CG 4.26Å; P67-E97 HydrophobicContact CG-CB 4.03Å; P67-E97 HydrophobicContact CG-CG 3.66Å
68S74Confident88.4Confident75 Ų7548.3 Ų48.352%0.52426%0.259SS..THydrogen-bonded Turntrans47.931.5175.9-64.40000114.8T94 F95 G96S68-T94 WeakPolarHBondContact CA-O 3.37Å; S68-T94 PolarHBondContact N-O 3.38Å; S68-T94 PolarHBondContact N-OG1 2.94Å; S68-T94 VanDerWaalsContact N-OG1 3.12Å; S68-F95 PolarHBondContact N-O 3.31Å; S68-G96 WeakPolarHBondContact OG-CA 3.19Å
69S82.3Confident87.8Confident29 Ų2946.3 Ų46.320%0.20326%0.257CS..  trans-121.7139.2-171.6-62.90000110.4K66 P67 Y71 Q93 T94K66-S69 VanDerWaalsContact CB-OG 3.27Å; K66-S69 WeakPolarHBondContact CB-OG 3.49Å; K66-S69 WeakPolarHBondContact O-CB 3.49Å; P67-S69 PolarHBondContact O-N 3.28Å; P67-S69 PolarHBondContact O-OG 2.93Å; S69-Y71 WeakPolarHBondContact O-CD2 3.42Å; S69-Q93 WeakPolarHBondContact O-CA 3.4Å; S69-T94 PolarHBondContact N-OG1 3.18Å; S69-T94 PolarHBondContact O-N 3.15Å; S69-T94 PolarHBondContact O-OG1 2.57Å; S69-T94 VanDerWaalsContact O-OG1 3.12Å
70E85.4Confident86.5Confident86 Ų8645.9 Ų45.940%0.40227%0.265SS..EExtended strand (participates in β ladder)trans-88.8134.9176.3-73.5-171.5111.900111.4S42 L43 V92 Q93S42-E70 WeakPolarHBondContact CA-O 3.33Å; L43-E70 HydrophobicContact CD1-CB 3.46Å; L43-E70 VanDerWaalsContact CD1-CB 3.46Å; L43-E70 HydrophobicContact CD1-CG 4.18Å; L43-E70 WeakPolarHBondContact CD1-OE2 3.45Å; L43-E70 HydrophobicContact CG-CB 3.92Å; L43-E70 PolarHBondContact N-O 2.89Å; L43-E70 VanDerWaalsContact N-O 3.09Å; E70-V92 CarbonylContact C-O 3.58Å; E70-V92 WeakPolarHBondContact CA-O 3.28Å; E70-Q93 HydrophobicContact CG-CB 4.07Å; E70-Q93 HydrophobicContact CG-CG 3.98Å
71Y89.4Confident84.6Confident2 Ų252 Ų521%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-123.4129.9-178.5-72.1-81.2000111.5V40 E41 S42 V48 I65 K66 S69 I91 V92 T94V40-Y71 HydrophobicContact CG1-CD1 3.93Å; V40-Y71 HydrophobicContact CG1-CG 4.35Å; E41-Y71 CarbonylContact O-C 3.56Å; E41-Y71 VanDerWaalsContact O-CA 3.29Å; E41-Y71 WeakPolarHBondContact O-CA 3.45Å; S42-Y71 VanDerWaalsContact CB-CE1 3.5Å; V48-Y71 HydrophobicContact CB-CE1 4.4Å; V48-Y71 HydrophobicContact CG2-CD1 4.23Å; V48-Y71 HydrophobicContact CG2-CE1 3.43Å; V48-Y71 VanDerWaalsContact CG2-CE1 3.43Å; I65-Y71 HydrophobicContact CB-CD2 4.41Å; I65-Y71 HydrophobicContact CB-CE1 4.42Å; I65-Y71 HydrophobicContact CB-CE2 3.65Å; I65-Y71 HydrophobicContact CG2-CD1 4.43Å; I65-Y71 HydrophobicContact CG2-CD2 4.43Å; I65-Y71 HydrophobicContact CG2-CE1 4.06Å; I65-Y71 HydrophobicContact CG2-CE2 4.01Å; K66-Y71 PolarHBondContact N-OH 2.91Å; S69-Y71 WeakPolarHBondContact O-CD2 3.42Å; Y71-I91 VanDerWaalsContact O-CA 3.31Å; Y71-I91 WeakPolarHBondContact O-CA 3.32Å; Y71-V92 PolarHBondContact N-O 2.91Å; Y71-V92 PolarHBondContact O-N 2.83Å; Y71-T94 HydrophobicContact CD2-CG2 3.72Å; Y71-T94 HydrophobicContact CE2-CG2 3.64Å
72S90.9Very high83Confident6 Ų653 Ų534%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-87.2114.9167153.10000109.3V40 E41 K89V40-S72 WeakPolarHBondContact CA-O 3.34Å; E41-S72 PolarHBondContact N-O 3.06Å; E41-S72 PolarHBondContact O-N 3.21Å; S72-K89 WeakPolarHBondContact OG-CE 3.22Å; S72-K89 PolarHBondContact OG-NZ 3.02Å
73I93.3Very high81.9Confident0 Ų059.8 Ų59.80%035%0.353CS..EExtended strand (participates in β ladder)trans-109.5119.5177.7-57.5164.8000107.9L13 A15 L23 V25 L38 V40 K89 V90 V92L13-I73 HydrophobicContact CD2-CG2 4.15Å; A15-I73 HydrophobicContact CB-CD1 3.29Å; L23-I73 HydrophobicContact CD1-CD1 3.9Å; L23-I73 HydrophobicContact CD2-CD1 4.03Å; V25-I73 HydrophobicContact CG1-CG2 4.02Å; V25-I73 HydrophobicContact CG2-CD1 4.2Å; V25-I73 HydrophobicContact CG2-CG2 4.14Å; L38-I73 HydrophobicContact CD1-CG2 3.8Å; V40-I73 HydrophobicContact CG1-CG1 4.03Å; V40-I73 HydrophobicContact CG2-CB 4.5Å; V40-I73 HydrophobicContact CG2-CG1 4.07Å; V40-I73 HydrophobicContact CG2-CG2 4.15Å; I73-K89 CarbonylContact O-C 3.56Å; I73-K89 VanDerWaalsContact O-CA 3.23Å; I73-K89 WeakPolarHBondContact O-CA 3.32Å; I73-V90 HydrophobicContact CB-CG2 3.84Å; I73-V90 HydrophobicContact CD1-CG2 4.27Å; I73-V90 HydrophobicContact CG2-CG2 4.35Å; I73-V90 PolarHBondContact N-O 2.83Å; I73-V90 PolarHBondContact O-N 3.07Å; I73-V92 HydrophobicContact CD1-CG1 4.29Å; I73-V92 HydrophobicContact CD1-CG2 3.65Å; I73-V92 HydrophobicContact CG1-CG2 4.49Å
74S92.8Very high81.3Confident12 Ų1267 Ų678%0.08437%0.372CS..EExtended strand (participates in β ladder)trans-120135.3177.864.10000111.7L38 R39 Y87 R88L38-S74 CarbonylContact C-O 3.56Å; L38-S74 WeakPolarHBondContact CA-O 3.31Å; R39-S74 PolarHBondContact N-O 3.13Å; R39-S74 PolarHBondContact O-N 3.47Å; R39-S74 PolarHBondContact O-OG 2.89Å; S74-Y87 VanDerWaalsContact CB-OH 3.3Å; S74-Y87 WeakPolarHBondContact CB-OH 3.21Å; S74-R88 CarbonylContact C-O 3.59Å; S74-R88 VanDerWaalsContact CA-O 3.25Å; S74-R88 WeakPolarHBondContact CA-O 3.3Å
75A93.8Very high81.1Confident0 Ų063.2 Ų63.20%035%0.354CS..EExtended strand (participates in β ladder)trans-125.4137.1178.100000110.1L11 L13 I36 K37 L38 Y87 R88L11-A75 HydrophobicContact CD2-CB 3.99Å; L11-A75 WeakPolarHBondContact CD2-O 3.22Å; L13-A75 HydrophobicContact CD1-CB 3.81Å; L13-A75 HydrophobicContact CD2-CB 3.92Å; L13-A75 HydrophobicContact CG-CB 4.4Å; I36-A75 HydrophobicContact CG2-CB 4Å; K37-A75 CarbonylContact O-C 3.59Å; K37-A75 WeakPolarHBondContact O-CA 3.27Å; L38-A75 HydrophobicContact CD1-CB 4.12Å; A75-Y87 WeakPolarHBondContact O-CA 3.49Å; A75-R88 PolarHBondContact N-O 2.76Å; A75-R88 PolarHBondContact O-N 2.9Å
76Q92.1Very high81Confident69 Ų6964.7 Ų64.732%0.32236%0.362SS..EExtended strand (participates in β ladder)trans-133130.4-179.2-174.2-178.822.800110.2I36 K37 P85 I86I36-Q76 CarbonylContact C-O 3.57Å; I36-Q76 WeakPolarHBondContact CA-O 3.39Å; K37-Q76 HydrophobicContact CB-CB 4.34Å; K37-Q76 PolarHBondContact N-O 2.81Å; K37-Q76 PolarHBondContact O-N 2.77Å; Q76-P85 HydrophobicContact CG-CB 3.66Å; Q76-P85 HydrophobicContact CG-CG 4.38Å; Q76-I86 WeakPolarHBondContact CA-O 3.25Å
77T89.4Confident81.3Confident12 Ų1264.8 Ų64.87%0.07436%0.36CS..EExtended strand (participates in β ladder)trans-70.3135.9170.759.60000110.4L11 A33 I36 P85 I86L11-T77 HydrophobicContact CD1-CG2 4.42Å; L11-T77 HydrophobicContact CD2-CG2 4.4Å; A33-T77 HydrophobicContact CB-CG2 3.97Å; I36-T77 HydrophobicContact CD1-CG2 3.78Å; T77-P85 WeakPolarHBondContact O-CB 3.22Å; T77-I86 HydrophobicContact CG2-CB 4.31Å; T77-I86 PolarHBondContact N-O 2.97Å; T77-I86 VanDerWaalsContact N-O 3.1Å; T77-I86 PolarHBondContact OG1-N 3.48Å
78I83.3Confident81.9Confident69 Ų6969.5 Ų69.535%0.35438%0.375SS..  trans-95.1119171.4-59.7170.1000107S35 K37 K52S35-I78 PolarHBondContact O-N 2.85Å; S35-I78 VanDerWaalsContact O-N 3.15Å; K37-I78 HydrophobicContact CB-CD1 4.24Å; K37-I78 HydrophobicContact CB-CG1 4.32Å; K52-I78 HydrophobicContact CB-CD1 4.36Å; K52-I78 HydrophobicContact CD-CD1 3.6Å; K52-I78 HydrophobicContact CG-CD1 3.6Å
79V76.1Confident82.7Confident59 Ų5971.3 Ų71.336%0.35837%0.373SS..  trans-116139.8-176.4-124.40000110K83 P85V79-K83 HydrophobicContact CB-CB 3.73Å; V79-K83 HydrophobicContact CG1-CB 3.48Å; V79-K83 VanDerWaalsContact CG1-CB 3.48Å; V79-K83 HydrophobicContact CG1-CD 3.77Å; V79-K83 HydrophobicContact CG1-CG 4.26Å; V79-K83 HydrophobicContact CG2-CB 4.18Å; V79-P85 HydrophobicContact CG2-CB 4.14Å
80G65.6Low83Confident61 Ų6171.8 Ų71.863%0.62938%0.375SS*.  trans-72.5171.6167.300000112.5G82G80-G82 PolarHBondContact O-N 2.87Å
81D55Low83Confident175 Ų17572.7 Ų72.794%0.93638%0.381SS*.THydrogen-bonded Turntrans-18.7117-168.9-83.4-19.7000116.9K83D81-K83 PolarHBondContact O-N 2.88Å
82G58.8Low82.7Confident89 Ų8973.5 Ų73.592%0.91839%0.387SS*.THydrogen-bonded Turntrans82.6-8.3164.600000117.4G80G80-G82 PolarHBondContact O-N 2.87Å
83K71.2Confident82.3Confident147 Ų14778.7 Ų78.764%0.63941%0.41SS*.PPolyproline II helixtrans-90.1137.7178.2-71.1179.6-178.3176.90112.2V79 D81V79-K83 HydrophobicContact CB-CB 3.73Å; V79-K83 HydrophobicContact CG1-CB 3.48Å; V79-K83 VanDerWaalsContact CG1-CB 3.48Å; V79-K83 HydrophobicContact CG1-CD 3.77Å; V79-K83 HydrophobicContact CG1-CG 4.26Å; V79-K83 HydrophobicContact CG2-CB 4.18Å; D81-K83 PolarHBondContact O-N 2.88Å
84R76.4Confident81.4Confident231 Ų23178.9 Ų78.987%0.87241%0.411SS*.PPolyproline II helixtrans-74132175.4-70.3-174.1179.5178.30.2110.6
85P83.2Confident80Confident61 Ų6179.1 Ų79.140%0.39641%0.411SS..PPolyproline II helixtrans-67.7142.8174.329.4-35.3000111.1Q76 T77 V79Q76-P85 HydrophobicContact CG-CB 3.66Å; Q76-P85 HydrophobicContact CG-CG 4.38Å; T77-P85 WeakPolarHBondContact O-CB 3.22Å; V79-P85 HydrophobicContact CG2-CB 4.14Å
86I85.7Confident78.5Confident36 Ų3679.5 Ų79.519%0.18542%0.415CS..PPolyproline II helixtrans-93.3125.5176-55.3178.1000108.2A9 L11 Q76 T77A9-I86 HydrophobicContact CB-CD1 3.78Å; L11-I86 HydrophobicContact CB-CB 4.18Å; L11-I86 HydrophobicContact CB-CG2 3.63Å; L11-I86 WeakPolarHBondContact CD2-O 3.28Å; Q76-I86 WeakPolarHBondContact CA-O 3.25Å; T77-I86 HydrophobicContact CG2-CB 4.31Å; T77-I86 PolarHBondContact N-O 2.97Å; T77-I86 VanDerWaalsContact N-O 3.1Å; T77-I86 PolarHBondContact OG1-N 3.48Å
87Y89.6Confident76.7Confident116 Ų11683.7 Ų83.746%0.45543%0.434SS..EExtended strand (participates in β ladder)trans-108.6137-178.2179.4-93.4000111.8S74 A75 K89S74-Y87 VanDerWaalsContact CB-OH 3.3Å; S74-Y87 WeakPolarHBondContact CB-OH 3.21Å; A75-Y87 WeakPolarHBondContact O-CA 3.49Å; Y87-K89 HydrophobicContact CE1-CB 3.97Å
88R90.8Very high75Confident124 Ų12489.2 Ų89.247%0.46847%0.468SS..EExtended strand (participates in β ladder)trans-137.8147.2172.2-70.9-66177.4-122.212.7111L11 L13 S74 A75L11-R88 HydrophobicContact CB-CG 3.95Å; L11-R88 HydrophobicContact CD2-CB 4.11Å; L11-R88 HydrophobicContact CD2-CG 4.03Å; L11-R88 HydrophobicContact CG-CB 4.37Å; L11-R88 HydrophobicContact CG-CG 3.94Å; L11-R88 VanDerWaalsContact O-CG 3.24Å; L11-R88 WeakPolarHBondContact O-CG 3.43Å; L11-R88 PolarHBondContact O-NE 2.78Å; L13-R88 HydrophobicContact CB-CB 4.02Å; L13-R88 HydrophobicContact CD2-CB 4.28Å; S74-R88 CarbonylContact C-O 3.59Å; S74-R88 VanDerWaalsContact CA-O 3.25Å; S74-R88 WeakPolarHBondContact CA-O 3.3Å; A75-R88 PolarHBondContact N-O 2.76Å; A75-R88 PolarHBondContact O-N 2.9Å
89K91Very high73.9Confident113 Ų11387 Ų8749%0.49146%0.456SS..EExtended strand (participates in β ladder)trans-135.4136.8178.9-168.9-179.2-170.8174.80110S72 I73 Y87S72-K89 WeakPolarHBondContact OG-CE 3.22Å; S72-K89 PolarHBondContact OG-NZ 3.02Å; I73-K89 CarbonylContact O-C 3.56Å; I73-K89 VanDerWaalsContact O-CA 3.23Å; I73-K89 WeakPolarHBondContact O-CA 3.32Å; Y87-K89 HydrophobicContact CE1-CB 3.97Å
90V88.8Confident73.5Confident39 Ų3990.1 Ų90.124%0.23648%0.476CS..EExtended strand (participates in β ladder)trans-131.3153.7170.2-61.60000109.2L13 A15 I73L13-V90 HydrophobicContact CB-CG1 4.33Å; L13-V90 HydrophobicContact CD2-CG1 4.24Å; L13-V90 HydrophobicContact CD2-CG2 3.88Å; L13-V90 HydrophobicContact CG-CG1 4.24Å; L13-V90 HydrophobicContact CG-CG2 4.01Å; A15-V90 HydrophobicContact CB-CG2 3.91Å; I73-V90 HydrophobicContact CB-CG2 3.84Å; I73-V90 HydrophobicContact CD1-CG2 4.27Å; I73-V90 HydrophobicContact CG2-CG2 4.35Å; I73-V90 PolarHBondContact N-O 2.83Å; I73-V90 PolarHBondContact O-N 3.07Å
91I86.3Confident74.1Confident105 Ų10589 Ų8954%0.53846%0.46SS..EExtended strand (participates in β ladder)trans-114.9135.9175.2-60.2174.1000107.8Y71Y71-I91 VanDerWaalsContact O-CA 3.31Å; Y71-I91 WeakPolarHBondContact O-CA 3.32Å
92V83.6Confident75.5Confident20 Ų2083.3 Ų83.312%0.12143%0.433CS..EExtended strand (participates in β ladder)trans-134.2149.8174.7-61.90000110.3A15 V17 L23 E70 Y71 I73A15-V92 HydrophobicContact CB-CG1 3.55Å; V17-V92 HydrophobicContact CG2-CB 4.23Å; V17-V92 HydrophobicContact CG2-CG2 4.43Å; L23-V92 HydrophobicContact CD2-CG2 3.9Å; E70-V92 CarbonylContact C-O 3.58Å; E70-V92 WeakPolarHBondContact CA-O 3.28Å; Y71-V92 PolarHBondContact N-O 2.91Å; Y71-V92 PolarHBondContact O-N 2.83Å; I73-V92 HydrophobicContact CD1-CG1 4.29Å; I73-V92 HydrophobicContact CD1-CG2 3.65Å; I73-V92 HydrophobicContact CG1-CG2 4.49Å
93Q81Confident76.9Confident114 Ų11479.3 Ų79.353%0.53339%0.391SS..EExtended strand (participates in β ladder)trans-109.7131.1172.2-169.2176.710.400109.5V17 S69 E70V17-Q93 WeakPolarHBondContact CG2-O 2.97Å; S69-Q93 WeakPolarHBondContact O-CA 3.4Å; E70-Q93 HydrophobicContact CG-CB 4.07Å; E70-Q93 HydrophobicContact CG-CG 3.98Å
94T74.6Confident77.8Confident5 Ų572.7 Ų72.73%0.03137%0.365CS..PPolyproline II helixtrans-76155.4176.154.20000112.2I65 K66 P67 S68 S69 Y71I65-T94 HydrophobicContact CB-CG2 4.17Å; I65-T94 HydrophobicContact CD1-CG2 3.22Å; I65-T94 HydrophobicContact CG1-CG2 3.76Å; K66-T94 WeakPolarHBondContact O-CB 3.49Å; K66-T94 PolarHBondContact O-OG1 3.3Å; P67-T94 VanDerWaalsContact C-OG1 3.26Å; S68-T94 WeakPolarHBondContact CA-O 3.37Å; S68-T94 PolarHBondContact N-O 3.38Å; S68-T94 PolarHBondContact N-OG1 2.94Å; S68-T94 VanDerWaalsContact N-OG1 3.12Å; S69-T94 PolarHBondContact N-OG1 3.18Å; S69-T94 PolarHBondContact O-N 3.15Å; S69-T94 PolarHBondContact O-OG1 2.57Å; S69-T94 VanDerWaalsContact O-OG1 3.12Å; Y71-T94 HydrophobicContact CD2-CG2 3.72Å; Y71-T94 HydrophobicContact CE2-CG2 3.64Å
95F64.9Low78.6Confident16 Ų1664.3 Ų64.37%0.0734%0.34CS..PPolyproline II helixtrans-66.3150.9176.8-50-32.9000110.7V17 I18 S20 P67 S68 H137 P208 F209V17-F95 HydrophobicContact CB-CD1 4.32Å; V17-F95 HydrophobicContact CB-CE1 3.69Å; V17-F95 HydrophobicContact CB-CE2 4.3Å; V17-F95 HydrophobicContact CB-CZ 3.67Å; V17-F95 HydrophobicContact CG1-CD1 3.77Å; V17-F95 HydrophobicContact CG1-CD2 3.86Å; V17-F95 HydrophobicContact CG1-CE1 3.56Å; V17-F95 HydrophobicContact CG1-CE2 3.68Å; V17-F95 HydrophobicContact CG1-CG 3.87Å; V17-F95 HydrophobicContact CG1-CZ 3.52Å; V17-F95 WeakPolarHBondContact O-CZ 3.48Å; I18-F95 WeakPolarHBondContact O-CE2 3.34Å; S20-F95 WeakPolarHBondContact CA-O 3.44Å; S20-F95 WeakPolarHBondContact CB-O 3.41Å; P67-F95 CarbonylContact C-O 3.4Å; P67-F95 WeakPolarHBondContact CA-O 3.47Å; P67-F95 VanDerWaalsContact CB-O 3.28Å; P67-F95 WeakPolarHBondContact CB-O 3.12Å; S68-F95 PolarHBondContact N-O 3.31Å; F95-H137 AromaticContact CE1-CE1 3.83Å; F95-H137 AromaticContact CE1-NE2 3.91Å; F95-P208 HydrophobicContact CD1-CB 3.78Å; F95-P208 HydrophobicContact CD1-CG 3.69Å; F95-P208 HydrophobicContact CD2-CB 4.33Å; F95-P208 HydrophobicContact CE1-CB 3.27Å; F95-P208 HydrophobicContact CE1-CG 3.71Å; F95-P208 HydrophobicContact CE2-CB 3.88Å; F95-P208 HydrophobicContact CG-CB 4.32Å; F95-P208 HydrophobicContact CG-CG 4.19Å; F95-P208 HydrophobicContact CZ-CB 3.33Å; F95-P208 HydrophobicContact CZ-CG 4.19Å; F95-F209 HydrophobicContact CD2-CE2 4.31Å; F95-F209 HydrophobicContact CD2-CZ 4.16Å
96G61.5Low79.2Confident9 Ų961.6 Ų61.69%0.09332%0.322CS..PPolyproline II helixtrans-65.4155.1166.900000112.1S68 V98 E99S68-G96 WeakPolarHBondContact OG-CA 3.19Å; G96-V98 PolarHBondContact O-N 3.13Å; G96-E99 PolarHBondContact O-N 2.68Å
97E54Low79.5Confident156 Ų15664.5 Ų64.573%0.72933%0.331SS*.THydrogen-bonded Turntrans-62.3-15.8-176.4-134.3165.5-138.200113.3P67P67-E97 HydrophobicContact CB-CB 4.07Å; P67-E97 HydrophobicContact CB-CG 4.26Å; P67-E97 HydrophobicContact CG-CB 4.03Å; P67-E97 HydrophobicContact CG-CG 3.66Å
98V54.1Low79.6Confident128 Ų12865 Ų6578%0.77634%0.341SS*.THydrogen-bonded Turntrans-117.54.6-171.4-168.50000112.7G96 T100G96-V98 PolarHBondContact O-N 3.13Å; V98-T100 PolarHBondContact O-N 2.89Å; V98-T100 VanDerWaalsContact O-N 3.14Å
99E59.2Low79.9Confident24 Ų2460 Ų6011%0.11232%0.324CS..  trans-78.6106.2178-60-166.6-171.500109.8G96 S135 F209G96-E99 PolarHBondContact O-N 2.68Å; E99-S135 VanDerWaalsContact OE1-CB 3.23Å; E99-S135 WeakPolarHBondContact OE1-CB 3.35Å; E99-S135 PolarHBondContact OE1-N 2.79Å; E99-S135 PolarHBondContact OE1-OG 2.59Å; E99-S135 PolarHBondContact OE2-N 3.18Å; E99-F209 VanDerWaalsContact C-CE2 3.5Å; E99-F209 HydrophobicContact CB-CD2 4.02Å; E99-F209 HydrophobicContact CB-CE2 3.53Å; E99-F209 WeakPolarHBondContact O-CE2 3.24Å; E99-F209 WeakPolarHBondContact O-CZ 3.1Å
100T68.2Low80.1Confident124 Ų12457.1 Ų57.176%0.76132%0.318SS*.  trans-125.80174.249.90000112.4V98V98-T100 PolarHBondContact O-N 2.89Å; V98-T100 VanDerWaalsContact O-N 3.14Å
101A77.9Confident80.4Confident37 Ų3755.7 Ų55.731%0.30631%0.309SS..SBendtrans-131.5158.2-173.300000111.5G133A101-G133 CarbonylContact C-O 3.33Å; A101-G133 PolarHBondContact N-O 2.8Å; A101-G133 CarbonylContact O-C 3.3Å; A101-G133 VanDerWaalsContact O-C 3.23Å
102P85.1Confident80.8Confident56 Ų5659.2 Ų59.236%0.36432%0.315SS..PPolyproline II helixtrans-59.6151.5168.4-20.332.1000110.8G133 K211P102-G133 CarbonylContact O-C 3.52Å; P102-G133 WeakPolarHBondContact O-CA 3.49Å; P102-K211 WeakPolarHBondContact CB-O 3.45Å
103P87.8Confident81.2Confident4 Ų458.6 Ų58.63%0.02631%0.311CS..PPolyproline II helixtrans-59154.9174.827.1-35000111.5V136 A205 S212P103-V136 HydrophobicContact CB-CG2 4Å; P103-A205 HydrophobicContact CB-CB 4.26Å; P103-A205 HydrophobicContact CG-CB 3.9Å; P103-S212 WeakPolarHBondContact O-CA 3.27Å; P103-S212 WeakPolarHBondContact O-CB 3.39Å
104G90.6Very high81.7Confident9 Ų956.6 Ų56.69%0.09330%0.303CS..PPolyproline II helixtrans-61.8167.8168.300000113P129 S132 S212G104-P129 WeakPolarHBondContact O-CB 3.07Å; G104-P129 WeakPolarHBondContact O-CG 3.46Å; G104-S132 PolarHBondContact N-O 3.01Å; G104-S212 VanDerWaalsContact O-CB 3.25Å; G104-S212 WeakPolarHBondContact O-CB 3.46Å
105P93.8Very high82.4Confident54 Ų5457.6 Ų57.635%0.35131%0.308SS..PPolyproline II helixtrans-67.3148.4177.527.3-33.9000112.4P129 T215P105-P129 WeakPolarHBondContact O-CA 3.5Å; P105-P129 WeakPolarHBondContact O-CB 3.46Å; P105-T215 WeakPolarHBondContact CB-OG1 3.07Å
106P94.1Very high83.3Confident4 Ų459.4 Ų59.43%0.02632%0.317CS..PPolyproline II helixtrans-54.8148.5169.7-21.830000112.4W126 Y139 V203 A205 T215P106-W126 HydrophobicContact CB-CB 4.33Å; P106-W126 HydrophobicContact CB-CG 4.31Å; P106-Y139 HydrophobicContact CB-CE1 4.36Å; P106-Y139 HydrophobicContact CG-CD1 4.01Å; P106-Y139 HydrophobicContact CG-CE1 3.98Å; P106-V203 HydrophobicContact CB-CB 4.49Å; P106-V203 HydrophobicContact CB-CG1 4.24Å; P106-V203 HydrophobicContact CG-CB 4.11Å; P106-V203 HydrophobicContact CG-CG1 3.73Å; P106-A205 HydrophobicContact CG-CB 4.23Å; P106-T215 WeakPolarHBondContact CD-OG1 3.18Å; P106-T215 WeakPolarHBondContact O-CB 3.24Å; P106-T215 WeakPolarHBondContact O-CG2 3.45Å; P106-T215 PolarHBondContact O-OG1 3.49Å
107R92.9Very high84.5Confident98 Ų9861.7 Ų61.737%0.3733%0.329SS..EExtended strand (participates in β ladder)trans-103.9161.8-179-67.3-169.9-64.7161.810.2112.7L109 W126 G127 P128R107-L109 PolarHBondContact O-N 2.81Å; R107-W126 CarbonylContact O-C 3.53Å; R107-W126 WeakPolarHBondContact O-CA 3.39Å; R107-W126 WeakPolarHBondContact O-CB 3.43Å; R107-G127 PolarHBondContact N-O 2.98Å; R107-G127 PolarHBondContact O-N 3.49Å; R107-P128 PolarHBondContact NE-O 3.06Å; R107-P128 PolarHBondContact NH2-O 2.96Å
108D92.4Very high86.1Confident125 Ų12557.7 Ų57.767%0.66832%0.318SS*.EExtended strand (participates in β ladder)trans51.336.7167.1-49.6-43.8000113.4S110D108-S110 PolarHBondContact O-N 3.4Å; D108-S110 VanDerWaalsContact O-N 3.08Å
109L95.7Very high87.9Confident21 Ų2152.4 Ų52.411%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-62.2116.1178.7-179.461.9000108.9R107 V124 A125 W126 V203 T215 A217R107-L109 PolarHBondContact O-N 2.81Å; L109-V124 HydrophobicContact CD1-CG1 3.57Å; L109-A125 CarbonylContact C-O 3.5Å; L109-A125 WeakPolarHBondContact CA-O 3.13Å; L109-W126 HydrophobicContact CD1-CB 4.09Å; L109-W126 HydrophobicContact CD1-CE3 4.25Å; L109-V203 HydrophobicContact CD1-CB 4.45Å; L109-V203 HydrophobicContact CD1-CG2 3.52Å; L109-V203 HydrophobicContact CD2-CB 4.49Å; L109-V203 HydrophobicContact CD2-CG2 4.04Å; L109-V203 HydrophobicContact CG-CG2 4.44Å; L109-T215 HydrophobicContact CB-CG2 3.55Å; L109-T215 HydrophobicContact CD2-CG2 3.98Å; L109-T215 WeakPolarHBondContact CD2-O 3.31Å; L109-T215 HydrophobicContact CG-CG2 4.43Å; L109-A217 HydrophobicContact CB-CB 4.41Å; L109-A217 HydrophobicContact CD2-CB 3.84Å; L109-A217 HydrophobicContact CG-CB 3.73Å
110S94.9Very high89.6Confident52 Ų5253.7 Ų53.736%0.36429%0.294SS..EExtended strand (participates in β ladder)trans-133140.7-175.855.90000110.8D108 V124 A125D108-S110 PolarHBondContact O-N 3.4Å; D108-S110 VanDerWaalsContact O-N 3.08Å; S110-V124 CarbonylContact O-C 3.39Å; S110-V124 WeakPolarHBondContact O-CA 3.48Å; S110-A125 PolarHBondContact N-O 2.78Å; S110-A125 PolarHBondContact O-N 3.18Å; S110-A125 PolarHBondContact OG-O 2.89Å
111L96.1Very high90.9Very high8 Ų851.3 Ų51.34%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-111.2136.1173.6-8567000108.4R123 V124 F143 Y199 A201 A217 Q220 C221L111-R123 CarbonylContact C-O 3.52Å; L111-R123 WeakPolarHBondContact CA-O 3.22Å; L111-V124 HydrophobicContact CD1-CG1 4.27Å; L111-V124 HydrophobicContact CD1-CG2 4.36Å; L111-V124 HydrophobicContact CG-CG2 4.14Å; L111-F143 HydrophobicContact CD2-CE2 4.02Å; L111-Y199 WeakPolarHBondContact CD2-O 3.24Å; L111-A201 HydrophobicContact CD1-CB 3.72Å; L111-A201 HydrophobicContact CD2-CB 4.34Å; L111-A201 HydrophobicContact CG-CB 4.38Å; L111-A217 HydrophobicContact CD1-CB 3.53Å; L111-Q220 HydrophobicContact CB-CB 3.76Å; L111-Q220 VanDerWaalsContact O-CB 3.23Å; L111-Q220 WeakPolarHBondContact O-CB 2.97Å; L111-Q220 PolarHBondContact O-OE1 2.91Å; L111-C221 HydrophobicContact CD2-CB 4.34Å
112R93.8Very high91.8Very high180 Ų18049.6 Ų49.668%0.67926%0.259SS*.EExtended strand (participates in β ladder)trans-143.7124.1178.6177.7174172.8179.5-0.3110.8I114 C122 R123R112-I114 PolarHBondContact O-N 2.9Å; R112-C122 CarbonylContact O-C 3.49Å; R112-C122 WeakPolarHBondContact O-CA 3.44Å; R112-R123 PolarHBondContact N-O 2.81Å; R112-R123 PolarHBondContact O-N 2.92Å
113I92.9Very high92.3Very high6 Ų651.6 Ų51.63%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-60.7131.2166.2-66.7-64000108.5D115 Q116 R119 K121 C122 L193 C221I113-D115 VanDerWaalsContact CG2-O 3.29Å; I113-D115 WeakPolarHBondContact CG2-O 3.21Å; I113-Q116 PolarHBondContact O-NE2 3.21Å; I113-R119 HydrophobicContact CD1-CB 4.46Å; I113-R119 HydrophobicContact CG2-CB 4.24Å; I113-R119 HydrophobicContact CG2-CG 4.17Å; I113-K121 WeakPolarHBondContact CA-O 3.41Å; I113-C122 HydrophobicContact CD1-CB 4.4Å; I113-L193 HydrophobicContact CD1-CD2 4.34Å; I113-C221 HydrophobicContact CD1-CB 3.77Å; I113-C221 HydrophobicContact CG1-CB 4.33Å
114I91.5Very high92.7Very high72 Ų7251.4 Ų51.437%0.36926%0.258SS..SBendtrans-93-43.9179.2-50.3175.7000109.3R112 Q116 K121 R123 E189R112-I114 PolarHBondContact O-N 2.9Å; I114-Q116 PolarHBondContact O-N 2.8Å; I114-K121 HydrophobicContact CB-CB 4.24Å; I114-K121 PolarHBondContact N-O 3.38Å; I114-R123 HydrophobicContact CD1-CB 3.81Å; I114-R123 HydrophobicContact CG1-CB 3.92Å; I114-E189 HydrophobicContact CD1-CB 4.33Å; I114-E189 HydrophobicContact CD1-CG 3.89Å
115D88.4Confident92.9Very high26 Ų2651.7 Ų51.714%0.13926%0.259CS..  trans-94.692.8179.565.6-28.4000111.3I113 V117 S118 R119 T120 K121I113-D115 VanDerWaalsContact CG2-O 3.29Å; I113-D115 WeakPolarHBondContact CG2-O 3.21Å; D115-V117 PolarHBondContact O-N 3.34Å; D115-V117 VanDerWaalsContact O-N 3.11Å; D115-S118 WeakPolarHBondContact OD2-CB 3.43Å; D115-S118 PolarHBondContact OD2-OG 2.98Å; D115-R119 WeakPolarHBondContact O-CA 3.32Å; D115-R119 PolarHBondContact O-N 2.89Å; D115-R119 VanDerWaalsContact OD1-CA 3.24Å; D115-R119 WeakPolarHBondContact OD1-CA 3.3Å; D115-R119 PolarHBondContact OD1-N 2.77Å; D115-R119 PolarHBondContact OD2-N 2.95Å; D115-T120 PolarHBondContact OD1-N 3.36Å; D115-T120 WeakPolarHBondContact OD2-CA 3.14Å; D115-T120 WeakPolarHBondContact OD2-CB 3.46Å; D115-T120 PolarHBondContact OD2-N 2.96Å; D115-T120 PolarHBondContact OD2-OG1 3.04Å; D115-K121 HydrophobicContact CB-CB 4.34Å; D115-K121 HydrophobicContact CB-CG 4.49Å; D115-K121 VanDerWaalsContact CG-N 3.34Å; D115-K121 WeakPolarHBondContact OD1-CA 3.48Å; D115-K121 WeakPolarHBondContact OD1-CB 3.48Å; D115-K121 PolarHBondContact OD1-N 2.94Å; D115-K121 PolarHBondContact OD2-N 3.43Å
116Q85.3Confident93Very high54 Ų5449.1 Ų49.125%0.25224%0.243SC..THydrogen-bonded Turntrans-62.6-26.9-169.3-59.4-55.7-71.700114.6I113 I114 R119 Y370 I379I113-Q116 PolarHBondContact O-NE2 3.21Å; I114-Q116 PolarHBondContact O-N 2.8Å; Q116-R119 VanDerWaalsContact O-CG 3.31Å; Q116-R119 WeakPolarHBondContact O-CG 3.49Å; Q116-Y370 WeakPolarHBondContact O-CE1 3.25Å; Q116-I379 HydrophobicContact CB-CD1 3.82Å; Q116-I379 HydrophobicContact CB-CG1 4.5Å
117V85.4Confident92.9Very high58 Ų5849.2 Ų49.235%0.35225%0.245SC..THydrogen-bonded Turntrans-85.7-61.5-176.1-176.80000111.4D115 Y370 W383D115-V117 PolarHBondContact O-N 3.34Å; D115-V117 VanDerWaalsContact O-N 3.11Å; V117-Y370 WeakPolarHBondContact O-CE1 3.46Å; V117-Y370 PolarHBondContact O-OH 3.28Å; V117-W383 HydrophobicContact CG2-CE3 3.86Å; V117-W383 HydrophobicContact CG2-CZ3 4.22Å
118S88.1Confident92.8Very high71 Ų7146.5 Ų46.550%0.49724%0.239SC..THydrogen-bonded Turntrans-75.4-28.1-179.543.10000113.4D115 T120D115-S118 WeakPolarHBondContact OD2-CB 3.43Å; D115-S118 PolarHBondContact OD2-OG 2.98Å; S118-T120 PolarHBondContact O-N 2.8Å
119R92.7Very high92.6Very high17 Ų1741.4 Ų41.46%0.06421%0.213CC..  trans54.433.7178.4-50.9-177.163.595.6-4.9113.8I113 D115 Q116 L222 T223 V369 Y370I113-R119 HydrophobicContact CD1-CB 4.46Å; I113-R119 HydrophobicContact CG2-CB 4.24Å; I113-R119 HydrophobicContact CG2-CG 4.17Å; D115-R119 WeakPolarHBondContact O-CA 3.32Å; D115-R119 PolarHBondContact O-N 2.89Å; D115-R119 VanDerWaalsContact OD1-CA 3.24Å; D115-R119 WeakPolarHBondContact OD1-CA 3.3Å; D115-R119 PolarHBondContact OD1-N 2.77Å; D115-R119 PolarHBondContact OD2-N 2.95Å; Q116-R119 VanDerWaalsContact O-CG 3.31Å; Q116-R119 WeakPolarHBondContact O-CG 3.49Å; R119-L222 VanDerWaalsContact CZ-O 3.22Å; R119-L222 PolarHBondContact NE-O 3.3Å; R119-L222 PolarHBondContact NH2-O 2.71Å; R119-T223 VanDerWaalsContact O-CG2 3.28Å; R119-T223 WeakPolarHBondContact O-CG2 3.35Å; R119-V369 PolarHBondContact NH1-O 3.01Å; R119-V369 PolarHBondContact NH2-O 2.86Å; R119-Y370 HydrophobicContact CG-CE1 4.08Å
120T94.5Very high92Very high52 Ų5245.2 Ų45.232%0.31923%0.233SC..  trans-96.10.5178.963.80000113.8D115 S118 E191 G192 L193D115-T120 PolarHBondContact OD1-N 3.36Å; D115-T120 WeakPolarHBondContact OD2-CA 3.14Å; D115-T120 WeakPolarHBondContact OD2-CB 3.46Å; D115-T120 PolarHBondContact OD2-N 2.96Å; D115-T120 PolarHBondContact OD2-OG1 3.04Å; S118-T120 PolarHBondContact O-N 2.8Å; T120-E191 CarbonylContact O-C 3.56Å; T120-G192 PolarHBondContact O-N 2.9Å; T120-G192 VanDerWaalsContact O-N 3.08Å; T120-L193 WeakPolarHBondContact O-CD1 3.28Å; T120-L193 PolarHBondContact O-N 2.75Å
121K95.9Very high90.7Very high74 Ų7449.3 Ų49.332%0.32226%0.258SS..EExtended strand (participates in β ladder)trans-133.8132-178.5-57.3-167.7-178.7-163.10112.3I113 I114 D115 F190 E191I113-K121 WeakPolarHBondContact CA-O 3.41Å; I114-K121 HydrophobicContact CB-CB 4.24Å; I114-K121 PolarHBondContact N-O 3.38Å; D115-K121 HydrophobicContact CB-CB 4.34Å; D115-K121 HydrophobicContact CB-CG 4.49Å; D115-K121 VanDerWaalsContact CG-N 3.34Å; D115-K121 WeakPolarHBondContact OD1-CA 3.48Å; D115-K121 WeakPolarHBondContact OD1-CB 3.48Å; D115-K121 PolarHBondContact OD1-N 2.94Å; D115-K121 PolarHBondContact OD2-N 3.43Å; K121-F190 CarbonylContact C-O 3.57Å; K121-F190 VanDerWaalsContact CA-O 3.24Å; K121-F190 WeakPolarHBondContact CA-O 3.48Å; K121-E191 HydrophobicContact CD-CG 3.97Å; K121-E191 VanDerWaalsContact CE-OE1 3.27Å; K121-E191 WeakPolarHBondContact CE-OE1 3.3Å; K121-E191 HydrophobicContact CG-CB 4.35Å; K121-E191 HydrophobicContact CG-CG 4.04Å; K121-E191 IonicContact NZ-OE1 2.86Å; K121-E191 PolarHBondContact NZ-OE1 2.87Å; K121-E191 IonicContact NZ-OE2 3.91Å
122C96.2Very high89Confident0 Ų052.2 Ų52.20%028%0.279CS..EExtended strand (participates in β ladder)trans-132.5136.6179.6177.80000111.2R112 I113 F143 E189 F190 L193 C221R112-C122 CarbonylContact O-C 3.49Å; R112-C122 WeakPolarHBondContact O-CA 3.44Å; I113-C122 HydrophobicContact CD1-CB 4.4Å; C122-F143 HydrophobicContact CB-CZ 3.88Å; C122-E189 WeakPolarHBondContact O-CA 3.41Å; C122-F190 PolarHBondContact N-O 2.91Å; C122-F190 PolarHBondContact O-N 2.94Å; C122-L193 HydrophobicContact CB-CD1 4.35Å; C122-L193 HydrophobicContact CB-CD2 3.66Å; C122-C221 HydrophobicContact CB-CB 3.81Å; C122-C221 WeakPolarHBondContact CB-SG 3.41Å; C122-C221 WeakPolarHBondContact SG-CB 3.42Å; C122-C221 CovalentContact SG-SG 2.03Å; C122-C221 PolarHBondContact SG-SG 2.9Å
123R95.7Very high87.5Confident98 Ų9845 Ų4537%0.3726%0.261SS..EExtended strand (participates in β ladder)trans-99.4130.9169.6-174.3178.1-77.4-178.8-4.6109.4L111 R112 I114 F187 C188 E189L111-R123 CarbonylContact C-O 3.52Å; L111-R123 WeakPolarHBondContact CA-O 3.22Å; R112-R123 PolarHBondContact N-O 2.81Å; R112-R123 PolarHBondContact O-N 2.92Å; I114-R123 HydrophobicContact CD1-CB 3.81Å; I114-R123 HydrophobicContact CG1-CB 3.92Å; R123-F187 HydrophobicContact CG-CB 4.2Å; R123-F187 HydrophobicContact CG-CD2 4.17Å; R123-F187 HydrophobicContact CG-CG 4.5Å; R123-C188 WeakPolarHBondContact CA-O 3.4Å; R123-E189 HydrophobicContact CB-CG 4.37Å; R123-E189 HydrophobicContact CG-CG 4.21Å; R123-E189 IonicContact CZ-OE1 3.72Å; R123-E189 IonicContact NE-OE1 2.64Å; R123-E189 PolarHBondContact NE-OE1 3.38Å; R123-E189 IonicContact NH2-OE1 3.04Å; R123-E189 PolarHBondContact NH2-OE1 3.3Å
124V96.4Very high86.3Confident0 Ų046 Ų460%027%0.272CS..EExtended strand (participates in β ladder)trans-106.8120.5167.3-176.70000107.2L109 S110 L111 W126 F143 F187 C188 F190 A201L109-V124 HydrophobicContact CD1-CG1 3.57Å; S110-V124 CarbonylContact O-C 3.39Å; S110-V124 WeakPolarHBondContact O-CA 3.48Å; L111-V124 HydrophobicContact CD1-CG1 4.27Å; L111-V124 HydrophobicContact CD1-CG2 4.36Å; L111-V124 HydrophobicContact CG-CG2 4.14Å; V124-W126 HydrophobicContact CB-CZ3 4.38Å; V124-W126 HydrophobicContact CG1-CE3 3.99Å; V124-W126 HydrophobicContact CG1-CZ3 3.95Å; V124-W126 WeakPolarHBondContact O-CZ3 3.35Å; V124-F143 HydrophobicContact CG2-CD2 3.58Å; V124-F143 HydrophobicContact CG2-CE2 3.73Å; V124-F143 HydrophobicContact CG2-CG 4.41Å; V124-F187 CarbonylContact O-C 3.49Å; V124-F187 WeakPolarHBondContact O-CA 3.4Å; V124-F187 VanDerWaalsContact O-CB 3.28Å; V124-F187 WeakPolarHBondContact O-CB 3.38Å; V124-C188 PolarHBondContact N-O 3.19Å; V124-C188 PolarHBondContact O-N 3.1Å; V124-F190 HydrophobicContact CB-CE2 4.08Å; V124-F190 HydrophobicContact CG2-CD2 3.89Å; V124-F190 HydrophobicContact CG2-CE2 3.52Å; V124-A201 HydrophobicContact CG1-CB 3.74Å; V124-A201 HydrophobicContact CG2-CB 4Å
125A95.2Very high85.8Confident15 Ų1545.2 Ų45.212%0.12427%0.273CS..EExtended strand (participates in β ladder)trans-129.5143.5-178.700000111.2L109 S110 V185 T186 F187L109-A125 CarbonylContact C-O 3.5Å; L109-A125 WeakPolarHBondContact CA-O 3.13Å; S110-A125 PolarHBondContact N-O 2.78Å; S110-A125 PolarHBondContact O-N 3.18Å; S110-A125 PolarHBondContact OG-O 2.89Å; A125-V185 HydrophobicContact CB-CG1 3.97Å; A125-T186 WeakPolarHBondContact CA-O 3.36Å; A125-F187 HydrophobicContact CB-CB 3.87Å
126W95Very high85.7Confident1 Ų145.5 Ų45.50%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-150.4152.1179.162.195.3000111.8P106 R107 L109 V124 Y139 V141 V175 T186 V203P106-W126 HydrophobicContact CB-CB 4.33Å; P106-W126 HydrophobicContact CB-CG 4.31Å; R107-W126 CarbonylContact O-C 3.53Å; R107-W126 WeakPolarHBondContact O-CA 3.39Å; R107-W126 WeakPolarHBondContact O-CB 3.43Å; L109-W126 HydrophobicContact CD1-CB 4.09Å; L109-W126 HydrophobicContact CD1-CE3 4.25Å; V124-W126 HydrophobicContact CB-CZ3 4.38Å; V124-W126 HydrophobicContact CG1-CE3 3.99Å; V124-W126 HydrophobicContact CG1-CZ3 3.95Å; V124-W126 WeakPolarHBondContact O-CZ3 3.35Å; W126-Y139 AromaticContact CD1-CE1 3.94Å; W126-Y139 HydrophobicContact CZ2-CD2 4.07Å; W126-Y139 HydrophobicContact CZ2-CG 4.09Å; W126-Y139 AromaticContact NE1-CD1 3.49Å; W126-Y139 AromaticContact NE1-CD2 3.4Å; W126-Y139 AromaticContact NE1-CE1 3.56Å; W126-Y139 AromaticContact NE1-CE2 3.47Å; W126-Y139 AromaticContact NE1-CG 3.41Å; W126-Y139 AromaticContact NE1-CZ 3.57Å; W126-V141 HydrophobicContact CH2-CG2 3.52Å; W126-V141 HydrophobicContact CZ2-CG2 3.94Å; W126-V141 HydrophobicContact CZ3-CG2 4.17Å; W126-V175 HydrophobicContact CH2-CG1 4.29Å; W126-V175 HydrophobicContact CZ2-CG1 4.08Å; W126-T186 HydrophobicContact CH2-CG2 4Å; W126-T186 HydrophobicContact CZ2-CG2 3.38Å; W126-T186 PolarHBondContact N-O 2.66Å; W126-T186 PolarHBondContact O-N 2.7Å; W126-V203 HydrophobicContact CD2-CG1 4.02Å; W126-V203 HydrophobicContact CD2-CG2 4.19Å; W126-V203 HydrophobicContact CE3-CG2 4.04Å; W126-V203 HydrophobicContact CG-CG1 4.25Å; W126-V203 HydrophobicContact CZ2-CG1 4.22Å; W126-V203 HydrophobicContact CZ3-CG2 4.38Å
127G92Very high85.7Confident6 Ų647 Ų476%0.06228%0.283CS..EExtended strand (participates in β ladder)trans-92.3164.2171.400000112.7R107R107-G127 PolarHBondContact N-O 2.98Å; R107-G127 PolarHBondContact O-N 3.49Å
128P90.3Very high86Confident40 Ų4046.9 Ų46.926%0.2628%0.276SS..PPolyproline II helixtrans-67.9157.4176.330.8-35.6000110.7R107 N184R107-P128 PolarHBondContact NE-O 3.06Å; R107-P128 PolarHBondContact NH2-O 2.96Å; P128-N184 WeakPolarHBondContact CD-O 3.47Å; P128-N184 HydrophobicContact CG-CB 4.4Å
129P89.1Confident86.3Confident18 Ų1843.7 Ų43.712%0.11725%0.253CS..PPolyproline II helixtrans-56.6152.8171.3-22.233.9000112.4G104 P105 V136 A205G104-P129 WeakPolarHBondContact O-CB 3.07Å; G104-P129 WeakPolarHBondContact O-CG 3.46Å; P105-P129 WeakPolarHBondContact O-CA 3.5Å; P105-P129 WeakPolarHBondContact O-CB 3.46Å; P129-V136 HydrophobicContact CG-CG2 3.87Å; P129-A205 HydrophobicContact CG-CB 4.26Å
130I82.7Confident86.4Confident102 Ų10244.3 Ų44.352%0.52326%0.258SS..PPolyproline II helixtrans-63.7142.5162.9-72.7152.2000107.4S132I130-S132 VanDerWaalsContact C-N 3.34Å; I130-S132 PolarHBondContact O-N 3Å; I130-S132 PolarHBondContact O-OG 3.09Å
131P68.3Low86.6Confident137 Ų13742.1 Ų42.189%0.8924%0.244SC*.SBendtrans-53.795178.8-21.428.2000111.7
132S60.4Low86.6Confident69 Ų6941.5 Ų41.548%0.48324%0.244SC..SBendtrans-158.2128.6172.764.60000105.7G104 I130G104-S132 PolarHBondContact N-O 3.01Å; I130-S132 VanDerWaalsContact C-N 3.34Å; I130-S132 PolarHBondContact O-N 3Å; I130-S132 PolarHBondContact O-OG 3.09Å
133G61.3Low86.6Confident29 Ų2941.6 Ų41.630%0.29925%0.245SC..SBendtrans103.7-63.3174.700000115.2A101 P102A101-G133 CarbonylContact C-O 3.33Å; A101-G133 PolarHBondContact N-O 2.8Å; A101-G133 CarbonylContact O-C 3.3Å; A101-G133 VanDerWaalsContact O-C 3.23Å; P102-G133 CarbonylContact O-C 3.52Å; P102-G133 WeakPolarHBondContact O-CA 3.49Å
134G69.2Low86.6Confident26 Ų2639.6 Ų39.627%0.26824%0.238SC..  trans163.4-175.5-178.700000112.8
135S79.9Confident86.5Confident56 Ų5639.6 Ų39.639%0.39224%0.238SC..  trans-75.6146.6-178.6-65.80000111.9E99 G207E99-S135 VanDerWaalsContact OE1-CB 3.23Å; E99-S135 WeakPolarHBondContact OE1-CB 3.35Å; E99-S135 PolarHBondContact OE1-N 2.79Å; E99-S135 PolarHBondContact OE1-OG 2.59Å; E99-S135 PolarHBondContact OE2-N 3.18Å; S135-G207 WeakPolarHBondContact O-CA 3.33Å
136V86Confident86.3Confident33 Ų3341.9 Ų41.920%0.225%0.249CC..  trans-89.3119.6175.8-176.20000109.6P103 P129 Y139 P177 A205P103-V136 HydrophobicContact CB-CG2 4Å; P129-V136 HydrophobicContact CG-CG2 3.87Å; V136-Y139 HydrophobicContact CG1-CD1 4.27Å; V136-Y139 HydrophobicContact CG1-CD2 4.46Å; V136-Y139 HydrophobicContact CG1-CE1 3.83Å; V136-Y139 HydrophobicContact CG1-CE2 4.05Å; V136-P177 HydrophobicContact CB-CG 4.29Å; V136-P177 HydrophobicContact CG1-CG 3.96Å; V136-A205 HydrophobicContact CG1-CB 4.17Å; V136-A205 HydrophobicContact CG2-CB 4.07Å
137H85.6Confident86.1Confident85 Ų8543.6 Ų43.639%0.39426%0.26SS..  trans-82.5-44.5172.8-70.9-169.9000111.5F95 P177 V206F95-H137 AromaticContact CE1-CE1 3.83Å; F95-H137 AromaticContact CE1-NE2 3.91Å; H137-P177 WeakPolarHBondContact O-CD 3.41Å; H137-V206 PolarHBondContact N-O 2.73Å
138Y90.8Very high85.9Confident56 Ų5646.6 Ų46.622%0.2227%0.27CS..EExtended strand (participates in β ladder)trans-159.7167.6178.264.2-89.4000111.2M140 H173 H174 V175 V206Y138-M140 HydrophobicContact CD2-CG 4.37Å; Y138-M140 HydrophobicContact CE2-CG 3.88Å; Y138-H173 WeakPolarHBondContact CD2-O 3.47Å; Y138-H173 WeakPolarHBondContact CE2-O 3.31Å; Y138-H174 AromaticContact CD1-CD2 3.56Å; Y138-H174 AromaticContact CD1-NE2 3.38Å; Y138-H174 WeakPolarHBondContact CD1-NE2 3.46Å; Y138-H174 HydrophobicContact CD2-CB 4.34Å; Y138-H174 AromaticContact CD2-CD2 3.93Å; Y138-H174 AromaticContact CE1-CD2 3.85Å; Y138-H174 AromaticContact CE1-NE2 3.92Å; Y138-H174 AromaticContact CG-CD2 3.6Å; Y138-H174 AromaticContact CG-CG 3.92Å; Y138-H174 AromaticContact CG-NE2 3.71Å; Y138-V175 CarbonylContact C-O 3.53Å; Y138-V175 WeakPolarHBondContact CA-O 3.25Å; Y138-V206 HydrophobicContact CD1-CB 4.26Å; Y138-V206 HydrophobicContact CD2-CB 4.06Å; Y138-V206 HydrophobicContact CD2-CG2 4.02Å; Y138-V206 HydrophobicContact CE1-CB 3.91Å; Y138-V206 HydrophobicContact CE1-CG1 3.81Å; Y138-V206 HydrophobicContact CE2-CB 3.72Å; Y138-V206 HydrophobicContact CE2-CG1 4.15Å; Y138-V206 HydrophobicContact CE2-CG2 3.52Å; Y138-V206 HydrophobicContact CG-CB 4.33Å; Y138-V206 PolarHBondContact N-O 2.8Å; Y138-V206 PolarHBondContact O-N 2.99Å
139Y94.9Very high85.5Confident3 Ų350.9 Ų50.91%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-108.3144.6171.1-58-82000110.9P106 W126 V136 V175 P177 T186 V203 V204 A205P106-Y139 HydrophobicContact CB-CE1 4.36Å; P106-Y139 HydrophobicContact CG-CD1 4.01Å; P106-Y139 HydrophobicContact CG-CE1 3.98Å; W126-Y139 AromaticContact CD1-CE1 3.94Å; W126-Y139 HydrophobicContact CZ2-CD2 4.07Å; W126-Y139 HydrophobicContact CZ2-CG 4.09Å; W126-Y139 AromaticContact NE1-CD1 3.49Å; W126-Y139 AromaticContact NE1-CD2 3.4Å; W126-Y139 AromaticContact NE1-CE1 3.56Å; W126-Y139 AromaticContact NE1-CE2 3.47Å; W126-Y139 AromaticContact NE1-CG 3.41Å; W126-Y139 AromaticContact NE1-CZ 3.57Å; V136-Y139 HydrophobicContact CG1-CD1 4.27Å; V136-Y139 HydrophobicContact CG1-CD2 4.46Å; V136-Y139 HydrophobicContact CG1-CE1 3.83Å; V136-Y139 HydrophobicContact CG1-CE2 4.05Å; Y139-V175 PolarHBondContact N-O 3.15Å; Y139-V175 PolarHBondContact O-N 2.88Å; Y139-P177 HydrophobicContact CD2-CG 4.36Å; Y139-P177 HydrophobicContact CE2-CB 3.95Å; Y139-P177 HydrophobicContact CE2-CG 3.79Å; Y139-T186 HydrophobicContact CD2-CG2 4.41Å; Y139-V203 HydrophobicContact CD1-CG1 3.95Å; Y139-V203 HydrophobicContact CG-CG1 4.28Å; Y139-V204 CarbonylContact C-O 3.54Å; Y139-V204 VanDerWaalsContact CA-O 3.31Å; Y139-V204 WeakPolarHBondContact CA-O 3.28Å; Y139-A205 HydrophobicContact CD1-CB 3.99Å; Y139-A205 HydrophobicContact CE1-CB 3.84Å
140M96.3Very high84.4Confident31 Ų3155.4 Ų55.415%0.15330%0.3CS..EExtended strand (participates in β ladder)trans-100.4131.3161-60.9174.5-6600108.6Y138 L172 H173 V203 V204 V206 K211Y138-M140 HydrophobicContact CD2-CG 4.37Å; Y138-M140 HydrophobicContact CE2-CG 3.88Å; M140-L172 CarbonylContact C-O 3.53Å; M140-L172 WeakPolarHBondContact CA-O 3.34Å; M140-H173 WeakPolarHBondContact CG-O 3.47Å; M140-V203 WeakPolarHBondContact O-CA 3.34Å; M140-V204 HydrophobicContact CB-CB 4.48Å; M140-V204 HydrophobicContact CE-CB 3.77Å; M140-V204 HydrophobicContact CE-CG1 3.53Å; M140-V204 PolarHBondContact N-O 3.31Å; M140-V204 PolarHBondContact O-N 2.81Å; M140-V206 HydrophobicContact CE-CG2 3.44Å; M140-V206 VanDerWaalsContact CE-CG2 3.44Å; M140-V206 HydrophobicContact CG-CG2 4.03Å; M140-V206 HydrophobicContact SD-CG2 4.16Å; M140-K211 HydrophobicContact CE-CD 3.5Å; M140-K211 VanDerWaalsContact CE-CE 3.47Å; M140-K211 HydrophobicContact CE-CG 4Å
141V97Very high83.3Confident6 Ų653.2 Ų53.24%0.03629%0.291CS..EExtended strand (participates in β ladder)trans-119.4122.8-179.9-176.60000108.1W126 L172 V175 F190 T202 V203W126-V141 HydrophobicContact CH2-CG2 3.52Å; W126-V141 HydrophobicContact CZ2-CG2 3.94Å; W126-V141 HydrophobicContact CZ3-CG2 4.17Å; V141-L172 HydrophobicContact CB-CB 4.42Å; V141-L172 HydrophobicContact CB-CD2 4.25Å; V141-L172 HydrophobicContact CG1-CD2 4.45Å; V141-L172 PolarHBondContact N-O 2.87Å; V141-L172 WeakPolarHBondContact O-CB 3.21Å; V141-V175 HydrophobicContact CG2-CG2 3.96Å; V141-F190 HydrophobicContact CG1-CZ 4.22Å; V141-T202 WeakPolarHBondContact CA-O 3.44Å; V141-V203 HydrophobicContact CG1-CG2 4.44Å; V141-V203 HydrophobicContact CG2-CG1 4.36Å; V141-V203 HydrophobicContact CG2-CG2 4.34Å
142D95.7Very high82.6Confident60 Ų6052.9 Ų52.932%0.32129%0.286SS..EExtended strand (participates in β ladder)trans-108122.7164.8-173.628.6000107.8Y144 R163 A201 T202D142-Y144 WeakPolarHBondContact OD2-CD1 3.2Å; D142-R163 IonicContact OD1-CZ 2.95Å; D142-R163 IonicContact OD1-NE 2.66Å; D142-R163 PolarHBondContact OD1-NE 3.22Å; D142-R163 VanDerWaalsContact OD1-NE 3.1Å; D142-R163 IonicContact OD1-NH2 3.22Å; D142-R163 IonicContact OD2-NH2 2.69Å; D142-A201 CarbonylContact O-C 3.51Å; D142-A201 VanDerWaalsContact O-CA 3.26Å; D142-A201 WeakPolarHBondContact O-CA 3.44Å; D142-T202 PolarHBondContact N-O 3.11Å; D142-T202 PolarHBondContact O-N 3.18Å
143F96.7Very high82.4Confident3 Ų356.3 Ų56.31%0.01330%0.295CS..EExtended strand (participates in β ladder)trans-129.4119.6179.9-178.8-104.3000108.9L111 C122 V124 P164 F190 Y199 S200 A201L111-F143 HydrophobicContact CD2-CE2 4.02Å; C122-F143 HydrophobicContact CB-CZ 3.88Å; V124-F143 HydrophobicContact CG2-CD2 3.58Å; V124-F143 HydrophobicContact CG2-CE2 3.73Å; V124-F143 HydrophobicContact CG2-CG 4.41Å; F143-P164 HydrophobicContact CD1-CG 3.62Å; F143-P164 HydrophobicContact CE1-CG 3.53Å; F143-F190 HydrophobicContact CB-CD1 4.24Å; F143-F190 HydrophobicContact CB-CE1 3.61Å; F143-F190 HydrophobicContact CB-CE2 3.98Å; F143-F190 HydrophobicContact CB-CZ 3.47Å; F143-F190 VanDerWaalsContact CB-CZ 3.47Å; F143-F190 HydrophobicContact CD1-CB 3.95Å; F143-F190 AromaticContact CD1-CD1 3.37Å; F143-F190 HydrophobicContact CD1-CD1 3.37Å; F143-F190 AromaticContact CD1-CD2 3.76Å; F143-F190 HydrophobicContact CD1-CD2 3.76Å; F143-F190 AromaticContact CD1-CE1 3.68Å; F143-F190 HydrophobicContact CD1-CE1 3.68Å; F143-F190 HydrophobicContact CD1-CE2 4.07Å; F143-F190 AromaticContact CD1-CG 3.4Å; F143-F190 HydrophobicContact CD1-CG 3.4Å; F143-F190 HydrophobicContact CD1-CZ 4.03Å; F143-F190 HydrophobicContact CD2-CD2 4.27Å; F143-F190 HydrophobicContact CD2-CE2 4.19Å; F143-F190 HydrophobicContact CE1-CB 3.58Å; F143-F190 AromaticContact CE1-CD1 3.96Å; F143-F190 HydrophobicContact CE1-CD1 3.96Å; F143-F190 AromaticContact CE1-CD2 3.92Å; F143-F190 HydrophobicContact CE1-CD2 3.92Å; F143-F190 AromaticContact CE1-CG 3.54Å; F143-F190 HydrophobicContact CE1-CG 3.54Å; F143-F190 HydrophobicContact CE2-CD2 4.42Å; F143-F190 HydrophobicContact CG-CD1 4Å; F143-F190 AromaticContact CG-CD2 3.94Å; F143-F190 HydrophobicContact CG-CD2 3.94Å; F143-F190 AromaticContact CG-CE1 3.86Å; F143-F190 HydrophobicContact CG-CE1 3.86Å; F143-F190 AromaticContact CG-CE2 3.82Å; F143-F190 HydrophobicContact CG-CE2 3.82Å; F143-F190 HydrophobicContact CG-CG 4.03Å; F143-F190 AromaticContact CG-CZ 3.77Å; F143-F190 HydrophobicContact CG-CZ 3.77Å; F143-F190 HydrophobicContact CZ-CB 4.29Å; F143-F190 HydrophobicContact CZ-CD2 4.25Å; F143-F190 HydrophobicContact CZ-CG 4.28Å; F143-Y199 HydrophobicContact CD1-CD1 4.09Å; F143-Y199 AromaticContact CE1-CD1 3.35Å; F143-Y199 HydrophobicContact CE1-CD1 3.35Å; F143-Y199 AromaticContact CE1-CE1 3.82Å; F143-Y199 HydrophobicContact CE1-CE1 3.82Å; F143-Y199 HydrophobicContact CE1-CG 4.13Å; F143-Y199 HydrophobicContact CE2-CD1 4.17Å; F143-Y199 HydrophobicContact CE2-CG 4.39Å; F143-Y199 AromaticContact CZ-CD1 3.4Å; F143-Y199 HydrophobicContact CZ-CD1 3.4Å; F143-Y199 HydrophobicContact CZ-CE1 4.26Å; F143-Y199 AromaticContact CZ-CG 3.72Å; F143-Y199 HydrophobicContact CZ-CG 3.72Å; F143-S200 WeakPolarHBondContact CA-O 3.21Å; F143-S200 WeakPolarHBondContact CD2-O 3.4Å; F143-A201 HydrophobicContact CD2-CB 3.95Å
144Y95.2Very high81.9Confident56 Ų5656.5 Ų56.522%0.2230%0.296CS..EExtended strand (participates in β ladder)trans-146.3149.3-172.762.1-93.8000112.3D142 V146 L161 H162 Y199 S200D142-Y144 WeakPolarHBondContact OD2-CD1 3.2Å; Y144-V146 HydrophobicContact CD2-CG2 4.05Å; Y144-V146 HydrophobicContact CE2-CG2 4.07Å; Y144-L161 HydrophobicContact CD2-CD1 4.36Å; Y144-L161 HydrophobicContact CD2-CD2 3.68Å; Y144-L161 HydrophobicContact CD2-CG 4.49Å; Y144-L161 HydrophobicContact CE2-CD2 4.21Å; Y144-L161 HydrophobicContact CG-CD1 4.44Å; Y144-L161 HydrophobicContact CG-CD2 4.4Å; Y144-H162 CarbonylContact C-O 3.6Å; Y144-H162 VanDerWaalsContact CA-O 3.27Å; Y144-H162 WeakPolarHBondContact CA-O 3.36Å; Y144-Y199 VanDerWaalsContact O-CA 3.31Å; Y144-Y199 WeakPolarHBondContact O-CA 3.31Å; Y144-S200 PolarHBondContact N-O 3.18Å; Y144-S200 VanDerWaalsContact N-O 3.07Å; Y144-S200 PolarHBondContact O-N 3Å
145G94.4Very high81.1Confident0 Ų061.1 Ų61.10%032%0.319CS..EExtended strand (participates in β ladder)trans-110.5136.1176.300000112.1H162 N198G145-H162 PolarHBondContact N-O 3.22Å; G145-H162 PolarHBondContact O-N 3.18Å; G145-N198 WeakPolarHBondContact CA-O 3.2Å
146V91.8Very high79.7Confident62 Ų6268.9 Ų68.938%0.37634%0.34SS..EExtended strand (participates in β ladder)trans-113.5141.7175-173.30000109.9Y144 R148 L161 R197 N198Y144-V146 HydrophobicContact CD2-CG2 4.05Å; Y144-V146 HydrophobicContact CE2-CG2 4.07Å; V146-R148 PolarHBondContact O-N 3.15Å; V146-L161 HydrophobicContact CG2-CD2 3.59Å; V146-R197 CarbonylContact O-C 3.58Å; V146-R197 WeakPolarHBondContact O-CA 3.49Å; V146-R197 WeakPolarHBondContact O-CD 3.36Å; V146-N198 PolarHBondContact N-O 3.43Å; V146-N198 PolarHBondContact O-N 2.83Å
147V90.9Very high78.1Confident38 Ų3869.6 Ų69.623%0.2334%0.344CS..EExtended strand (participates in β ladder)trans-55.2128.4174-175.90000109.7N196 R197 I256V147-N196 WeakPolarHBondContact CA-O 3.33Å; V147-R197 VanDerWaalsContact CG2-NH1 3.34Å; V147-I256 HydrophobicContact CG2-CD1 4.44Å; V147-I256 HydrophobicContact CG2-CG1 4.13Å
148R88.6Confident76.4Confident68 Ų6868 Ų6826%0.25735%0.351SS..SBendtrans-83.6-54.4-178.6-74.8168.560-141-8.3112.8V146 N196 R197 N198 T223 D366V146-R148 PolarHBondContact O-N 3.15Å; R148-N196 PolarHBondContact N-O 2.99Å; R148-R197 VanDerWaalsContact CD-C 3.42Å; R148-R197 VanDerWaalsContact CD-O 3.3Å; R148-R197 WeakPolarHBondContact CD-O 3.39Å; R148-N198 HydrophobicContact CG-CB 3.66Å; R148-T223 PolarHBondContact NH1-O 3.32Å; R148-D366 IonicContact CZ-OD2 3.97Å; R148-D366 VanDerWaalsContact CZ-OD2 3.22Å; R148-D366 IonicContact NH1-OD2 3.75Å; R148-D366 PolarHBondContact NH1-OD2 2.9Å; R148-D366 IonicContact NH2-OD2 3.1Å; R148-D366 PolarHBondContact NH2-OD2 3.33Å
149R80Confident75Confident131 Ų13172.4 Ų72.449%0.49438%0.378SS..  trans-115.9119.1178.3-67.3-166.9-176.1-167.9-1108.5N196R149-N196 PolarHBondContact N-OD1 3.02Å; R149-N196 VanDerWaalsContact N-OD1 3.15Å; R149-N196 PolarHBondContact O-ND2 2.95Å
150Q67.3Low74Confident113 Ų11379.5 Ų79.553%0.52841%0.412SS..  trans-100.4117.3169.6-169.1164.517.900106.8
151V59.1Low73.7Confident55 Ų5581 Ų8133%0.33342%0.42SS..  trans-88.2152174173.90000108.1H153 D255 P259V151-H153 PolarHBondContact O-N 2.87Å; V151-H153 VanDerWaalsContact O-N 3.15Å; V151-D255 HydrophobicContact CB-CB 4.42Å; V151-D255 WeakPolarHBondContact CB-OD2 3.37Å; V151-D255 WeakPolarHBondContact CG1-OD2 3.06Å; V151-P259 HydrophobicContact CG2-CB 4.34Å
152V54.2Low73.6Confident130 Ų13082.9 Ų82.979%0.78843%0.428SS*.SBendtrans-67.2-16.3-158.3178.70000113.1
153H55.3Low73.5Confident142 Ų14286.4 Ų86.466%0.65744%0.437SS*.SBendtrans-106.258.6-174.8-66.5-51.9000112.3V151V151-H153 PolarHBondContact O-N 2.87Å; V151-H153 VanDerWaalsContact O-N 3.15Å
154G51.6Low73.4Confident32 Ų3286.7 Ų86.733%0.3344%0.439SS..SBendtrans-157.7145.2176.900000111.4R156G154-R156 PolarHBondContact O-N 3.04Å
155V52.2Low73.3Confident123 Ų12392.9 Ų92.975%0.74547%0.467SS*.  trans-42.6127.5168.5176.30000107.5T157V155-T157 HydrophobicContact CG1-CG2 4.38Å; V155-T157 PolarHBondContact O-N 2.8Å
156R49.4Very low73.4Confident220 Ų22093.9 Ų93.983%0.8347%0.474SS*.  trans-60.686.8165.3-76.6-176.4177.8-175.20106.5G154 G158G154-R156 PolarHBondContact O-N 3.04Å; R156-G158 PolarHBondContact O-N 2.87Å
157T52.2Low73.5Confident47 Ų4794.1 Ų94.129%0.28848%0.479SS..  trans-69.379.4168.652.50000104.7V155 N159 I256V155-T157 HydrophobicContact CG1-CG2 4.38Å; V155-T157 PolarHBondContact O-N 2.8Å; T157-N159 PolarHBondContact O-N 2.83Å; T157-N159 VanDerWaalsContact O-N 3.09Å; T157-I256 HydrophobicContact CG2-CD1 4.16Å; T157-I256 WeakPolarHBondContact OG1-CD1 3.43Å
158G51.6Low73.6Confident52 Ų5295.1 Ų95.154%0.53648%0.483SS..THydrogen-bonded Turntrans-52.6120.3-173.200000108.2R156 Q160R156-G158 PolarHBondContact O-N 2.87Å; G158-Q160 PolarHBondContact O-N 3.03Å
159N60.2Low73.9Confident149 Ų14992.6 Ų92.680%0.79748%0.475SS*.THydrogen-bonded Turntrans45.927.1160.3-58.8-13.9000116.7T157 L161T157-N159 PolarHBondContact O-N 2.83Å; T157-N159 VanDerWaalsContact O-N 3.09Å; N159-L161 VanDerWaalsContact C-N 3.3Å; N159-L161 PolarHBondContact O-N 2.99Å
160Q75.3Confident74.2Confident152 Ų15298.7 Ų98.771%0.7150%0.498SS*.  trans-71.593.5177.4-78.1-168.2-300108.6G158 H162G158-Q160 PolarHBondContact O-N 3.03Å; Q160-H162 PolarHBondContact O-N 2.71Å
161L89.7Confident75.4Confident63 Ų6397.3 Ų97.333%0.3349%0.494SS..  trans-65.5118.7175.4-64.2-179.6000108.9Y144 V146 N159Y144-L161 HydrophobicContact CD2-CD1 4.36Å; Y144-L161 HydrophobicContact CD2-CD2 3.68Å; Y144-L161 HydrophobicContact CD2-CG 4.49Å; Y144-L161 HydrophobicContact CE2-CD2 4.21Å; Y144-L161 HydrophobicContact CG-CD1 4.44Å; Y144-L161 HydrophobicContact CG-CD2 4.4Å; V146-L161 HydrophobicContact CG2-CD2 3.59Å; N159-L161 VanDerWaalsContact C-N 3.3Å; N159-L161 PolarHBondContact O-N 2.99Å
162H93.4Very high77Confident45 Ų4596.5 Ų96.521%0.20849%0.488CS..BIsolated β-bridgetrans-83.1121.2172.4173.9-125.1000110Y144 G145 Q160 P164 G192 L194 Y199Y144-H162 CarbonylContact C-O 3.6Å; Y144-H162 VanDerWaalsContact CA-O 3.27Å; Y144-H162 WeakPolarHBondContact CA-O 3.36Å; G145-H162 PolarHBondContact N-O 3.22Å; G145-H162 PolarHBondContact O-N 3.18Å; Q160-H162 PolarHBondContact O-N 2.71Å; H162-P164 WeakPolarHBondContact O-CD 3.34Å; H162-G192 PolarHBondContact CE1-O 3.22Å; H162-G192 VanDerWaalsContact CE1-O 3.32Å; H162-L194 HydrophobicContact CB-CD1 3.98Å; H162-Y199 PolarHBondContact CE1-OH 2.68Å; H162-Y199 VanDerWaalsContact CE1-OH 3.3Å; H162-Y199 AromaticContact ND1-CE1 4Å; H162-Y199 AromaticContact ND1-CZ 3.73Å; H162-Y199 PolarHBondContact ND1-OH 3.16Å
163R94.8Very high78.9Confident134 Ų13496.8 Ų96.851%0.50648%0.48SS..  trans-114.292.8179-68.5-171.1173.682.6-0.7110.7D142D142-R163 IonicContact OD1-CZ 2.95Å; D142-R163 IonicContact OD1-NE 2.66Å; D142-R163 PolarHBondContact OD1-NE 3.22Å; D142-R163 VanDerWaalsContact OD1-NE 3.1Å; D142-R163 IonicContact OD1-NH2 3.22Å; D142-R163 IonicContact OD2-NH2 2.69Å
164P94.4Very high80.6Confident9 Ų994.4 Ų94.46%0.05847%0.469CS..PPolyproline II helixtrans-69.7155.517827.7-32.1000111.1F143 H162 F190 E191 L193 Y199F143-P164 HydrophobicContact CD1-CG 3.62Å; F143-P164 HydrophobicContact CE1-CG 3.53Å; H162-P164 WeakPolarHBondContact O-CD 3.34Å; P164-F190 HydrophobicContact CG-CB 4.18Å; P164-F190 HydrophobicContact CG-CD1 4.21Å; P164-E191 WeakPolarHBondContact CB-O 3.24Å; P164-L193 HydrophobicContact CG-CD1 4.48Å; P164-Y199 HydrophobicContact CG-CE1 3.87Å
165K93.9Very high82.5Confident185 Ų18593.4 Ų93.480%0.80446%0.457SS*.PPolyproline II helixtrans-78149174.3-66.2-178.1-179176.80110.1
166S95.9Very high84.3Confident21 Ų2192.1 Ų92.115%0.14745%0.449CS..BIsolated β-bridgetrans-85.3140.1171.7177.40000111.3N168 C169 E189S166-N168 PolarHBondContact OG-N 3.04Å; S166-N168 PolarHBondContact OG-OD1 3.28Å; S166-C169 WeakPolarHBondContact CB-O 3.44Å; S166-C169 WeakPolarHBondContact OG-CB 3.26Å; S166-C169 PolarHBondContact OG-N 3.22Å; S166-E189 CarbonylContact C-O 3.58Å; S166-E189 WeakPolarHBondContact CA-O 3.25Å; S166-E189 VanDerWaalsContact CB-O 3.28Å; S166-E189 WeakPolarHBondContact CB-O 3.32Å; S166-E189 PolarHBondContact OG-O 3.44Å
167S94.3Very high86.1Confident68 Ų6883.4 Ų83.448%0.47642%0.422SS..SBendtrans-77-29.7177.457.10000112.9E189S167-E189 PolarHBondContact N-O 3.38Å; S167-E189 WeakPolarHBondContact OG-CB 3.38Å; S167-E189 PolarHBondContact OG-O 3.37Å
168N93Very high87.4Confident59 Ų5986.4 Ų86.432%0.31643%0.427SS..SBendtrans-116.7-17.6-175.571.6-29.8000114S166 F187 C188 E189S166-N168 PolarHBondContact OG-N 3.04Å; S166-N168 PolarHBondContact OG-OD1 3.28Å; N168-F187 WeakPolarHBondContact ND2-CD2 3.4Å; N168-F187 VanDerWaalsContact ND2-CE2 3.3Å; N168-F187 WeakPolarHBondContact ND2-CE2 3.06Å; N168-F187 PolarHBondContact ND2-O 2.96Å; N168-C188 VanDerWaalsContact OD1-CA 3.29Å; N168-C188 WeakPolarHBondContact OD1-CA 3.44Å; N168-E189 PolarHBondContact OD1-N 2.92Å
169C93.2Very high87.8Confident14 Ų1488.8 Ų88.810%0.09544%0.436CS..  trans-104.1104.1174-64.90000110.4S166 L172 V175 C188S166-C169 WeakPolarHBondContact CB-O 3.44Å; S166-C169 WeakPolarHBondContact OG-CB 3.26Å; S166-C169 PolarHBondContact OG-N 3.22Å; C169-L172 HydrophobicContact CB-CD2 3.96Å; C169-V175 HydrophobicContact CB-CG2 4.26Å; C169-C188 HydrophobicContact CB-CB 3.85Å; C169-C188 WeakPolarHBondContact CB-SG 3.5Å; C169-C188 WeakPolarHBondContact SG-CA 3.33Å; C169-C188 WeakPolarHBondContact SG-CB 3.34Å; C169-C188 CovalentContact SG-SG 2.03Å; C169-C188 PolarHBondContact SG-SG 3.3Å
170R87.8Confident87.4Confident260 Ų26090.4 Ų90.498%0.98144%0.439SS*.SBendtrans-66.8-40.1-176.1-66.4-176.9-179.6178.90.4113.7
171N91.1Very high86.5Confident83 Ų8384.7 Ų84.744%0.44442%0.417SS..  trans-127106.2178.5-175.4-1000109.6H173 H174 V175N171-H173 PolarHBondContact O-N 3.14Å; N171-H173 WeakPolarHBondContact OD1-CB 3.22Å; N171-H173 PolarHBondContact OD1-N 3.09Å; N171-H174 HydrophobicContact CB-CB 4.38Å; N171-H174 CarbonylContact O-C 3.57Å; N171-H174 PolarHBondContact O-N 3.04Å; N171-V175 WeakPolarHBondContact O-CG2 3.35Å
172L94.3Very high85Confident39 Ų3991.6 Ų91.620%0.20445%0.445CS..THydrogen-bonded Turntrans-67.5-20.8179.3-63.1174.1000112.8M140 V141 C169 H174 F190M140-L172 CarbonylContact C-O 3.53Å; M140-L172 WeakPolarHBondContact CA-O 3.34Å; V141-L172 HydrophobicContact CB-CB 4.42Å; V141-L172 HydrophobicContact CB-CD2 4.25Å; V141-L172 HydrophobicContact CG1-CD2 4.45Å; V141-L172 PolarHBondContact N-O 2.87Å; V141-L172 WeakPolarHBondContact O-CB 3.21Å; C169-L172 HydrophobicContact CB-CD2 3.96Å; L172-H174 VanDerWaalsContact C-N 3.26Å; L172-F190 HydrophobicContact CD1-CE1 3.79Å; L172-F190 HydrophobicContact CD1-CZ 4.34Å; L172-F190 HydrophobicContact CD2-CE1 3.9Å; L172-F190 HydrophobicContact CD2-CZ 3.77Å
173H92.8Very high83.8Confident135 Ų13595.7 Ų95.763%0.62547%0.468SS*.THydrogen-bonded Turntrans-81.7-5.3172.2-62.7-69.5000113.2Y138 M140 N171Y138-H173 WeakPolarHBondContact CD2-O 3.47Å; Y138-H173 WeakPolarHBondContact CE2-O 3.31Å; M140-H173 WeakPolarHBondContact CG-O 3.47Å; N171-H173 PolarHBondContact O-N 3.14Å; N171-H173 WeakPolarHBondContact OD1-CB 3.22Å; N171-H173 PolarHBondContact OD1-N 3.09Å
174H91.7Very high83.1Confident92 Ų9293.3 Ų93.343%0.42647%0.466SS..SBendtrans-151.770.6-178-162.5-67.4000111.4Y138 N171 L172Y138-H174 AromaticContact CD1-CD2 3.56Å; Y138-H174 AromaticContact CD1-NE2 3.38Å; Y138-H174 WeakPolarHBondContact CD1-NE2 3.46Å; Y138-H174 HydrophobicContact CD2-CB 4.34Å; Y138-H174 AromaticContact CD2-CD2 3.93Å; Y138-H174 AromaticContact CE1-CD2 3.85Å; Y138-H174 AromaticContact CE1-NE2 3.92Å; Y138-H174 AromaticContact CG-CD2 3.6Å; Y138-H174 AromaticContact CG-CG 3.92Å; Y138-H174 AromaticContact CG-NE2 3.71Å; N171-H174 HydrophobicContact CB-CB 4.38Å; N171-H174 CarbonylContact O-C 3.57Å; N171-H174 PolarHBondContact O-N 3.04Å; L172-H174 VanDerWaalsContact C-N 3.26Å
175V92.4Very high82.9Confident12 Ų1295.3 Ų95.37%0.07348%0.478CS..BIsolated β-bridgetrans-91.6114.4176.4-178.20000109.6W126 Y138 Y139 V141 C169 N171 T186W126-V175 HydrophobicContact CH2-CG1 4.29Å; W126-V175 HydrophobicContact CZ2-CG1 4.08Å; Y138-V175 CarbonylContact C-O 3.53Å; Y138-V175 WeakPolarHBondContact CA-O 3.25Å; Y139-V175 PolarHBondContact N-O 3.15Å; Y139-V175 PolarHBondContact O-N 2.88Å; V141-V175 HydrophobicContact CG2-CG2 3.96Å; C169-V175 HydrophobicContact CB-CG2 4.26Å; N171-V175 WeakPolarHBondContact O-CG2 3.35Å; V175-T186 HydrophobicContact CG1-CG2 3.83Å
176T88.8Confident82.8Confident95 Ų9586.7 Ų86.758%0.58344%0.441SS*.  trans-69.2137.9178.9-45.80000110.9
177P86.5Confident82.8Confident38 Ų3887.7 Ų87.725%0.24744%0.442CS..  trans-58.6141.4171.2-19.832.1000111.1V136 H137 Y139 S179V136-P177 HydrophobicContact CB-CG 4.29Å; V136-P177 HydrophobicContact CG1-CG 3.96Å; H137-P177 WeakPolarHBondContact O-CD 3.41Å; Y139-P177 HydrophobicContact CD2-CG 4.36Å; Y139-P177 HydrophobicContact CE2-CB 3.95Å; Y139-P177 HydrophobicContact CE2-CG 3.79Å; P177-S179 PolarHBondContact O-N 2.75Å
178R79.8Confident82.8Confident109 Ų10984.4 Ų84.441%0.41142%0.419SS..  trans-81.2109.2171.2-69.2-172.3177.8-153.61.9109.3A181 T186R178-A181 HydrophobicContact CB-CB 4.32Å; R178-T186 PolarHBondContact N-OG1 3.09Å
179S61.2Low83Confident102 Ų10283.6 Ų83.671%0.71341%0.414SS*.SBendtrans-79.5-18.3179.556.80000114.3P177P177-S179 PolarHBondContact O-N 2.75Å
180E52Low83.2Confident183 Ų18382.9 Ų82.986%0.85541%0.409SS*.SBendtrans-114.2-0-169.2-64.2-178.4174.900114.7K182E180-K182 PolarHBondContact O-N 3.02Å
181A55.8Low83.5Confident32 Ų3274.5 Ų74.526%0.26438%0.381SS..  trans-72.9133.117900000109.6R178 D183 N184R178-A181 HydrophobicContact CB-CB 4.32Å; A181-D183 PolarHBondContact O-N 3.1Å; A181-N184 PolarHBondContact O-N 3.14Å; A181-N184 PolarHBondContact O-OD1 3.03Å
182K57.9Low83.7Confident209 Ų20973 Ų7391%0.90939%0.385SS*.THydrogen-bonded Turntrans-48.4-27.5177.5-164.9176.7-179.7-178.10113.8E180E180-K182 PolarHBondContact O-N 3.02Å
183D68.1Low83.8Confident131 Ų13171.6 Ų71.670%0.70138%0.377SS*.THydrogen-bonded Turntrans-107.30.7-179.1-53.2-36.3000113.9A181 V185A181-D183 PolarHBondContact O-N 3.1Å; D183-V185 HydrophobicContact CB-CB 4.49Å; D183-V185 HydrophobicContact CB-CG2 3.85Å; D183-V185 WeakPolarHBondContact O-CG2 3.39Å; D183-V185 PolarHBondContact O-N 3.21Å
184N80.5Confident83.9Confident84 Ų8468.7 Ų68.745%0.44937%0.366SS..  trans50.124.4-171.7-74.1-17000114.5P128 A181P128-N184 WeakPolarHBondContact CD-O 3.47Å; P128-N184 HydrophobicContact CG-CB 4.4Å; A181-N184 PolarHBondContact O-N 3.14Å; A181-N184 PolarHBondContact O-OD1 3.03Å
185V89.4Confident84Confident51 Ų5166 Ų6631%0.30936%0.358SS..  trans-86.1129.4179.9176.50000110.4A125 D183A125-V185 HydrophobicContact CB-CG1 3.97Å; D183-V185 HydrophobicContact CB-CB 4.49Å; D183-V185 HydrophobicContact CB-CG2 3.85Å; D183-V185 WeakPolarHBondContact O-CG2 3.39Å; D183-V185 PolarHBondContact O-N 3.21Å
186T92.6Very high84Confident4 Ų465.4 Ų65.43%0.02535%0.354CS..EExtended strand (participates in β ladder)trans-97.6140.8169.3-55.20000108.9A125 W126 Y139 V175 R178A125-T186 WeakPolarHBondContact CA-O 3.36Å; W126-T186 HydrophobicContact CH2-CG2 4Å; W126-T186 HydrophobicContact CZ2-CG2 3.38Å; W126-T186 PolarHBondContact N-O 2.66Å; W126-T186 PolarHBondContact O-N 2.7Å; Y139-T186 HydrophobicContact CD2-CG2 4.41Å; V175-T186 HydrophobicContact CG1-CG2 3.83Å; R178-T186 PolarHBondContact N-OG1 3.09Å
187F94.6Very high84.3Confident41 Ų4161.4 Ų61.418%0.1833%0.329CS..EExtended strand (participates in β ladder)trans-148.4148.9179.170.2-92.5000113.1R123 V124 A125 N168 E189R123-F187 HydrophobicContact CG-CB 4.2Å; R123-F187 HydrophobicContact CG-CD2 4.17Å; R123-F187 HydrophobicContact CG-CG 4.5Å; V124-F187 CarbonylContact O-C 3.49Å; V124-F187 WeakPolarHBondContact O-CA 3.4Å; V124-F187 VanDerWaalsContact O-CB 3.28Å; V124-F187 WeakPolarHBondContact O-CB 3.38Å; A125-F187 HydrophobicContact CB-CB 3.87Å; N168-F187 WeakPolarHBondContact ND2-CD2 3.4Å; N168-F187 VanDerWaalsContact ND2-CE2 3.3Å; N168-F187 WeakPolarHBondContact ND2-CE2 3.06Å; N168-F187 PolarHBondContact ND2-O 2.96Å; F187-E189 HydrophobicContact CD2-CG 4.03Å; F187-E189 HydrophobicContact CE2-CG 4.1Å
188C96Very high84.6Confident0 Ų061.4 Ų61.40%033%0.326CS..EExtended strand (participates in β ladder)trans-120.4139.9169.4-61.20000110.1R123 V124 N168 C169 F190R123-C188 WeakPolarHBondContact CA-O 3.4Å; V124-C188 PolarHBondContact N-O 3.19Å; V124-C188 PolarHBondContact O-N 3.1Å; N168-C188 VanDerWaalsContact OD1-CA 3.29Å; N168-C188 WeakPolarHBondContact OD1-CA 3.44Å; C169-C188 HydrophobicContact CB-CB 3.85Å; C169-C188 WeakPolarHBondContact CB-SG 3.5Å; C169-C188 WeakPolarHBondContact SG-CA 3.33Å; C169-C188 WeakPolarHBondContact SG-CB 3.34Å; C169-C188 CovalentContact SG-SG 2.03Å; C169-C188 PolarHBondContact SG-SG 3.3Å; C188-F190 HydrophobicContact CB-CD2 4.5Å; C188-F190 HydrophobicContact CB-CE2 3.66Å; C188-F190 HydrophobicContact CB-CZ 3.97Å
189E96.4Very high85.4Confident41 Ų4156.2 Ų56.219%0.19231%0.307CS..EExtended strand (participates in β ladder)trans-109135.7174.6-64.6-174.4163.200108.9I114 C122 R123 S166 S167 N168 F187I114-E189 HydrophobicContact CD1-CB 4.33Å; I114-E189 HydrophobicContact CD1-CG 3.89Å; C122-E189 WeakPolarHBondContact O-CA 3.41Å; R123-E189 HydrophobicContact CB-CG 4.37Å; R123-E189 HydrophobicContact CG-CG 4.21Å; R123-E189 IonicContact CZ-OE1 3.72Å; R123-E189 IonicContact NE-OE1 2.64Å; R123-E189 PolarHBondContact NE-OE1 3.38Å; R123-E189 IonicContact NH2-OE1 3.04Å; R123-E189 PolarHBondContact NH2-OE1 3.3Å; S166-E189 CarbonylContact C-O 3.58Å; S166-E189 WeakPolarHBondContact CA-O 3.25Å; S166-E189 VanDerWaalsContact CB-O 3.28Å; S166-E189 WeakPolarHBondContact CB-O 3.32Å; S166-E189 PolarHBondContact OG-O 3.44Å; S167-E189 PolarHBondContact N-O 3.38Å; S167-E189 WeakPolarHBondContact OG-CB 3.38Å; S167-E189 PolarHBondContact OG-O 3.37Å; N168-E189 PolarHBondContact OD1-N 2.92Å; F187-E189 HydrophobicContact CD2-CG 4.03Å; F187-E189 HydrophobicContact CE2-CG 4.1Å
190F97Very high87Confident0 Ų052.1 Ų52.10%028%0.278CS..EExtended strand (participates in β ladder)trans-120.2132.5-177.7-63-92.3000108.5K121 C122 V124 V141 F143 P164 L172 C188 L193K121-F190 CarbonylContact C-O 3.57Å; K121-F190 VanDerWaalsContact CA-O 3.24Å; K121-F190 WeakPolarHBondContact CA-O 3.48Å; C122-F190 PolarHBondContact N-O 2.91Å; C122-F190 PolarHBondContact O-N 2.94Å; V124-F190 HydrophobicContact CB-CE2 4.08Å; V124-F190 HydrophobicContact CG2-CD2 3.89Å; V124-F190 HydrophobicContact CG2-CE2 3.52Å; V141-F190 HydrophobicContact CG1-CZ 4.22Å; F143-F190 HydrophobicContact CB-CD1 4.24Å; F143-F190 HydrophobicContact CB-CE1 3.61Å; F143-F190 HydrophobicContact CB-CE2 3.98Å; F143-F190 HydrophobicContact CB-CZ 3.47Å; F143-F190 VanDerWaalsContact CB-CZ 3.47Å; F143-F190 HydrophobicContact CD1-CB 3.95Å; F143-F190 AromaticContact CD1-CD1 3.37Å; F143-F190 HydrophobicContact CD1-CD1 3.37Å; F143-F190 AromaticContact CD1-CD2 3.76Å; F143-F190 HydrophobicContact CD1-CD2 3.76Å; F143-F190 AromaticContact CD1-CE1 3.68Å; F143-F190 HydrophobicContact CD1-CE1 3.68Å; F143-F190 HydrophobicContact CD1-CE2 4.07Å; F143-F190 AromaticContact CD1-CG 3.4Å; F143-F190 HydrophobicContact CD1-CG 3.4Å; F143-F190 HydrophobicContact CD1-CZ 4.03Å; F143-F190 HydrophobicContact CD2-CD2 4.27Å; F143-F190 HydrophobicContact CD2-CE2 4.19Å; F143-F190 HydrophobicContact CE1-CB 3.58Å; F143-F190 AromaticContact CE1-CD1 3.96Å; F143-F190 HydrophobicContact CE1-CD1 3.96Å; F143-F190 AromaticContact CE1-CD2 3.92Å; F143-F190 HydrophobicContact CE1-CD2 3.92Å; F143-F190 AromaticContact CE1-CG 3.54Å; F143-F190 HydrophobicContact CE1-CG 3.54Å; F143-F190 HydrophobicContact CE2-CD2 4.42Å; F143-F190 HydrophobicContact CG-CD1 4Å; F143-F190 AromaticContact CG-CD2 3.94Å; F143-F190 HydrophobicContact CG-CD2 3.94Å; F143-F190 AromaticContact CG-CE1 3.86Å; F143-F190 HydrophobicContact CG-CE1 3.86Å; F143-F190 AromaticContact CG-CE2 3.82Å; F143-F190 HydrophobicContact CG-CE2 3.82Å; F143-F190 HydrophobicContact CG-CG 4.03Å; F143-F190 AromaticContact CG-CZ 3.77Å; F143-F190 HydrophobicContact CG-CZ 3.77Å; F143-F190 HydrophobicContact CZ-CB 4.29Å; F143-F190 HydrophobicContact CZ-CD2 4.25Å; F143-F190 HydrophobicContact CZ-CG 4.28Å; P164-F190 HydrophobicContact CG-CB 4.18Å; P164-F190 HydrophobicContact CG-CD1 4.21Å; L172-F190 HydrophobicContact CD1-CE1 3.79Å; L172-F190 HydrophobicContact CD1-CZ 4.34Å; L172-F190 HydrophobicContact CD2-CE1 3.9Å; L172-F190 HydrophobicContact CD2-CZ 3.77Å; C188-F190 HydrophobicContact CB-CD2 4.5Å; C188-F190 HydrophobicContact CB-CE2 3.66Å; C188-F190 HydrophobicContact CB-CZ 3.97Å; F190-L193 HydrophobicContact CB-CD1 4.11Å; F190-L193 VanDerWaalsContact O-CD1 3.26Å; F190-L193 WeakPolarHBondContact O-CD1 3.29Å
191E95.1Very high89.2Confident83 Ų8343.4 Ų43.439%0.38824%0.237SC..EExtended strand (participates in β ladder)trans-119.9165.3178.5-54.5-166.7155.300110.5T120 K121 P164T120-E191 CarbonylContact O-C 3.56Å; K121-E191 HydrophobicContact CD-CG 3.97Å; K121-E191 VanDerWaalsContact CE-OE1 3.27Å; K121-E191 WeakPolarHBondContact CE-OE1 3.3Å; K121-E191 HydrophobicContact CG-CB 4.35Å; K121-E191 HydrophobicContact CG-CG 4.04Å; K121-E191 IonicContact NZ-OE1 2.86Å; K121-E191 PolarHBondContact NZ-OE1 2.87Å; K121-E191 IonicContact NZ-OE2 3.91Å; P164-E191 WeakPolarHBondContact CB-O 3.24Å
192G94.8Very high91.1Very high51 Ų5143.5 Ų43.553%0.52624%0.235SC..  trans70.536.1-179.800000112.3T120 H162T120-G192 PolarHBondContact O-N 2.9Å; T120-G192 VanDerWaalsContact O-N 3.08Å; H162-G192 PolarHBondContact CE1-O 3.22Å; H162-G192 VanDerWaalsContact CE1-O 3.32Å
193L96Very high93Very high10 Ų1033.5 Ų33.55%0.05219%0.191CC..PPolyproline II helixtrans-64.6137.4173.7-76.163.9000109.7I113 T120 C122 P164 F190 Y199 T223I113-L193 HydrophobicContact CD1-CD2 4.34Å; T120-L193 WeakPolarHBondContact O-CD1 3.28Å; T120-L193 PolarHBondContact O-N 2.75Å; C122-L193 HydrophobicContact CB-CD1 4.35Å; C122-L193 HydrophobicContact CB-CD2 3.66Å; P164-L193 HydrophobicContact CG-CD1 4.48Å; F190-L193 HydrophobicContact CB-CD1 4.11Å; F190-L193 VanDerWaalsContact O-CD1 3.26Å; F190-L193 WeakPolarHBondContact O-CD1 3.29Å; L193-Y199 WeakPolarHBondContact CA-OH 3.18Å; L193-Y199 HydrophobicContact CB-CE2 3.71Å; L193-Y199 WeakPolarHBondContact CB-OH 3.21Å; L193-Y199 HydrophobicContact CD2-CD2 3.76Å; L193-Y199 HydrophobicContact CD2-CE2 3.72Å; L193-Y199 HydrophobicContact CD2-CG 4.19Å; L193-Y199 HydrophobicContact CG-CD2 4.18Å; L193-Y199 HydrophobicContact CG-CE1 4.06Å; L193-Y199 HydrophobicContact CG-CE2 3.67Å; L193-T223 HydrophobicContact CB-CG2 3.89Å; L193-T223 HydrophobicContact CD2-CG2 4.1Å
194L94.6Very high94.4Very high75 Ų7528.4 Ų28.439%0.39317%0.165SC..PPolyproline II helixtrans-83.2150.2178.3-65179.2000110.9H162 R197 Y199 T223H162-L194 HydrophobicContact CB-CD1 3.98Å; L194-R197 HydrophobicContact CB-CG 4.12Å; L194-R197 WeakPolarHBondContact O-CG 3.47Å; L194-Y199 PolarHBondContact N-OH 3.24Å; L194-T223 WeakPolarHBondContact O-CB 3.46Å; L194-T223 WeakPolarHBondContact O-CG2 3.45Å; L194-T223 PolarHBondContact O-OG1 3.06Å
195S94.2Very high95Very high35 Ų3524.4 Ų24.425%0.24514%0.143CC..SBendtrans-64.5157.2177.6-58.20000113.3R197 T223 S224 G226 N257S195-R197 VanDerWaalsContact C-N 3.33Å; S195-R197 WeakPolarHBondContact O-CG 3.46Å; S195-R197 PolarHBondContact O-N 2.84Å; S195-R197 PolarHBondContact O-NH1 2.84Å; S195-T223 WeakPolarHBondContact CA-OG1 3.44Å; S195-S224 CarbonylContact C-O 3.6Å; S195-S224 VanDerWaalsContact CA-O 3.28Å; S195-S224 WeakPolarHBondContact CA-O 3.4Å; S195-S224 VanDerWaalsContact CB-O 3.29Å; S195-S224 WeakPolarHBondContact CB-O 3.33Å; S195-G226 WeakPolarHBondContact OG-CA 3.07Å; S195-N257 WeakPolarHBondContact CB-O 3.4Å
196N93.5Very high95Very high0 Ų022.5 Ų22.50%013%0.132CC..SBendtrans53.644.9-179.9-173.528.2000113.2V147 R148 R149 T223 S224 F225 I256 N257V147-N196 WeakPolarHBondContact CA-O 3.33Å; R148-N196 PolarHBondContact N-O 2.99Å; R149-N196 PolarHBondContact N-OD1 3.02Å; R149-N196 VanDerWaalsContact N-OD1 3.15Å; R149-N196 PolarHBondContact O-ND2 2.95Å; N196-T223 PolarHBondContact N-OG1 2.73Å; N196-T223 VanDerWaalsContact N-OG1 3.16Å; N196-S224 PolarHBondContact N-O 3.11Å; N196-F225 HydrophobicContact CB-CD1 3.95Å; N196-F225 HydrophobicContact CB-CE1 4.4Å; N196-I256 PolarHBondContact ND2-O 2.85Å; N196-N257 VanDerWaalsContact CB-C 3.43Å; N196-N257 VanDerWaalsContact CB-O 3.22Å; N196-N257 WeakPolarHBondContact CB-O 3.35Å
197R93.5Very high94.7Very high11 Ų1122.7 Ų22.74%0.04213%0.134CC..EExtended strand (participates in β ladder)trans-125.8144.9-179.5-64-61.1175.4-88.5-0.3112.9V146 V147 R148 L194 S195 Y199 T223 I256V146-R197 CarbonylContact O-C 3.58Å; V146-R197 WeakPolarHBondContact O-CA 3.49Å; V146-R197 WeakPolarHBondContact O-CD 3.36Å; V147-R197 VanDerWaalsContact CG2-NH1 3.34Å; R148-R197 VanDerWaalsContact CD-C 3.42Å; R148-R197 VanDerWaalsContact CD-O 3.3Å; R148-R197 WeakPolarHBondContact CD-O 3.39Å; L194-R197 HydrophobicContact CB-CG 4.12Å; L194-R197 WeakPolarHBondContact O-CG 3.47Å; S195-R197 VanDerWaalsContact C-N 3.33Å; S195-R197 WeakPolarHBondContact O-CG 3.46Å; S195-R197 PolarHBondContact O-N 2.84Å; S195-R197 PolarHBondContact O-NH1 2.84Å; R197-Y199 HydrophobicContact CB-CD2 3.97Å; R197-Y199 HydrophobicContact CB-CE2 3.48Å; R197-Y199 VanDerWaalsContact CB-CE2 3.48Å; R197-Y199 HydrophobicContact CG-CE2 4.25Å; R197-T223 PolarHBondContact N-OG1 2.97Å; R197-T223 PolarHBondContact O-N 3.38Å; R197-T223 PolarHBondContact O-OG1 3.36Å; R197-I256 PolarHBondContact NH1-O 3.39Å
198N93.4Very high93.9Very high37 Ų3722.6 Ų22.620%0.19814%0.138CC..EExtended strand (participates in β ladder)trans-105.2113.1165.2-176.6-7.4000107.7G145 V146 R148 S219 L222G145-N198 WeakPolarHBondContact CA-O 3.2Å; V146-N198 PolarHBondContact N-O 3.43Å; V146-N198 PolarHBondContact O-N 2.83Å; R148-N198 HydrophobicContact CG-CB 3.66Å; N198-S219 PolarHBondContact ND2-OG 3.09Å; N198-S219 WeakPolarHBondContact OD1-CA 3.21Å; N198-S219 PolarHBondContact OD1-N 3.11Å; N198-S219 VanDerWaalsContact OD1-N 3.11Å; N198-L222 HydrophobicContact CB-CD2 3.8Å
199Y95.8Very high93.2Very high0 Ų026.9 Ų26.90%016%0.157CC..EExtended strand (participates in β ladder)trans-89.2136.2177.8-74.6-93.7000112L111 F143 Y144 H162 P164 L193 L194 R197 C221 T223L111-Y199 WeakPolarHBondContact CD2-O 3.24Å; F143-Y199 HydrophobicContact CD1-CD1 4.09Å; F143-Y199 AromaticContact CE1-CD1 3.35Å; F143-Y199 HydrophobicContact CE1-CD1 3.35Å; F143-Y199 AromaticContact CE1-CE1 3.82Å; F143-Y199 HydrophobicContact CE1-CE1 3.82Å; F143-Y199 HydrophobicContact CE1-CG 4.13Å; F143-Y199 HydrophobicContact CE2-CD1 4.17Å; F143-Y199 HydrophobicContact CE2-CG 4.39Å; F143-Y199 AromaticContact CZ-CD1 3.4Å; F143-Y199 HydrophobicContact CZ-CD1 3.4Å; F143-Y199 HydrophobicContact CZ-CE1 4.26Å; F143-Y199 AromaticContact CZ-CG 3.72Å; F143-Y199 HydrophobicContact CZ-CG 3.72Å; Y144-Y199 VanDerWaalsContact O-CA 3.31Å; Y144-Y199 WeakPolarHBondContact O-CA 3.31Å; H162-Y199 PolarHBondContact CE1-OH 2.68Å; H162-Y199 VanDerWaalsContact CE1-OH 3.3Å; H162-Y199 AromaticContact ND1-CE1 4Å; H162-Y199 AromaticContact ND1-CZ 3.73Å; H162-Y199 PolarHBondContact ND1-OH 3.16Å; P164-Y199 HydrophobicContact CG-CE1 3.87Å; L193-Y199 WeakPolarHBondContact CA-OH 3.18Å; L193-Y199 HydrophobicContact CB-CE2 3.71Å; L193-Y199 WeakPolarHBondContact CB-OH 3.21Å; L193-Y199 HydrophobicContact CD2-CD2 3.76Å; L193-Y199 HydrophobicContact CD2-CE2 3.72Å; L193-Y199 HydrophobicContact CD2-CG 4.19Å; L193-Y199 HydrophobicContact CG-CD2 4.18Å; L193-Y199 HydrophobicContact CG-CE1 4.06Å; L193-Y199 HydrophobicContact CG-CE2 3.67Å; L194-Y199 PolarHBondContact N-OH 3.24Å; R197-Y199 HydrophobicContact CB-CD2 3.97Å; R197-Y199 HydrophobicContact CB-CE2 3.48Å; R197-Y199 VanDerWaalsContact CB-CE2 3.48Å; R197-Y199 HydrophobicContact CG-CE2 4.25Å; Y199-C221 WeakPolarHBondContact CB-O 3.23Å; Y199-C221 WeakPolarHBondContact CD2-O 3.29Å; Y199-C221 PolarHBondContact N-O 2.8Å; Y199-C221 VanDerWaalsContact N-O 3.09Å; Y199-T223 HydrophobicContact CD2-CG2 4.06Å; Y199-T223 HydrophobicContact CE2-CG2 3.68Å
200S95.8Very high92.8Very high16 Ų1626.2 Ų26.211%0.11216%0.161CC..EExtended strand (participates in β ladder)trans-125.6152.9175.2-57.70000109.8F143 Y144 A217 S218F143-S200 WeakPolarHBondContact CA-O 3.21Å; F143-S200 WeakPolarHBondContact CD2-O 3.4Å; Y144-S200 PolarHBondContact N-O 3.18Å; Y144-S200 VanDerWaalsContact N-O 3.07Å; Y144-S200 PolarHBondContact O-N 3Å; S200-A217 CarbonylContact C-O 3.56Å; S200-A217 VanDerWaalsContact CA-O 3.31Å; S200-A217 WeakPolarHBondContact CA-O 3.5Å; S200-S218 VanDerWaalsContact OG-CB 3.24Å; S200-S218 WeakPolarHBondContact OG-CB 3.27Å
201A97.2Very high92.5Very high0 Ų032.4 Ų32.40%019%0.188CC..EExtended strand (participates in β ladder)trans-127.7144.8173.900000110.8L111 V124 D142 F143 Y216 A217L111-A201 HydrophobicContact CD1-CB 3.72Å; L111-A201 HydrophobicContact CD2-CB 4.34Å; L111-A201 HydrophobicContact CG-CB 4.38Å; V124-A201 HydrophobicContact CG1-CB 3.74Å; V124-A201 HydrophobicContact CG2-CB 4Å; D142-A201 CarbonylContact O-C 3.51Å; D142-A201 VanDerWaalsContact O-CA 3.26Å; D142-A201 WeakPolarHBondContact O-CA 3.44Å; F143-A201 HydrophobicContact CD2-CB 3.95Å; A201-Y216 WeakPolarHBondContact O-CA 3.42Å; A201-A217 PolarHBondContact N-O 3.21Å; A201-A217 PolarHBondContact O-N 2.85Å
202T97.1Very high92.4Very high34 Ų3429 Ų2921%0.20917%0.174CC..EExtended strand (participates in β ladder)trans-124.4129.9168.4-570000108.4V141 D142 P214 T215V141-T202 WeakPolarHBondContact CA-O 3.44Å; D142-T202 PolarHBondContact N-O 3.11Å; D142-T202 PolarHBondContact O-N 3.18Å; T202-P214 HydrophobicContact CG2-CB 3.53Å; T202-T215 CarbonylContact C-O 3.57Å; T202-T215 WeakPolarHBondContact CA-O 3.31Å
203V97.5Very high92.4Very high0 Ų030.1 Ų30.10%017%0.173CC..EExtended strand (participates in β ladder)trans-122.4131.9177.1-1710000109.7P106 L109 W126 Y139 M140 V141 T215P106-V203 HydrophobicContact CB-CB 4.49Å; P106-V203 HydrophobicContact CB-CG1 4.24Å; P106-V203 HydrophobicContact CG-CB 4.11Å; P106-V203 HydrophobicContact CG-CG1 3.73Å; L109-V203 HydrophobicContact CD1-CB 4.45Å; L109-V203 HydrophobicContact CD1-CG2 3.52Å; L109-V203 HydrophobicContact CD2-CB 4.49Å; L109-V203 HydrophobicContact CD2-CG2 4.04Å; L109-V203 HydrophobicContact CG-CG2 4.44Å; W126-V203 HydrophobicContact CD2-CG1 4.02Å; W126-V203 HydrophobicContact CD2-CG2 4.19Å; W126-V203 HydrophobicContact CE3-CG2 4.04Å; W126-V203 HydrophobicContact CG-CG1 4.25Å; W126-V203 HydrophobicContact CZ2-CG1 4.22Å; W126-V203 HydrophobicContact CZ3-CG2 4.38Å; Y139-V203 HydrophobicContact CD1-CG1 3.95Å; Y139-V203 HydrophobicContact CG-CG1 4.28Å; M140-V203 WeakPolarHBondContact O-CA 3.34Å; V141-V203 HydrophobicContact CG1-CG2 4.44Å; V141-V203 HydrophobicContact CG2-CG1 4.36Å; V141-V203 HydrophobicContact CG2-CG2 4.34Å; V203-T215 PolarHBondContact N-O 3.19Å; V203-T215 PolarHBondContact O-N 2.76Å
204V96.5Very high92.4Very high23 Ų2333.4 Ų33.414%0.13920%0.195CC..EExtended strand (participates in β ladder)trans-123.3127.6178.1177.10000108.4Y139 M140 K211 P214Y139-V204 CarbonylContact C-O 3.54Å; Y139-V204 VanDerWaalsContact CA-O 3.31Å; Y139-V204 WeakPolarHBondContact CA-O 3.28Å; M140-V204 HydrophobicContact CB-CB 4.48Å; M140-V204 HydrophobicContact CE-CB 3.77Å; M140-V204 HydrophobicContact CE-CG1 3.53Å; M140-V204 PolarHBondContact N-O 3.31Å; M140-V204 PolarHBondContact O-N 2.81Å; V204-K211 HydrophobicContact CG1-CB 3.84Å; V204-K211 HydrophobicContact CG1-CG 4.38Å; V204-P214 HydrophobicContact CG2-CB 3.88Å
205A93.4Very high92.5Very high0 Ų031.1 Ų31.10%018%0.184CC..EExtended strand (participates in β ladder)trans-81.3136.8171.500000109.6P103 P106 P129 V136 Y139 K211 S212P103-A205 HydrophobicContact CB-CB 4.26Å; P103-A205 HydrophobicContact CG-CB 3.9Å; P106-A205 HydrophobicContact CG-CB 4.23Å; P129-A205 HydrophobicContact CG-CB 4.26Å; V136-A205 HydrophobicContact CG1-CB 4.17Å; V136-A205 HydrophobicContact CG2-CB 4.07Å; Y139-A205 HydrophobicContact CD1-CB 3.99Å; Y139-A205 HydrophobicContact CE1-CB 3.84Å; A205-K211 WeakPolarHBondContact O-CA 3.39Å; A205-S212 PolarHBondContact N-OG 3.33Å; A205-S212 PolarHBondContact O-N 2.99Å; A205-S212 PolarHBondContact O-OG 2.83Å
206V90.5Very high92.6Very high11 Ų1138.3 Ų38.37%0.06721%0.207CC..EExtended strand (participates in β ladder)trans-119.8123.2177.1-169.40000109H137 Y138 M140 K211H137-V206 PolarHBondContact N-O 2.73Å; Y138-V206 HydrophobicContact CD1-CB 4.26Å; Y138-V206 HydrophobicContact CD2-CB 4.06Å; Y138-V206 HydrophobicContact CD2-CG2 4.02Å; Y138-V206 HydrophobicContact CE1-CB 3.91Å; Y138-V206 HydrophobicContact CE1-CG1 3.81Å; Y138-V206 HydrophobicContact CE2-CB 3.72Å; Y138-V206 HydrophobicContact CE2-CG1 4.15Å; Y138-V206 HydrophobicContact CE2-CG2 3.52Å; Y138-V206 HydrophobicContact CG-CB 4.33Å; Y138-V206 PolarHBondContact N-O 2.8Å; Y138-V206 PolarHBondContact O-N 2.99Å; M140-V206 HydrophobicContact CE-CG2 3.44Å; M140-V206 VanDerWaalsContact CE-CG2 3.44Å; M140-V206 HydrophobicContact CG-CG2 4.03Å; M140-V206 HydrophobicContact SD-CG2 4.16Å; V206-K211 HydrophobicContact CG1-CG 4.47Å; V206-K211 HydrophobicContact CG2-CG 4.23Å
207G86.7Confident92.6Very high8 Ų838.9 Ų38.98%0.08221%0.212CC..EExtended strand (participates in β ladder)trans-118.6-171.9173.700000111S135 F209 G210S135-G207 WeakPolarHBondContact O-CA 3.33Å; G207-F209 VanDerWaalsContact C-N 3.34Å; G207-F209 PolarHBondContact O-N 2.7Å; G207-G210 PolarHBondContact N-O 3.38Å; G207-G210 PolarHBondContact O-N 3.03Å
208P76.4Confident92.4Very high39 Ų3941.1 Ų41.125%0.25323%0.229SC..THydrogen-bonded Turntrans-67.5-32.3-176.622.2-28.7000113.9F95F95-P208 HydrophobicContact CD1-CB 3.78Å; F95-P208 HydrophobicContact CD1-CG 3.69Å; F95-P208 HydrophobicContact CD2-CB 4.33Å; F95-P208 HydrophobicContact CE1-CB 3.27Å; F95-P208 HydrophobicContact CE1-CG 3.71Å; F95-P208 HydrophobicContact CE2-CB 3.88Å; F95-P208 HydrophobicContact CG-CB 4.32Å; F95-P208 HydrophobicContact CG-CG 4.19Å; F95-P208 HydrophobicContact CZ-CB 3.33Å; F95-P208 HydrophobicContact CZ-CG 4.19Å
209F81.7Confident91.7Very high90 Ų9042.3 Ų42.340%0.39524%0.241SC..THydrogen-bonded Turntrans-95.63.5-176.8-61.4-80.2000114.1F95 E99 G207F95-F209 HydrophobicContact CD2-CE2 4.31Å; F95-F209 HydrophobicContact CD2-CZ 4.16Å; E99-F209 VanDerWaalsContact C-CE2 3.5Å; E99-F209 HydrophobicContact CB-CD2 4.02Å; E99-F209 HydrophobicContact CB-CE2 3.53Å; E99-F209 WeakPolarHBondContact O-CE2 3.24Å; E99-F209 WeakPolarHBondContact O-CZ 3.1Å; G207-F209 VanDerWaalsContact C-N 3.34Å; G207-F209 PolarHBondContact O-N 2.7Å
210G87.1Confident91.1Very high27 Ų2747 Ų4728%0.27826%0.263SS..EExtended strand (participates in β ladder)trans140.8-160.1175.100000114.4G207G207-G210 PolarHBondContact N-O 3.38Å; G207-G210 PolarHBondContact O-N 3.03Å
211K92.2Very high91.1Very high131 Ų13146.3 Ų46.357%0.5726%0.257SS*.EExtended strand (participates in β ladder)trans-103.4142.6-178-60.7179.7178.4-171.50110.1P102 M140 V204 A205 V206P102-K211 WeakPolarHBondContact CB-O 3.45Å; M140-K211 HydrophobicContact CE-CD 3.5Å; M140-K211 VanDerWaalsContact CE-CE 3.47Å; M140-K211 HydrophobicContact CE-CG 4Å; V204-K211 HydrophobicContact CG1-CB 3.84Å; V204-K211 HydrophobicContact CG1-CG 4.38Å; A205-K211 WeakPolarHBondContact O-CA 3.39Å; V206-K211 HydrophobicContact CG1-CG 4.47Å; V206-K211 HydrophobicContact CG2-CG 4.23Å
212S93.1Very high90.9Very high12 Ų1248.1 Ų48.18%0.08427%0.267CS..PPolyproline II helixtrans-66.3169.1167.973.80000111.3P103 G104 A205P103-S212 WeakPolarHBondContact O-CA 3.27Å; P103-S212 WeakPolarHBondContact O-CB 3.39Å; G104-S212 VanDerWaalsContact O-CB 3.25Å; G104-S212 WeakPolarHBondContact O-CB 3.46Å; A205-S212 PolarHBondContact N-OG 3.33Å; A205-S212 PolarHBondContact O-N 2.99Å; A205-S212 PolarHBondContact O-OG 2.83Å
213S94.2Very high90.7Very high73 Ų7346.7 Ų46.751%0.5126%0.258SS..PPolyproline II helixtrans-60.4151156.351.60000110.4
214P96.5Very high90.6Very high79 Ų7947.1 Ų47.151%0.51326%0.261SS..PPolyproline II helixtrans-74.3140.2178.128.1-32.8000111.9T202 V204T202-P214 HydrophobicContact CG2-CB 3.53Å; V204-P214 HydrophobicContact CG2-CB 3.88Å
215T96.8Very high90.4Very high28 Ų2847 Ų4717%0.17226%0.258CS..EExtended strand (participates in β ladder)trans-96.3132.1162.7-53.40000108.4P105 P106 L109 T202 V203P105-T215 WeakPolarHBondContact CB-OG1 3.07Å; P106-T215 WeakPolarHBondContact CD-OG1 3.18Å; P106-T215 WeakPolarHBondContact O-CB 3.24Å; P106-T215 WeakPolarHBondContact O-CG2 3.45Å; P106-T215 PolarHBondContact O-OG1 3.49Å; L109-T215 HydrophobicContact CB-CG2 3.55Å; L109-T215 HydrophobicContact CD2-CG2 3.98Å; L109-T215 WeakPolarHBondContact CD2-O 3.31Å; L109-T215 HydrophobicContact CG-CG2 4.43Å; T202-T215 CarbonylContact C-O 3.57Å; T202-T215 WeakPolarHBondContact CA-O 3.31Å; V203-T215 PolarHBondContact N-O 3.19Å; V203-T215 PolarHBondContact O-N 2.76Å
216Y95.3Very high90.4Very high186 Ų18647 Ų4773%0.72926%0.259SS*.EExtended strand (participates in β ladder)trans-119.9146.1-176.369.7-86.7000111.2A201A201-Y216 WeakPolarHBondContact O-CA 3.42Å
217A94Very high90.5Very high12 Ų1248.6 Ų48.610%0.09927%0.27CS..EExtended strand (participates in β ladder)trans-145.4140.2170.800000109.8L109 L111 S200 A201L109-A217 HydrophobicContact CB-CB 4.41Å; L109-A217 HydrophobicContact CD2-CB 3.84Å; L109-A217 HydrophobicContact CG-CB 3.73Å; L111-A217 HydrophobicContact CD1-CB 3.53Å; S200-A217 CarbonylContact C-O 3.56Å; S200-A217 VanDerWaalsContact CA-O 3.31Å; S200-A217 WeakPolarHBondContact CA-O 3.5Å; A201-A217 PolarHBondContact N-O 3.21Å; A201-A217 PolarHBondContact O-N 2.85Å
218S89.5Confident90.8Very high57 Ų5748.5 Ų48.540%0.39927%0.267SS..EExtended strand (participates in β ladder)trans-141.6165.7-176.471.90000111.6S200 Q220S200-S218 VanDerWaalsContact OG-CB 3.24Å; S200-S218 WeakPolarHBondContact OG-CB 3.27Å; S218-Q220 VanDerWaalsContact C-N 3.29Å; S218-Q220 PolarHBondContact O-N 3.19Å
219S78.2Confident91.5Very high63 Ų6352 Ų5244%0.44129%0.288SS..EExtended strand (participates in β ladder)trans67.614.9166.1-50.30000117.1N198N198-S219 PolarHBondContact ND2-OG 3.09Å; N198-S219 WeakPolarHBondContact OD1-CA 3.21Å; N198-S219 PolarHBondContact OD1-N 3.11Å; N198-S219 VanDerWaalsContact OD1-N 3.11Å
220Q84.2Confident92Very high99 Ų9953.1 Ų53.146%0.46330%0.299SS..EExtended strand (participates in β ladder)trans-105.7-25175.8-59.9172-42.600112.9L111 S218L111-Q220 HydrophobicContact CB-CB 3.76Å; L111-Q220 VanDerWaalsContact O-CB 3.23Å; L111-Q220 WeakPolarHBondContact O-CB 2.97Å; L111-Q220 PolarHBondContact O-OE1 2.91Å; S218-Q220 VanDerWaalsContact C-N 3.29Å; S218-Q220 PolarHBondContact O-N 3.19Å
221C94Very high92.4Very high0 Ų052.1 Ų52.10%029%0.287CS..EExtended strand (participates in β ladder)trans-104.172.8172.6-74.70000110.6L111 I113 C122 Y199L111-C221 HydrophobicContact CD2-CB 4.34Å; I113-C221 HydrophobicContact CD1-CB 3.77Å; I113-C221 HydrophobicContact CG1-CB 4.33Å; C122-C221 HydrophobicContact CB-CB 3.81Å; C122-C221 WeakPolarHBondContact CB-SG 3.41Å; C122-C221 WeakPolarHBondContact SG-CB 3.42Å; C122-C221 CovalentContact SG-SG 2.03Å; C122-C221 PolarHBondContact SG-SG 2.9Å; Y199-C221 WeakPolarHBondContact CB-O 3.23Å; Y199-C221 WeakPolarHBondContact CD2-O 3.29Å; Y199-C221 PolarHBondContact N-O 2.8Å; Y199-C221 VanDerWaalsContact N-O 3.09Å
222L93.6Very high92.6Very high39 Ų3949.4 Ų49.420%0.20428%0.276CS..EExtended strand (participates in β ladder)trans-87.7131173.8-55.5178.8000110R119 N198 V369R119-L222 VanDerWaalsContact CZ-O 3.22Å; R119-L222 PolarHBondContact NE-O 3.3Å; R119-L222 PolarHBondContact NH2-O 2.71Å; N198-L222 HydrophobicContact CB-CD2 3.8Å; L222-V369 HydrophobicContact CB-CB 4.22Å; L222-V369 HydrophobicContact CB-CG1 3.69Å; L222-V369 HydrophobicContact CD1-CG1 4.29Å
223T94.3Very high92.8Very high4 Ų451.1 Ų51.13%0.02529%0.286CS..PPolyproline II helixtrans-96150.1174.363.20000111.3R119 R148 L193 L194 S195 N196 R197 Y199R119-T223 VanDerWaalsContact O-CG2 3.28Å; R119-T223 WeakPolarHBondContact O-CG2 3.35Å; R148-T223 PolarHBondContact NH1-O 3.32Å; L193-T223 HydrophobicContact CB-CG2 3.89Å; L193-T223 HydrophobicContact CD2-CG2 4.1Å; L194-T223 WeakPolarHBondContact O-CB 3.46Å; L194-T223 WeakPolarHBondContact O-CG2 3.45Å; L194-T223 PolarHBondContact O-OG1 3.06Å; S195-T223 WeakPolarHBondContact CA-OG1 3.44Å; N196-T223 PolarHBondContact N-OG1 2.73Å; N196-T223 VanDerWaalsContact N-OG1 3.16Å; R197-T223 PolarHBondContact N-OG1 2.97Å; R197-T223 PolarHBondContact O-N 3.38Å; R197-T223 PolarHBondContact O-OG1 3.36Å; Y199-T223 HydrophobicContact CD2-CG2 4.06Å; Y199-T223 HydrophobicContact CE2-CG2 3.68Å
224S93.6Very high92.9Very high8 Ų847.9 Ų47.96%0.05626%0.263CS..PPolyproline II helixtrans-69.9169.9174.6-167.30000110.8S195 N196 D366 Y370S195-S224 CarbonylContact C-O 3.6Å; S195-S224 VanDerWaalsContact CA-O 3.28Å; S195-S224 WeakPolarHBondContact CA-O 3.4Å; S195-S224 VanDerWaalsContact CB-O 3.29Å; S195-S224 WeakPolarHBondContact CB-O 3.33Å; N196-S224 PolarHBondContact N-O 3.11Å; S224-D366 PolarHBondContact OG-N 2.78Å; S224-Y370 WeakPolarHBondContact CB-OH 3.34Å
225F93.8Very high93Very high20 Ų2046.4 Ų46.49%0.08825%0.253CS..PPolyproline II helixtrans-66.3154.1166.4-57.8-32.9000110.9N196 N257 P259 V363 D366N196-F225 HydrophobicContact CB-CD1 3.95Å; N196-F225 HydrophobicContact CB-CE1 4.4Å; F225-N257 CarbonylContact C-O 3.57Å; F225-N257 WeakPolarHBondContact CA-O 3.07Å; F225-P259 HydrophobicContact CD2-CG 3.92Å; F225-P259 HydrophobicContact CE2-CG 3.81Å; F225-P259 HydrophobicContact CZ-CG 4.33Å; F225-V363 HydrophobicContact CB-CG1 3.62Å; F225-D366 HydrophobicContact CD1-CB 4.05Å; F225-D366 HydrophobicContact CD2-CB 3.62Å; F225-D366 HydrophobicContact CE1-CB 4.06Å; F225-D366 HydrophobicContact CE2-CB 3.62Å; F225-D366 HydrophobicContact CG-CB 3.82Å; F225-D366 HydrophobicContact CZ-CB 3.83Å
226G93.2Very high93Very high2 Ų245.6 Ų45.62%0.02125%0.249CC..  trans-148.4172.5178.300000111.9S195 N257S195-G226 WeakPolarHBondContact OG-CA 3.07Å; G226-N257 PolarHBondContact N-O 2.69Å; G226-N257 CarbonylContact O-C 3.54Å; G226-N257 WeakPolarHBondContact O-CB 3.16Å
227P93.2Very high93.1Very high44 Ų4441.9 Ų41.929%0.28624%0.237SC..  trans-65.1153.1-172.921.9-27.9000112.3N257 T387P227-N257 WeakPolarHBondContact O-CB 3.26Å; P227-N257 PolarHBondContact O-ND2 3.46Å; P227-T387 WeakPolarHBondContact CD-OG1 3.4Å
228P93Very high93.1Very high5 Ų545.9 Ų45.93%0.03225%0.249CC..  trans-62144169.727.2-33.7000110.2I231 P253 D254 I260 A361 S389P228-I231 HydrophobicContact CG-CD1 4.18Å; P228-I231 HydrophobicContact CG-CG1 4.05Å; P228-P253 HydrophobicContact CB-CB 4.19Å; P228-P253 HydrophobicContact CG-CB 4.42Å; P228-D254 WeakPolarHBondContact CB-O 3.44Å; P228-I260 HydrophobicContact CG-CD1 4.41Å; P228-A361 HydrophobicContact CG-CB 3.93Å; P228-S389 WeakPolarHBondContact O-CB 3.5Å; P228-S389 PolarHBondContact O-OG 2.99Å
229T91Very high93.1Very high112 Ų11244 Ų4469%0.68724%0.238SC*.SBendtrans-73.4-32.6-173-46.80000111.9N257T229-N257 PolarHBondContact OG1-ND2 3.02Å
230N91.4Very high93.5Very high115 Ų11549.6 Ų49.662%0.61526%0.263SS*.  trans-140.1136.6-179.8-174.451.1000110
231I94.8Very high93.6Very high6 Ų648.2 Ų48.23%0.03126%0.258CS..  trans-122.1123.7170.3-59.2-176.7000106.7P228 P253 L359 A361 S389P228-I231 HydrophobicContact CG-CD1 4.18Å; P228-I231 HydrophobicContact CG-CG1 4.05Å; I231-P253 HydrophobicContact CB-CG 4.34Å; I231-P253 HydrophobicContact CG1-CB 4.28Å; I231-P253 HydrophobicContact CG1-CG 4.04Å; I231-P253 HydrophobicContact CG2-CG 3.95Å; I231-L359 HydrophobicContact CG2-CB 4.26Å; I231-L359 HydrophobicContact CG2-CD2 3.79Å; I231-L359 HydrophobicContact CG2-CG 4.17Å; I231-A361 HydrophobicContact CD1-CB 3.52Å; I231-S389 VanDerWaalsContact CD1-C 3.47Å; I231-S389 VanDerWaalsContact CD1-O 3.3Å; I231-S389 WeakPolarHBondContact CD1-O 3.24Å
232E96.1Very high93.2Very high73 Ų7349.5 Ų49.534%0.34127%0.265SS..PPolyproline II helixtrans-66135.8175.5-171173.4-17500110.9P234 Q250 S251E232-P234 WeakPolarHBondContact O-CD 3.49Å; E232-Q250 PolarHBondContact OE1-NE2 3.26Å; E232-Q250 VanDerWaalsContact OE1-NE2 3.13Å; E232-Q250 PolarHBondContact OE1-OE1 2.88Å; E232-Q250 WeakPolarHBondContact OE2-CB 3.28Å; E232-S251 WeakPolarHBondContact OE2-CB 3.06Å; E232-S251 PolarHBondContact OE2-OG 3.07Å
233T97.4Very high93.1Very high48 Ų4851.8 Ų51.829%0.29427%0.274SS..PPolyproline II helixtrans-66.1126.6176.5-59.40000110.4G392 Y393 F394T233-G392 WeakPolarHBondContact CG2-O 3.42Å; T233-G392 WeakPolarHBondContact OG1-CA 3.46Å; T233-G392 PolarHBondContact OG1-N 2.89Å; T233-Y393 VanDerWaalsContact CG2-C 3.48Å; T233-Y393 WeakPolarHBondContact CG2-O 3.47Å; T233-F394 HydrophobicContact CG2-CB 4.03Å
234P97.9Very high93.2Very high5 Ų551.9 Ų51.93%0.03227%0.274CS..PPolyproline II helixtrans-60.5160.3174.6-21.332000112.6E232 V247 E248 F249 L359 F394E232-P234 WeakPolarHBondContact O-CD 3.49Å; P234-V247 HydrophobicContact CB-CG1 3.58Å; P234-V247 HydrophobicContact CG-CG1 4.48Å; P234-E248 WeakPolarHBondContact CA-O 3.36Å; P234-F249 HydrophobicContact CB-CD1 4.07Å; P234-F249 HydrophobicContact CB-CE1 4.18Å; P234-F249 HydrophobicContact CG-CD1 3.92Å; P234-F249 HydrophobicContact CG-CE1 3.89Å; P234-L359 HydrophobicContact CG-CB 3.79Å; P234-F394 WeakPolarHBondContact O-CB 3.26Å
235V98Very high93.3Very high49 Ų4951.5 Ų51.530%0.29727%0.272SS..EExtended strand (participates in β ladder)trans-105.7118.8173-179.40000108.7V247 E248 Q250V235-V247 WeakPolarHBondContact O-CA 3.21Å; V235-E248 HydrophobicContact CB-CB 4.49Å; V235-E248 PolarHBondContact N-O 2.97Å; V235-E248 PolarHBondContact O-N 2.89Å; V235-Q250 HydrophobicContact CG2-CG 4.17Å; V235-Q250 VanDerWaalsContact CG2-NE2 3.29Å
236A97.3Very high93.4Very high11 Ų1151 Ų519%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-106.7141.9177.700000111.2I245 A246 V247 F394 V397A236-I245 HydrophobicContact CB-CG2 3.96Å; A236-A246 CarbonylContact C-O 3.58Å; A236-A246 WeakPolarHBondContact CA-O 3.5Å; A236-V247 HydrophobicContact CB-CG2 4.16Å; A236-F394 HydrophobicContact CB-CB 4.33Å; A236-F394 HydrophobicContact CB-CD1 4.1Å; A236-F394 HydrophobicContact CB-CD2 3.37Å; A236-F394 HydrophobicContact CB-CE1 4.18Å; A236-F394 HydrophobicContact CB-CE2 3.44Å; A236-F394 VanDerWaalsContact CB-CE2 3.44Å; A236-F394 HydrophobicContact CB-CG 3.71Å; A236-F394 HydrophobicContact CB-CZ 3.86Å; A236-V397 HydrophobicContact CB-CG2 3.59Å
237K96Very high93.5Very high108 Ų10850.9 Ų50.947%0.4727%0.27SS..EExtended strand (participates in β ladder)trans-140.5156.1176.8-63.5171.1-171.9143.30109.3G239 I245 A246 E248K237-G239 PolarHBondContact O-N 2.94Å; K237-I245 CarbonylContact O-C 3.59Å; K237-I245 WeakPolarHBondContact O-CA 3.4Å; K237-I245 WeakPolarHBondContact O-CG2 3.46Å; K237-A246 PolarHBondContact N-O 3.08Å; K237-A246 PolarHBondContact O-N 3.06Å; K237-E248 IonicContact NZ-OE1 2.89Å; K237-E248 IonicContact NZ-OE2 2.73Å; K237-E248 PolarHBondContact NZ-OE2 2.84Å
238R94.6Very high93.7Very high95 Ų9552.2 Ų52.236%0.35827%0.272SS..EExtended strand (participates in β ladder)trans-55.6137.5169.9-175.7178.7-178.5168.5-14.9108.9D242 V397 L399 G400R238-D242 IonicContact CZ-OD1 2.8Å; R238-D242 IonicContact NE-OD1 3.3Å; R238-D242 PolarHBondContact NE-OD1 2.6Å; R238-D242 IonicContact NH2-OD1 3.4Å; R238-D242 PolarHBondContact NH2-OD1 2.74Å; R238-D242 IonicContact NH2-OD2 2.89Å; R238-D242 PolarHBondContact NH2-OD2 2.03Å; R238-V397 HydrophobicContact CB-CG1 4.12Å; R238-L399 HydrophobicContact CB-CD2 4.48Å; R238-L399 HydrophobicContact CG-CD2 3.95Å; R238-G400 PolarHBondContact NH1-O 3.39Å
239G90.3Very high93.9Very high17 Ų1752.9 Ų52.918%0.17528%0.275CS..  trans-69.4-166.4174.400000112.4K237 D241 T244K237-G239 PolarHBondContact O-N 2.94Å; G239-D241 PolarHBondContact O-N 2.81Å; G239-T244 WeakPolarHBondContact CA-OG1 3.5Å; G239-T244 PolarHBondContact N-O 2.93Å
240L86Confident94Very high182 Ų18253.3 Ų53.395%0.95327%0.269SS*.SBendtrans-76-13.8176.8-67.1174.4000112.5
241D85.8Confident93.9Very high69 Ų6950.5 Ų50.537%0.36926%0.258SS..SBendtrans-121.7178.2174.460.239.2000110.6G239 K243 T244G239-D241 PolarHBondContact O-N 2.81Å; D241-K243 PolarHBondContact O-N 2.69Å; D241-K243 WeakPolarHBondContact OD1-CA 3.43Å; D241-K243 PolarHBondContact OD1-N 3Å; D241-T244 VanDerWaalsContact CG-OG1 3.29Å; D241-T244 VanDerWaalsContact OD1-CB 3.23Å; D241-T244 WeakPolarHBondContact OD1-CB 3.39Å; D241-T244 VanDerWaalsContact OD1-CG2 3.27Å; D241-T244 WeakPolarHBondContact OD1-CG2 3.43Å; D241-T244 PolarHBondContact OD1-N 3.4Å; D241-T244 PolarHBondContact OD1-OG1 2.62Å; D241-T244 WeakPolarHBondContact OD2-CG2 3.35Å
242D86.9Confident93.8Very high28 Ų2854.1 Ų54.115%0.1528%0.281CS..THydrogen-bonded Turntrans-95.925.8-179.9-56.3-12.3000111.7R238 R351R238-D242 IonicContact CZ-OD1 2.8Å; R238-D242 IonicContact NE-OD1 3.3Å; R238-D242 PolarHBondContact NE-OD1 2.6Å; R238-D242 IonicContact NH2-OD1 3.4Å; R238-D242 PolarHBondContact NH2-OD1 2.74Å; R238-D242 IonicContact NH2-OD2 2.89Å; R238-D242 PolarHBondContact NH2-OD2 2.03Å; D242-R351 HydrophobicContact CB-CG 3.99Å; D242-R351 VanDerWaalsContact O-CG 3.24Å; D242-R351 WeakPolarHBondContact O-CG 3.38Å; D242-R351 IonicContact OD2-CZ 2.63Å; D242-R351 IonicContact OD2-NE 3.67Å; D242-R351 IonicContact OD2-NH1 3.26Å; D242-R351 IonicContact OD2-NH2 3.39Å; D242-R351 PolarHBondContact OD2-NH2 3.01Å
243K91.5Very high93.5Very high86 Ų8651 Ų5137%0.37427%0.266SS..THydrogen-bonded Turntrans-133.8-4.4-174.8-66.1179.5165.4-161.50112.1D241 E348 L349D241-K243 PolarHBondContact O-N 2.69Å; D241-K243 WeakPolarHBondContact OD1-CA 3.43Å; D241-K243 PolarHBondContact OD1-N 3Å; K243-E348 HydrophobicContact CD-CG 4.44Å; K243-E348 WeakPolarHBondContact CD-OE1 3.24Å; K243-E348 WeakPolarHBondContact CE-OE1 3.34Å; K243-E348 IonicContact NZ-OE1 3.15Å; K243-E348 PolarHBondContact NZ-OE1 2.75Å; K243-L349 WeakPolarHBondContact O-CB 3.47Å; K243-L349 WeakPolarHBondContact O-CG 3.49Å; K243-L349 PolarHBondContact O-N 2.81Å
244T94.9Very high93Very high7 Ų751.6 Ų51.64%0.04327%0.268CS..  trans-131.2156.1-176.761.90000112.8G239 D241 I321 I322 D324 L399G239-T244 WeakPolarHBondContact CA-OG1 3.5Å; G239-T244 PolarHBondContact N-O 2.93Å; D241-T244 VanDerWaalsContact CG-OG1 3.29Å; D241-T244 VanDerWaalsContact OD1-CB 3.23Å; D241-T244 WeakPolarHBondContact OD1-CB 3.39Å; D241-T244 VanDerWaalsContact OD1-CG2 3.27Å; D241-T244 WeakPolarHBondContact OD1-CG2 3.43Å; D241-T244 PolarHBondContact OD1-N 3.4Å; D241-T244 PolarHBondContact OD1-OG1 2.62Å; D241-T244 WeakPolarHBondContact OD2-CG2 3.35Å; T244-I321 HydrophobicContact CG2-CG2 4.07Å; T244-I322 CarbonylContact C-O 3.47Å; T244-I322 WeakPolarHBondContact CA-O 3.3Å; T244-I322 WeakPolarHBondContact CB-O 3.36Å; T244-D324 HydrophobicContact CG2-CB 4.17Å; T244-L399 WeakPolarHBondContact O-CD2 3.27Å
245I95.7Very high92.6Very high0 Ų052.2 Ų52.20%027%0.271CS..EExtended strand (participates in β ladder)trans-126125.8175.9-62.8169.4000108.3A236 K237 V247 I321 I322 L349 Y355 V397 L399A236-I245 HydrophobicContact CB-CG2 3.96Å; K237-I245 CarbonylContact O-C 3.59Å; K237-I245 WeakPolarHBondContact O-CA 3.4Å; K237-I245 WeakPolarHBondContact O-CG2 3.46Å; I245-V247 HydrophobicContact CG2-CG2 3.99Å; I245-I321 CarbonylContact O-C 3.53Å; I245-I321 WeakPolarHBondContact O-CA 3.02Å; I245-I322 HydrophobicContact CB-CB 4.47Å; I245-I322 PolarHBondContact N-O 3.1Å; I245-I322 PolarHBondContact O-N 3.4Å; I245-L349 HydrophobicContact CB-CD1 4.33Å; I245-L349 HydrophobicContact CD1-CD1 3.5Å; I245-L349 HydrophobicContact CG1-CD1 3.65Å; I245-Y355 HydrophobicContact CD1-CD1 4.34Å; I245-Y355 HydrophobicContact CD1-CD2 3.87Å; I245-Y355 HydrophobicContact CD1-CG 3.54Å; I245-V397 HydrophobicContact CD1-CB 4.19Å; I245-V397 HydrophobicContact CD1-CG1 4.4Å; I245-V397 HydrophobicContact CG1-CB 4.29Å; I245-V397 HydrophobicContact CG1-CG1 4Å; I245-V397 HydrophobicContact CG2-CB 4.39Å; I245-V397 HydrophobicContact CG2-CG1 4.43Å; I245-V397 HydrophobicContact CG2-CG2 4.06Å; I245-L399 HydrophobicContact CG1-CD1 4.27Å; I245-L399 HydrophobicContact CG1-CD2 4.01Å; I245-L399 HydrophobicContact CG1-CG 4.43Å
246A95.8Very high92.2Very high8 Ų851.7 Ų51.77%0.06627%0.266CS..EExtended strand (participates in β ladder)trans-86.5126.6169.900000109.6A236 K237A236-A246 CarbonylContact C-O 3.58Å; A236-A246 WeakPolarHBondContact CA-O 3.5Å; K237-A246 PolarHBondContact N-O 3.08Å; K237-A246 PolarHBondContact O-N 3.06Å
247V97Very high91.9Very high0 Ų052 Ų520%027%0.266CS..EExtended strand (participates in β ladder)trans-116.2124.4177.3-177.40000109.4P234 V235 A236 I245 F249 L265 R319 T320 I322P234-V247 HydrophobicContact CB-CG1 3.58Å; P234-V247 HydrophobicContact CG-CG1 4.48Å; V235-V247 WeakPolarHBondContact O-CA 3.21Å; A236-V247 HydrophobicContact CB-CG2 4.16Å; I245-V247 HydrophobicContact CG2-CG2 3.99Å; V247-F249 HydrophobicContact CG1-CE1 4.16Å; V247-F249 HydrophobicContact CG1-CZ 4.11Å; V247-L265 HydrophobicContact CB-CD2 4.21Å; V247-L265 HydrophobicContact CG1-CD1 4.48Å; V247-L265 HydrophobicContact CG1-CD2 4.19Å; V247-L265 HydrophobicContact CG2-CD2 4.11Å; V247-R319 CarbonylContact O-C 3.6Å; V247-R319 VanDerWaalsContact O-CA 3.24Å; V247-R319 WeakPolarHBondContact O-CA 3.46Å; V247-T320 HydrophobicContact CB-CG2 3.86Å; V247-T320 PolarHBondContact N-O 3.06Å; V247-T320 PolarHBondContact O-N 3.34Å; V247-I322 HydrophobicContact CG2-CG1 4.33Å
248E97.2Very high91.7Very high72 Ų7246.9 Ų46.934%0.33625%0.245SC..EExtended strand (participates in β ladder)trans-108.3130.5-179.7-65.4176.7155.900110.1P234 V235 K237 R319P234-E248 WeakPolarHBondContact CA-O 3.36Å; V235-E248 HydrophobicContact CB-CB 4.49Å; V235-E248 PolarHBondContact N-O 2.97Å; V235-E248 PolarHBondContact O-N 2.89Å; K237-E248 IonicContact NZ-OE1 2.89Å; K237-E248 IonicContact NZ-OE2 2.73Å; K237-E248 PolarHBondContact NZ-OE2 2.84Å; E248-R319 HydrophobicContact CG-CB 4.45Å; E248-R319 HydrophobicContact CG-CG 4.32Å
249F96.2Very high91.6Very high19 Ų1944.3 Ų44.38%0.08324%0.24CC..  trans-102.1110.3178.2-56.5-77.1000109.1P234 V247 L265 Y313 L316 P317 R318 T320 L359P234-F249 HydrophobicContact CB-CD1 4.07Å; P234-F249 HydrophobicContact CB-CE1 4.18Å; P234-F249 HydrophobicContact CG-CD1 3.92Å; P234-F249 HydrophobicContact CG-CE1 3.89Å; V247-F249 HydrophobicContact CG1-CE1 4.16Å; V247-F249 HydrophobicContact CG1-CZ 4.11Å; F249-L265 HydrophobicContact CZ-CD2 4.19Å; F249-Y313 HydrophobicContact CE2-CE2 4.47Å; F249-Y313 HydrophobicContact CZ-CE2 4.18Å; F249-L316 HydrophobicContact CB-CD2 3.95Å; F249-L316 HydrophobicContact CB-CG 4.13Å; F249-L316 HydrophobicContact CD1-CD1 3.87Å; F249-L316 HydrophobicContact CD1-CD2 4.22Å; F249-L316 HydrophobicContact CD1-CG 4.25Å; F249-L316 HydrophobicContact CD2-CD1 4.24Å; F249-L316 HydrophobicContact CD2-CG 4.33Å; F249-L316 HydrophobicContact CE1-CD1 3.97Å; F249-L316 HydrophobicContact CE2-CD1 4.31Å; F249-L316 HydrophobicContact CG-CD1 3.99Å; F249-L316 HydrophobicContact CG-CD2 4.15Å; F249-L316 HydrophobicContact CG-CG 3.98Å; F249-L316 HydrophobicContact CZ-CD1 4.17Å; F249-P317 WeakPolarHBondContact CB-O 3.44Å; F249-P317 HydrophobicContact CD2-CG 4.28Å; F249-P317 WeakPolarHBondContact CD2-O 3.29Å; F249-P317 HydrophobicContact CE2-CG 4.02Å; F249-R318 PolarHBondContact N-O 3.14Å; F249-T320 HydrophobicContact CE2-CG2 3.86Å; F249-T320 HydrophobicContact CZ-CG2 4.13Å; F249-L359 HydrophobicContact CD1-CD2 4.04Å; F249-L359 HydrophobicContact CE1-CD1 3.88Å; F249-L359 HydrophobicContact CE1-CD2 4.19Å; F249-L359 HydrophobicContact CE1-CG 4.48Å
250Q92.5Very high91.6Very high121 Ų12145 Ų4557%0.56524%0.239SC*.  trans-73-38.1-172.1-67.2-175.776.400112.9E232 V235E232-Q250 PolarHBondContact OE1-NE2 3.26Å; E232-Q250 VanDerWaalsContact OE1-NE2 3.13Å; E232-Q250 PolarHBondContact OE1-OE1 2.88Å; E232-Q250 WeakPolarHBondContact OE2-CB 3.28Å; V235-Q250 HydrophobicContact CG2-CG 4.17Å; V235-Q250 VanDerWaalsContact CG2-NE2 3.29Å
251S90.9Very high91.9Very high56 Ų5638.4 Ų38.439%0.39221%0.207SC..  trans-145.9153.6179.7660000111.8E232E232-S251 WeakPolarHBondContact OE2-CB 3.06Å; E232-S251 PolarHBondContact OE2-OG 3.07Å
252V90.8Very high92.2Very high83 Ų8335.1 Ų35.150%0.50319%0.189SC..PPolyproline II helixtrans-84.8130.8170-176.60000107.8Y263V252-Y263 WeakPolarHBondContact CG1-OH 3.3Å
253P91.2Very high92.5Very high6 Ų634.4 Ų34.44%0.03918%0.184CC..PPolyproline II helixtrans-60.2149.7176.7-23.434.2000112.3P228 I231 I260 Y263P228-P253 HydrophobicContact CB-CB 4.19Å; P228-P253 HydrophobicContact CG-CB 4.42Å; I231-P253 HydrophobicContact CB-CG 4.34Å; I231-P253 HydrophobicContact CG1-CB 4.28Å; I231-P253 HydrophobicContact CG1-CG 4.04Å; I231-P253 HydrophobicContact CG2-CG 3.95Å; P253-I260 HydrophobicContact CB-CD1 3.87Å; P253-I260 HydrophobicContact CG-CD1 4.44Å; P253-Y263 HydrophobicContact CG-CE1 4.1Å
254D87.4Confident92.7Very high62 Ų6230.3 Ų30.333%0.33217%0.167SC..PPolyproline II helixtrans-67.6145.3176.269.389.5000112.1P228 I256P228-D254 WeakPolarHBondContact CB-O 3.44Å; D254-I256 WeakPolarHBondContact OD1-CG2 3.43Å
255D87.9Confident92.8Very high18 Ų1830 Ų3010%0.09616%0.164CC..  trans-103.422.1-179.556.426.8000112.5V151 N257 G258V151-D255 HydrophobicContact CB-CB 4.42Å; V151-D255 WeakPolarHBondContact CB-OD2 3.37Å; V151-D255 WeakPolarHBondContact CG1-OD2 3.06Å; D255-N257 PolarHBondContact O-N 3.1Å; D255-G258 CarbonylContact C-O 3.47Å; D255-G258 WeakPolarHBondContact CA-O 3.28Å; D255-G258 WeakPolarHBondContact CB-O 3.11Å; D255-G258 CarbonylContact O-C 3.59Å; D255-G258 PolarHBondContact O-N 2.86Å; D255-G258 VanDerWaalsContact O-O 3.05Å
256I89.5Confident92.9Very high37 Ų3730 Ų3019%0.1916%0.164CC..THydrogen-bonded Turntrans-63.3-29.9-173.2-156.3-178.5000112.8V147 T157 N196 R197 D254 G258V147-I256 HydrophobicContact CG2-CD1 4.44Å; V147-I256 HydrophobicContact CG2-CG1 4.13Å; T157-I256 HydrophobicContact CG2-CD1 4.16Å; T157-I256 WeakPolarHBondContact OG1-CD1 3.43Å; N196-I256 PolarHBondContact ND2-O 2.85Å; R197-I256 PolarHBondContact NH1-O 3.39Å; D254-I256 WeakPolarHBondContact OD1-CG2 3.43Å; I256-G258 VanDerWaalsContact C-N 3.35Å
257N92.5Very high93Very high17 Ų1729.6 Ų29.69%0.09116%0.161CC..THydrogen-bonded Turntrans-88.5-5.7179.9-70.7-17.3000112.6S195 N196 F225 G226 P227 T229 D255S195-N257 WeakPolarHBondContact CB-O 3.4Å; N196-N257 VanDerWaalsContact CB-C 3.43Å; N196-N257 VanDerWaalsContact CB-O 3.22Å; N196-N257 WeakPolarHBondContact CB-O 3.35Å; F225-N257 CarbonylContact C-O 3.57Å; F225-N257 WeakPolarHBondContact CA-O 3.07Å; G226-N257 PolarHBondContact N-O 2.69Å; G226-N257 CarbonylContact O-C 3.54Å; G226-N257 WeakPolarHBondContact O-CB 3.16Å; P227-N257 WeakPolarHBondContact O-CB 3.26Å; P227-N257 PolarHBondContact O-ND2 3.46Å; T229-N257 PolarHBondContact OG1-ND2 3.02Å; D255-N257 PolarHBondContact O-N 3.1Å
258G91.1Very high92.9Very high2 Ų229.6 Ų29.62%0.02116%0.161CC..SBendtrans145.3163.1-179.400000111.9D255 I256 I260D255-G258 CarbonylContact C-O 3.47Å; D255-G258 WeakPolarHBondContact CA-O 3.28Å; D255-G258 WeakPolarHBondContact CB-O 3.11Å; D255-G258 CarbonylContact O-C 3.59Å; D255-G258 PolarHBondContact O-N 2.86Å; D255-G258 VanDerWaalsContact O-O 3.05Å; I256-G258 VanDerWaalsContact C-N 3.35Å; G258-I260 PolarHBondContact O-N 3.08Å
259P91.5Very high92.8Very high40 Ų4026.1 Ų26.126%0.2615%0.145SC..  trans-64.4128.1177.628.2-33.7000110.6V151 F225 T261V151-P259 HydrophobicContact CG2-CB 4.34Å; F225-P259 HydrophobicContact CD2-CG 3.92Å; F225-P259 HydrophobicContact CE2-CG 3.81Å; F225-P259 HydrophobicContact CZ-CG 4.33Å; P259-T261 PolarHBondContact O-N 2.9Å
260I92.2Very high92.6Very high31 Ų3125.3 Ų25.316%0.15914%0.142CC..  trans-69.4124167.7-59.7168.4000107.4P228 P253 G258 Y263 A361 V363P228-I260 HydrophobicContact CG-CD1 4.41Å; P253-I260 HydrophobicContact CB-CD1 3.87Å; P253-I260 HydrophobicContact CG-CD1 4.44Å; G258-I260 PolarHBondContact O-N 3.08Å; I260-Y263 HydrophobicContact CD1-CE1 4.07Å; I260-Y263 VanDerWaalsContact CD1-OH 3.28Å; I260-Y263 WeakPolarHBondContact CD1-OH 3.44Å; I260-Y263 HydrophobicContact CG2-CD1 4.29Å; I260-Y263 HydrophobicContact CG2-CD2 4.36Å; I260-Y263 HydrophobicContact CG2-CE1 3.77Å; I260-Y263 HydrophobicContact CG2-CE2 3.82Å; I260-Y263 VanDerWaalsContact CG2-CZ 3.5Å; I260-A361 HydrophobicContact CD1-CB 4.5Å; I260-A361 HydrophobicContact CG2-CB 4.07Å; I260-V363 HydrophobicContact CG1-CG2 4.35Å
261T91.1Very high92.4Very high44 Ų4421.5 Ų21.527%0.2713%0.127SC..  trans-83.1-41.8-176.6-53.70000110.8P259 R362 D364P259-T261 PolarHBondContact O-N 2.9Å; T261-R362 PolarHBondContact N-O 2.82Å; T261-D364 PolarHBondContact OG1-N 2.83Å
262C91.9Very high92.1Very high0 Ų021.5 Ų21.50%012%0.122CC..EExtended strand (participates in β ladder)trans-165.6172.3175.261.40000110.9F264 Y313 Y314 L336 R362C262-F264 WeakPolarHBondContact SG-CE2 3.39Å; C262-F264 VanDerWaalsContact SG-CZ 3.51Å; C262-Y313 CarbonylContact C-O 3.54Å; C262-Y313 WeakPolarHBondContact CA-O 3.46Å; C262-Y313 VanDerWaalsContact CB-O 3.27Å; C262-Y313 WeakPolarHBondContact CB-O 3.11Å; C262-Y314 HydrophobicContact CB-CD1 4.31Å; C262-L336 HydrophobicContact CB-CD1 3.79Å; C262-L336 HydrophobicContact CB-CD2 3.65Å; C262-L336 HydrophobicContact CB-CG 4.36Å; C262-R362 PolarHBondContact O-N 2.84Å
263Y94.6Very high91.6Very high13 Ų1324.9 Ų24.95%0.05114%0.137CC..EExtended strand (participates in β ladder)trans-120.3149.5176.7-56.7-90.7000110.3V252 P253 I260 A312 Y313 L316 L359 I360 A361V252-Y263 WeakPolarHBondContact CG1-OH 3.3Å; P253-Y263 HydrophobicContact CG-CE1 4.1Å; I260-Y263 HydrophobicContact CD1-CE1 4.07Å; I260-Y263 VanDerWaalsContact CD1-OH 3.28Å; I260-Y263 WeakPolarHBondContact CD1-OH 3.44Å; I260-Y263 HydrophobicContact CG2-CD1 4.29Å; I260-Y263 HydrophobicContact CG2-CD2 4.36Å; I260-Y263 HydrophobicContact CG2-CE1 3.77Å; I260-Y263 HydrophobicContact CG2-CE2 3.82Å; I260-Y263 VanDerWaalsContact CG2-CZ 3.5Å; Y263-A312 CarbonylContact O-C 3.52Å; Y263-A312 VanDerWaalsContact O-CA 3.26Å; Y263-A312 WeakPolarHBondContact O-CA 3.33Å; Y263-Y313 PolarHBondContact N-O 2.59Å; Y263-Y313 PolarHBondContact O-N 2.96Å; Y263-L316 HydrophobicContact CD1-CD1 4.01Å; Y263-L316 HydrophobicContact CD2-CB 3.95Å; Y263-L316 HydrophobicContact CD2-CD1 4.27Å; Y263-L316 HydrophobicContact CE1-CB 4.42Å; Y263-L316 HydrophobicContact CE1-CD2 4.38Å; Y263-L316 HydrophobicContact CE2-CB 3.83Å; Y263-L316 HydrophobicContact CG-CB 4.31Å; Y263-L316 HydrophobicContact CG-CD1 3.84Å; Y263-L359 HydrophobicContact CD1-CD1 4.32Å; Y263-L359 HydrophobicContact CD1-CD2 4.4Å; Y263-I360 CarbonylContact C-O 3.48Å; Y263-I360 WeakPolarHBondContact CA-O 3.5Å; Y263-A361 HydrophobicContact CD1-CB 4.05Å; Y263-A361 HydrophobicContact CE1-CB 4.09Å
264F95.7Very high91.1Very high0 Ų026 Ų260%014%0.144CC..EExtended strand (participates in β ladder)trans-129.3137.4171.2-53.4-87.4000109.6C262 I309 E311 A312 L336 F338 I360 R362 Y388C262-F264 WeakPolarHBondContact SG-CE2 3.39Å; C262-F264 VanDerWaalsContact SG-CZ 3.51Å; F264-I309 HydrophobicContact CB-CD1 4.23Å; F264-I309 HydrophobicContact CB-CG2 4.16Å; F264-I309 HydrophobicContact CD1-CG2 4.02Å; F264-E311 CarbonylContact C-O 3.54Å; F264-E311 WeakPolarHBondContact CA-O 3.44Å; F264-A312 HydrophobicContact CD1-CB 3.7Å; F264-A312 HydrophobicContact CE1-CB 3.99Å; F264-L336 HydrophobicContact CE1-CB 4.05Å; F264-F338 HydrophobicContact CD1-CB 3.99Å; F264-F338 HydrophobicContact CD2-CB 4.49Å; F264-F338 AromaticContact CD2-CD2 3.93Å; F264-F338 HydrophobicContact CD2-CD2 3.93Å; F264-F338 HydrophobicContact CE1-CB 3.94Å; F264-F338 HydrophobicContact CE2-CB 4.46Å; F264-F338 HydrophobicContact CE2-CD2 4.05Å; F264-F338 HydrophobicContact CG-CB 4.26Å; F264-F338 HydrophobicContact CG-CD2 4.34Å; F264-F338 HydrophobicContact CZ-CB 4.18Å; F264-I360 HydrophobicContact CB-CB 4.15Å; F264-I360 HydrophobicContact CB-CD1 4.35Å; F264-I360 HydrophobicContact CD2-CB 4.46Å; F264-I360 PolarHBondContact N-O 2.66Å; F264-I360 PolarHBondContact O-N 2.89Å; F264-R362 HydrophobicContact CE2-CB 3.96Å; F264-Y388 HydrophobicContact CE2-CE1 4.22Å
265L96.7Very high90.7Very high0 Ų026.8 Ų26.80%015%0.148CC..EExtended strand (participates in β ladder)trans-103.6113.6172.4178.357.6000108.9V247 F249 I267 A310 E311 Y313 T320 I322 F394V247-L265 HydrophobicContact CB-CD2 4.21Å; V247-L265 HydrophobicContact CG1-CD1 4.48Å; V247-L265 HydrophobicContact CG1-CD2 4.19Å; V247-L265 HydrophobicContact CG2-CD2 4.11Å; F249-L265 HydrophobicContact CZ-CD2 4.19Å; L265-I267 HydrophobicContact CG-CD1 4.35Å; L265-A310 PolarHBondContact O-N 3.48Å; L265-E311 HydrophobicContact CB-CB 4.21Å; L265-E311 PolarHBondContact N-O 3.06Å; L265-E311 PolarHBondContact O-N 3.39Å; L265-Y313 HydrophobicContact CB-CE2 4.34Å; L265-T320 HydrophobicContact CD2-CG2 3.79Å; L265-I322 HydrophobicContact CD2-CD1 3.79Å; L265-I322 HydrophobicContact CD2-CG1 3.96Å; L265-F394 HydrophobicContact CD1-CE1 4.39Å
266A97.8Very high90.2Very high0 Ų028.8 Ų28.80%016%0.156CC..EExtended strand (participates in β ladder)trans-96.9136.117900000110.7F287 A307 Y308 I309 G357 F358 I360A266-F287 HydrophobicContact CB-CE1 3.81Å; A266-F287 HydrophobicContact CB-CZ 4.45Å; A266-A307 HydrophobicContact CB-CB 4.4Å; A266-Y308 CarbonylContact C-O 3.54Å; A266-Y308 VanDerWaalsContact CA-O 3.28Å; A266-Y308 WeakPolarHBondContact CA-O 3.48Å; A266-I309 HydrophobicContact CB-CD1 4.15Å; A266-G357 CarbonylContact O-C 3.47Å; A266-G357 WeakPolarHBondContact O-CA 3.49Å; A266-F358 HydrophobicContact CB-CD1 4.23Å; A266-F358 HydrophobicContact CB-CD2 4.12Å; A266-F358 HydrophobicContact CB-CE1 3.83Å; A266-F358 HydrophobicContact CB-CE2 3.72Å; A266-F358 HydrophobicContact CB-CG 4.38Å; A266-F358 HydrophobicContact CB-CZ 3.57Å; A266-F358 PolarHBondContact N-O 2.87Å; A266-F358 PolarHBondContact O-N 2.72Å; A266-I360 HydrophobicContact CB-CD1 4.17Å
267I97.4Very high89.7Confident0 Ų031.7 Ų31.70%018%0.18CC..EExtended strand (participates in β ladder)trans-121.4140.2179.4-59.4-65.5000109.7L265 A307 Y308 A310 I322 Y355 I356 F394L265-I267 HydrophobicContact CG-CD1 4.35Å; I267-A307 CarbonylContact O-C 3.52Å; I267-A307 VanDerWaalsContact O-CA 3.25Å; I267-A307 WeakPolarHBondContact O-CA 3.06Å; I267-Y308 HydrophobicContact CB-CD1 4.38Å; I267-Y308 HydrophobicContact CB-CE1 3.76Å; I267-Y308 HydrophobicContact CB-CE2 4.32Å; I267-Y308 HydrophobicContact CG2-CE1 3.78Å; I267-Y308 PolarHBondContact N-O 2.9Å; I267-Y308 WeakPolarHBondContact O-CD1 3.33Å; I267-Y308 PolarHBondContact O-N 2.84Å; I267-A310 HydrophobicContact CB-CB 4.46Å; I267-A310 HydrophobicContact CG1-CB 3.63Å; I267-I322 HydrophobicContact CD1-CG1 4.42Å; I267-I322 HydrophobicContact CG1-CG2 4.18Å; I267-Y355 HydrophobicContact CG2-CD1 4.08Å; I267-I356 CarbonylContact C-O 3.59Å; I267-I356 WeakPolarHBondContact CA-O 3.02Å; I267-F394 HydrophobicContact CD1-CE1 3.98Å; I267-F394 HydrophobicContact CD1-CZ 3.75Å
268I95.4Very high89.3Confident0 Ų037.1 Ų37.10%021%0.205CC..EExtended strand (participates in β ladder)trans-120.3109.1176.1-52.3171.9000107.6M285 I305 A307 I356 F358 Y393I268-M285 HydrophobicContact CD1-CE 3.69Å; I268-M285 HydrophobicContact CD1-CG 4.16Å; I268-M285 HydrophobicContact CD1-SD 3.76Å; I268-M285 HydrophobicContact CG1-CE 4.01Å; I268-M285 HydrophobicContact CG2-CE 4.19Å; I268-I305 HydrophobicContact CG2-CG2 3.5Å; I268-A307 HydrophobicContact CG1-CB 3.74Å; I268-I356 HydrophobicContact CB-CG2 3.66Å; I268-I356 HydrophobicContact CD1-CG2 4.08Å; I268-I356 HydrophobicContact CG1-CG2 4.29Å; I268-I356 HydrophobicContact CG2-CG2 4.29Å; I268-I356 PolarHBondContact N-O 2.91Å; I268-I356 PolarHBondContact O-N 3.16Å; I268-F358 HydrophobicContact CD1-CE1 4.08Å; I268-F358 HydrophobicContact CG1-CE1 4.44Å; I268-Y393 HydrophobicContact CD1-CD1 4.4Å; I268-Y393 HydrophobicContact CD1-CE1 3.57Å
269P94.7Very high89.2Confident0 Ų037.9 Ų37.90%021%0.208CC..EExtended strand (participates in β ladder)trans-74.1134.1168.429.9-31.8000109.6M294 N297 L298 Y355P269-M294 HydrophobicContact CB-SD 3.53Å; P269-M294 VanDerWaalsContact CB-SD 3.53Å; P269-M294 HydrophobicContact CG-CG 4.5Å; P269-M294 HydrophobicContact CG-SD 3.64Å; P269-N297 HydrophobicContact CG-CB 4.23Å; P269-N297 WeakPolarHBondContact O-CB 3.49Å; P269-N297 PolarHBondContact O-ND2 2.8Å; P269-L298 HydrophobicContact CB-CD1 4.25Å; P269-L298 HydrophobicContact CB-CD2 3.91Å; P269-L298 HydrophobicContact CB-CG 4.15Å; P269-Y355 HydrophobicContact CB-CD1 4.12Å; P269-Y355 HydrophobicContact CB-CE1 3.81Å
270C91.4Very high89.3Confident1 Ų138.2 Ų38.21%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-136142.9-175.9-71.20000111.4V274 K354C270-V274 HydrophobicContact CB-CB 4.08Å; C270-V274 HydrophobicContact CB-CG1 4.48Å; C270-V274 HydrophobicContact CB-CG2 4.06Å; C270-K354 WeakPolarHBondContact CA-O 3.44Å; C270-K354 HydrophobicContact CB-CB 4.37Å; C270-K354 WeakPolarHBondContact CB-O 3.12Å; C270-K354 PolarHBondContact N-O 2.91Å; C270-K354 PolarHBondContact O-N 3.45Å
271T88.9Confident89.4Confident41 Ų4140.4 Ų40.425%0.25223%0.227SC..  trans-67.7160165.569.20000111.2N273 V274 Y353T271-N273 PolarHBondContact O-N 2.88Å; T271-N273 VanDerWaalsContact O-N 3.1Å; T271-V274 PolarHBondContact O-N 2.78Å; T271-Y353 HydrophobicContact CG2-CE1 4.33Å
272L84.1Confident89.6Confident56 Ų5639.1 Ų39.129%0.29322%0.219SC..THydrogen-bonded Turntrans-55.6-29.6179.3-73174000113.5K354 Y398L272-K354 HydrophobicContact CD2-CD 4.33Å; L272-K354 HydrophobicContact CD2-CG 4.02Å; L272-K354 PolarHBondContact O-NZ 2.91Å; L272-Y398 HydrophobicContact CD2-CD2 3.68Å; L272-Y398 HydrophobicContact CD2-CE2 3.42Å; L272-Y398 VanDerWaalsContact CD2-CE2 3.42Å; L272-Y398 HydrophobicContact CG-CE2 4.3Å
273N81.4Confident89.8Confident154 Ų15441.8 Ų41.882%0.82424%0.241SC*.THydrogen-bonded Turntrans-85.7-10.3-174-63.5-21.9000113.9T271 N275T271-N273 PolarHBondContact O-N 2.88Å; T271-N273 VanDerWaalsContact O-N 3.1Å; N273-N275 PolarHBondContact O-N 2.66Å
274V79.3Confident89.8Confident29 Ų2949.6 Ų49.618%0.17627%0.271CS..  trans-64.8122.1179177.90000109.5C270 T271 L279 I305C270-V274 HydrophobicContact CB-CB 4.08Å; C270-V274 HydrophobicContact CB-CG1 4.48Å; C270-V274 HydrophobicContact CB-CG2 4.06Å; T271-V274 PolarHBondContact O-N 2.78Å; V274-L279 HydrophobicContact CG1-CD2 4.49Å; V274-I305 HydrophobicContact CG1-CD1 4.11Å
275N79.3Confident89.7Confident79 Ų7950 Ų5042%0.42227%0.274SS..  trans-83117.1171.9-174.8-2.9000110N273 S277 Q278N273-N275 PolarHBondContact O-N 2.66Å; N275-S277 VanDerWaalsContact CG-OG 3.27Å; N275-S277 PolarHBondContact ND2-OG 2.86Å; N275-S277 VanDerWaalsContact ND2-OG 3.11Å; N275-S277 PolarHBondContact O-N 2.95Å; N275-S277 PolarHBondContact OD1-N 2.9Å; N275-S277 VanDerWaalsContact OD1-N 3.14Å; N275-S277 PolarHBondContact OD1-OG 2.79Å; N275-Q278 HydrophobicContact CB-CG 4.16Å; N275-Q278 WeakPolarHBondContact O-CB 3.29Å; N275-Q278 PolarHBondContact O-N 2.77Å
276F77.7Confident89.6Confident60 Ų6053.7 Ų53.726%0.26329%0.293SS..G310 helixtrans-60.8-26.3-178.5-56.9-70000114Q278 L279 K354 I356 P396F276-Q278 PolarHBondContact O-N 2.9Å; F276-L279 HydrophobicContact CD1-CD1 4.13Å; F276-L279 PolarHBondContact O-N 2.76Å; F276-K354 HydrophobicContact CE2-CD 4.16Å; F276-K354 HydrophobicContact CZ-CB 4.34Å; F276-K354 HydrophobicContact CZ-CD 3.62Å; F276-I356 HydrophobicContact CD1-CD1 3.77Å; F276-I356 HydrophobicContact CE1-CD1 4.24Å; F276-P396 HydrophobicContact CD1-CG 3.78Å; F276-P396 HydrophobicContact CD2-CG 3.81Å; F276-P396 HydrophobicContact CE1-CB 3.79Å; F276-P396 HydrophobicContact CE1-CG 3.37Å; F276-P396 HydrophobicContact CE2-CB 4Å; F276-P396 HydrophobicContact CE2-CG 3.41Å; F276-P396 VanDerWaalsContact CE2-CG 3.41Å; F276-P396 HydrophobicContact CG-CG 3.98Å; F276-P396 HydrophobicContact CZ-CB 3.41Å; F276-P396 VanDerWaalsContact CZ-CB 3.41Å; F276-P396 HydrophobicContact CZ-CG 3.17Å
277S79.8Confident89.5Confident98 Ų9855 Ų5569%0.68530%0.299SS*.G310 helixtrans-69.5-10.9176.268.10000113.6N275N275-S277 VanDerWaalsContact CG-OG 3.27Å; N275-S277 PolarHBondContact ND2-OG 2.86Å; N275-S277 VanDerWaalsContact ND2-OG 3.11Å; N275-S277 PolarHBondContact O-N 2.95Å; N275-S277 PolarHBondContact OD1-N 2.9Å; N275-S277 VanDerWaalsContact OD1-N 3.14Å; N275-S277 PolarHBondContact OD1-OG 2.79Å
278Q84Confident89.4Confident132 Ų13256 Ų5662%0.61730%0.304SS*.G310 helixtrans-95.9-6.7177-61.4178.6-23.100113.1N275 F276N275-Q278 HydrophobicContact CB-CG 4.16Å; N275-Q278 WeakPolarHBondContact O-CB 3.29Å; N275-Q278 PolarHBondContact O-N 2.77Å; F276-Q278 PolarHBondContact O-N 2.9Å
279L88.6Confident89.3Confident18 Ų1858 Ų589%0.09432%0.316CS..SBendtrans-67.3138.9174.2-67.2176.7000109.6V274 F276 I305 I356 Y393V274-L279 HydrophobicContact CG1-CD2 4.49Å; F276-L279 HydrophobicContact CD1-CD1 4.13Å; F276-L279 PolarHBondContact O-N 2.76Å; L279-I305 HydrophobicContact CD2-CD1 3.75Å; L279-I305 HydrophobicContact CD2-CG2 4.36Å; L279-I356 HydrophobicContact CD1-CD1 4.28Å; L279-I356 HydrophobicContact CD1-CG2 4.05Å; L279-Y393 HydrophobicContact CB-CE2 4.2Å
280P92.5Very high89.3Confident47 Ų4759.7 Ų59.731%0.30532%0.323SS..PPolyproline II helixtrans-61.7161.3171.629.3-35.1000109.8M285 Y393P280-M285 HydrophobicContact CG-SD 3.77Å; P280-Y393 WeakPolarHBondContact O-CE2 3.36Å; P280-Y393 PolarHBondContact O-OH 2.9Å
281P94.7Very high89.4Confident77 Ų7765.1 Ų65.150%0.535%0.348SS..PPolyproline II helixtrans-58.4148.3169.4-21.431.7000111.1A283 Y284 M285P281-A283 PolarHBondContact O-N 2.96Å; P281-Y284 HydrophobicContact CB-CD2 3.97Å; P281-Y284 HydrophobicContact CG-CD2 3.95Å; P281-Y284 HydrophobicContact CG-CE2 4.43Å; P281-Y284 PolarHBondContact O-N 2.03Å; P281-M285 PolarHBondContact O-N 3.02Å
282P96.3Very high89.5Confident16 Ų1670.1 Ų70.110%0.10436%0.363CS..G310 helixtrans-49.8-36.1-177.2-33.238000115.5Y284 M285 F358 F390 S391 Y393P282-Y284 PolarHBondContact O-N 3.07Å; P282-M285 WeakPolarHBondContact O-CB 3.37Å; P282-M285 PolarHBondContact O-N 3.36Å; P282-F358 HydrophobicContact CB-CB 4.48Å; P282-F358 HydrophobicContact CB-CD1 4.24Å; P282-F358 HydrophobicContact CB-CD2 3.74Å; P282-F358 HydrophobicContact CB-CE1 4.4Å; P282-F358 HydrophobicContact CB-CE2 3.91Å; P282-F358 HydrophobicContact CB-CG 3.9Å; P282-F358 HydrophobicContact CB-CZ 4.23Å; P282-F358 HydrophobicContact CG-CB 4.46Å; P282-F358 HydrophobicContact CG-CD1 4.47Å; P282-F358 HydrophobicContact CG-CG 4.27Å; P282-F390 HydrophobicContact CB-CB 3.9Å; P282-F390 HydrophobicContact CB-CD1 4.27Å; P282-F390 HydrophobicContact CB-CG 4.36Å; P282-S391 WeakPolarHBondContact CG-O 3.25Å; P282-Y393 HydrophobicContact CG-CD1 4.3Å; P282-Y393 HydrophobicContact CG-CD2 4.13Å; P282-Y393 HydrophobicContact CG-CE1 3.94Å; P282-Y393 HydrophobicContact CG-CE2 3.76Å; P282-Y393 HydrophobicContact CG-CG 4.38Å
283A95Very high90Very high56 Ų5667.5 Ų67.546%0.46335%0.349SS..G310 helixtrans-65.8-17.3178.100000114.5P281 F390P281-A283 PolarHBondContact O-N 2.96Å; A283-F390 HydrophobicContact CB-CD2 3.77Å; A283-F390 HydrophobicContact CB-CE2 3.88Å; A283-F390 HydrophobicContact CB-CG 4.32Å; A283-F390 HydrophobicContact CB-CZ 4.49Å
284Y95.3Very high90.5Very high177 Ų17760.4 Ų60.469%0.69431%0.311SS*.G310 helixtrans-113.510.8179.1-57.1-68.4000112.4P281 P282P281-Y284 HydrophobicContact CB-CD2 3.97Å; P281-Y284 HydrophobicContact CG-CD2 3.95Å; P281-Y284 HydrophobicContact CG-CE2 4.43Å; P281-Y284 PolarHBondContact O-N 2.03Å; P282-Y284 PolarHBondContact O-N 3.07Å
285M94.5Very high91.1Very high10 Ų1064.3 Ų64.35%0.04933%0.327CS..  trans-68.8138.4178.8-166.662-158.700110.6I268 P280 P281 P282 F287 I305 A307 F358I268-M285 HydrophobicContact CD1-CE 3.69Å; I268-M285 HydrophobicContact CD1-CG 4.16Å; I268-M285 HydrophobicContact CD1-SD 3.76Å; I268-M285 HydrophobicContact CG1-CE 4.01Å; I268-M285 HydrophobicContact CG2-CE 4.19Å; P280-M285 HydrophobicContact CG-SD 3.77Å; P281-M285 PolarHBondContact O-N 3.02Å; P282-M285 WeakPolarHBondContact O-CB 3.37Å; P282-M285 PolarHBondContact O-N 3.36Å; M285-F287 HydrophobicContact CB-CE2 4.22Å; M285-F287 WeakPolarHBondContact O-CD2 3.33Å; M285-F287 VanDerWaalsContact O-CE2 3.26Å; M285-F287 WeakPolarHBondContact O-CE2 3.03Å; M285-I305 VanDerWaalsContact CE-C 3.49Å; M285-I305 HydrophobicContact CE-CB 4.09Å; M285-I305 HydrophobicContact CE-CG2 3.73Å; M285-I305 WeakPolarHBondContact CE-O 3.38Å; M285-A307 HydrophobicContact CE-CB 4.31Å; M285-A307 HydrophobicContact CG-CB 3.76Å; M285-F358 HydrophobicContact CB-CE1 4.4Å; M285-F358 HydrophobicContact CB-CZ 4.03Å; M285-F358 HydrophobicContact CG-CE1 4.22Å; M285-F358 HydrophobicContact CG-CZ 4.2Å
286N94.4Very high91.5Very high76 Ų7661.8 Ų61.841%0.40632%0.316SS..EExtended strand (participates in β ladder)trans-79.2144.4171.7-65.7-62.3000109.9P304 F306 A307N286-P304 WeakPolarHBondContact ND2-CB 3.05Å; N286-F306 HydrophobicContact CB-CD1 3.72Å; N286-F306 HydrophobicContact CB-CE1 3.93Å; N286-F306 CarbonylContact O-C 3.37Å; N286-F306 WeakPolarHBondContact O-CA 3.33Å; N286-A307 PolarHBondContact O-N 3.03Å
287F95.7Very high92.2Very high27 Ų2759.8 Ų59.812%0.11831%0.308CS..EExtended strand (participates in β ladder)trans-118.1143.2-179.9-69.6-96.8000111.1A266 M285 A307 I309 F338 F342 F358 I360A266-F287 HydrophobicContact CB-CE1 3.81Å; A266-F287 HydrophobicContact CB-CZ 4.45Å; M285-F287 HydrophobicContact CB-CE2 4.22Å; M285-F287 WeakPolarHBondContact O-CD2 3.33Å; M285-F287 VanDerWaalsContact O-CE2 3.26Å; M285-F287 WeakPolarHBondContact O-CE2 3.03Å; F287-A307 CarbonylContact C-O 3.48Å; F287-A307 VanDerWaalsContact CA-O 3.22Å; F287-A307 WeakPolarHBondContact CA-O 3.23Å; F287-A307 HydrophobicContact CD1-CB 3.93Å; F287-A307 HydrophobicContact CE1-CB 3.91Å; F287-I309 HydrophobicContact CD1-CD1 3.82Å; F287-I309 HydrophobicContact CD1-CG1 4.43Å; F287-I309 HydrophobicContact CE1-CD1 3.59Å; F287-F338 HydrophobicContact CD1-CD1 4.07Å; F287-F338 AromaticContact CD1-CE1 3.86Å; F287-F338 HydrophobicContact CD1-CE1 3.86Å; F287-F338 AromaticContact CD2-CE1 3.68Å; F287-F338 HydrophobicContact CD2-CE1 3.68Å; F287-F338 HydrophobicContact CE1-CD1 4.17Å; F287-F338 AromaticContact CE1-CE1 3.74Å; F287-F338 HydrophobicContact CE1-CE1 3.74Å; F287-F338 AromaticContact CE2-CE1 3.57Å; F287-F338 HydrophobicContact CE2-CE1 3.57Å; F287-F338 HydrophobicContact CE2-CZ 4.04Å; F287-F338 HydrophobicContact CG-CD1 4.25Å; F287-F338 AromaticContact CG-CE1 3.82Å; F287-F338 HydrophobicContact CG-CE1 3.82Å; F287-F338 HydrophobicContact CZ-CD1 4.45Å; F287-F338 AromaticContact CZ-CE1 3.59Å; F287-F338 HydrophobicContact CZ-CE1 3.59Å; F287-F338 HydrophobicContact CZ-CZ 4.01Å; F287-F342 HydrophobicContact CB-CD1 4.35Å; F287-F342 HydrophobicContact CB-CD2 3.9Å; F287-F342 HydrophobicContact CB-CE1 4.11Å; F287-F342 HydrophobicContact CB-CE2 3.61Å; F287-F342 HydrophobicContact CB-CG 4.25Å; F287-F342 HydrophobicContact CB-CZ 3.72Å; F287-F342 WeakPolarHBondContact O-CE1 3.35Å; F287-F342 VanDerWaalsContact O-CZ 3.27Å; F287-F342 WeakPolarHBondContact O-CZ 3.46Å; F287-F358 HydrophobicContact CE1-CZ 4.18Å; F287-F358 AromaticContact CZ-CE2 3.96Å; F287-F358 HydrophobicContact CZ-CE2 3.96Å; F287-F358 AromaticContact CZ-CZ 3.68Å; F287-F358 HydrophobicContact CZ-CZ 3.68Å; F287-I360 HydrophobicContact CE1-CD1 4.05Å; F287-I360 HydrophobicContact CZ-CD1 3.83Å
288D94.5Very high92.6Very high22 Ų2255.9 Ų55.912%0.11828%0.279CS..  trans-144.7176.4169.7-146.7-23.4000110.9R292 F306 A307 Y308D288-R292 HydrophobicContact CB-CB 4.3Å; D288-R292 IonicContact OD1-CZ 2.56Å; D288-R292 IonicContact OD1-NE 3.99Å; D288-R292 PolarHBondContact OD1-NE 2.99Å; D288-R292 IonicContact OD1-NH2 3.93Å; D288-R292 PolarHBondContact OD1-NH2 2.86Å; D288-R292 WeakPolarHBondContact OD2-CB 3.31Å; D288-R292 IonicContact OD2-CZ 3.07Å; D288-R292 IonicContact OD2-NE 2.91Å; D288-R292 PolarHBondContact OD2-NE 3.29Å; D288-R292 IonicContact OD2-NH2 3.2Å; D288-F306 HydrophobicContact CB-CB 4.13Å; D288-F306 HydrophobicContact CB-CD1 3.84Å; D288-F306 HydrophobicContact CB-CE1 4.49Å; D288-F306 HydrophobicContact CB-CG 4.06Å; D288-A307 PolarHBondContact N-O 3.43Å; D288-Y308 WeakPolarHBondContact O-CA 2.99Å; D288-Y308 WeakPolarHBondContact O-CB 2.92Å
289V94Very high92.3Very high41 Ų4154 Ų5425%0.24827%0.27CS..  trans-67.8153.4170.1-59.80000110.6E291 R292 A293V289-E291 VanDerWaalsContact C-N 3.35Å; V289-E291 PolarHBondContact O-N 2.96Å; V289-R292 HydrophobicContact CG2-CB 3.96Å; V289-R292 HydrophobicContact CG2-CG 3.86Å; V289-R292 PolarHBondContact O-N 3.48Å; V289-R292 VanDerWaalsContact O-N 3.13Å; V289-A293 PolarHBondContact O-N 3.46Å
290Y93.9Very high91.4Very high36 Ų3655.9 Ų55.914%0.14128%0.282CS..Hα-helixtrans-49.4-50.6-175.2160.6-95.6000112.4R292 A293 M294 Y308 E348Y290-R292 VanDerWaalsContact C-N 3.3Å; Y290-R292 PolarHBondContact O-N 2.89Å; Y290-A293 PolarHBondContact O-N 2.98Å; Y290-M294 HydrophobicContact CD2-CG 3.88Å; Y290-M294 HydrophobicContact CE1-CG 4.44Å; Y290-M294 HydrophobicContact CE2-CG 3.54Å; Y290-M294 HydrophobicContact CE2-SD 4.11Å; Y290-M294 HydrophobicContact CG-CG 4.46Å; Y290-M294 WeakPolarHBondContact O-CG 3.2Å; Y290-M294 PolarHBondContact O-N 2.96Å; Y290-Y308 HydrophobicContact CD2-CD1 4.44Å; Y290-Y308 HydrophobicContact CD2-CD2 4.23Å; Y290-Y308 HydrophobicContact CD2-CE1 4.05Å; Y290-Y308 AromaticContact CD2-CE2 3.87Å; Y290-Y308 HydrophobicContact CD2-CE2 3.87Å; Y290-Y308 AromaticContact CD2-CZ 3.76Å; Y290-E348 PolarHBondContact OH-O 3.16Å
291E92.7Very high90.1Very high116 Ų11662 Ų6254%0.54231%0.31SS..Hα-helixtrans-62.9-38.6-175.5-61.879.3-173.400111.7V289 Q295V289-E291 VanDerWaalsContact C-N 3.35Å; V289-E291 PolarHBondContact O-N 2.96Å; E291-Q295 WeakPolarHBondContact O-CB 3.4Å; E291-Q295 PolarHBondContact O-N 2.96Å
292R92.5Very high88.5Confident146 Ų14666.2 Ų66.255%0.55132%0.321SS*.Hα-helixtrans-74.5-37.8178.3-71.7-159.3-67.2-125.4-4.6112D288 V289 Y290 S296D288-R292 HydrophobicContact CB-CB 4.3Å; D288-R292 IonicContact OD1-CZ 2.56Å; D288-R292 IonicContact OD1-NE 3.99Å; D288-R292 PolarHBondContact OD1-NE 2.99Å; D288-R292 IonicContact OD1-NH2 3.93Å; D288-R292 PolarHBondContact OD1-NH2 2.86Å; D288-R292 WeakPolarHBondContact OD2-CB 3.31Å; D288-R292 IonicContact OD2-CZ 3.07Å; D288-R292 IonicContact OD2-NE 2.91Å; D288-R292 PolarHBondContact OD2-NE 3.29Å; D288-R292 IonicContact OD2-NH2 3.2Å; V289-R292 HydrophobicContact CG2-CB 3.96Å; V289-R292 HydrophobicContact CG2-CG 3.86Å; V289-R292 PolarHBondContact O-N 3.48Å; V289-R292 VanDerWaalsContact O-N 3.13Å; Y290-R292 VanDerWaalsContact C-N 3.3Å; Y290-R292 PolarHBondContact O-N 2.89Å; R292-S296 WeakPolarHBondContact O-CA 3.45Å; R292-S296 WeakPolarHBondContact O-CB 3.35Å; R292-S296 PolarHBondContact O-N 2.88Å
293A93Very high87.2Confident0 Ų072.5 Ų72.50%035%0.349CS..Hα-helixtrans-63.9-44.5175.600000111.5V289 Y290 N297 F306 Y308V289-A293 PolarHBondContact O-N 3.46Å; Y290-A293 PolarHBondContact O-N 2.98Å; A293-N297 WeakPolarHBondContact O-CB 3.34Å; A293-N297 PolarHBondContact O-N 3.42Å; A293-F306 HydrophobicContact CB-CB 4.13Å; A293-Y308 HydrophobicContact CB-CD1 3.99Å; A293-Y308 HydrophobicContact CB-CG 4.48Å
294M93Very high86.6Confident5 Ų572.6 Ų72.63%0.02535%0.345CS..Hα-helixtrans-63.6-52.5175-67.2-65.8-74.800111.3P269 Y290 S296 L298 E350 Y355P269-M294 HydrophobicContact CB-SD 3.53Å; P269-M294 VanDerWaalsContact CB-SD 3.53Å; P269-M294 HydrophobicContact CG-CG 4.5Å; P269-M294 HydrophobicContact CG-SD 3.64Å; Y290-M294 HydrophobicContact CD2-CG 3.88Å; Y290-M294 HydrophobicContact CE1-CG 4.44Å; Y290-M294 HydrophobicContact CE2-CG 3.54Å; Y290-M294 HydrophobicContact CE2-SD 4.11Å; Y290-M294 HydrophobicContact CG-CG 4.46Å; Y290-M294 WeakPolarHBondContact O-CG 3.2Å; Y290-M294 PolarHBondContact O-N 2.96Å; M294-S296 PolarHBondContact O-N 3.01Å; M294-L298 HydrophobicContact CE-CD1 3.64Å; M294-L298 WeakPolarHBondContact O-CB 3.47Å; M294-L298 VanDerWaalsContact O-CG 3.3Å; M294-L298 WeakPolarHBondContact O-CG 3.45Å; M294-L298 PolarHBondContact O-N 3.43Å; M294-L298 HydrophobicContact SD-CD1 4.1Å; M294-E350 HydrophobicContact CE-CB 4.18Å; M294-E350 HydrophobicContact CE-CG 3.77Å; M294-Y355 HydrophobicContact CE-CE1 4.49Å; M294-Y355 HydrophobicContact SD-CE1 4.32Å
295Q90.9Very high86.3Confident112 Ų11265.7 Ų65.752%0.52332%0.32SS..Hα-helixtrans-61.6-47.6-179.1-174.8642900112E291 H299 V300E291-Q295 WeakPolarHBondContact O-CB 3.4Å; E291-Q295 PolarHBondContact O-N 2.96Å; Q295-H299 VanDerWaalsContact O-CB 3.31Å; Q295-H299 WeakPolarHBondContact O-CB 3.39Å; Q295-H299 PolarHBondContact O-N 2.84Å; Q295-H299 VanDerWaalsContact O-N 3.13Å; Q295-V300 PolarHBondContact O-N 2.72Å
296S89.3Confident86.3Confident26 Ų2667.1 Ų67.118%0.18233%0.326CS..Hα-helixtrans-65.9-55.4-178.4-168.10000110.2R292 M294 L298 V300R292-S296 WeakPolarHBondContact O-CA 3.45Å; R292-S296 WeakPolarHBondContact O-CB 3.35Å; R292-S296 PolarHBondContact O-N 2.88Å; M294-S296 PolarHBondContact O-N 3.01Å; S296-L298 PolarHBondContact O-N 3.31Å; S296-V300 CarbonylContact O-C 3.57Å; S296-V300 WeakPolarHBondContact O-CA 3.44Å; S296-V300 WeakPolarHBondContact O-CB 3.01Å; S296-V300 PolarHBondContact O-N 3.34Å
297N91.7Very high86.4Confident18 Ų1863.5 Ų63.510%0.09631%0.306CS..Hα-helixtrans-71.7-30.6-170.7-61.5-4.3000113.9P269 A293 I305 F306P269-N297 HydrophobicContact CG-CB 4.23Å; P269-N297 WeakPolarHBondContact O-CB 3.49Å; P269-N297 PolarHBondContact O-ND2 2.8Å; A293-N297 WeakPolarHBondContact O-CB 3.34Å; A293-N297 PolarHBondContact O-N 3.42Å; N297-I305 WeakPolarHBondContact ND2-CG2 3.35Å; N297-F306 PolarHBondContact ND2-O 3.49Å; N297-F306 PolarHBondContact OD1-N 2.85Å
298L87.3Confident86.4Confident15 Ų1562.2 Ų62.28%0.07930%0.301CS..Hα-helixtrans-95.6-30.2-173.2-55.4-173.7000113.2P269 M294 S296 Y353P269-L298 HydrophobicContact CB-CD1 4.25Å; P269-L298 HydrophobicContact CB-CD2 3.91Å; P269-L298 HydrophobicContact CB-CG 4.15Å; M294-L298 HydrophobicContact CE-CD1 3.64Å; M294-L298 WeakPolarHBondContact O-CB 3.47Å; M294-L298 VanDerWaalsContact O-CG 3.3Å; M294-L298 WeakPolarHBondContact O-CG 3.45Å; M294-L298 PolarHBondContact O-N 3.43Å; M294-L298 HydrophobicContact SD-CD1 4.1Å; S296-L298 PolarHBondContact O-N 3.31Å; L298-Y353 HydrophobicContact CB-CD1 4.39Å; L298-Y353 HydrophobicContact CB-CE1 3.89Å; L298-Y353 HydrophobicContact CD1-CD1 4.14Å; L298-Y353 HydrophobicContact CD1-CD2 3.81Å; L298-Y353 HydrophobicContact CD1-CE1 4.22Å; L298-Y353 HydrophobicContact CD1-CE2 3.91Å; L298-Y353 HydrophobicContact CD1-CG 3.91Å; L298-Y353 HydrophobicContact CD2-CD1 3.44Å; L298-Y353 VanDerWaalsContact CD2-CD1 3.44Å; L298-Y353 HydrophobicContact CD2-CE1 3.82Å; L298-Y353 HydrophobicContact CD2-CG 3.84Å; L298-Y353 HydrophobicContact CG-CD1 4.18Å; L298-Y353 HydrophobicContact CG-CE1 4.18Å; L298-Y353 HydrophobicContact CG-CG 4.42Å
299H79Confident86.4Confident94 Ų9461.3 Ų61.344%0.43530%0.296SS..Hα-helixtrans-116.1-19.3-172.8-56.793.6000113.7Q295 E350Q295-H299 VanDerWaalsContact O-CB 3.31Å; Q295-H299 WeakPolarHBondContact O-CB 3.39Å; Q295-H299 PolarHBondContact O-N 2.84Å; Q295-H299 VanDerWaalsContact O-N 3.13Å; H299-E350 IonicContact CE1-OE2 2.81Å
300V69.6Low86.5Confident57 Ų5759.4 Ų59.435%0.34528%0.284SS..  trans-120.8107.2-177.3-175.50000110.1Q295 S296 F302Q295-V300 PolarHBondContact O-N 2.72Å; S296-V300 CarbonylContact O-C 3.57Å; S296-V300 WeakPolarHBondContact O-CA 3.44Å; S296-V300 WeakPolarHBondContact O-CB 3.01Å; S296-V300 PolarHBondContact O-N 3.34Å; V300-F302 HydrophobicContact CG1-CB 4.3Å; V300-F302 HydrophobicContact CG1-CD2 3.63Å; V300-F302 HydrophobicContact CG1-CE2 4.49Å; V300-F302 HydrophobicContact CG1-CG 4.43Å; V300-F302 PolarHBondContact O-N 3.38Å
301I64.5Low86.5Confident174 Ų17457.8 Ų57.889%0.89228%0.278SS*.  trans-71.414.8-172.1-52171.5000113.5
302F60.9Low86.5Confident167 Ų16752.5 Ų52.573%0.73225%0.254SS*.PPolyproline II helixtrans-85.1132.7177.4-68.4-65000111.8V300V300-F302 HydrophobicContact CG1-CB 4.3Å; V300-F302 HydrophobicContact CG1-CD2 3.63Å; V300-F302 HydrophobicContact CG1-CE2 4.49Å; V300-F302 HydrophobicContact CG1-CG 4.43Å; V300-F302 PolarHBondContact O-N 3.38Å
303Q70.4Confident86.5Confident148 Ų14845.7 Ų45.769%0.69223%0.229SC*.SBendtrans-69.1146.9159.1-71.6-154.3-11.400109.8
304P82Confident86.3Confident58 Ų5849 Ų4938%0.37724%0.242SC..PPolyproline II helixcis-83.7151.711.131.1-33.2000114.9N286 F306N286-P304 WeakPolarHBondContact ND2-CB 3.05Å; P304-F306 HydrophobicContact CG-CE1 4.19Å; P304-F306 HydrophobicContact CG-CE2 4.12Å; P304-F306 HydrophobicContact CG-CZ 3.68Å; P304-F306 WeakPolarHBondContact O-CD2 3.32Å; P304-F306 WeakPolarHBondContact O-CE2 3.38Å
305I88.9Confident86.1Confident32 Ų3256.1 Ų56.116%0.16428%0.275CS..PPolyproline II helixtrans-75.5140.7166.3-62.1174.7000108I268 V274 L279 M285 N297I268-I305 HydrophobicContact CG2-CG2 3.5Å; V274-I305 HydrophobicContact CG1-CD1 4.11Å; L279-I305 HydrophobicContact CD2-CD1 3.75Å; L279-I305 HydrophobicContact CD2-CG2 4.36Å; M285-I305 VanDerWaalsContact CE-C 3.49Å; M285-I305 HydrophobicContact CE-CB 4.09Å; M285-I305 HydrophobicContact CE-CG2 3.73Å; M285-I305 WeakPolarHBondContact CE-O 3.38Å; N297-I305 WeakPolarHBondContact ND2-CG2 3.35Å
306F93.6Very high86.2Confident39 Ų3951.5 Ų51.517%0.17125%0.254CS..EExtended strand (participates in β ladder)trans-111.4141.4179.8-62.8-84.1000112.6N286 D288 A293 N297 P304N286-F306 HydrophobicContact CB-CD1 3.72Å; N286-F306 HydrophobicContact CB-CE1 3.93Å; N286-F306 CarbonylContact O-C 3.37Å; N286-F306 WeakPolarHBondContact O-CA 3.33Å; D288-F306 HydrophobicContact CB-CB 4.13Å; D288-F306 HydrophobicContact CB-CD1 3.84Å; D288-F306 HydrophobicContact CB-CE1 4.49Å; D288-F306 HydrophobicContact CB-CG 4.06Å; A293-F306 HydrophobicContact CB-CB 4.13Å; N297-F306 PolarHBondContact ND2-O 3.49Å; N297-F306 PolarHBondContact OD1-N 2.85Å; P304-F306 HydrophobicContact CG-CE1 4.19Å; P304-F306 HydrophobicContact CG-CE2 4.12Å; P304-F306 HydrophobicContact CG-CZ 3.68Å; P304-F306 WeakPolarHBondContact O-CD2 3.32Å; P304-F306 WeakPolarHBondContact O-CE2 3.38Å
307A96.1Very high86.3Confident0 Ų052 Ų520%026%0.256CS..EExtended strand (participates in β ladder)trans-92.2155.4159.800000109.6A266 I267 I268 M285 N286 F287 D288 F358A266-A307 HydrophobicContact CB-CB 4.4Å; I267-A307 CarbonylContact O-C 3.52Å; I267-A307 VanDerWaalsContact O-CA 3.25Å; I267-A307 WeakPolarHBondContact O-CA 3.06Å; I268-A307 HydrophobicContact CG1-CB 3.74Å; M285-A307 HydrophobicContact CE-CB 4.31Å; M285-A307 HydrophobicContact CG-CB 3.76Å; N286-A307 PolarHBondContact O-N 3.03Å; F287-A307 CarbonylContact C-O 3.48Å; F287-A307 VanDerWaalsContact CA-O 3.22Å; F287-A307 WeakPolarHBondContact CA-O 3.23Å; F287-A307 HydrophobicContact CD1-CB 3.93Å; F287-A307 HydrophobicContact CE1-CB 3.91Å; D288-A307 PolarHBondContact N-O 3.43Å; A307-F358 HydrophobicContact CB-CE1 4.41Å; A307-F358 HydrophobicContact CB-CZ 4.48Å
308Y96.1Very high86.5Confident1 Ų162 Ų620%0.00429%0.292CS..EExtended strand (participates in β ladder)trans-121.8159.3162.970.9-86.9000109.5A266 I267 D288 Y290 A293 A310 Q345 L349A266-Y308 CarbonylContact C-O 3.54Å; A266-Y308 VanDerWaalsContact CA-O 3.28Å; A266-Y308 WeakPolarHBondContact CA-O 3.48Å; I267-Y308 HydrophobicContact CB-CD1 4.38Å; I267-Y308 HydrophobicContact CB-CE1 3.76Å; I267-Y308 HydrophobicContact CB-CE2 4.32Å; I267-Y308 HydrophobicContact CG2-CE1 3.78Å; I267-Y308 PolarHBondContact N-O 2.9Å; I267-Y308 WeakPolarHBondContact O-CD1 3.33Å; I267-Y308 PolarHBondContact O-N 2.84Å; D288-Y308 WeakPolarHBondContact O-CA 2.99Å; D288-Y308 WeakPolarHBondContact O-CB 2.92Å; Y290-Y308 HydrophobicContact CD2-CD1 4.44Å; Y290-Y308 HydrophobicContact CD2-CD2 4.23Å; Y290-Y308 HydrophobicContact CD2-CE1 4.05Å; Y290-Y308 AromaticContact CD2-CE2 3.87Å; Y290-Y308 HydrophobicContact CD2-CE2 3.87Å; Y290-Y308 AromaticContact CD2-CZ 3.76Å; A293-Y308 HydrophobicContact CB-CD1 3.99Å; A293-Y308 HydrophobicContact CB-CG 4.48Å; Y308-A310 HydrophobicContact CD2-CB 4.35Å; Y308-A310 HydrophobicContact CE2-CB 3.66Å; Y308-A310 PolarHBondContact O-N 3.22Å; Y308-Q345 VanDerWaalsContact CE2-O 3.23Å; Y308-Q345 WeakPolarHBondContact CE2-O 3.21Å; Y308-L349 WeakPolarHBondContact OH-CD2 3.5Å
309I95.9Very high86.8Confident3 Ų367.2 Ų67.22%0.01531%0.311CS..EExtended strand (participates in β ladder)trans-85.2111.2173.2-56.1-55.2000107.4F264 A266 F287 E311 F338 F342 P344 Q345 I360F264-I309 HydrophobicContact CB-CD1 4.23Å; F264-I309 HydrophobicContact CB-CG2 4.16Å; F264-I309 HydrophobicContact CD1-CG2 4.02Å; A266-I309 HydrophobicContact CB-CD1 4.15Å; F287-I309 HydrophobicContact CD1-CD1 3.82Å; F287-I309 HydrophobicContact CD1-CG1 4.43Å; F287-I309 HydrophobicContact CE1-CD1 3.59Å; I309-E311 WeakPolarHBondContact CG2-O 3.11Å; I309-F338 HydrophobicContact CD1-CB 4.09Å; I309-F338 HydrophobicContact CD1-CD1 3.81Å; I309-F338 HydrophobicContact CD1-CE1 4.5Å; I309-F338 HydrophobicContact CD1-CG 4.01Å; I309-F338 HydrophobicContact CG1-CB 3.8Å; I309-F338 HydrophobicContact CG1-CD1 4.09Å; I309-F338 HydrophobicContact CG1-CG 4.22Å; I309-F342 HydrophobicContact CG1-CB 4.06Å; I309-P344 HydrophobicContact CG2-CB 4.16Å; I309-P344 CarbonylContact O-C 3.6Å; I309-P344 WeakPolarHBondContact O-CA 3.35Å; I309-Q345 PolarHBondContact O-N 2.88Å; I309-I360 HydrophobicContact CD1-CD1 4.2Å
310A95.1Very high87.6Confident0 Ų063 Ų630%029%0.292CS..EExtended strand (participates in β ladder)trans-77.8-45176.600000110.4L265 I267 Y308 I322 Q345 D346L265-A310 PolarHBondContact O-N 3.48Å; I267-A310 HydrophobicContact CB-CB 4.46Å; I267-A310 HydrophobicContact CG1-CB 3.63Å; Y308-A310 HydrophobicContact CD2-CB 4.35Å; Y308-A310 HydrophobicContact CE2-CB 3.66Å; Y308-A310 PolarHBondContact O-N 3.22Å; A310-I322 HydrophobicContact CB-CD1 3.73Å; A310-I322 HydrophobicContact CB-CG1 4.34Å; A310-I322 HydrophobicContact CB-CG2 4.04Å; A310-Q345 CarbonylContact O-C 3.43Å; A310-Q345 PolarHBondContact O-N 2.85Å; A310-D346 PolarHBondContact O-N 3.05Å
311E94Very high88.8Confident2 Ų263 Ų631%0.00929%0.29CS..EExtended strand (participates in β ladder)trans-141.9156.7-172.5-75.9-75.4-153.800113.1F264 L265 I309 Y313 I322 V328F264-E311 CarbonylContact C-O 3.54Å; F264-E311 WeakPolarHBondContact CA-O 3.44Å; L265-E311 HydrophobicContact CB-CB 4.21Å; L265-E311 PolarHBondContact N-O 3.06Å; L265-E311 PolarHBondContact O-N 3.39Å; I309-E311 WeakPolarHBondContact CG2-O 3.11Å; E311-Y313 HydrophobicContact CB-CE1 4.26Å; E311-Y313 HydrophobicContact CB-CE2 3.78Å; E311-Y313 VanDerWaalsContact CB-CZ 3.48Å; E311-Y313 WeakPolarHBondContact CB-OH 3.28Å; E311-Y313 WeakPolarHBondContact CG-OH 3.16Å; E311-I322 HydrophobicContact CB-CD1 4.34Å; E311-I322 HydrophobicContact CG-CD1 3.51Å; E311-V328 WeakPolarHBondContact OE1-CG2 3.38Å; E311-V328 PolarHBondContact OE1-N 2.82Å; E311-V328 VanDerWaalsContact OE1-N 3.09Å; E311-V328 PolarHBondContact OE2-N 3.47Å
312A93.2Very high90.2Very high6 Ų654.8 Ų54.85%0.0525%0.247CC..EExtended strand (participates in β ladder)trans-141.5137.5176.300000112Y263 F264 L336 P344Y263-A312 CarbonylContact O-C 3.52Å; Y263-A312 VanDerWaalsContact O-CA 3.26Å; Y263-A312 WeakPolarHBondContact O-CA 3.33Å; F264-A312 HydrophobicContact CD1-CB 3.7Å; F264-A312 HydrophobicContact CE1-CB 3.99Å; A312-L336 HydrophobicContact CB-CB 3.74Å; A312-L336 HydrophobicContact CB-CD1 3.89Å; A312-L336 HydrophobicContact CB-CG 4.49Å; A312-P344 HydrophobicContact CB-CB 4.16Å; A312-P344 HydrophobicContact CB-CG 4.05Å
313Y91.6Very high91.8Very high3 Ų347 Ų471%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-134.7136.2-171.9-45.6-81.2000112.3F249 C262 Y263 L265 E311 E315 L316 P317 T320 V328F249-Y313 HydrophobicContact CE2-CE2 4.47Å; F249-Y313 HydrophobicContact CZ-CE2 4.18Å; C262-Y313 CarbonylContact C-O 3.54Å; C262-Y313 WeakPolarHBondContact CA-O 3.46Å; C262-Y313 VanDerWaalsContact CB-O 3.27Å; C262-Y313 WeakPolarHBondContact CB-O 3.11Å; Y263-Y313 PolarHBondContact N-O 2.59Å; Y263-Y313 PolarHBondContact O-N 2.96Å; L265-Y313 HydrophobicContact CB-CE2 4.34Å; E311-Y313 HydrophobicContact CB-CE1 4.26Å; E311-Y313 HydrophobicContact CB-CE2 3.78Å; E311-Y313 VanDerWaalsContact CB-CZ 3.48Å; E311-Y313 WeakPolarHBondContact CB-OH 3.28Å; E311-Y313 WeakPolarHBondContact CG-OH 3.16Å; Y313-E315 WeakPolarHBondContact CB-O 3.43Å; Y313-L316 HydrophobicContact CD2-CD1 4.42Å; Y313-P317 HydrophobicContact CD1-CG 3.79Å; Y313-P317 HydrophobicContact CE1-CG 3.61Å; Y313-P317 HydrophobicContact CG-CG 4.31Å; Y313-T320 WeakPolarHBondContact OH-CB 3.44Å; Y313-T320 WeakPolarHBondContact OH-CG2 3.39Å; Y313-T320 PolarHBondContact OH-OG1 2.96Å; Y313-V328 HydrophobicContact CD1-CB 4.46Å; Y313-V328 HydrophobicContact CD1-CG1 4.3Å; Y313-V328 HydrophobicContact CE1-CB 3.89Å; Y313-V328 HydrophobicContact CE1-CG1 4.04Å
314Y89.4Confident92.8Very high69 Ų6942.6 Ų42.627%0.27120%0.196SC..SBendtrans-75.8-39.4164.8-73.3-64.8000111.9C262 S330 D332 R334 L336C262-Y314 HydrophobicContact CB-CD1 4.31Å; Y314-S330 WeakPolarHBondContact CD2-OG 3.48Å; Y314-S330 PolarHBondContact N-OG 2.82Å; Y314-D332 HydrophobicContact CD2-CB 4.28Å; Y314-D332 HydrophobicContact CE2-CB 3.89Å; Y314-R334 PolarHBondContact OH-O 3.12Å; Y314-L336 HydrophobicContact CD1-CD1 4.22Å; Y314-L336 HydrophobicContact CD1-CD2 4.21Å; Y314-L336 HydrophobicContact CD2-CD1 4.27Å; Y314-L336 HydrophobicContact CE1-CD1 4.11Å; Y314-L336 HydrophobicContact CE1-CD2 3.47Å; Y314-L336 VanDerWaalsContact CE1-CD2 3.47Å; Y314-L336 HydrophobicContact CE1-CG 4.01Å; Y314-L336 HydrophobicContact CE2-CD1 4.11Å; Y314-L336 HydrophobicContact CE2-CG 4.18Å; Y314-L336 HydrophobicContact CG-CD1 4.29Å
315E89.2Confident93Very high154 Ų15444 Ų4472%0.7221%0.207SC*.SBendtrans-119.1129173.6-175.5176.7-174.500108.9Y313 P317Y313-E315 WeakPolarHBondContact CB-O 3.43Å; E315-P317 VanDerWaalsContact O-CD 3.29Å; E315-P317 WeakPolarHBondContact O-CD 3.1Å
316L91.5Very high92.8Very high15 Ų1548.8 Ų48.88%0.07923%0.228CC..  trans-69116.7-176.3-168.369000110.1F249 Y263 Y313 L359F249-L316 HydrophobicContact CB-CD2 3.95Å; F249-L316 HydrophobicContact CB-CG 4.13Å; F249-L316 HydrophobicContact CD1-CD1 3.87Å; F249-L316 HydrophobicContact CD1-CD2 4.22Å; F249-L316 HydrophobicContact CD1-CG 4.25Å; F249-L316 HydrophobicContact CD2-CD1 4.24Å; F249-L316 HydrophobicContact CD2-CG 4.33Å; F249-L316 HydrophobicContact CE1-CD1 3.97Å; F249-L316 HydrophobicContact CE2-CD1 4.31Å; F249-L316 HydrophobicContact CG-CD1 3.99Å; F249-L316 HydrophobicContact CG-CD2 4.15Å; F249-L316 HydrophobicContact CG-CG 3.98Å; F249-L316 HydrophobicContact CZ-CD1 4.17Å; Y263-L316 HydrophobicContact CD1-CD1 4.01Å; Y263-L316 HydrophobicContact CD2-CB 3.95Å; Y263-L316 HydrophobicContact CD2-CD1 4.27Å; Y263-L316 HydrophobicContact CE1-CB 4.42Å; Y263-L316 HydrophobicContact CE1-CD2 4.38Å; Y263-L316 HydrophobicContact CE2-CB 3.83Å; Y263-L316 HydrophobicContact CG-CB 4.31Å; Y263-L316 HydrophobicContact CG-CD1 3.84Å; Y313-L316 HydrophobicContact CD2-CD1 4.42Å; L316-L359 HydrophobicContact CD1-CD1 3.92Å; L316-L359 HydrophobicContact CD1-CD2 4.06Å; L316-L359 HydrophobicContact CD2-CD2 4.03Å
317P93.2Very high91.9Very high36 Ų3651.1 Ų51.123%0.23424%0.24CC..  trans-69.6165.4176.631-35.7000110.5F249 Y313 E315 R319F249-P317 WeakPolarHBondContact CB-O 3.44Å; F249-P317 HydrophobicContact CD2-CG 4.28Å; F249-P317 WeakPolarHBondContact CD2-O 3.29Å; F249-P317 HydrophobicContact CE2-CG 4.02Å; Y313-P317 HydrophobicContact CD1-CG 3.79Å; Y313-P317 HydrophobicContact CE1-CG 3.61Å; Y313-P317 HydrophobicContact CG-CG 4.31Å; E315-P317 VanDerWaalsContact O-CD 3.29Å; E315-P317 WeakPolarHBondContact O-CD 3.1Å; P317-R319 VanDerWaalsContact C-N 3.33Å
318R94.5Very high90.4Very high228 Ų22854.4 Ų54.486%0.8626%0.26SS*.SBendtrans-70.6-32172.5-70.1-175178179.1-0.2112.7F249F249-R318 PolarHBondContact N-O 3.14Å
319R94.7Very high88.6Confident125 Ų12560 Ų6047%0.47229%0.289SS..EExtended strand (participates in β ladder)trans-152.2149.1-177.3173.2176.9168.3-170.1-3.6109.7V247 E248 P317V247-R319 CarbonylContact O-C 3.6Å; V247-R319 VanDerWaalsContact O-CA 3.24Å; V247-R319 WeakPolarHBondContact O-CA 3.46Å; E248-R319 HydrophobicContact CG-CB 4.45Å; E248-R319 HydrophobicContact CG-CG 4.32Å; P317-R319 VanDerWaalsContact C-N 3.33Å
320T94.3Very high86.5Confident6 Ų661.7 Ų61.74%0.03730%0.301CS..EExtended strand (participates in β ladder)trans-135.4168168.1-167.70000110.7V247 F249 L265 Y313 I322V247-T320 HydrophobicContact CB-CG2 3.86Å; V247-T320 PolarHBondContact N-O 3.06Å; V247-T320 PolarHBondContact O-N 3.34Å; F249-T320 HydrophobicContact CE2-CG2 3.86Å; F249-T320 HydrophobicContact CZ-CG2 4.13Å; L265-T320 HydrophobicContact CD2-CG2 3.79Å; Y313-T320 WeakPolarHBondContact OH-CB 3.44Å; Y313-T320 WeakPolarHBondContact OH-CG2 3.39Å; Y313-T320 PolarHBondContact OH-OG1 2.96Å; T320-I322 HydrophobicContact CG2-CD1 4.3Å
321I95.1Very high84.2Confident58 Ų5867.8 Ų67.830%0.29734%0.344SS..EExtended strand (participates in β ladder)trans-122133.1172.6-59.3176.7000106.7T244 I245 D324T244-I321 HydrophobicContact CG2-CG2 4.07Å; I245-I321 CarbonylContact O-C 3.53Å; I245-I321 WeakPolarHBondContact O-CA 3.02Å; I321-D324 HydrophobicContact CG2-CB 4.17Å
322I95.1Very high82.4Confident0 Ų071.9 Ų71.90%037%0.366CS..EExtended strand (participates in β ladder)trans-108.8138.5174.6-59.2-49.6000108.3T244 I245 V247 L265 I267 A310 E311 T320 D346 L349T244-I322 CarbonylContact C-O 3.47Å; T244-I322 WeakPolarHBondContact CA-O 3.3Å; T244-I322 WeakPolarHBondContact CB-O 3.36Å; I245-I322 HydrophobicContact CB-CB 4.47Å; I245-I322 PolarHBondContact N-O 3.1Å; I245-I322 PolarHBondContact O-N 3.4Å; V247-I322 HydrophobicContact CG2-CG1 4.33Å; L265-I322 HydrophobicContact CD2-CD1 3.79Å; L265-I322 HydrophobicContact CD2-CG1 3.96Å; I267-I322 HydrophobicContact CD1-CG1 4.42Å; I267-I322 HydrophobicContact CG1-CG2 4.18Å; A310-I322 HydrophobicContact CB-CD1 3.73Å; A310-I322 HydrophobicContact CB-CG1 4.34Å; A310-I322 HydrophobicContact CB-CG2 4.04Å; E311-I322 HydrophobicContact CB-CD1 4.34Å; E311-I322 HydrophobicContact CG-CD1 3.51Å; T320-I322 HydrophobicContact CG2-CD1 4.3Å; I322-D346 VanDerWaalsContact CA-OD1 3.25Å; I322-D346 WeakPolarHBondContact CA-OD1 3.31Å; I322-D346 WeakPolarHBondContact CG2-OD1 3.17Å; I322-L349 HydrophobicContact CG2-CD1 4.15Å; I322-L349 HydrophobicContact CG2-CD2 4.29Å
323G93.9Very high80.2Confident5 Ų577.2 Ų77.25%0.05240%0.402CS..SBendtrans98.77.8177.200000114.7D346 G347G323-D346 VanDerWaalsContact N-CG 3.31Å; G323-D346 PolarHBondContact N-OD1 2.85Å; G323-D346 PolarHBondContact N-OD2 2.94Å; G323-D346 VanDerWaalsContact N-OD2 3.09Å; G323-G347 WeakPolarHBondContact CA-O 3.43Å
324D90.6Very high78.5Confident55 Ų5585.6 Ų85.629%0.29443%0.434SS..SBendtrans-98.10.3-17771.78.5000113.3T244 I321 Q326 D346T244-D324 HydrophobicContact CG2-CB 4.17Å; I321-D324 HydrophobicContact CG2-CB 4.17Å; D324-Q326 PolarHBondContact O-N 3.22Å; D324-Q326 WeakPolarHBondContact OD1-CB 3.42Å; D324-Q326 PolarHBondContact OD1-N 3.26Å; D324-D346 PolarHBondContact N-OD2 2.88Å; D324-D346 VanDerWaalsContact OD1-OD2 3.07Å
325S87.8Confident77.1Confident86 Ų8687.3 Ų87.360%0.60145%0.452SS*.SBendtrans6515.9-179.1-52.40000114.2D346S325-D346 VanDerWaalsContact CA-O 3.26Å; S325-D346 WeakPolarHBondContact CA-O 3.44Å; S325-D346 PolarHBondContact N-OD2 2.84Å
326Q85Confident76.5Confident133 Ų13381 Ų8162%0.62142%0.423SS*.  trans-106.4127.1173.3-56.2-174.518.200108.8D324D324-Q326 PolarHBondContact O-N 3.22Å; D324-Q326 WeakPolarHBondContact OD1-CB 3.42Å; D324-Q326 PolarHBondContact OD1-N 3.26Å
327Q73Confident76.2Confident88 Ų8882.9 Ų82.941%0.41143%0.433SS..  trans-88.8127.4169.8-64.1-169.8-6.700109.3I329 P344Q327-I329 HydrophobicContact CB-CD1 4.23Å; Q327-I329 HydrophobicContact CB-CG1 3.72Å; Q327-I329 PolarHBondContact O-N 2.9Å; Q327-P344 PolarHBondContact NE2-O 2.97Å
328V65.2Low76Confident70 Ų7081.3 Ų81.342%0.42442%0.423SS..  trans-78.567.3168.7-173.50000109E311 Y313 S330E311-V328 WeakPolarHBondContact OE1-CG2 3.38Å; E311-V328 PolarHBondContact OE1-N 2.82Å; E311-V328 VanDerWaalsContact OE1-N 3.09Å; E311-V328 PolarHBondContact OE2-N 3.47Å; Y313-V328 HydrophobicContact CD1-CB 4.46Å; Y313-V328 HydrophobicContact CD1-CG1 4.3Å; Y313-V328 HydrophobicContact CE1-CB 3.89Å; Y313-V328 HydrophobicContact CE1-CG1 4.04Å; V328-S330 PolarHBondContact O-N 2.76Å; V328-S330 VanDerWaalsContact O-N 3.08Å
329I57.8Low75.7Confident117 Ų11774.5 Ų74.560%0.640%0.403SS*.  trans-74.7101.5173-52.7178000108Q327 S331Q327-I329 HydrophobicContact CB-CD1 4.23Å; Q327-I329 HydrophobicContact CB-CG1 3.72Å; Q327-I329 PolarHBondContact O-N 2.9Å; I329-S331 PolarHBondContact O-N 2.85Å
330S51.9Low75.3Confident40 Ų4070.9 Ų70.928%0.2840%0.404SS..  trans-56.4130.6164.248.90000109Y314 V328 D332Y314-S330 WeakPolarHBondContact CD2-OG 3.48Å; Y314-S330 PolarHBondContact N-OG 2.82Å; V328-S330 PolarHBondContact O-N 2.76Å; V328-S330 VanDerWaalsContact O-N 3.08Å; S330-D332 PolarHBondContact O-N 3.38Å
331S48.4Very low75Confident128 Ų12880.4 Ų80.490%0.89544%0.439SS*.SBendtrans-51.811.8-159.4590000120.6I329I329-S331 PolarHBondContact O-N 2.85Å
332D54.3Low74.9Confident88 Ų8879.4 Ų79.447%0.47143%0.433SS..  trans-104113.5179.5-148.5-3.4000111.3Y314 S330 R334Y314-D332 HydrophobicContact CD2-CB 4.28Å; Y314-D332 HydrophobicContact CE2-CB 3.89Å; S330-D332 PolarHBondContact O-N 3.38Å; D332-R334 PolarHBondContact O-N 2.67Å
333S47.2Very low74.6Confident117 Ų11783.3 Ų83.382%0.81845%0.453SS*.  trans-72.320.5-16168.90000117.5
334R57.5Low74.5Confident179 Ų17983.7 Ų83.768%0.67546%0.455SS*.SBendtrans-91111.9169.5-77.1-178.4-78.2176.9-3.6108Y314 D332 L336Y314-R334 PolarHBondContact OH-O 3.12Å; D332-R334 PolarHBondContact O-N 2.67Å; R334-L336 PolarHBondContact O-N 2.79Å
335T59Low74.7Confident106 Ų10683.4 Ų83.465%0.6545%0.452SS*.  trans-54.6118178.7-17.60000109.6D337 L343T335-D337 PolarHBondContact O-N 2.96Å; T335-D337 VanDerWaalsContact O-N 3.15Å; T335-L343 HydrophobicContact CG2-CD2 3.47Å; T335-L343 VanDerWaalsContact CG2-CD2 3.47Å
336L76.6Confident74.8Confident20 Ų2079.8 Ų79.811%0.10543%0.426CS..  trans-74.699.7175.2-75.7176.3000108.3C262 F264 A312 Y314 R334 P344C262-L336 HydrophobicContact CB-CD1 3.79Å; C262-L336 HydrophobicContact CB-CD2 3.65Å; C262-L336 HydrophobicContact CB-CG 4.36Å; F264-L336 HydrophobicContact CE1-CB 4.05Å; A312-L336 HydrophobicContact CB-CB 3.74Å; A312-L336 HydrophobicContact CB-CD1 3.89Å; A312-L336 HydrophobicContact CB-CG 4.49Å; Y314-L336 HydrophobicContact CD1-CD1 4.22Å; Y314-L336 HydrophobicContact CD1-CD2 4.21Å; Y314-L336 HydrophobicContact CD2-CD1 4.27Å; Y314-L336 HydrophobicContact CE1-CD1 4.11Å; Y314-L336 HydrophobicContact CE1-CD2 3.47Å; Y314-L336 VanDerWaalsContact CE1-CD2 3.47Å; Y314-L336 HydrophobicContact CE1-CG 4.01Å; Y314-L336 HydrophobicContact CE2-CD1 4.11Å; Y314-L336 HydrophobicContact CE2-CG 4.18Å; Y314-L336 HydrophobicContact CG-CD1 4.29Å; R334-L336 PolarHBondContact O-N 2.79Å; L336-P344 WeakPolarHBondContact O-CD 3.41Å
337D84.8Confident75.1Confident55 Ų5574 Ų7429%0.29440%0.402SS..  trans-98.6128.117457.2-6.8000111.4T335 G340 L343T335-D337 PolarHBondContact O-N 2.96Å; T335-D337 VanDerWaalsContact O-N 3.15Å; D337-G340 VanDerWaalsContact CG-CA 3.49Å; D337-G340 WeakPolarHBondContact OD2-CA 3.31Å; D337-L343 HydrophobicContact CB-CD2 4.13Å
338F90.3Very high76Confident4 Ų474.3 Ų74.32%0.01840%0.403CS..BIsolated β-bridgetrans-74.6129.4171.3178.7-117.2000109.1F264 F287 I309 G340 R341 F342 I360 Y388F264-F338 HydrophobicContact CD1-CB 3.99Å; F264-F338 HydrophobicContact CD2-CB 4.49Å; F264-F338 AromaticContact CD2-CD2 3.93Å; F264-F338 HydrophobicContact CD2-CD2 3.93Å; F264-F338 HydrophobicContact CE1-CB 3.94Å; F264-F338 HydrophobicContact CE2-CB 4.46Å; F264-F338 HydrophobicContact CE2-CD2 4.05Å; F264-F338 HydrophobicContact CG-CB 4.26Å; F264-F338 HydrophobicContact CG-CD2 4.34Å; F264-F338 HydrophobicContact CZ-CB 4.18Å; F287-F338 HydrophobicContact CD1-CD1 4.07Å; F287-F338 AromaticContact CD1-CE1 3.86Å; F287-F338 HydrophobicContact CD1-CE1 3.86Å; F287-F338 AromaticContact CD2-CE1 3.68Å; F287-F338 HydrophobicContact CD2-CE1 3.68Å; F287-F338 HydrophobicContact CE1-CD1 4.17Å; F287-F338 AromaticContact CE1-CE1 3.74Å; F287-F338 HydrophobicContact CE1-CE1 3.74Å; F287-F338 AromaticContact CE2-CE1 3.57Å; F287-F338 HydrophobicContact CE2-CE1 3.57Å; F287-F338 HydrophobicContact CE2-CZ 4.04Å; F287-F338 HydrophobicContact CG-CD1 4.25Å; F287-F338 AromaticContact CG-CE1 3.82Å; F287-F338 HydrophobicContact CG-CE1 3.82Å; F287-F338 HydrophobicContact CZ-CD1 4.45Å; F287-F338 AromaticContact CZ-CE1 3.59Å; F287-F338 HydrophobicContact CZ-CE1 3.59Å; F287-F338 HydrophobicContact CZ-CZ 4.01Å; I309-F338 HydrophobicContact CD1-CB 4.09Å; I309-F338 HydrophobicContact CD1-CD1 3.81Å; I309-F338 HydrophobicContact CD1-CE1 4.5Å; I309-F338 HydrophobicContact CD1-CG 4.01Å; I309-F338 HydrophobicContact CG1-CB 3.8Å; I309-F338 HydrophobicContact CG1-CD1 4.09Å; I309-F338 HydrophobicContact CG1-CG 4.22Å; F338-G340 PolarHBondContact O-N 3.12Å; F338-R341 PolarHBondContact O-N 2.87Å; F338-F342 HydrophobicContact CB-CB 4.29Å; F338-F342 AromaticContact CD1-CD2 3.95Å; F338-F342 HydrophobicContact CD1-CD2 3.95Å; F338-F342 PolarHBondContact N-O 2.79Å; F338-F342 PolarHBondContact O-N 2.56Å; F338-I360 HydrophobicContact CD2-CD1 4.42Å; F338-I360 HydrophobicContact CE1-CD1 4.38Å; F338-I360 HydrophobicContact CE2-CD1 3.98Å; F338-I360 HydrophobicContact CE2-CG2 4.06Å; F338-I360 HydrophobicContact CZ-CD1 3.95Å; F338-Y388 HydrophobicContact CD2-CD1 4.14Å; F338-Y388 AromaticContact CD2-CE1 3.69Å; F338-Y388 HydrophobicContact CD2-CE1 3.69Å; F338-Y388 AromaticContact CE2-CD1 3.65Å; F338-Y388 HydrophobicContact CE2-CD1 3.65Å; F338-Y388 AromaticContact CE2-CE1 3.59Å; F338-Y388 HydrophobicContact CE2-CE1 3.59Å; F338-Y388 HydrophobicContact CE2-CG 4.16Å
339L87.7Confident77.3Confident85 Ų8571.1 Ų71.145%0.44538%0.384SS..THydrogen-bonded Turntrans56.217.1-175.6-58.1174.9000115.4R341 F342 Y388L339-R341 VanDerWaalsContact C-N 3.27Å; L339-R341 PolarHBondContact O-N 2.92Å; L339-F342 HydrophobicContact CD1-CE2 4.23Å; L339-Y388 HydrophobicContact CD2-CD2 4.34Å; L339-Y388 HydrophobicContact CD2-CE2 3.67Å
340G85.2Confident79Confident48 Ų4868.9 Ų68.950%0.49537%0.371SS..THydrogen-bonded Turntrans75.114.4-174.600000114.2D337 F338D337-G340 VanDerWaalsContact CG-CA 3.49Å; D337-G340 WeakPolarHBondContact OD2-CA 3.31Å; F338-G340 PolarHBondContact O-N 3.12Å
341R88.6Confident80.8Confident207 Ų20774 Ų7478%0.78138%0.384SS*.THydrogen-bonded Turntrans-141.4-40.4-166.3-65-178.1-174.8-175.90.8114.9F338 L339F338-R341 PolarHBondContact O-N 2.87Å; L339-R341 VanDerWaalsContact C-N 3.27Å; L339-R341 PolarHBondContact O-N 2.92Å
342F92.3Very high82.8Confident36 Ų3669.1 Ų69.116%0.15836%0.355CS..BIsolated β-bridgetrans-104.8109.7-171.9-55.6-73.2000110F287 I309 F338 L339F287-F342 HydrophobicContact CB-CD1 4.35Å; F287-F342 HydrophobicContact CB-CD2 3.9Å; F287-F342 HydrophobicContact CB-CE1 4.11Å; F287-F342 HydrophobicContact CB-CE2 3.61Å; F287-F342 HydrophobicContact CB-CG 4.25Å; F287-F342 HydrophobicContact CB-CZ 3.72Å; F287-F342 WeakPolarHBondContact O-CE1 3.35Å; F287-F342 VanDerWaalsContact O-CZ 3.27Å; F287-F342 WeakPolarHBondContact O-CZ 3.46Å; I309-F342 HydrophobicContact CG1-CB 4.06Å; F338-F342 HydrophobicContact CB-CB 4.29Å; F338-F342 AromaticContact CD1-CD2 3.95Å; F338-F342 HydrophobicContact CD1-CD2 3.95Å; F338-F342 PolarHBondContact N-O 2.79Å; F338-F342 PolarHBondContact O-N 2.56Å; L339-F342 HydrophobicContact CD1-CE2 4.23Å
343L90.5Very high84.6Confident83 Ų8367.2 Ų67.244%0.43534%0.341SS..  trans-78.2148.3174-66.9174.3000110.3T335 D337 Q345T335-L343 HydrophobicContact CG2-CD2 3.47Å; T335-L343 VanDerWaalsContact CG2-CD2 3.47Å; D337-L343 HydrophobicContact CB-CD2 4.13Å; L343-Q345 PolarHBondContact O-N 2.87Å
344P91.8Very high86.8Confident13 Ų1364.1 Ų64.18%0.08431%0.313CS..  trans-61.5134.6169.827.3-34.1000110.1I309 A312 Q327 L336I309-P344 HydrophobicContact CG2-CB 4.16Å; I309-P344 CarbonylContact O-C 3.6Å; I309-P344 WeakPolarHBondContact O-CA 3.35Å; A312-P344 HydrophobicContact CB-CB 4.16Å; A312-P344 HydrophobicContact CB-CG 4.05Å; Q327-P344 PolarHBondContact NE2-O 2.97Å; L336-P344 WeakPolarHBondContact O-CD 3.41Å
345Q93.1Very high88.6Confident49 Ų4955.6 Ų55.623%0.22928%0.281CS..  trans-141.7100-179.5-69175.7-2.300108.5Y308 I309 A310 L343 G347Y308-Q345 VanDerWaalsContact CE2-O 3.23Å; Y308-Q345 WeakPolarHBondContact CE2-O 3.21Å; I309-Q345 PolarHBondContact O-N 2.88Å; A310-Q345 CarbonylContact O-C 3.43Å; A310-Q345 PolarHBondContact O-N 2.85Å; L343-Q345 PolarHBondContact O-N 2.87Å; Q345-G347 PolarHBondContact O-N 2.79Å
346D91.6Very high90.3Very high10 Ų1050.9 Ų50.95%0.05325%0.251CS..  trans-86.982.2173.2-17051.1000110.2A310 I322 G323 D324 S325A310-D346 PolarHBondContact O-N 3.05Å; I322-D346 VanDerWaalsContact CA-OD1 3.25Å; I322-D346 WeakPolarHBondContact CA-OD1 3.31Å; I322-D346 WeakPolarHBondContact CG2-OD1 3.17Å; G323-D346 VanDerWaalsContact N-CG 3.31Å; G323-D346 PolarHBondContact N-OD1 2.85Å; G323-D346 PolarHBondContact N-OD2 2.94Å; G323-D346 VanDerWaalsContact N-OD2 3.09Å; D324-D346 PolarHBondContact N-OD2 2.88Å; D324-D346 VanDerWaalsContact OD1-OD2 3.07Å; S325-D346 VanDerWaalsContact CA-O 3.26Å; S325-D346 WeakPolarHBondContact CA-O 3.44Å; S325-D346 PolarHBondContact N-OD2 2.84Å
347G90.6Very high91.3Very high12 Ų1249.9 Ų49.912%0.12425%0.246CC..PPolyproline II helixtrans-88.4154.1177.500000112.4G323 Q345 L349G323-G347 WeakPolarHBondContact CA-O 3.43Å; Q345-G347 PolarHBondContact O-N 2.79Å; G347-L349 PolarHBondContact O-N 3.16Å
348E90.7Very high91.9Very high94 Ų9447.3 Ų47.344%0.43923%0.232SC..PPolyproline II helixtrans-53.9136.6177.8-174.9178.7-179.100111.8K243 Y290K243-E348 HydrophobicContact CD-CG 4.44Å; K243-E348 WeakPolarHBondContact CD-OE1 3.24Å; K243-E348 WeakPolarHBondContact CE-OE1 3.34Å; K243-E348 IonicContact NZ-OE1 3.15Å; K243-E348 PolarHBondContact NZ-OE1 2.75Å; Y290-E348 PolarHBondContact OH-O 3.16Å
349L94.2Very high92.3Very high2 Ų247.2 Ų47.21%0.0123%0.232CC..PPolyproline II helixtrans-92142178.6-49.2176.8000111.3K243 I245 Y308 I322 G347 Y355 L399K243-L349 WeakPolarHBondContact O-CB 3.47Å; K243-L349 WeakPolarHBondContact O-CG 3.49Å; K243-L349 PolarHBondContact O-N 2.81Å; I245-L349 HydrophobicContact CB-CD1 4.33Å; I245-L349 HydrophobicContact CD1-CD1 3.5Å; I245-L349 HydrophobicContact CG1-CD1 3.65Å; Y308-L349 WeakPolarHBondContact OH-CD2 3.5Å; I322-L349 HydrophobicContact CG2-CD1 4.15Å; I322-L349 HydrophobicContact CG2-CD2 4.29Å; G347-L349 PolarHBondContact O-N 3.16Å; L349-Y355 HydrophobicContact CB-CE1 4.05Å; L349-Y355 HydrophobicContact CB-CE2 4.18Å; L349-Y355 HydrophobicContact CD1-CD1 4.38Å; L349-Y355 HydrophobicContact CD1-CE1 4.42Å; L349-Y355 HydrophobicContact CD2-CD1 4.1Å; L349-Y355 HydrophobicContact CD2-CE1 3.71Å; L349-Y355 HydrophobicContact CG-CE1 4.27Å; L349-L399 HydrophobicContact CB-CD1 3.49Å; L349-L399 VanDerWaalsContact CB-CD1 3.49Å; L349-L399 HydrophobicContact CD1-CD1 3.75Å; L349-L399 HydrophobicContact CG-CD1 4.28Å
350E92.1Very high92.8Very high70 Ų7043.1 Ų43.133%0.32721%0.211SC..PPolyproline II helixtrans-84.5141.7178.5-66.4-179-141.900112.5M294 H299 Y353 Y355M294-E350 HydrophobicContact CE-CB 4.18Å; M294-E350 HydrophobicContact CE-CG 3.77Å; H299-E350 IonicContact CE1-OE2 2.81Å; E350-Y353 HydrophobicContact CB-CD2 3.58Å; E350-Y353 HydrophobicContact CB-CE2 3.8Å; E350-Y353 VanDerWaalsContact OE2-CE2 3.32Å; E350-Y353 WeakPolarHBondContact OE2-CE2 2.88Å; E350-Y355 WeakPolarHBondContact CA-OH 3.34Å; E350-Y355 PolarHBondContact N-OH 2.97Å; E350-Y355 WeakPolarHBondContact O-CE2 3.34Å; E350-Y355 PolarHBondContact O-OH 2.85Å
351R91.3Very high93.2Very high147 Ų14740.9 Ų40.956%0.55519%0.187SC*.THydrogen-bonded Turntrans-70.7153.5171.7-67.9180175.9-150.9-7.4111.2D242 Y353 L399D242-R351 HydrophobicContact CB-CG 3.99Å; D242-R351 VanDerWaalsContact O-CG 3.24Å; D242-R351 WeakPolarHBondContact O-CG 3.38Å; D242-R351 IonicContact OD2-CZ 2.63Å; D242-R351 IonicContact OD2-NE 3.67Å; D242-R351 IonicContact OD2-NH1 3.26Å; D242-R351 IonicContact OD2-NH2 3.39Å; D242-R351 PolarHBondContact OD2-NH2 3.01Å; R351-Y353 VanDerWaalsContact C-N 3.35Å; R351-Y353 VanDerWaalsContact O-CD2 3.22Å; R351-Y353 WeakPolarHBondContact O-CD2 3.05Å; R351-Y353 WeakPolarHBondContact O-CE2 3.48Å; R351-L399 CarbonylContact C-O 3.58Å; R351-L399 WeakPolarHBondContact CA-O 3.38Å
352G90.2Very high93.5Very high27 Ų2732.8 Ų32.828%0.27816%0.157SC..THydrogen-bonded Turntrans86.62.2178.800000114.3L399G352-L399 PolarHBondContact N-O 2.87Å
353Y92.1Very high93.6Very high48 Ų4831 Ų3119%0.18815%0.149CC..EExtended strand (participates in β ladder)trans-118.6159.5-175.4-60.6-72.1000113.1T271 L298 E350 R351 Y398 L399T271-Y353 HydrophobicContact CG2-CE1 4.33Å; L298-Y353 HydrophobicContact CB-CD1 4.39Å; L298-Y353 HydrophobicContact CB-CE1 3.89Å; L298-Y353 HydrophobicContact CD1-CD1 4.14Å; L298-Y353 HydrophobicContact CD1-CD2 3.81Å; L298-Y353 HydrophobicContact CD1-CE1 4.22Å; L298-Y353 HydrophobicContact CD1-CE2 3.91Å; L298-Y353 HydrophobicContact CD1-CG 3.91Å; L298-Y353 HydrophobicContact CD2-CD1 3.44Å; L298-Y353 VanDerWaalsContact CD2-CD1 3.44Å; L298-Y353 HydrophobicContact CD2-CE1 3.82Å; L298-Y353 HydrophobicContact CD2-CG 3.84Å; L298-Y353 HydrophobicContact CG-CD1 4.18Å; L298-Y353 HydrophobicContact CG-CE1 4.18Å; L298-Y353 HydrophobicContact CG-CG 4.42Å; E350-Y353 HydrophobicContact CB-CD2 3.58Å; E350-Y353 HydrophobicContact CB-CE2 3.8Å; E350-Y353 VanDerWaalsContact OE2-CE2 3.32Å; E350-Y353 WeakPolarHBondContact OE2-CE2 2.88Å; R351-Y353 VanDerWaalsContact C-N 3.35Å; R351-Y353 VanDerWaalsContact O-CD2 3.22Å; R351-Y353 WeakPolarHBondContact O-CD2 3.05Å; R351-Y353 WeakPolarHBondContact O-CE2 3.48Å; Y353-Y398 WeakPolarHBondContact O-CD2 3.13Å; Y353-L399 PolarHBondContact O-N 2.84Å
354K92.4Very high93.6Very high52 Ų5229.7 Ų29.723%0.22614%0.142CC..EExtended strand (participates in β ladder)trans-100.8138.9173.5-61.7-178-173.5161.60108.9C270 L272 F276 V397 Y398C270-K354 WeakPolarHBondContact CA-O 3.44Å; C270-K354 HydrophobicContact CB-CB 4.37Å; C270-K354 WeakPolarHBondContact CB-O 3.12Å; C270-K354 PolarHBondContact N-O 2.91Å; C270-K354 PolarHBondContact O-N 3.45Å; L272-K354 HydrophobicContact CD2-CD 4.33Å; L272-K354 HydrophobicContact CD2-CG 4.02Å; L272-K354 PolarHBondContact O-NZ 2.91Å; F276-K354 HydrophobicContact CE2-CD 4.16Å; F276-K354 HydrophobicContact CZ-CB 4.34Å; F276-K354 HydrophobicContact CZ-CD 3.62Å; K354-V397 CarbonylContact C-O 3.17Å; K354-V397 WeakPolarHBondContact CA-O 3.27Å; K354-Y398 HydrophobicContact CG-CD2 4.17Å
355Y95.1Very high93.6Very high0 Ų030 Ų300%015%0.145CC..EExtended strand (participates in β ladder)trans-120.9131.2176.6-63.1-90.7000109.2I245 I267 P269 M294 L349 E350 P396 V397 L399I245-Y355 HydrophobicContact CD1-CD1 4.34Å; I245-Y355 HydrophobicContact CD1-CD2 3.87Å; I245-Y355 HydrophobicContact CD1-CG 3.54Å; I267-Y355 HydrophobicContact CG2-CD1 4.08Å; P269-Y355 HydrophobicContact CB-CD1 4.12Å; P269-Y355 HydrophobicContact CB-CE1 3.81Å; M294-Y355 HydrophobicContact CE-CE1 4.49Å; M294-Y355 HydrophobicContact SD-CE1 4.32Å; L349-Y355 HydrophobicContact CB-CE1 4.05Å; L349-Y355 HydrophobicContact CB-CE2 4.18Å; L349-Y355 HydrophobicContact CD1-CD1 4.38Å; L349-Y355 HydrophobicContact CD1-CE1 4.42Å; L349-Y355 HydrophobicContact CD2-CD1 4.1Å; L349-Y355 HydrophobicContact CD2-CE1 3.71Å; L349-Y355 HydrophobicContact CG-CE1 4.27Å; E350-Y355 WeakPolarHBondContact CA-OH 3.34Å; E350-Y355 PolarHBondContact N-OH 2.97Å; E350-Y355 WeakPolarHBondContact O-CE2 3.34Å; E350-Y355 PolarHBondContact O-OH 2.85Å; Y355-P396 CarbonylContact O-C 3.53Å; Y355-P396 WeakPolarHBondContact O-CA 3.29Å; Y355-V397 PolarHBondContact N-O 2.9Å; Y355-V397 PolarHBondContact O-N 3.5Å; Y355-L399 HydrophobicContact CD2-CD1 3.81Å; Y355-L399 HydrophobicContact CD2-CG 3.84Å; Y355-L399 HydrophobicContact CE2-CB 4.22Å; Y355-L399 HydrophobicContact CE2-CD1 3.5Å; Y355-L399 VanDerWaalsContact CE2-CD1 3.5Å; Y355-L399 HydrophobicContact CE2-CG 3.8Å
356I95.4Very high93.5Very high6 Ų628 Ų283%0.03114%0.135CC..EExtended strand (participates in β ladder)trans-126.2167.4173.9-165.4169.4000108.3I267 I268 F276 L279 Y393 F394 P396I267-I356 CarbonylContact C-O 3.59Å; I267-I356 WeakPolarHBondContact CA-O 3.02Å; I268-I356 HydrophobicContact CB-CG2 3.66Å; I268-I356 HydrophobicContact CD1-CG2 4.08Å; I268-I356 HydrophobicContact CG1-CG2 4.29Å; I268-I356 HydrophobicContact CG2-CG2 4.29Å; I268-I356 PolarHBondContact N-O 2.91Å; I268-I356 PolarHBondContact O-N 3.16Å; F276-I356 HydrophobicContact CD1-CD1 3.77Å; F276-I356 HydrophobicContact CE1-CD1 4.24Å; L279-I356 HydrophobicContact CD1-CD1 4.28Å; L279-I356 HydrophobicContact CD1-CG2 4.05Å; I356-Y393 HydrophobicContact CD1-CD1 4.15Å; I356-Y393 HydrophobicContact CD1-CG 3.93Å; I356-Y393 HydrophobicContact CG1-CD1 4.12Å; I356-Y393 HydrophobicContact CG1-CG 4.3Å; I356-F394 VanDerWaalsContact C-CE2 3.46Å; I356-F394 VanDerWaalsContact CA-CE2 3.44Å; I356-F394 HydrophobicContact CG1-CD2 4.42Å; I356-F394 VanDerWaalsContact CG1-O 3.25Å; I356-F394 WeakPolarHBondContact CG1-O 3.18Å; I356-P396 HydrophobicContact CD1-CG 4.15Å
357G97.1Very high93.3Very high0 Ų035 Ų350%016%0.161CC..EExtended strand (participates in β ladder)trans-176.8179.1-179.100000112.4A266 Y393 F394A266-G357 CarbonylContact O-C 3.47Å; A266-G357 WeakPolarHBondContact O-CA 3.49Å; G357-Y393 WeakPolarHBondContact O-CA 2.79Å; G357-F394 VanDerWaalsContact CA-CZ 3.48Å; G357-F394 VanDerWaalsContact N-CE2 3.32Å; G357-F394 WeakPolarHBondContact O-CD1 3.25Å; G357-F394 WeakPolarHBondContact O-CG 3.39Å; G357-F394 PolarHBondContact O-N 2.83Å
358F98Very high93Very high0 Ų039 Ų390%018%0.183CC..EExtended strand (participates in β ladder)trans-157.4155.8-174.954.8-84.4000110.5A266 I268 P282 M285 F287 A307 I360 F390 G392 Y393A266-F358 HydrophobicContact CB-CD1 4.23Å; A266-F358 HydrophobicContact CB-CD2 4.12Å; A266-F358 HydrophobicContact CB-CE1 3.83Å; A266-F358 HydrophobicContact CB-CE2 3.72Å; A266-F358 HydrophobicContact CB-CG 4.38Å; A266-F358 HydrophobicContact CB-CZ 3.57Å; A266-F358 PolarHBondContact N-O 2.87Å; A266-F358 PolarHBondContact O-N 2.72Å; I268-F358 HydrophobicContact CD1-CE1 4.08Å; I268-F358 HydrophobicContact CG1-CE1 4.44Å; P282-F358 HydrophobicContact CB-CB 4.48Å; P282-F358 HydrophobicContact CB-CD1 4.24Å; P282-F358 HydrophobicContact CB-CD2 3.74Å; P282-F358 HydrophobicContact CB-CE1 4.4Å; P282-F358 HydrophobicContact CB-CE2 3.91Å; P282-F358 HydrophobicContact CB-CG 3.9Å; P282-F358 HydrophobicContact CB-CZ 4.23Å; P282-F358 HydrophobicContact CG-CB 4.46Å; P282-F358 HydrophobicContact CG-CD1 4.47Å; P282-F358 HydrophobicContact CG-CG 4.27Å; M285-F358 HydrophobicContact CB-CE1 4.4Å; M285-F358 HydrophobicContact CB-CZ 4.03Å; M285-F358 HydrophobicContact CG-CE1 4.22Å; M285-F358 HydrophobicContact CG-CZ 4.2Å; F287-F358 HydrophobicContact CE1-CZ 4.18Å; F287-F358 AromaticContact CZ-CE2 3.96Å; F287-F358 HydrophobicContact CZ-CE2 3.96Å; F287-F358 AromaticContact CZ-CZ 3.68Å; F287-F358 HydrophobicContact CZ-CZ 3.68Å; A307-F358 HydrophobicContact CB-CE1 4.41Å; A307-F358 HydrophobicContact CB-CZ 4.48Å; F358-I360 HydrophobicContact CD2-CD1 4.36Å; F358-I360 HydrophobicContact CD2-CG1 3.84Å; F358-I360 HydrophobicContact CE2-CD1 3.77Å; F358-I360 HydrophobicContact CE2-CG1 3.74Å; F358-F390 HydrophobicContact CD2-CD1 4.14Å; F358-F390 AromaticContact CE2-CD1 3.83Å; F358-F390 HydrophobicContact CE2-CD1 3.83Å; F358-F390 HydrophobicContact CE2-CE1 4.35Å; F358-G392 WeakPolarHBondContact CB-O 3.23Å; F358-Y393 HydrophobicContact CB-CD1 4.39Å; F358-Y393 AromaticContact CD1-CD1 3.7Å; F358-Y393 HydrophobicContact CD1-CD1 3.7Å; F358-Y393 AromaticContact CD1-CE1 3.37Å; F358-Y393 HydrophobicContact CD1-CE1 3.37Å; F358-Y393 HydrophobicContact CE1-CD1 4.47Å; F358-Y393 AromaticContact CE1-CE1 3.73Å; F358-Y393 HydrophobicContact CE1-CE1 3.73Å; F358-Y393 HydrophobicContact CG-CD1 4.44Å; F358-Y393 HydrophobicContact CG-CE1 4.33Å
359L98Very high92.9Very high2 Ų235 Ų351%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-92.5139.6176.6-177.963.2000109.9I231 P234 F249 Y263 L316 F390 S391I231-L359 HydrophobicContact CG2-CB 4.26Å; I231-L359 HydrophobicContact CG2-CD2 3.79Å; I231-L359 HydrophobicContact CG2-CG 4.17Å; P234-L359 HydrophobicContact CG-CB 3.79Å; F249-L359 HydrophobicContact CD1-CD2 4.04Å; F249-L359 HydrophobicContact CE1-CD1 3.88Å; F249-L359 HydrophobicContact CE1-CD2 4.19Å; F249-L359 HydrophobicContact CE1-CG 4.48Å; Y263-L359 HydrophobicContact CD1-CD1 4.32Å; Y263-L359 HydrophobicContact CD1-CD2 4.4Å; L316-L359 HydrophobicContact CD1-CD1 3.92Å; L316-L359 HydrophobicContact CD1-CD2 4.06Å; L316-L359 HydrophobicContact CD2-CD2 4.03Å; L359-F390 WeakPolarHBondContact O-CA 3.3Å; L359-S391 PolarHBondContact N-OG 2.92Å; L359-S391 PolarHBondContact O-N 2.84Å
360I97.6Very high92.5Very high0 Ų036.1 Ų36.10%017%0.169CC..EExtended strand (participates in β ladder)trans-119130.4175.4-47.1175.1000107.7Y263 F264 A266 F287 I309 F338 F358 Y388 S389 F390Y263-I360 CarbonylContact C-O 3.48Å; Y263-I360 WeakPolarHBondContact CA-O 3.5Å; F264-I360 HydrophobicContact CB-CB 4.15Å; F264-I360 HydrophobicContact CB-CD1 4.35Å; F264-I360 HydrophobicContact CD2-CB 4.46Å; F264-I360 PolarHBondContact N-O 2.66Å; F264-I360 PolarHBondContact O-N 2.89Å; A266-I360 HydrophobicContact CB-CD1 4.17Å; F287-I360 HydrophobicContact CE1-CD1 4.05Å; F287-I360 HydrophobicContact CZ-CD1 3.83Å; I309-I360 HydrophobicContact CD1-CD1 4.2Å; F338-I360 HydrophobicContact CD2-CD1 4.42Å; F338-I360 HydrophobicContact CE1-CD1 4.38Å; F338-I360 HydrophobicContact CE2-CD1 3.98Å; F338-I360 HydrophobicContact CE2-CG2 4.06Å; F338-I360 HydrophobicContact CZ-CD1 3.95Å; F358-I360 HydrophobicContact CD2-CD1 4.36Å; F358-I360 HydrophobicContact CD2-CG1 3.84Å; F358-I360 HydrophobicContact CE2-CD1 3.77Å; F358-I360 HydrophobicContact CE2-CG1 3.74Å; I360-Y388 HydrophobicContact CG2-CD1 3.89Å; I360-Y388 HydrophobicContact CG2-CG 4.42Å; I360-S389 CarbonylContact C-O 3.23Å; I360-S389 WeakPolarHBondContact CA-O 3.45Å; I360-F390 HydrophobicContact CB-CD1 4.47Å; I360-F390 HydrophobicContact CD1-CD1 4.29Å; I360-F390 HydrophobicContact CD1-CE1 4.03Å; I360-F390 HydrophobicContact CG1-CD1 3.86Å; I360-F390 HydrophobicContact CG1-CE1 4.05Å; I360-F390 HydrophobicContact CG2-CD1 4.12Å; I360-F390 HydrophobicContact CG2-CE1 3.92Å; I360-F390 HydrophobicContact CG2-CZ 4.4Å
361A95.7Very high91.4Very high0 Ų037.5 Ų37.50%018%0.179CC..EExtended strand (participates in β ladder)trans-109131.2169.800000109.9P228 I231 I260 Y263 Y388 S389P228-A361 HydrophobicContact CG-CB 3.93Å; I231-A361 HydrophobicContact CD1-CB 3.52Å; I260-A361 HydrophobicContact CD1-CB 4.5Å; I260-A361 HydrophobicContact CG2-CB 4.07Å; Y263-A361 HydrophobicContact CD1-CB 4.05Å; Y263-A361 HydrophobicContact CE1-CB 4.09Å; A361-Y388 WeakPolarHBondContact O-CA 3.05Å; A361-S389 PolarHBondContact N-O 2.82Å; A361-S389 PolarHBondContact O-N 3.43Å
362R94.5Very high90.2Very high37 Ų3734.4 Ų34.414%0.1417%0.173CC..EExtended strand (participates in β ladder)trans-102.1136.1177.9174.9176.8164.1179.3-7.3110.7T261 C262 F264 D364 P386 T387 Y388T261-R362 PolarHBondContact N-O 2.82Å; C262-R362 PolarHBondContact O-N 2.84Å; F264-R362 HydrophobicContact CE2-CB 3.96Å; R362-D364 IonicContact CZ-OD1 2.8Å; R362-D364 VanDerWaalsContact CZ-OD1 3.3Å; R362-D364 IonicContact NE-OD1 3.89Å; R362-D364 PolarHBondContact NE-OD1 3.24Å; R362-D364 IonicContact NH2-OD1 3.89Å; R362-D364 PolarHBondContact NH2-OD1 3.35Å; R362-D364 IonicContact NH2-OD2 3.22Å; R362-D364 PolarHBondContact NH2-OD2 3.24Å; R362-P386 HydrophobicContact CG-CB 3.91Å; R362-T387 WeakPolarHBondContact CA-O 3.44Å; R362-Y388 HydrophobicContact CB-CD1 3.89Å; R362-Y388 HydrophobicContact CB-CE1 3.76Å; R362-Y388 HydrophobicContact CG-CD1 4.21Å; R362-Y388 HydrophobicContact CG-CE1 3.73Å
363V93.4Very high88.5Confident0 Ų037.6 Ų37.60%019%0.191CC..EExtended strand (participates in β ladder)trans-126.7117.4171.6177.90000108.9F225 I260 T387F225-V363 HydrophobicContact CB-CG1 3.62Å; I260-V363 HydrophobicContact CG1-CG2 4.35Å; V363-T387 PolarHBondContact N-O 2.77Å; V363-T387 PolarHBondContact O-N 2.73Å; V363-T387 PolarHBondContact O-OG1 3.09Å
364D91.3Very high86.5Confident54 Ų5440.4 Ų40.429%0.28921%0.209SC..  trans-75143.9172.4-75-8.7000111.1T261 R362 P386T261-D364 PolarHBondContact OG1-N 2.83Å; R362-D364 IonicContact CZ-OD1 2.8Å; R362-D364 VanDerWaalsContact CZ-OD1 3.3Å; R362-D364 IonicContact NE-OD1 3.89Å; R362-D364 PolarHBondContact NE-OD1 3.24Å; R362-D364 IonicContact NH2-OD1 3.89Å; R362-D364 PolarHBondContact NH2-OD1 3.35Å; R362-D364 IonicContact NH2-OD2 3.22Å; R362-D364 PolarHBondContact NH2-OD2 3.24Å; D364-P386 WeakPolarHBondContact OD1-CB 3.45Å; D364-P386 WeakPolarHBondContact OD1-CG 3.4Å
365P91.4Very high84.3Confident21 Ų2143.3 Ų43.314%0.13624%0.236CC..  trans-67.1147.2-179.326.9-34.3000112.3R367 L384P365-R367 PolarHBondContact O-N 2.84Å; P365-L384 HydrophobicContact CG-CB 3.89Å
366D90.8Very high82.3Confident7 Ų750.3 Ų50.34%0.03726%0.263CS..  trans-73.995.6175.5-176.7-0.8000110.1R148 S224 F225 T368 V369 Y370R148-D366 IonicContact CZ-OD2 3.97Å; R148-D366 VanDerWaalsContact CZ-OD2 3.22Å; R148-D366 IonicContact NH1-OD2 3.75Å; R148-D366 PolarHBondContact NH1-OD2 2.9Å; R148-D366 IonicContact NH2-OD2 3.1Å; R148-D366 PolarHBondContact NH2-OD2 3.33Å; S224-D366 PolarHBondContact OG-N 2.78Å; F225-D366 HydrophobicContact CD1-CB 4.05Å; F225-D366 HydrophobicContact CD2-CB 3.62Å; F225-D366 HydrophobicContact CE1-CB 4.06Å; F225-D366 HydrophobicContact CE2-CB 3.62Å; F225-D366 HydrophobicContact CG-CB 3.82Å; F225-D366 HydrophobicContact CZ-CB 3.83Å; D366-T368 VanDerWaalsContact CG-OG1 3.24Å; D366-T368 PolarHBondContact O-N 2.92Å; D366-T368 VanDerWaalsContact O-N 3.09Å; D366-T368 VanDerWaalsContact OD1-CB 3.31Å; D366-T368 WeakPolarHBondContact OD1-CB 3.47Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.34Å; D366-T368 PolarHBondContact OD1-N 2.83Å; D366-T368 PolarHBondContact OD1-OG1 2.85Å; D366-T368 PolarHBondContact OD2-OG1 3.1Å; D366-V369 WeakPolarHBondContact O-CG2 3.36Å; D366-V369 PolarHBondContact O-N 3.26Å; D366-Y370 VanDerWaalsContact O-CD2 3.25Å; D366-Y370 WeakPolarHBondContact O-CD2 3.21Å; D366-Y370 WeakPolarHBondContact O-CE2 3.45Å
367R87Confident80.3Confident157 Ų15755.3 Ų55.359%0.59230%0.295SS*.G310 helixtrans-61.9-20.1-179.7-64.2-173.3179.8-164-0.8113.5P365 V369 Y370 L384P365-R367 PolarHBondContact O-N 2.84Å; R367-V369 VanDerWaalsContact C-N 3.3Å; R367-V369 PolarHBondContact O-N 2.9Å; R367-Y370 PolarHBondContact O-N 3.48Å; R367-L384 HydrophobicContact CG-CD1 4.47Å
368T85.8Confident78.7Confident94 Ų9460.6 Ų60.658%0.57732%0.324SS*.G310 helixtrans-69.5-25.5-177.771.50000112.8D366 Y370D366-T368 VanDerWaalsContact CG-OG1 3.24Å; D366-T368 PolarHBondContact O-N 2.92Å; D366-T368 VanDerWaalsContact O-N 3.09Å; D366-T368 VanDerWaalsContact OD1-CB 3.31Å; D366-T368 WeakPolarHBondContact OD1-CB 3.47Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.34Å; D366-T368 PolarHBondContact OD1-N 2.83Å; D366-T368 PolarHBondContact OD1-OG1 2.85Å; D366-T368 PolarHBondContact OD2-OG1 3.1Å; T368-Y370 VanDerWaalsContact C-N 3.3Å; T368-Y370 PolarHBondContact O-N 3.11Å
369V88.3Confident77Confident11 Ų1161.5 Ų61.57%0.06733%0.328CS..G310 helixtrans-79.4-13-179.7-56.80000114R119 L222 D366 R367R119-V369 PolarHBondContact NH1-O 3.01Å; R119-V369 PolarHBondContact NH2-O 2.86Å; L222-V369 HydrophobicContact CB-CB 4.22Å; L222-V369 HydrophobicContact CB-CG1 3.69Å; L222-V369 HydrophobicContact CD1-CG1 4.29Å; D366-V369 WeakPolarHBondContact O-CG2 3.36Å; D366-V369 PolarHBondContact O-N 3.26Å; R367-V369 VanDerWaalsContact C-N 3.3Å; R367-V369 PolarHBondContact O-N 2.9Å
370Y84.9Confident75.5Confident25 Ų2565.6 Ų65.610%0.09835%0.35CS..G310 helixtrans-91.5-5.9-175.9-64.7-84.3000113.7Q116 V117 R119 S224 D366 R367 T368 L372 I379 L384Q116-Y370 WeakPolarHBondContact O-CE1 3.25Å; V117-Y370 WeakPolarHBondContact O-CE1 3.46Å; V117-Y370 PolarHBondContact O-OH 3.28Å; R119-Y370 HydrophobicContact CG-CE1 4.08Å; S224-Y370 WeakPolarHBondContact CB-OH 3.34Å; D366-Y370 VanDerWaalsContact O-CD2 3.25Å; D366-Y370 WeakPolarHBondContact O-CD2 3.21Å; D366-Y370 WeakPolarHBondContact O-CE2 3.45Å; R367-Y370 PolarHBondContact O-N 3.48Å; T368-Y370 VanDerWaalsContact C-N 3.3Å; T368-Y370 PolarHBondContact O-N 3.11Å; Y370-L372 VanDerWaalsContact C-N 3.29Å; Y370-L372 PolarHBondContact O-N 2.9Å; Y370-I379 HydrophobicContact CD1-CD1 3.96Å; Y370-L384 HydrophobicContact CD1-CD2 3.98Å; Y370-L384 HydrophobicContact CD2-CD1 3.99Å; Y370-L384 HydrophobicContact CD2-CD2 4.06Å; Y370-L384 HydrophobicContact CE1-CD2 3.61Å; Y370-L384 HydrophobicContact CE2-CD1 4.36Å; Y370-L384 HydrophobicContact CE2-CD2 3.73Å; Y370-L384 HydrophobicContact CG-CD1 4.16Å; Y370-L384 HydrophobicContact CG-CD2 4.18Å; Y370-L384 VanDerWaalsContact CZ-CD2 3.48Å
371N70Confident74.1Confident100 Ų10069.5 Ų69.554%0.53538%0.375SS..  trans39.854.6-179.9-162.115.1000113.5S373N371-S373 PolarHBondContact O-N 3.23Å; N371-S373 VanDerWaalsContact O-N 3.1Å; N371-S373 PolarHBondContact OD1-OG 3.11Å
372L64.4Low72.9Confident81 Ų8173.3 Ų73.342%0.42440%0.401SS..THydrogen-bonded Turntrans-68-5.5-174.2-63.2168.8000113.8Y370 L384Y370-L372 VanDerWaalsContact C-N 3.29Å; Y370-L372 PolarHBondContact O-N 2.9Å; L372-L384 HydrophobicContact CD1-CD1 4.17Å
373S56.5Low72Confident95 Ų9578 Ų7866%0.66442%0.419SS*.THydrogen-bonded Turntrans-76.7-28.8-177.454.30000113.7N371N371-S373 PolarHBondContact O-N 3.23Å; N371-S373 VanDerWaalsContact O-N 3.1Å; N371-S373 PolarHBondContact OD1-OG 3.11Å
374N49.9Very low71.5Confident106 Ų10678.6 Ų78.657%0.56742%0.423SS*.SBendtrans-10784-178.4-75.4-5.7000109.9R376N374-R376 PolarHBondContact O-N 3.43Å
375S45.9Very low71.3Confident113 Ų11382.9 Ų82.979%0.7944%0.441SS*.  trans3247148.5600000116.6P377S375-P377 WeakPolarHBondContact O-CD 3.3Å
376R53.2Low71.3Confident148 Ų14883.7 Ų83.756%0.55845%0.446SS*.  trans-98.694.8161.3-78.4-156.6-168.9177.48.2106.1N374 D378N374-R376 PolarHBondContact O-N 3.43Å; R376-D378 PolarHBondContact O-N 2.88Å
377P53.7Low71.4Confident110 Ų11085.7 Ų85.771%0.71446%0.458SS*.THydrogen-bonded Turntrans-61.9-10.817924.7-33000113.1S375 I379S375-P377 WeakPolarHBondContact O-CD 3.3Å; P377-I379 PolarHBondContact O-N 3.03Å
378D61.9Low71.8Confident112 Ų11280.2 Ų80.260%0.59944%0.438SS*.THydrogen-bonded Turntrans-72.7-21.5-169.2-51.6-25000114.7R376 W383R376-D378 PolarHBondContact O-N 2.88Å; D378-W383 WeakPolarHBondContact O-CH2 3.46Å; D378-W383 WeakPolarHBondContact O-CZ3 3.38Å
379I62.8Low72.3Confident18 Ų1876.6 Ų76.69%0.09242%0.416CS..SBendtrans-113.9100.2-178.8-51.1178000109Q116 Y370 P377 W383 L384Q116-I379 HydrophobicContact CB-CD1 3.82Å; Q116-I379 HydrophobicContact CB-CG1 4.5Å; Y370-I379 HydrophobicContact CD1-CD1 3.96Å; P377-I379 PolarHBondContact O-N 3.03Å; I379-W383 HydrophobicContact CG2-CE3 4.49Å; I379-L384 HydrophobicContact CG2-CD2 4.37Å
380L67.2Low72.7Confident89 Ų8978.7 Ų78.747%0.46643%0.425SS..  trans-66.7135.1172.3-66172.1000109.5S382 W383L380-S382 WeakPolarHBondContact CB-OG 3.44Å; L380-S382 PolarHBondContact O-N 2.49Å; L380-W383 HydrophobicContact CB-CD2 4.31Å; L380-W383 HydrophobicContact CB-CG 4.27Å; L380-W383 HydrophobicContact CD1-CZ2 4.26Å; L380-W383 WeakPolarHBondContact O-CB 3.47Å; L380-W383 PolarHBondContact O-N 2.64Å
381P68.6Low73.3Confident82 Ų8277.7 Ų77.753%0.53242%0.422SS..G310 helixtrans-52.9-27.5172.8-2835.1000113.4W383 L384P381-W383 PolarHBondContact O-N 2.68Å; P381-L384 PolarHBondContact O-N 3.23Å; P381-L384 VanDerWaalsContact O-N 3.14Å
382S70.1Confident74.6Confident79 Ų7974.5 Ų74.555%0.55241%0.413SS*.G310 helixtrans-64.8-20.4176.356.90000114.3L380 L384 Q385L380-S382 WeakPolarHBondContact CB-OG 3.44Å; L380-S382 PolarHBondContact O-N 2.49Å; S382-L384 VanDerWaalsContact C-N 3.32Å; S382-Q385 WeakPolarHBondContact O-CG 3.33Å
383W74.7Confident76.2Confident136 Ų13673.3 Ų73.352%0.51540%0.403SS..G310 helixtrans-80.6-16.2175.7-63.1-5.9000112.6V117 D378 I379 L380 P381 Q385V117-W383 HydrophobicContact CG2-CE3 3.86Å; V117-W383 HydrophobicContact CG2-CZ3 4.22Å; D378-W383 WeakPolarHBondContact O-CH2 3.46Å; D378-W383 WeakPolarHBondContact O-CZ3 3.38Å; I379-W383 HydrophobicContact CG2-CE3 4.49Å; L380-W383 HydrophobicContact CB-CD2 4.31Å; L380-W383 HydrophobicContact CB-CG 4.27Å; L380-W383 HydrophobicContact CD1-CZ2 4.26Å; L380-W383 WeakPolarHBondContact O-CB 3.47Å; L380-W383 PolarHBondContact O-N 2.64Å; P381-W383 PolarHBondContact O-N 2.68Å; W383-Q385 VanDerWaalsContact C-N 3.26Å; W383-Q385 PolarHBondContact O-N 2.86Å; W383-Q385 VanDerWaalsContact O-N 3.09Å
384L84.1Confident78.1Confident13 Ų1369 Ų697%0.06837%0.372CS..  trans-87.768.4177.7-57.3-176.5000109.8P365 R367 Y370 L372 I379 P381 S382P365-L384 HydrophobicContact CG-CB 3.89Å; R367-L384 HydrophobicContact CG-CD1 4.47Å; Y370-L384 HydrophobicContact CD1-CD2 3.98Å; Y370-L384 HydrophobicContact CD2-CD1 3.99Å; Y370-L384 HydrophobicContact CD2-CD2 4.06Å; Y370-L384 HydrophobicContact CE1-CD2 3.61Å; Y370-L384 HydrophobicContact CE2-CD1 4.36Å; Y370-L384 HydrophobicContact CE2-CD2 3.73Å; Y370-L384 HydrophobicContact CG-CD1 4.16Å; Y370-L384 HydrophobicContact CG-CD2 4.18Å; Y370-L384 VanDerWaalsContact CZ-CD2 3.48Å; L372-L384 HydrophobicContact CD1-CD1 4.17Å; I379-L384 HydrophobicContact CG2-CD2 4.37Å; P381-L384 PolarHBondContact O-N 3.23Å; P381-L384 VanDerWaalsContact O-N 3.14Å; S382-L384 VanDerWaalsContact C-N 3.32Å
385Q86Confident80.1Confident143 Ų14372.4 Ų72.467%0.66838%0.382SS*.  trans-80.7150.8177.5-63.7-169.1-1800111.6S382 W383S382-Q385 WeakPolarHBondContact O-CG 3.33Å; W383-Q385 VanDerWaalsContact C-N 3.26Å; W383-Q385 PolarHBondContact O-N 2.86Å; W383-Q385 VanDerWaalsContact O-N 3.09Å
386P91.3Very high82.4Confident38 Ų3869.6 Ų69.625%0.24736%0.361CS..  trans-57.4147.5167.9-20.732.3000111.4R362 D364 Y388R362-P386 HydrophobicContact CG-CB 3.91Å; D364-P386 WeakPolarHBondContact OD1-CB 3.45Å; D364-P386 WeakPolarHBondContact OD1-CG 3.4Å; P386-Y388 HydrophobicContact CB-CE2 4.09Å; P386-Y388 WeakPolarHBondContact O-CE2 3.24Å
387T92.8Very high84.4Confident49 Ų4962.9 Ų62.930%0.30134%0.336SS..EExtended strand (participates in β ladder)trans-104.7151.7172.457.40000110P227 R362 V363P227-T387 WeakPolarHBondContact CD-OG1 3.4Å; R362-T387 WeakPolarHBondContact CA-O 3.44Å; V363-T387 PolarHBondContact N-O 2.77Å; V363-T387 PolarHBondContact O-N 2.73Å; V363-T387 PolarHBondContact O-OG1 3.09Å
388Y95.3Very high86.2Confident43 Ų4360.5 Ų60.517%0.16931%0.313CS..EExtended strand (participates in β ladder)trans-129.8143.4-175-57.7-88.2000110.4F264 F338 L339 I360 A361 R362 P386F264-Y388 HydrophobicContact CE2-CE1 4.22Å; F338-Y388 HydrophobicContact CD2-CD1 4.14Å; F338-Y388 AromaticContact CD2-CE1 3.69Å; F338-Y388 HydrophobicContact CD2-CE1 3.69Å; F338-Y388 AromaticContact CE2-CD1 3.65Å; F338-Y388 HydrophobicContact CE2-CD1 3.65Å; F338-Y388 AromaticContact CE2-CE1 3.59Å; F338-Y388 HydrophobicContact CE2-CE1 3.59Å; F338-Y388 HydrophobicContact CE2-CG 4.16Å; L339-Y388 HydrophobicContact CD2-CD2 4.34Å; L339-Y388 HydrophobicContact CD2-CE2 3.67Å; I360-Y388 HydrophobicContact CG2-CD1 3.89Å; I360-Y388 HydrophobicContact CG2-CG 4.42Å; A361-Y388 WeakPolarHBondContact O-CA 3.05Å; R362-Y388 HydrophobicContact CB-CD1 3.89Å; R362-Y388 HydrophobicContact CB-CE1 3.76Å; R362-Y388 HydrophobicContact CG-CD1 4.21Å; R362-Y388 HydrophobicContact CG-CE1 3.73Å; P386-Y388 HydrophobicContact CB-CE2 4.09Å; P386-Y388 WeakPolarHBondContact O-CE2 3.24Å
389S96.3Very high87.7Confident17 Ų1755.1 Ų55.112%0.11929%0.285CS..EExtended strand (participates in β ladder)trans-122152167.4-169.20000109P228 I231 I360 A361P228-S389 WeakPolarHBondContact O-CB 3.5Å; P228-S389 PolarHBondContact O-OG 2.99Å; I231-S389 VanDerWaalsContact CD1-C 3.47Å; I231-S389 VanDerWaalsContact CD1-O 3.3Å; I231-S389 WeakPolarHBondContact CD1-O 3.24Å; I360-S389 CarbonylContact C-O 3.23Å; I360-S389 WeakPolarHBondContact CA-O 3.45Å; A361-S389 PolarHBondContact N-O 2.82Å; A361-S389 PolarHBondContact O-N 3.43Å
390F97.6Very high88.8Confident55 Ų5554.6 Ų54.624%0.24128%0.283CS..EExtended strand (participates in β ladder)trans-129.8136-169.7-56-98.9000109.3P282 A283 F358 L359 I360P282-F390 HydrophobicContact CB-CB 3.9Å; P282-F390 HydrophobicContact CB-CD1 4.27Å; P282-F390 HydrophobicContact CB-CG 4.36Å; A283-F390 HydrophobicContact CB-CD2 3.77Å; A283-F390 HydrophobicContact CB-CE2 3.88Å; A283-F390 HydrophobicContact CB-CG 4.32Å; A283-F390 HydrophobicContact CB-CZ 4.49Å; F358-F390 HydrophobicContact CD2-CD1 4.14Å; F358-F390 AromaticContact CE2-CD1 3.83Å; F358-F390 HydrophobicContact CE2-CD1 3.83Å; F358-F390 HydrophobicContact CE2-CE1 4.35Å; L359-F390 WeakPolarHBondContact O-CA 3.3Å; I360-F390 HydrophobicContact CB-CD1 4.47Å; I360-F390 HydrophobicContact CD1-CD1 4.29Å; I360-F390 HydrophobicContact CD1-CE1 4.03Å; I360-F390 HydrophobicContact CG1-CD1 3.86Å; I360-F390 HydrophobicContact CG1-CE1 4.05Å; I360-F390 HydrophobicContact CG2-CD1 4.12Å; I360-F390 HydrophobicContact CG2-CE1 3.92Å; I360-F390 HydrophobicContact CG2-CZ 4.4Å
391S97.5Very high89.3Confident5 Ų554.5 Ų54.54%0.03528%0.284CS..  trans-70.7173.4165.8760000110.9P282 L359P282-S391 WeakPolarHBondContact CG-O 3.25Å; L359-S391 PolarHBondContact N-OG 2.92Å; L359-S391 PolarHBondContact O-N 2.84Å
392G96.8Very high88.8Confident33 Ų3354.3 Ų54.334%0.3429%0.289SS..  trans-69.2174.4160.100000111.8T233 F358T233-G392 WeakPolarHBondContact CG2-O 3.42Å; T233-G392 WeakPolarHBondContact OG1-CA 3.46Å; T233-G392 PolarHBondContact OG1-N 2.89Å; F358-G392 WeakPolarHBondContact CB-O 3.23Å
393Y96.8Very high87.8Confident56 Ų5654.9 Ų54.922%0.2229%0.293CS..PPolyproline II helixtrans-73134.3171.5-67.3-65.5000111.7T233 I268 L279 P280 P282 I356 G357 F358T233-Y393 VanDerWaalsContact CG2-C 3.48Å; T233-Y393 WeakPolarHBondContact CG2-O 3.47Å; I268-Y393 HydrophobicContact CD1-CD1 4.4Å; I268-Y393 HydrophobicContact CD1-CE1 3.57Å; L279-Y393 HydrophobicContact CB-CE2 4.2Å; P280-Y393 WeakPolarHBondContact O-CE2 3.36Å; P280-Y393 PolarHBondContact O-OH 2.9Å; P282-Y393 HydrophobicContact CG-CD1 4.3Å; P282-Y393 HydrophobicContact CG-CD2 4.13Å; P282-Y393 HydrophobicContact CG-CE1 3.94Å; P282-Y393 HydrophobicContact CG-CE2 3.76Å; P282-Y393 HydrophobicContact CG-CG 4.38Å; I356-Y393 HydrophobicContact CD1-CD1 4.15Å; I356-Y393 HydrophobicContact CD1-CG 3.93Å; I356-Y393 HydrophobicContact CG1-CD1 4.12Å; I356-Y393 HydrophobicContact CG1-CG 4.3Å; G357-Y393 WeakPolarHBondContact O-CA 2.79Å; F358-Y393 HydrophobicContact CB-CD1 4.39Å; F358-Y393 AromaticContact CD1-CD1 3.7Å; F358-Y393 HydrophobicContact CD1-CD1 3.7Å; F358-Y393 AromaticContact CD1-CE1 3.37Å; F358-Y393 HydrophobicContact CD1-CE1 3.37Å; F358-Y393 HydrophobicContact CE1-CD1 4.47Å; F358-Y393 AromaticContact CE1-CE1 3.73Å; F358-Y393 HydrophobicContact CE1-CE1 3.73Å; F358-Y393 HydrophobicContact CG-CD1 4.44Å; F358-Y393 HydrophobicContact CG-CE1 4.33Å
394F96.5Very high86.6Confident4 Ų455.7 Ų55.72%0.01830%0.302CS..PPolyproline II helixtrans-70.6165.9169.161.1-120.5000111.6T233 P234 A236 L265 I267 I356 G357T233-F394 HydrophobicContact CG2-CB 4.03Å; P234-F394 WeakPolarHBondContact O-CB 3.26Å; A236-F394 HydrophobicContact CB-CB 4.33Å; A236-F394 HydrophobicContact CB-CD1 4.1Å; A236-F394 HydrophobicContact CB-CD2 3.37Å; A236-F394 HydrophobicContact CB-CE1 4.18Å; A236-F394 HydrophobicContact CB-CE2 3.44Å; A236-F394 VanDerWaalsContact CB-CE2 3.44Å; A236-F394 HydrophobicContact CB-CG 3.71Å; A236-F394 HydrophobicContact CB-CZ 3.86Å; L265-F394 HydrophobicContact CD1-CE1 4.39Å; I267-F394 HydrophobicContact CD1-CE1 3.98Å; I267-F394 HydrophobicContact CD1-CZ 3.75Å; I356-F394 VanDerWaalsContact C-CE2 3.46Å; I356-F394 VanDerWaalsContact CA-CE2 3.44Å; I356-F394 HydrophobicContact CG1-CD2 4.42Å; I356-F394 VanDerWaalsContact CG1-O 3.25Å; I356-F394 WeakPolarHBondContact CG1-O 3.18Å; G357-F394 VanDerWaalsContact CA-CZ 3.48Å; G357-F394 VanDerWaalsContact N-CE2 3.32Å; G357-F394 WeakPolarHBondContact O-CD1 3.25Å; G357-F394 WeakPolarHBondContact O-CG 3.39Å; G357-F394 PolarHBondContact O-N 2.83Å
395K93.8Very high84.6Confident178 Ų17862 Ų6277%0.77433%0.331SS*.PPolyproline II helixtrans-64.8133.9178.2-72.9-174.5-180179.20110.9V397K395-V397 PolarHBondContact O-N 2.86Å
396P93.2Very high82Confident53 Ų5361.7 Ų61.734%0.34433%0.333SS..PPolyproline II helixtrans-54.8133.7179.6-22.630000112.4F276 Y355 I356F276-P396 HydrophobicContact CD1-CG 3.78Å; F276-P396 HydrophobicContact CD2-CG 3.81Å; F276-P396 HydrophobicContact CE1-CB 3.79Å; F276-P396 HydrophobicContact CE1-CG 3.37Å; F276-P396 HydrophobicContact CE2-CB 4Å; F276-P396 HydrophobicContact CE2-CG 3.41Å; F276-P396 VanDerWaalsContact CE2-CG 3.41Å; F276-P396 HydrophobicContact CG-CG 3.98Å; F276-P396 HydrophobicContact CZ-CB 3.41Å; F276-P396 VanDerWaalsContact CZ-CB 3.41Å; F276-P396 HydrophobicContact CZ-CG 3.17Å; Y355-P396 CarbonylContact O-C 3.53Å; Y355-P396 WeakPolarHBondContact O-CA 3.29Å; I356-P396 HydrophobicContact CD1-CG 4.15Å
397V94.5Very high79.4Confident8 Ų865.7 Ų65.75%0.04836%0.359CS..EExtended strand (participates in β ladder)trans-104.6124175.2-177.60000108.4A236 R238 I245 K354 Y355 K395 L399A236-V397 HydrophobicContact CB-CG2 3.59Å; R238-V397 HydrophobicContact CB-CG1 4.12Å; I245-V397 HydrophobicContact CD1-CB 4.19Å; I245-V397 HydrophobicContact CD1-CG1 4.4Å; I245-V397 HydrophobicContact CG1-CB 4.29Å; I245-V397 HydrophobicContact CG1-CG1 4Å; I245-V397 HydrophobicContact CG2-CB 4.39Å; I245-V397 HydrophobicContact CG2-CG1 4.43Å; I245-V397 HydrophobicContact CG2-CG2 4.06Å; K354-V397 CarbonylContact C-O 3.17Å; K354-V397 WeakPolarHBondContact CA-O 3.27Å; Y355-V397 PolarHBondContact N-O 2.9Å; Y355-V397 PolarHBondContact O-N 3.5Å; K395-V397 PolarHBondContact O-N 2.86Å; V397-L399 HydrophobicContact CG1-CD2 4.15Å
398Y92.8Very high76.6Confident59 Ų5968.8 Ų68.823%0.23138%0.383CS..EExtended strand (participates in β ladder)trans-95.8128.1175177.9-111.7000110.2L272 Y353 K354 G400L272-Y398 HydrophobicContact CD2-CD2 3.68Å; L272-Y398 HydrophobicContact CD2-CE2 3.42Å; L272-Y398 VanDerWaalsContact CD2-CE2 3.42Å; L272-Y398 HydrophobicContact CG-CE2 4.3Å; Y353-Y398 WeakPolarHBondContact O-CD2 3.13Å; K354-Y398 HydrophobicContact CG-CD2 4.17Å; Y398-G400 WeakPolarHBondContact CE1-O 3.06Å
399L92.6Very high73.6Confident0 Ų076.5 Ų76.50%044%0.441CS..EExtended strand (participates in β ladder)trans-102.4103.3175.7-60.6-173000109.2R238 T244 I245 L349 R351 G352 Y353 Y355 V397R238-L399 HydrophobicContact CB-CD2 4.48Å; R238-L399 HydrophobicContact CG-CD2 3.95Å; T244-L399 WeakPolarHBondContact O-CD2 3.27Å; I245-L399 HydrophobicContact CG1-CD1 4.27Å; I245-L399 HydrophobicContact CG1-CD2 4.01Å; I245-L399 HydrophobicContact CG1-CG 4.43Å; L349-L399 HydrophobicContact CB-CD1 3.49Å; L349-L399 VanDerWaalsContact CB-CD1 3.49Å; L349-L399 HydrophobicContact CD1-CD1 3.75Å; L349-L399 HydrophobicContact CG-CD1 4.28Å; R351-L399 CarbonylContact C-O 3.58Å; R351-L399 WeakPolarHBondContact CA-O 3.38Å; G352-L399 PolarHBondContact N-O 2.87Å; Y353-L399 PolarHBondContact O-N 2.84Å; Y355-L399 HydrophobicContact CD2-CD1 3.81Å; Y355-L399 HydrophobicContact CD2-CG 3.84Å; Y355-L399 HydrophobicContact CE2-CB 4.22Å; Y355-L399 HydrophobicContact CE2-CD1 3.5Å; Y355-L399 VanDerWaalsContact CE2-CD1 3.5Å; Y355-L399 HydrophobicContact CE2-CG 3.8Å; V397-L399 HydrophobicContact CG1-CD2 4.15Å
400G86.2Confident72.5Confident6 Ų679.5 Ų79.56%0.06246%0.457CS..SBendtrans142.5-175.1-177.900000112.5R238 Y398 A402R238-G400 PolarHBondContact NH1-O 3.39Å; Y398-G400 WeakPolarHBondContact CE1-O 3.06Å; G400-A402 PolarHBondContact O-N 3.15Å
401D77.6Confident71.1Confident88 Ų8880.7 Ų80.747%0.47147%0.468SS..  trans-83.1115.9-178.9-69.8-26.9000111.4S403D401-S403 PolarHBondContact O-N 3.37Å
402A57.7Low69.7Low78 Ų7884.9 Ų84.965%0.64549%0.492SS*.G310 helixtrans-67.3-19.4174.500000111.8G400G400-A402 PolarHBondContact O-N 3.15Å
403S49.9Very low68.1Low90 Ų9088 Ų8863%0.62950%0.501SS*.G310 helixtrans-76.3-13.6-176.346.90000115D401 H405D401-S403 PolarHBondContact O-N 3.37Å; S403-H405 PolarHBondContact O-N 3.18Å
404E48.5Very low66.3Low154 Ų15490 Ų9072%0.7252%0.519SS*.G310 helixtrans-79.2-2.4176.5-75.1-167.6155.400113.8
405H41.8Very low64.3Low144 Ų14495.7 Ų95.767%0.66755%0.552SS**SBendtrans-132.212.7-177.4-7963.9000115.4S403 P407S403-H405 PolarHBondContact O-N 3.18Å; H405-P407 VanDerWaalsContact O-CD 3.24Å; H405-P407 WeakPolarHBondContact O-CD 3.01Å
406L33.1Very low62.1Low137 Ų13789.9 Ų89.972%0.71754%0.536SS*.SBendtrans-73.1115151.2-78.8163.1000105.2S408L406-S408 PolarHBondContact O-N 3.33Å
407P35.8Very low59.8Low123 Ų12392.7 Ų92.780%0.79955%0.551SS**  trans-56.1110.817022.3-29.3000106.6H405 C409H405-P407 VanDerWaalsContact O-CD 3.24Å; H405-P407 WeakPolarHBondContact O-CD 3.01Å; P407-C409 PolarHBondContact O-N 3.49Å; P407-C409 VanDerWaalsContact O-N 3.12Å
408S34.7Very low56.9Low113 Ų11399.8 Ų99.879%0.7959%0.593SS**  trans-57.2113.6165.543.10000106.9L406L406-S408 PolarHBondContact O-N 3.33Å
409C31.8Very low53.6Low205 Ų205103.5 Ų103.5100%1.38563%0.626SS**  trans22.20165-65.10000119P407P407-C409 PolarHBondContact O-N 3.49Å; P407-C409 VanDerWaalsContact O-N 3.12Å

Retrieved 409 of 409 residues in 407.1 ms (Link to these results)