G4LWB6_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession G4LWB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 605 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	39.8	Very low	42.7	Very low	246 Å²	246	149.3 Å²	149.3	100%	1.212	85%	0.851	S	S	*	*				0	110	0	-74.4	-159.7	-88.6	0	0	107.1
2	S	32.4	Very low	43.3	Very low	117 Å²	117	147.4 Å²	147.4	82%	0.818	85%	0.849	S	S	*	*			trans	-87.4	132.2	-165	43.3	0	0	0	0	112.1
3	S	40.8	Very low	44.6	Very low	120 Å²	120	150.9 Å²	150.9	84%	0.839	85%	0.848	S	S	*	*			trans	-124.6	108.4	165.7	58.8	0	0	0	0	109.4
4	E	40.4	Very low	45.2	Very low	181 Å²	181	155.3 Å²	155.3	85%	0.846	85%	0.853	S	S	*	*			trans	-71.6	133.2	-178.4	-65.8	168.8	150.7	0	0	111.9
5	A	42.3	Very low	46.3	Very low	99 Å²	99	156.7 Å²	156.7	82%	0.818	85%	0.848	S	S	*	*			trans	-84.1	117.8	168.5	0	0	0	0	0	109.8	N7	A5-N7 PolarHBondContact O-N 2.65Å
6	R	42.8	Very low	48.2	Very low	241 Å²	241	152.6 Å²	152.6	91%	0.909	83%	0.825	S	S	*	*			trans	-83.1	106.8	172.3	-75.1	-178.6	174.8	179.4	-2.1	110.1
7	N	39.4	Very low	49.8	Very low	157 Å²	157	152.9 Å²	152.9	84%	0.84	82%	0.818	S	S	*	*			trans	-81.1	114.9	162.9	-91.1	-14.1	0	0	0	109.6	A5	A5-N7 PolarHBondContact O-N 2.65Å
8	S	48.3	Very low	51.6	Low	106 Å²	106	151.9 Å²	151.9	74%	0.741	81%	0.809	S	S	*	*			trans	-97.5	105.5	166	55.6	0	0	0	0	109.9	V10	S8-V10 PolarHBondContact O-N 3.23Å
9	N	40.9	Very low	53.1	Low	163 Å²	163	149.4 Å²	149.4	87%	0.872	80%	0.796	S	S	*	*			trans	-69.5	105.1	168.4	-82	-24.8	0	0	0	109.8
10	V	50.7	Low	54.5	Low	131 Å²	131	146.2 Å²	146.2	79%	0.794	78%	0.778	S	S	*	*			trans	-99.8	113.2	165.7	-179.2	0	0	0	0	107.7	S8	S8-V10 PolarHBondContact O-N 3.23Å
11	A	51.7	Low	55.9	Low	81 Å²	81	144.9 Å²	144.9	67%	0.669	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-64.7	142.5	175	0	0	0	0	0	110.6	K13	A11-K13 PolarHBondContact O-N 2.86Å
12	P	50.6	Low	58	Low	127 Å²	127	136.3 Å²	136.3	83%	0.825	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-64.8	123.6	179.5	25.9	-32.8	0	0	0	110.4	K14	P12-K14 PolarHBondContact O-N 3.08Å
13	K	59.2	Low	60.5	Low	193 Å²	193	136.8 Å²	136.8	84%	0.839	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-59.4	119.5	169.8	-78.2	-178.2	176.3	-179.8	0	108.3	A11 F15	A11-K13 PolarHBondContact O-N 2.86Å; K13-F15 PolarHBondContact O-N 3.15Å; K13-F15 VanDerWaalsContact O-N 3.17Å
14	K	53	Low	62.4	Low	212 Å²	212	134 Å²	134	92%	0.922	70%	0.7	S	S	*	*			trans	-63.7	113.4	169.4	-117.2	179.7	176.2	-176.1	0	107.7	P12	P12-K14 PolarHBondContact O-N 3.08Å
15	F	62.7	Low	64.6	Low	177 Å²	177	132.3 Å²	132.3	78%	0.776	69%	0.687	S	S	*	*			trans	-83.5	108.6	174.6	-116.3	-95.1	0	0	0	108	K13 I20	K13-F15 PolarHBondContact O-N 3.15Å; K13-F15 VanDerWaalsContact O-N 3.17Å; F15-I20 HydrophobicContact CD1-CD1 3.82Å; F15-I20 HydrophobicContact CE1-CD1 3.64Å
16	D	76.2	Confident	66.6	Low	90 Å²	90	129.9 Å²	129.9	48%	0.481	66%	0.664	S	S	.	*			trans	-101.6	109.5	168.5	-159	-24.9	0	0	0	109.2	M18 D19	D16-M18 PolarHBondContact O-N 3.42Å; D16-M18 PolarHBondContact OD1-N 3.41Å; D16-D19 HydrophobicContact CB-CB 4.41Å; D16-D19 PolarHBondContact O-N 2.86Å
17	F	75.2	Confident	68.7	Low	159 Å²	159	122.4 Å²	122.4	70%	0.697	64%	0.642	S	S	*	*	H	α-helix	trans	-64.8	-30.4	-177.1	-172.6	-91.6	0	0	0	111.8	F21	F17-F21 WeakPolarHBondContact O-CB 3.14Å; F17-F21 PolarHBondContact O-N 3.23Å
18	M	81.7	Confident	70.7	Confident	134 Å²	134	117.2 Å²	117.2	66%	0.66	62%	0.62	S	S	*	*	H	α-helix	trans	-71.6	-35	-178.4	-74	-60.8	-151.6	0	0	112.3	D16 F21 S22	D16-M18 PolarHBondContact O-N 3.42Å; D16-M18 PolarHBondContact OD1-N 3.41Å; M18-F21 PolarHBondContact O-N 2.97Å; M18-S22 WeakPolarHBondContact O-CB 3.31Å; M18-S22 PolarHBondContact O-N 3.39Å; M18-S22 PolarHBondContact O-OG 3.49Å
19	D	80	Confident	72.3	Confident	104 Å²	104	116.8 Å²	116.8	56%	0.556	61%	0.607	S	S	*	*	H	α-helix	trans	-65.8	-47.6	176.5	-79.8	-8.1	0	0	0	110.6	D16 F21 S22 E23	D16-D19 HydrophobicContact CB-CB 4.41Å; D16-D19 PolarHBondContact O-N 2.86Å; D19-F21 VanDerWaalsContact C-N 3.34Å; D19-F21 PolarHBondContact O-N 3.23Å; D19-S22 PolarHBondContact O-N 2.84Å; D19-S22 PolarHBondContact O-OG 3.22Å; D19-E23 WeakPolarHBondContact O-CB 3.11Å; D19-E23 PolarHBondContact O-N 2.93Å
20	I	81.2	Confident	74.3	Confident	86 Å²	86	116 Å²	116	44%	0.441	60%	0.595	S	S	.	*	H	α-helix	trans	-62.7	-40.9	177.7	-60.4	171.9	0	0	0	111.1	F15 E23 S24	F15-I20 HydrophobicContact CD1-CD1 3.82Å; F15-I20 HydrophobicContact CE1-CD1 3.64Å; I20-E23 PolarHBondContact O-N 3.37Å; I20-S24 WeakPolarHBondContact O-CB 3.08Å; I20-S24 PolarHBondContact O-N 3.34Å; I20-S24 PolarHBondContact O-OG 3.46Å
21	F	84.1	Confident	75.7	Confident	118 Å²	118	117.6 Å²	117.6	52%	0.518	59%	0.587	S	S	.	*	H	α-helix	trans	-65.3	-42.2	176.6	-175.2	-97.6	0	0	0	111.9	F17 M18 D19 S24 Y25	F17-F21 WeakPolarHBondContact O-CB 3.14Å; F17-F21 PolarHBondContact O-N 3.23Å; M18-F21 PolarHBondContact O-N 2.97Å; D19-F21 VanDerWaalsContact C-N 3.34Å; D19-F21 PolarHBondContact O-N 3.23Å; F21-S24 WeakPolarHBondContact CA-OG 3.18Å; F21-S24 PolarHBondContact O-OG 2.94Å; F21-Y25 VanDerWaalsContact O-CB 3.22Å; F21-Y25 WeakPolarHBondContact O-CB 3.37Å; F21-Y25 PolarHBondContact O-N 3.43Å
22	S	84.3	Confident	77.1	Confident	67 Å²	67	118.8 Å²	118.8	47%	0.469	58%	0.582	S	S	.	*	H	α-helix	trans	-65.8	-39.1	177.5	77.4	0	0	0	0	112.1	M18 D19 S26	M18-S22 WeakPolarHBondContact O-CB 3.31Å; M18-S22 PolarHBondContact O-N 3.39Å; M18-S22 PolarHBondContact O-OG 3.49Å; D19-S22 PolarHBondContact O-N 2.84Å; D19-S22 PolarHBondContact O-OG 3.22Å; S22-S26 WeakPolarHBondContact O-CB 3.12Å; S22-S26 PolarHBondContact O-N 3.08Å
23	E	84.5	Confident	78.4	Confident	127 Å²	127	118.4 Å²	118.4	59%	0.593	57%	0.569	S	S	*	*	H	α-helix	trans	-67.3	-49.1	178.8	-168.9	172.2	-164.9	0	0	110.5	D19 I20 Y25 S26 L27	D19-E23 WeakPolarHBondContact O-CB 3.11Å; D19-E23 PolarHBondContact O-N 2.93Å; I20-E23 PolarHBondContact O-N 3.37Å; E23-Y25 PolarHBondContact O-N 3.47Å; E23-S26 PolarHBondContact O-N 3.43Å; E23-S26 PolarHBondContact O-OG 2.77Å; E23-L27 WeakPolarHBondContact O-CB 3.41Å; E23-L27 PolarHBondContact O-N 3.09Å
24	S	81.2	Confident	79.4	Confident	62 Å²	62	111.7 Å²	111.7	43%	0.434	55%	0.55	S	S	.	*	H	α-helix	trans	-62.7	-40.2	176.5	54.2	0	0	0	0	112.7	I20 F21 L27 A28	I20-S24 WeakPolarHBondContact O-CB 3.08Å; I20-S24 PolarHBondContact O-N 3.34Å; I20-S24 PolarHBondContact O-OG 3.46Å; F21-S24 WeakPolarHBondContact CA-OG 3.18Å; F21-S24 PolarHBondContact O-OG 2.94Å; S24-L27 PolarHBondContact O-N 2.78Å; S24-A28 WeakPolarHBondContact O-CB 3.18Å; S24-A28 PolarHBondContact O-N 3.37Å
25	Y	85.7	Confident	80.4	Confident	144 Å²	144	104.5 Å²	104.5	57%	0.565	53%	0.526	S	S	*	.	H	α-helix	trans	-61.8	-43.8	173.8	-177.9	-97.8	0	0	0	111.9	F21 E23 L27 A28 Q29	F21-Y25 VanDerWaalsContact O-CB 3.22Å; F21-Y25 WeakPolarHBondContact O-CB 3.37Å; F21-Y25 PolarHBondContact O-N 3.43Å; E23-Y25 PolarHBondContact O-N 3.47Å; Y25-L27 VanDerWaalsContact C-N 3.32Å; Y25-L27 PolarHBondContact O-N 2.91Å; Y25-A28 PolarHBondContact O-N 3.42Å; Y25-Q29 WeakPolarHBondContact O-CB 3.34Å; Y25-Q29 PolarHBondContact O-N 2.9Å
26	S	85.2	Confident	80.9	Confident	48 Å²	48	100.6 Å²	100.6	34%	0.336	51%	0.514	S	S	.	.	H	α-helix	trans	-64.5	-37.1	177.7	80.6	0	0	0	0	112.4	S22 E23 Q29 K30	S22-S26 WeakPolarHBondContact O-CB 3.12Å; S22-S26 PolarHBondContact O-N 3.08Å; E23-S26 PolarHBondContact O-N 3.43Å; E23-S26 PolarHBondContact O-OG 2.77Å; S26-Q29 PolarHBondContact O-N 2.81Å; S26-K30 WeakPolarHBondContact O-CG 3.5Å; S26-K30 PolarHBondContact O-N 3.04Å
27	L	86.4	Confident	80.8	Confident	85 Å²	85	99 Å²	99	45%	0.445	51%	0.513	S	S	.	.	H	α-helix	trans	-72.2	-39.5	180	-150.4	153.9	0	0	0	110.8	E23 S24 Y25 K30 R31	E23-L27 WeakPolarHBondContact O-CB 3.41Å; E23-L27 PolarHBondContact O-N 3.09Å; S24-L27 PolarHBondContact O-N 2.78Å; Y25-L27 VanDerWaalsContact C-N 3.32Å; Y25-L27 PolarHBondContact O-N 2.91Å; L27-K30 PolarHBondContact O-N 3.33Å; L27-R31 PolarHBondContact O-N 3.04Å
28	A	81	Confident	80.6	Confident	48 Å²	48	100.7 Å²	100.7	40%	0.397	52%	0.515	S	S	.	.	H	α-helix	trans	-63	-40.7	170.8	0	0	0	0	0	112	S24 Y25 R31 N32	S24-A28 WeakPolarHBondContact O-CB 3.18Å; S24-A28 PolarHBondContact O-N 3.37Å; Y25-A28 PolarHBondContact O-N 3.42Å; A28-R31 PolarHBondContact O-N 3.29Å; A28-N32 WeakPolarHBondContact O-CB 3.37Å; A28-N32 PolarHBondContact O-N 2.89Å
29	Q	82.5	Confident	79.9	Confident	96 Å²	96	99.2 Å²	99.2	45%	0.449	51%	0.508	S	S	.	.	H	α-helix	trans	-64.9	-42.6	176.7	-164	178.1	7.9	0	0	111.9	Y25 S26 N32 Q33	Y25-Q29 WeakPolarHBondContact O-CB 3.34Å; Y25-Q29 PolarHBondContact O-N 2.9Å; S26-Q29 PolarHBondContact O-N 2.81Å; Q29-N32 PolarHBondContact O-N 3.05Å; Q29-Q33 WeakPolarHBondContact O-CG 3.43Å; Q29-Q33 PolarHBondContact O-N 2.83Å
30	K	84.3	Confident	79.2	Confident	146 Å²	146	100 Å²	100	64%	0.635	51%	0.512	S	S	*	.	H	α-helix	trans	-61.9	-42.7	173.4	-75.7	177.6	-179.3	175.1	0	112.2	S26 L27 Q33 A34	S26-K30 WeakPolarHBondContact O-CG 3.5Å; S26-K30 PolarHBondContact O-N 3.04Å; L27-K30 PolarHBondContact O-N 3.33Å; K30-Q33 PolarHBondContact O-N 3.42Å; K30-A34 WeakPolarHBondContact O-CB 3.43Å; K30-A34 PolarHBondContact O-N 3.22Å
31	R	80.1	Confident	78.4	Confident	166 Å²	166	99.9 Å²	99.9	63%	0.626	52%	0.524	S	S	*	.	H	α-helix	trans	-61.8	-45.2	175.6	-88	-179.7	157.5	146.3	-5.6	112.1	L27 A28 Q33 A34 S35	L27-R31 PolarHBondContact O-N 3.04Å; A28-R31 PolarHBondContact O-N 3.29Å; R31-Q33 PolarHBondContact O-N 3.21Å; R31-A34 PolarHBondContact O-N 3.25Å; R31-S35 WeakPolarHBondContact O-CB 3.21Å; R31-S35 PolarHBondContact O-N 3.44Å
32	N	79.2	Confident	77.2	Confident	105 Å²	105	101.2 Å²	101.2	56%	0.561	54%	0.536	S	S	*	.	H	α-helix	trans	-64.1	-40.4	176.6	-79	-15.2	0	0	0	112.1	A28 Q29 S35 N36	A28-N32 WeakPolarHBondContact O-CB 3.37Å; A28-N32 PolarHBondContact O-N 2.89Å; Q29-N32 PolarHBondContact O-N 3.05Å; N32-S35 PolarHBondContact O-N 3.48Å; N32-N36 WeakPolarHBondContact O-CB 3.34Å; N32-N36 PolarHBondContact O-N 3.2Å; N32-N36 PolarHBondContact O-ND2 3.23Å
33	Q	78.9	Confident	75.5	Confident	119 Å²	119	103.3 Å²	103.3	56%	0.556	54%	0.541	S	S	*	.	H	α-helix	trans	-63.3	-43	174.5	-75.2	176.2	-7.3	0	0	112.1	Q29 K30 R31 N36 A37	Q29-Q33 WeakPolarHBondContact O-CG 3.43Å; Q29-Q33 PolarHBondContact O-N 2.83Å; K30-Q33 PolarHBondContact O-N 3.42Å; R31-Q33 PolarHBondContact O-N 3.21Å; Q33-N36 PolarHBondContact O-N 2.94Å; Q33-A37 VanDerWaalsContact O-CB 3.3Å; Q33-A37 WeakPolarHBondContact O-CB 3.47Å; Q33-A37 PolarHBondContact O-N 2.94Å
34	A	79.3	Confident	73.6	Confident	53 Å²	53	103.2 Å²	103.2	44%	0.438	55%	0.552	S	S	.	*	H	α-helix	trans	-65.2	-41.1	176.7	0	0	0	0	0	112.4	K30 R31 A37 R38	K30-A34 WeakPolarHBondContact O-CB 3.43Å; K30-A34 PolarHBondContact O-N 3.22Å; R31-A34 PolarHBondContact O-N 3.25Å; A34-A37 PolarHBondContact O-N 2.83Å; A34-R38 WeakPolarHBondContact O-CG 3.26Å; A34-R38 PolarHBondContact O-N 3.35Å
35	S	73.9	Confident	71.8	Confident	60 Å²	60	109.3 Å²	109.3	42%	0.42	57%	0.573	S	S	.	*	H	α-helix	trans	-63.7	-45.4	175.1	-171.1	0	0	0	0	111.4	R31 N32 R38 I39	R31-S35 WeakPolarHBondContact O-CB 3.21Å; R31-S35 PolarHBondContact O-N 3.44Å; N32-S35 PolarHBondContact O-N 3.48Å; S35-R38 PolarHBondContact O-N 2.88Å; S35-I39 VanDerWaalsContact O-CG1 3.28Å; S35-I39 WeakPolarHBondContact O-CG1 3.47Å; S35-I39 PolarHBondContact O-N 3.37Å
36	N	74.5	Confident	69.3	Low	95 Å²	95	109.6 Å²	109.6	51%	0.508	58%	0.584	S	S	.	*	H	α-helix	trans	-66.3	-39.1	178.4	-70.4	-15.2	0	0	0	112.1	N32 Q33 I39 L40	N32-N36 WeakPolarHBondContact O-CB 3.34Å; N32-N36 PolarHBondContact O-N 3.2Å; N32-N36 PolarHBondContact O-ND2 3.23Å; Q33-N36 PolarHBondContact O-N 2.94Å; N36-I39 PolarHBondContact O-N 2.86Å; N36-L40 WeakPolarHBondContact O-CB 3.32Å; N36-L40 PolarHBondContact O-N 3.41Å
37	A	74.3	Confident	67.1	Low	57 Å²	57	114.4 Å²	114.4	47%	0.471	61%	0.606	S	S	.	*	H	α-helix	trans	-63.9	-39.1	175.5	0	0	0	0	0	112.1	Q33 A34 L40 A41	Q33-A37 VanDerWaalsContact O-CB 3.3Å; Q33-A37 WeakPolarHBondContact O-CB 3.47Å; Q33-A37 PolarHBondContact O-N 2.94Å; A34-A37 PolarHBondContact O-N 2.83Å; A37-L40 PolarHBondContact O-N 3.42Å; A37-A41 WeakPolarHBondContact O-CB 3.21Å; A37-A41 PolarHBondContact O-N 3.46Å
38	R	70	Confident	64.6	Low	194 Å²	194	114.9 Å²	114.9	73%	0.732	62%	0.617	S	S	*	*	H	α-helix	trans	-65.9	-40.1	173.5	-78.5	-180	175.3	179.2	-3.3	112.6	A34 S35 L40 A41 L42	A34-R38 WeakPolarHBondContact O-CG 3.26Å; A34-R38 PolarHBondContact O-N 3.35Å; S35-R38 PolarHBondContact O-N 2.88Å; R38-L40 VanDerWaalsContact C-N 3.32Å; R38-A41 PolarHBondContact O-N 3.35Å; R38-L42 WeakPolarHBondContact O-CG 3.37Å; R38-L42 PolarHBondContact O-N 3.07Å; R38-L42 VanDerWaalsContact O-N 3.1Å
39	I	67.6	Low	62.7	Low	103 Å²	103	121.7 Å²	121.7	53%	0.528	64%	0.641	S	S	.	*	H	α-helix	trans	-64.9	-38.4	175.4	-67	164.9	0	0	0	110.9	S35 N36 L42	S35-I39 VanDerWaalsContact O-CG1 3.28Å; S35-I39 WeakPolarHBondContact O-CG1 3.47Å; S35-I39 PolarHBondContact O-N 3.37Å; N36-I39 PolarHBondContact O-N 2.86Å; I39-L42 PolarHBondContact O-N 2.84Å
40	L	65.2	Low	60.2	Low	120 Å²	120	123.8 Å²	123.8	63%	0.628	66%	0.66	S	S	*	*	H	α-helix	trans	-66.3	-35	173	-92.8	147.5	0	0	0	112.6	N36 A37 R38 L42 L43	N36-L40 WeakPolarHBondContact O-CB 3.32Å; N36-L40 PolarHBondContact O-N 3.41Å; A37-L40 PolarHBondContact O-N 3.42Å; R38-L40 VanDerWaalsContact C-N 3.32Å; L40-L42 VanDerWaalsContact C-N 3.29Å; L40-L42 PolarHBondContact O-N 3.17Å; L40-L43 HydrophobicContact CD2-CD1 4.11Å; L40-L43 WeakPolarHBondContact O-CB 3.31Å; L40-L43 PolarHBondContact O-N 2.93Å
41	A	65.2	Low	58	Low	84 Å²	84	121.8 Å²	121.8	69%	0.694	67%	0.67	S	S	*	*	H	α-helix	trans	-73.4	-17.6	175.4	0	0	0	0	0	113.9	A37 R38 L43	A37-A41 WeakPolarHBondContact O-CB 3.21Å; A37-A41 PolarHBondContact O-N 3.46Å; R38-A41 PolarHBondContact O-N 3.35Å; A41-L43 VanDerWaalsContact C-N 3.32Å
42	L	58.8	Low	55.7	Low	146 Å²	146	122.7 Å²	122.7	76%	0.764	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-4.4	173.6	-74	162.8	0	0	0	112.8	R38 I39 L40	R38-L42 WeakPolarHBondContact O-CG 3.37Å; R38-L42 PolarHBondContact O-N 3.07Å; R38-L42 VanDerWaalsContact O-N 3.1Å; I39-L42 PolarHBondContact O-N 2.84Å; L40-L42 VanDerWaalsContact C-N 3.29Å; L40-L42 PolarHBondContact O-N 3.17Å
43	L	47.2	Very low	53.5	Low	112 Å²	112	125.9 Å²	125.9	59%	0.586	70%	0.695	S	S	*	*	S	Bend	trans	-75.6	127.6	166.2	-67.2	167.3	0	0	0	108.1	L40 A41 E45	L40-L43 HydrophobicContact CD2-CD1 4.11Å; L40-L43 WeakPolarHBondContact O-CB 3.31Å; L40-L43 PolarHBondContact O-N 2.93Å; A41-L43 VanDerWaalsContact C-N 3.32Å; L43-E45 PolarHBondContact O-N 3.43Å
44	P	44.8	Very low	51.3	Low	125 Å²	125	126.9 Å²	126.9	81%	0.812	71%	0.705	S	S	*	*			trans	-72.2	102.3	-172.9	28.6	-33.5	0	0	0	110.5
45	E	43.4	Very low	49.2	Very low	190 Å²	190	130.4 Å²	130.4	89%	0.888	72%	0.723	S	S	*	*			trans	-85	139.3	154.2	-72.5	-165.3	163.8	0	0	109.1	L43	L43-E45 PolarHBondContact O-N 3.43Å
46	N	34	Very low	47.5	Very low	149 Å²	149	133.3 Å²	133.3	80%	0.797	74%	0.741	S	S	*	*			trans	-57.9	155.9	-175.8	-71.7	-40.1	0	0	0	113
47	D	37.7	Very low	45.6	Very low	149 Å²	149	137.9 Å²	137.9	80%	0.797	76%	0.759	S	S	*	*			trans	95.7	98.4	158	-57.2	-23.6	0	0	0	118.8
48	S	34.3	Very low	43.5	Very low	95 Å²	95	144.6 Å²	144.6	66%	0.664	78%	0.781	S	S	*	*			trans	33.9	114.7	130.5	65.9	0	0	0	0	119.3
49	Q	41.4	Very low	41.8	Very low	192 Å²	192	140.8 Å²	140.8	90%	0.897	78%	0.783	S	S	*	*				172.5	141.4	109.1	-90.7	169.8	21.5	0	0	111.6
50	T	31.1	Very low	40	Very low	140 Å²	140	143.3 Å²	143.3	86%	0.859	80%	0.798	S	S	*	*			trans	-70.7	143	179.8	46.1	0	0	0	0	113.9
51	A	37.5	Very low	38.7	Very low	103 Å²	103	145.1 Å²	145.1	85%	0.851	81%	0.808	S	S	*	*			trans	-172.3	134.8	140.1	0	0	0	0	0	112.4
52	E	31.9	Very low	37	Very low	186 Å²	186	148.8 Å²	148.8	87%	0.869	82%	0.816	S	S	*	*			trans	-70.2	154.4	173.9	-60.2	172.8	148.1	0	0	112.6
53	M	32.7	Very low	36	Very low	171 Å²	171	148.1 Å²	148.1	84%	0.842	82%	0.818	S	S	*	*			trans	170.5	122.5	132.8	-95.3	172.7	60.4	0	0	113.8
54	D	32.4	Very low	35.4	Very low	141 Å²	141	152 Å²	152	75%	0.754	83%	0.833	S	S	*	*			trans	39.4	137.3	144.2	-54.4	-28.3	0	0	0	123.8
55	P	35.3	Very low	35.2	Very low	127 Å²	127	151.5 Å²	151.5	83%	0.825	83%	0.832	S	S	*	*			trans	-98.2	148.7	175.6	37.3	-29.8	0	0	0	113.3
56	P	38.6	Very low	35.1	Very low	121 Å²	121	149.3 Å²	149.3	79%	0.786	83%	0.827	S	S	*	*			trans	-114.6	145	171	36.6	-25.4	0	0	0	115.6
57	E	33.4	Very low	35.4	Very low	191 Å²	191	151.8 Å²	151.8	89%	0.893	83%	0.831	S	S	*	*			trans	7.6	131.1	153.9	-62.8	179.4	159.6	0	0	122
58	E	30.6	Very low	35.6	Very low	198 Å²	198	151.4 Å²	151.4	93%	0.925	83%	0.827	S	S	*	*			trans	-66.3	137.4	170.8	-66.4	178.6	157.3	0	0	113.1
59	S	34.2	Very low	36.4	Very low	113 Å²	113	148.6 Å²	148.6	79%	0.79	81%	0.813	S	S	*	*			trans	-132.6	124.6	160.2	57.2	0	0	0	0	110.9
60	N	29.9	Very low	36.5	Very low	157 Å²	157	143.1 Å²	143.1	84%	0.84	79%	0.794	S	S	*	*			trans	-63.9	127.5	178.9	-69.6	-42	0	0	0	111.9
61	L	37.4	Very low	37.1	Very low	158 Å²	158	139.4 Å²	139.4	83%	0.827	77%	0.774	S	S	*	*			trans	-142.1	111.5	158.1	-87.9	163.4	0	0	0	109.7	T63	L61-T63 PolarHBondContact O-N 2.87Å
62	D	30.1	Very low	37.8	Very low	161 Å²	161	139.8 Å²	139.8	86%	0.861	77%	0.768	S	S	*	*			trans	-58.4	120.7	169.2	-59.9	-50.4	0	0	0	110
63	T	37.9	Very low	38.5	Very low	132 Å²	132	139.7 Å²	139.7	81%	0.81	77%	0.768	S	S	*	*			trans	-158.2	134.2	158.1	-12.6	0	0	0	0	111.5	L61 S65	L61-T63 PolarHBondContact O-N 2.87Å; T63-S65 PolarHBondContact O-N 2.78Å
64	E	33.9	Very low	39.3	Very low	193 Å²	193	136.4 Å²	136.4	90%	0.902	75%	0.753	S	S	*	*			trans	-48.1	122	-176.7	-59.1	178.4	153.9	0	0	112.4	D66	E64-D66 PolarHBondContact O-N 2.69Å
65	S	42	Very low	39.9	Very low	115 Å²	115	134.9 Å²	134.9	80%	0.804	74%	0.743	S	S	*	*			trans	-92.6	97.7	-174.5	50	0	0	0	0	112.4	T63	T63-S65 PolarHBondContact O-N 2.78Å
66	D	40.2	Very low	40.6	Very low	144 Å²	144	132.9 Å²	132.9	77%	0.77	73%	0.725	S	S	*	*			trans	-56.6	142.5	146.6	-76.7	-35.3	0	0	0	109.6	E64 I68	E64-D66 PolarHBondContact O-N 2.69Å; D66-I68 PolarHBondContact O-N 2.82Å
67	F	41.2	Very low	41.2	Very low	201 Å²	201	132.1 Å²	132.1	88%	0.882	73%	0.729	S	S	*	*			trans	-45.1	99.4	-177.1	178.7	-100.8	0	0	0	113.2
68	I	42	Very low	42.1	Very low	140 Å²	140	131.5 Å²	131.5	72%	0.718	73%	0.726	S	S	*	*			trans	-105.2	110.1	166	-65.7	165.1	0	0	0	105.2	D66	D66-I68 PolarHBondContact O-N 2.82Å
69	G	50.8	Low	43.5	Very low	36 Å²	36	125.1 Å²	125.1	37%	0.371	70%	0.698	S	S	.	*	P	Polyproline II helix	trans	-56.1	154.1	170.8	0	0	0	0	0	110.7	S71	G69-S71 PolarHBondContact O-N 3.43Å
70	P	43.8	Very low	44.7	Very low	77 Å²	77	123.1 Å²	123.1	50%	0.5	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-55.7	140.7	-175.8	22.6	-31.9	0	0	0	111	Y82	P70-Y82 HydrophobicContact CG-CE1 4.17Å; P70-Y82 HydrophobicContact CG-CE2 4.48Å
71	S	43.7	Very low	46.3	Very low	62 Å²	62	118.2 Å²	118.2	43%	0.434	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-54.4	144.8	175.3	24.4	0	0	0	0	110.7	G69 E73 D74	G69-S71 PolarHBondContact O-N 3.43Å; S71-E73 PolarHBondContact O-N 3.33Å; S71-D74 PolarHBondContact O-N 2.89Å; S71-D74 PolarHBondContact OG-OD2 3.48Å
72	P	50.8	Low	47.9	Very low	111 Å²	111	113.4 Å²	113.4	72%	0.721	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-56.4	-13	178.6	-25.6	33.9	0	0	0	115.5	D74 M75	P72-D74 VanDerWaalsContact C-N 3.33Å; P72-M75 WeakPolarHBondContact O-CB 3.5Å; P72-M75 WeakPolarHBondContact O-CG 3.37Å
73	E	47.1	Very low	50.3	Low	185 Å²	185	105.9 Å²	105.9	86%	0.864	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-75.4	-19	178.5	-66.6	173.8	-169.3	0	0	112.9	S71	S71-E73 PolarHBondContact O-N 3.33Å
74	D	50.9	Low	52.4	Low	102 Å²	102	99.6 Å²	99.6	55%	0.545	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-96.4	13.1	175.4	-62.1	-52	0	0	0	113.3	S71 P72 D76	S71-D74 PolarHBondContact O-N 2.89Å; S71-D74 PolarHBondContact OG-OD2 3.48Å; P72-D74 VanDerWaalsContact C-N 3.33Å; D74-D76 VanDerWaalsContact C-N 3.35Å; D74-D76 PolarHBondContact O-N 2.89Å
75	M	44.8	Very low	54.8	Low	108 Å²	108	91.7 Å²	91.7	53%	0.532	51%	0.509	S	S	.	.			trans	-69.6	89.7	176.8	-70.4	-103.7	-67.1	0	0	109.9	P72 A77 Y82	P72-M75 WeakPolarHBondContact O-CB 3.5Å; P72-M75 WeakPolarHBondContact O-CG 3.37Å; M75-A77 PolarHBondContact O-N 3.49Å; M75-Y82 HydrophobicContact SD-CE2 4.41Å
76	D	49.9	Very low	56.9	Low	85 Å²	85	89.8 Å²	89.8	46%	0.455	49%	0.493	S	S	.	.			trans	-55.3	110.2	165.9	-79.7	-22.8	0	0	0	107.8	D74 E78 N79 K428	D74-D76 VanDerWaalsContact C-N 3.35Å; D74-D76 PolarHBondContact O-N 2.89Å; D76-E78 PolarHBondContact O-N 3.36Å; D76-N79 PolarHBondContact O-N 3.26Å; D76-K428 IonicContact OD1-NZ 2.92Å; D76-K428 IonicContact OD2-NZ 3.48Å; D76-K428 PolarHBondContact OD2-NZ 3.18Å
77	A	49.8	Very low	59.2	Low	105 Å²	105	87 Å²	87	87%	0.868	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.4	-175.6	0	0	0	0	0	113.7	M75	M75-A77 PolarHBondContact O-N 3.49Å
78	E	53.1	Low	61.5	Low	178 Å²	178	81.7 Å²	81.7	83%	0.832	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-25.7	179.5	-65.7	-173.1	163.3	0	0	114.2	D76	D76-E78 PolarHBondContact O-N 3.36Å
79	N	59.5	Low	63.8	Low	64 Å²	64	75.3 Å²	75.3	34%	0.342	42%	0.423	S	S	.	.			trans	-136	73.4	-174.8	-85.5	-30.4	0	0	0	112.6	D76 Y81 Y82	D76-N79 PolarHBondContact O-N 3.26Å; N79-Y81 PolarHBondContact O-N 2.83Å; N79-Y82 PolarHBondContact O-N 3.35Å; N79-Y82 VanDerWaalsContact O-N 3.15Å
80	P	60	Low	65.8	Low	72 Å²	72	77.2 Å²	77.2	47%	0.468	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.8	-175.6	25.1	-34.2	0	0	0	114.5
81	Y	64.3	Low	68.2	Low	54 Å²	54	73.6 Å²	73.6	21%	0.212	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	2.1	-177.6	-57.2	-67.4	0	0	0	114	N79 L83 V362 R383 I390	N79-Y81 PolarHBondContact O-N 2.83Å; Y81-L83 VanDerWaalsContact C-N 3.31Å; Y81-L83 PolarHBondContact O-N 2.86Å; Y81-V362 HydrophobicContact CD1-CG2 4.26Å; Y81-V362 HydrophobicContact CG-CG2 4.21Å; Y81-R383 VanDerWaalsContact OH-CD 3.28Å; Y81-R383 WeakPolarHBondContact OH-CD 3.26Å; Y81-R383 PolarHBondContact OH-NE 2.8Å; Y81-R383 VanDerWaalsContact OH-NE 3.17Å; Y81-R383 PolarHBondContact OH-NH1 3.49Å; Y81-I390 HydrophobicContact CD2-CD1 3.89Å; Y81-I390 HydrophobicContact CD2-CG2 4.25Å; Y81-I390 HydrophobicContact CE2-CD1 4.14Å; Y81-I390 HydrophobicContact CE2-CG1 4.49Å; Y81-I390 HydrophobicContact CG-CD1 4.37Å
82	Y	70.5	Confident	70.5	Confident	56 Å²	56	74.3 Å²	74.3	22%	0.22	41%	0.409	C	S	.	.			trans	52	47.9	178.7	-62	-77.7	0	0	0	113.1	P70 M75 N79 P84 N410 V429	P70-Y82 HydrophobicContact CG-CE1 4.17Å; P70-Y82 HydrophobicContact CG-CE2 4.48Å; M75-Y82 HydrophobicContact SD-CE2 4.41Å; N79-Y82 PolarHBondContact O-N 3.35Å; N79-Y82 VanDerWaalsContact O-N 3.15Å; Y82-P84 WeakPolarHBondContact O-CD 3.31Å; Y82-N410 PolarHBondContact O-ND2 2.95Å; Y82-V429 HydrophobicContact CD1-CG1 4.02Å; Y82-V429 HydrophobicContact CD1-CG2 3.6Å; Y82-V429 HydrophobicContact CE1-CG2 4.46Å; Y82-V429 HydrophobicContact CG-CG1 4.13Å; Y82-V429 HydrophobicContact CG-CG2 4.39Å
83	L	80.6	Confident	72.4	Confident	3 Å²	3	69.2 Å²	69.2	2%	0.016	38%	0.376	C	S	.	.			trans	-67.4	122.3	179.7	-65.7	-179.9	0	0	0	110.1	Y81 I85 V362 F381 I390 N391 W405	Y81-L83 VanDerWaalsContact C-N 3.31Å; Y81-L83 PolarHBondContact O-N 2.86Å; L83-I85 VanDerWaalsContact C-N 3.26Å; L83-I85 HydrophobicContact CB-CD1 4.43Å; L83-I85 HydrophobicContact CB-CG1 4.25Å; L83-I85 HydrophobicContact CB-CG2 4.34Å; L83-I85 PolarHBondContact O-N 2.89Å; L83-V362 HydrophobicContact CD2-CG1 4.27Å; L83-F381 HydrophobicContact CD1-CG 4.44Å; L83-F381 HydrophobicContact CD2-CD1 4.11Å; L83-F381 HydrophobicContact CD2-CE1 4.47Å; L83-F381 HydrophobicContact CD2-CG 4.42Å; L83-I390 HydrophobicContact CD1-CG2 3.84Å; L83-N391 HydrophobicContact CD1-CB 4.38Å; L83-W405 HydrophobicContact CD2-CH2 3.83Å
84	P	82.3	Confident	74.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.353	C	S	.	.			trans	-82.8	68.1	-176.1	35	-37.3	0	0	0	111	Y82 W405 N410 V412 Y424 Y425	Y82-P84 WeakPolarHBondContact O-CD 3.31Å; P84-W405 HydrophobicContact CG-CZ2 4.32Å; P84-N410 WeakPolarHBondContact CB-O 3.3Å; P84-N410 WeakPolarHBondContact CG-O 3.46Å; P84-V412 HydrophobicContact CG-CG2 3.82Å; P84-Y424 CarbonylContact O-C 3.54Å; P84-Y424 WeakPolarHBondContact O-CB 3.18Å; P84-Y425 PolarHBondContact O-N 3.43Å
85	I	84.4	Confident	76.4	Confident	28 Å²	28	62.9 Å²	62.9	14%	0.144	36%	0.364	C	S	.	.			trans	-119	1.8	-173.2	61.2	170.7	0	0	0	114.2	L83 F381 N391	L83-I85 VanDerWaalsContact C-N 3.26Å; L83-I85 HydrophobicContact CB-CD1 4.43Å; L83-I85 HydrophobicContact CB-CG1 4.25Å; L83-I85 HydrophobicContact CB-CG2 4.34Å; L83-I85 PolarHBondContact O-N 2.89Å; I85-F381 HydrophobicContact CG2-CE2 3.94Å; I85-F381 HydrophobicContact CG2-CZ 4.05Å; I85-N391 WeakPolarHBondContact CD1-ND2 3.33Å
86	T	85.2	Confident	78.7	Confident	75 Å²	75	62 Å²	62	46%	0.46	36%	0.358	S	S	.	.	S	Bend	trans	-74.7	-37.9	-170.5	60.1	0	0	0	0	112.8	Y425 D426	T86-Y425 PolarHBondContact OG1-O 3.11Å; T86-D426 HydrophobicContact CG2-CB 4.28Å; T86-D426 VanDerWaalsContact OG1-CA 3.27Å; T86-D426 WeakPolarHBondContact OG1-CA 3.4Å; T86-D426 WeakPolarHBondContact OG1-CB 3.35Å; T86-D426 VanDerWaalsContact OG1-CG 3.24Å; T86-D426 PolarHBondContact OG1-OD1 2.76Å
87	Q	87.9	Confident	80.8	Confident	85 Å²	85	59.2 Å²	59.2	40%	0.397	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	156.2	-178.8	-62.2	-174.7	-0.5	0	0	111.3	Y424 Y425	Q87-Y424 WeakPolarHBondContact O-CA 3.34Å; Q87-Y425 HydrophobicContact CB-CD1 4.44Å; Q87-Y425 HydrophobicContact CB-CD2 4.21Å; Q87-Y425 HydrophobicContact CB-CE1 3.98Å; Q87-Y425 HydrophobicContact CB-CE2 3.73Å; Q87-Y425 HydrophobicContact CG-CE2 4.39Å; Q87-Y425 PolarHBondContact N-O 3.25Å; Q87-Y425 PolarHBondContact O-N 3.16Å; Q87-Y425 VanDerWaalsContact O-N 3.09Å; Q87-Y425 VanDerWaalsContact OE1-CZ 3.27Å; Q87-Y425 PolarHBondContact OE1-OH 3.17Å
88	N	90.8	Very high	83	Confident	89 Å²	89	54.2 Å²	54.2	48%	0.476	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.1	179.9	70.3	-30.5	0	0	0	112.6	V423 Y424	N88-V423 CarbonylContact C-O 3.45Å; N88-V423 WeakPolarHBondContact CA-O 3.43Å; N88-Y424 HydrophobicContact CB-CD1 3.81Å; N88-Y424 HydrophobicContact CB-CE1 3.45Å; N88-Y424 VanDerWaalsContact CB-CE1 3.45Å
89	L	90.6	Very high	84.9	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.037	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.4	168	-168.3	75.6	0	0	0	108.2	L91 F124 C131 N422 V423 Y425 A434 C437	L89-L91 HydrophobicContact CD2-CD2 4.29Å; L89-F124 HydrophobicContact CD2-CD1 4.33Å; L89-F124 HydrophobicContact CD2-CE1 3.87Å; L89-C131 WeakPolarHBondContact CD1-SG 3.44Å; L89-N422 CarbonylContact O-C 3.59Å; L89-N422 WeakPolarHBondContact O-CA 3.36Å; L89-V423 HydrophobicContact CB-CB 4.22Å; L89-V423 PolarHBondContact N-O 3.15Å; L89-V423 PolarHBondContact O-N 3.05Å; L89-Y425 HydrophobicContact CB-CE1 4.16Å; L89-A434 HydrophobicContact CB-CB 4.36Å; L89-A434 HydrophobicContact CD2-CB 3.93Å; L89-C437 HydrophobicContact CD2-CB 4.31Å
90	T	92.1	Very high	86.6	Confident	76 Å²	76	42.7 Å²	42.7	47%	0.466	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.4	-177.3	66.4	0	0	0	0	110.8	N422	T90-N422 WeakPolarHBondContact CG2-OD1 3.29Å
91	L	93	Very high	88.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	113.8	177.9	-52.7	179.6	0	0	0	108.9	L89 H93 W122 M127 C131 V420 A421 V423	L89-L91 HydrophobicContact CD2-CD2 4.29Å; L91-H93 PolarHBondContact O-N 3.47Å; L91-W122 HydrophobicContact CB-CD2 4.26Å; L91-W122 HydrophobicContact CB-CE3 4.26Å; L91-W122 HydrophobicContact CB-CH2 4.11Å; L91-W122 HydrophobicContact CB-CZ2 4.12Å; L91-W122 HydrophobicContact CB-CZ3 4.17Å; L91-W122 HydrophobicContact CD1-CB 4.41Å; L91-W122 HydrophobicContact CD1-CD2 4.06Å; L91-W122 HydrophobicContact CD1-CG 4Å; L91-W122 HydrophobicContact CD2-CD2 4.46Å; L91-W122 HydrophobicContact CD2-CE3 4.08Å; L91-W122 HydrophobicContact CD2-CZ3 4.46Å; L91-W122 HydrophobicContact CG-CD2 4.5Å; L91-M127 HydrophobicContact CD2-CE 4.49Å; L91-C131 HydrophobicContact CD2-CB 3.76Å; L91-V420 WeakPolarHBondContact O-CG1 3.43Å; L91-A421 HydrophobicContact CB-CB 4.21Å; L91-A421 WeakPolarHBondContact CB-O 3.25Å; L91-A421 PolarHBondContact N-O 3.23Å; L91-A421 PolarHBondContact O-N 2.89Å; L91-V423 HydrophobicContact CD1-CG2 4.15Å; L91-V423 HydrophobicContact CG-CG2 4.44Å
92	S	92.2	Very high	89.8	Confident	78 Å²	78	36.9 Å²	36.9	55%	0.545	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	97.2	-175.2	54.6	0	0	0	0	111.8	W122	S92-W122 WeakPolarHBondContact O-CH2 3.26Å
93	H	92.2	Very high	91	Very high	3 Å²	3	35 Å²	35	1%	0.014	21%	0.211	C	C	.	.			trans	-81.6	-50.8	178.6	-175.1	104.6	0	0	0	111.6	L91 L98 T112 D116 D118 K120 W122 G419	L91-H93 PolarHBondContact O-N 3.47Å; H93-L98 HydrophobicContact CB-CD1 3.78Å; H93-L98 HydrophobicContact CB-CD2 3.7Å; H93-L98 HydrophobicContact CB-CG 4.06Å; H93-L98 VanDerWaalsContact CD2-CD2 3.49Å; H93-L98 WeakPolarHBondContact CD2-CD2 3.39Å; H93-L98 VanDerWaalsContact CG-CD2 3.42Å; H93-T112 PolarHBondContact CE1-O 3.29Å; H93-T112 PolarHBondContact ND1-OG1 2.8Å; H93-D116 IonicContact CD2-OD1 3.66Å; H93-D116 IonicContact CD2-OD2 3.08Å; H93-D116 PolarHBondContact CD2-OD2 3.42Å; H93-D116 VanDerWaalsContact NE2-CG 3.34Å; H93-D116 IonicContact NE2-OD1 3.5Å; H93-D116 PolarHBondContact NE2-OD1 2.83Å; H93-D116 IonicContact NE2-OD2 3.84Å; H93-D116 PolarHBondContact NE2-OD2 3.23Å; H93-D118 PolarHBondContact CE1-O 3.37Å; H93-D118 VanDerWaalsContact CE1-O 3.29Å; H93-D118 PolarHBondContact NE2-O 2.93Å; H93-K120 HydrophobicContact CB-CD 4.41Å; H93-K120 VanDerWaalsContact CE1-CG 3.49Å; H93-K120 WeakPolarHBondContact CE1-CG 3.04Å; H93-K120 WeakPolarHBondContact ND1-CD 3.39Å; H93-K120 WeakPolarHBondContact ND1-CG 3.48Å; H93-K120 VanDerWaalsContact O-CE 3.25Å; H93-K120 WeakPolarHBondContact O-CE 3.49Å; H93-K120 PolarHBondContact O-NZ 2.97Å; H93-W122 HydrophobicContact CB-CZ2 4.38Å; H93-G419 WeakPolarHBondContact CB-O 3.36Å; H93-G419 PolarHBondContact N-O 3.45Å; H93-G419 VanDerWaalsContact N-O 3.13Å
94	G	90.3	Very high	91.6	Very high	37 Å²	37	35.1 Å²	35.1	38%	0.381	21%	0.211	S	C	.	.			trans	-178.5	-160.5	-175.9	0	0	0	0	0	112.5	G419	G94-G419 PolarHBondContact N-O 2.89Å; G94-G419 CarbonylContact O-C 3.59Å; G94-G419 WeakPolarHBondContact O-CA 3.2Å
95	C	90.4	Very high	92.1	Very high	117 Å²	117	36.7 Å²	36.7	79%	0.791	22%	0.222	S	C	*	.	S	Bend	trans	-101.7	-7.7	178.2	58.4	0	0	0	0	113.6
96	K	93.5	Very high	92.4	Very high	89 Å²	89	37.9 Å²	37.9	39%	0.387	24%	0.236	S	C	.	.	S	Bend	trans	-96.4	154.8	179.4	-64.9	-164	-168.8	171.4	0	110.3	L98 F115 D116 G419	K96-L98 PolarHBondContact O-N 2.77Å; K96-F115 HydrophobicContact CB-CB 4.22Å; K96-F115 HydrophobicContact CD-CB 4.35Å; K96-F115 WeakPolarHBondContact CD-O 3.4Å; K96-F115 PolarHBondContact NZ-O 2.94Å; K96-D116 HydrophobicContact CB-CB 4.25Å; K96-D116 HydrophobicContact CD-CB 3.9Å; K96-D116 HydrophobicContact CG-CB 4.32Å; K96-G419 WeakPolarHBondContact O-CA 3.2Å
97	P	94.1	Very high	92.6	Very high	27 Å²	27	34.3 Å²	34.3	18%	0.175	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-54.2	132.2	177.9	-26.5	34.3	0	0	0	112.9	G114 F115 F349 I401 S417	P97-G114 WeakPolarHBondContact O-CA 3.27Å; P97-F115 HydrophobicContact CB-CD2 3.88Å; P97-F115 HydrophobicContact CB-CE2 4.27Å; P97-F115 HydrophobicContact CG-CD2 4.48Å; P97-F115 WeakPolarHBondContact O-CD2 3.41Å; P97-F115 PolarHBondContact O-N 3.33Å; P97-F349 HydrophobicContact CB-CE1 4.27Å; P97-I401 HydrophobicContact CB-CD1 4.12Å; P97-S417 VanDerWaalsContact CA-O 3.29Å; P97-S417 WeakPolarHBondContact CA-O 3.2Å; P97-S417 WeakPolarHBondContact CG-O 3.16Å
98	L	95.3	Very high	92.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.4	169.8	-78.4	177.7	0	0	0	109.7	H93 K96 G113 I401 S416 V420 A421	H93-L98 HydrophobicContact CB-CD1 3.78Å; H93-L98 HydrophobicContact CB-CD2 3.7Å; H93-L98 HydrophobicContact CB-CG 4.06Å; H93-L98 VanDerWaalsContact CD2-CD2 3.49Å; H93-L98 WeakPolarHBondContact CD2-CD2 3.39Å; H93-L98 VanDerWaalsContact CG-CD2 3.42Å; K96-L98 PolarHBondContact O-N 2.77Å; L98-G113 WeakPolarHBondContact CD2-O 3.42Å; L98-I401 VanDerWaalsContact O-CD1 3.24Å; L98-I401 WeakPolarHBondContact O-CD1 3.37Å; L98-S416 PolarHBondContact N-O 3.12Å; L98-S416 VanDerWaalsContact N-O 3.11Å; L98-V420 VanDerWaalsContact CD1-C 3.43Å; L98-A421 HydrophobicContact CD1-CB 3.92Å
99	T	94.4	Very high	92.8	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-32.2	-175.4	36.4	0	0	0	0	113.1	G113 F115 I145 Q351	T99-G113 PolarHBondContact N-O 3.11Å; T99-G113 PolarHBondContact OG1-O 2.99Å; T99-G113 VanDerWaalsContact OG1-O 3.13Å; T99-F115 HydrophobicContact CG2-CD2 3.33Å; T99-F115 HydrophobicContact CG2-CE2 3.07Å; T99-F115 HydrophobicContact CG2-CZ 4.15Å; T99-I145 WeakPolarHBondContact CB-O 3.24Å; T99-I145 PolarHBondContact OG1-O 2.71Å; T99-Q351 HydrophobicContact CG2-CG 4.34Å
100	A	95	Very high	93	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	141.2	-168.7	0	0	0	0	0	110.9	G113 I145 L148	A100-G113 PolarHBondContact N-O 3.39Å; A100-G113 PolarHBondContact O-N 3.27Å; A100-I145 HydrophobicContact CB-CG2 4.27Å; A100-L148 HydrophobicContact CB-CB 4.13Å; A100-L148 HydrophobicContact CB-CD1 4.13Å; A100-L148 HydrophobicContact CB-CG 3.8Å
101	I	95.7	Very high	93.2	Very high	2 Å²	2	25 Å²	25	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	130.6	172.2	-171.2	155.4	0	0	0	108.3	V110 A111 T112 F413 A421	I101-V110 HydrophobicContact CD1-CG1 4.11Å; I101-V110 HydrophobicContact CG1-CG1 3.93Å; I101-A111 CarbonylContact C-O 3.6Å; I101-A111 WeakPolarHBondContact CA-O 3.5Å; I101-T112 HydrophobicContact CD1-CG2 4.28Å; I101-T112 HydrophobicContact CG1-CG2 4.36Å; I101-F413 HydrophobicContact CD1-CB 3.78Å; I101-F413 HydrophobicContact CD1-CD1 4.37Å; I101-F413 HydrophobicContact CG1-CB 4.39Å; I101-A421 HydrophobicContact CD1-CB 3.97Å
102	G	95.6	Very high	93.4	Very high	3 Å²	3	25 Å²	25	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.4	174.2	0	0	0	0	0	109.5	V110 A111 F150	G102-V110 CarbonylContact O-C 3.59Å; G102-V110 WeakPolarHBondContact O-CA 3.47Å; G102-V110 WeakPolarHBondContact O-CG1 3.41Å; G102-A111 PolarHBondContact N-O 3.29Å; G102-A111 PolarHBondContact O-N 2.8Å; G102-F150 WeakPolarHBondContact O-CE2 3.34Å
103	V	95.2	Very high	93.6	Very high	17 Å²	17	21.3 Å²	21.3	10%	0.103	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.4	175.8	-173	0	0	0	0	108.9	V110 T404 H406 F413	V103-V110 HydrophobicContact CG1-CG2 4.3Å; V103-V110 HydrophobicContact CG2-CG1 4.46Å; V103-V110 HydrophobicContact CG2-CG2 4.25Å; V103-T404 HydrophobicContact CG2-CG2 4.26Å; V103-H406 VanDerWaalsContact CG1-CD2 3.43Å; V103-H406 WeakPolarHBondContact CG1-CD2 3.42Å; V103-F413 HydrophobicContact CG1-CE2 4.22Å; V103-F413 HydrophobicContact CG1-CZ 4.19Å; V103-F413 HydrophobicContact CG2-CB 4.31Å; V103-F413 HydrophobicContact CG2-CD1 3.91Å; V103-F413 HydrophobicContact CG2-CD2 3.75Å; V103-F413 HydrophobicContact CG2-CE1 4.16Å; V103-F413 HydrophobicContact CG2-CE2 4.02Å; V103-F413 HydrophobicContact CG2-CG 3.71Å; V103-F413 HydrophobicContact CG2-CZ 4.23Å
104	D	94	Very high	93.6	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.021	14%	0.138	C	C	.	.			trans	-59.6	137	174.5	176	-7.1	0	0	0	109.8	A106 G107 R109 F150 G154 R171 H406	D104-A106 PolarHBondContact O-N 2.8Å; D104-A106 PolarHBondContact OD1-N 2.87Å; D104-G107 WeakPolarHBondContact O-CA 3.43Å; D104-G107 PolarHBondContact O-N 3.39Å; D104-R109 HydrophobicContact CB-CB 4.14Å; D104-R109 WeakPolarHBondContact CB-O 3.27Å; D104-R109 PolarHBondContact N-O 2.8Å; D104-F150 HydrophobicContact CB-CD1 4.33Å; D104-F150 HydrophobicContact CB-CE1 4.46Å; D104-F150 HydrophobicContact CB-CG 4.37Å; D104-G154 WeakPolarHBondContact OD1-CA 3.4Å; D104-R171 IonicContact OD2-CZ 2.83Å; D104-R171 VanDerWaalsContact OD2-CZ 3.3Å; D104-R171 IonicContact OD2-NE 3.31Å; D104-R171 PolarHBondContact OD2-NE 2.94Å; D104-R171 IonicContact OD2-NH2 2.92Å; D104-R171 PolarHBondContact OD2-NH2 3.02Å; D104-H406 PolarHBondContact O-NE2 2.92Å
105	P	92.8	Very high	93.8	Very high	33 Å²	33	22.2 Å²	22.2	21%	0.214	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-28	175.2	-29	34.4	0	0	0	115.4	G107 S151 H406 R408	P105-G107 VanDerWaalsContact C-N 3.29Å; P105-S151 VanDerWaalsContact CG-O 3.31Å; P105-S151 WeakPolarHBondContact CG-O 3.01Å; P105-H406 PolarHBondContact O-CE1 3.41Å; P105-H406 PolarHBondContact O-NE2 3.31Å; P105-R408 WeakPolarHBondContact O-CD 3.45Å
106	A	91.1	Very high	93.9	Very high	53 Å²	53	17.6 Å²	17.6	44%	0.438	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.7	174.1	0	0	0	0	0	113.4	D104 A108	D104-A106 PolarHBondContact O-N 2.8Å; D104-A106 PolarHBondContact OD1-N 2.87Å; A106-A108 VanDerWaalsContact C-N 3.32Å
107	G	89.3	Confident	93.9	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.01	9%	0.094	C	C	.	.	S	Bend	trans	78	9.4	-178	0	0	0	0	0	114.8	D104 P105	D104-G107 WeakPolarHBondContact O-CA 3.43Å; D104-G107 PolarHBondContact O-N 3.39Å; P105-G107 VanDerWaalsContact C-N 3.29Å
108	A	90.1	Very high	93.9	Very high	24 Å²	24	16.3 Å²	16.3	20%	0.198	9%	0.093	C	C	.	.	S	Bend	trans	-84.2	-34.3	-178.7	0	0	0	0	0	113	A106 F124	A106-A108 VanDerWaalsContact C-N 3.32Å; A108-F124 PolarHBondContact O-N 3.34Å
109	R	92.3	Very high	93.9	Very high	38 Å²	38	16.3 Å²	16.3	14%	0.143	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.3	-176	-65.3	-171	-173.5	-170.1	1.1	112.4	D104 W122 D123 R171 D172	D104-R109 HydrophobicContact CB-CB 4.14Å; D104-R109 WeakPolarHBondContact CB-O 3.27Å; D104-R109 PolarHBondContact N-O 2.8Å; R109-W122 VanDerWaalsContact CA-O 3.25Å; R109-W122 WeakPolarHBondContact CA-O 3.22Å; R109-D123 HydrophobicContact CG-CB 4.36Å; R109-R171 VanDerWaalsContact CD-NE 3.33Å; R109-R171 VanDerWaalsContact NH1-CG 3.27Å; R109-R171 PolarHBondContact NH1-O 3.31Å; R109-D172 IonicContact CZ-OD1 3.55Å; R109-D172 VanDerWaalsContact CZ-OD1 3.31Å; R109-D172 IonicContact NH1-OD1 3Å; R109-D172 PolarHBondContact NH1-OD1 3.21Å; R109-D172 IonicContact NH2-OD1 3.91Å; R109-D172 PolarHBondContact NH2-OD1 3.06Å
110	V	95.1	Very high	94	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.8	175.2	-179.1	0	0	0	0	108.5	I101 G102 V103 T112 W122 F124 F413	I101-V110 HydrophobicContact CD1-CG1 4.11Å; I101-V110 HydrophobicContact CG1-CG1 3.93Å; G102-V110 CarbonylContact O-C 3.59Å; G102-V110 WeakPolarHBondContact O-CA 3.47Å; G102-V110 WeakPolarHBondContact O-CG1 3.41Å; V103-V110 HydrophobicContact CG1-CG2 4.3Å; V103-V110 HydrophobicContact CG2-CG1 4.46Å; V103-V110 HydrophobicContact CG2-CG2 4.25Å; V110-T112 HydrophobicContact CG1-CG2 4.42Å; V110-W122 HydrophobicContact CB-CB 4.19Å; V110-W122 PolarHBondContact N-O 3.09Å; V110-W122 VanDerWaalsContact O-CD1 3.31Å; V110-W122 PolarHBondContact O-N 3.15Å; V110-F124 HydrophobicContact CG2-CD2 4.37Å; V110-F124 HydrophobicContact CG2-CE2 3.34Å; V110-F124 HydrophobicContact CG2-CZ 3.54Å; V110-F413 HydrophobicContact CG1-CD1 4.48Å; V110-F413 HydrophobicContact CG2-CD1 4.14Å; V110-F413 HydrophobicContact CG2-CE1 3.63Å; V110-F413 HydrophobicContact CG2-CZ 4.38Å
111	A	96.2	Very high	94	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.9	171.9	0	0	0	0	0	109.2	I101 G102 K120 L121 L148 F150 L157	I101-A111 CarbonylContact C-O 3.6Å; I101-A111 WeakPolarHBondContact CA-O 3.5Å; G102-A111 PolarHBondContact N-O 3.29Å; G102-A111 PolarHBondContact O-N 2.8Å; A111-K120 CarbonylContact C-O 3.59Å; A111-K120 WeakPolarHBondContact CA-O 3.46Å; A111-L121 HydrophobicContact CB-CD2 3.62Å; A111-L148 HydrophobicContact CB-CD1 4.06Å; A111-F150 HydrophobicContact CB-CE2 3.77Å; A111-F150 HydrophobicContact CB-CZ 3.91Å; A111-L157 HydrophobicContact CB-CD1 4.02Å; A111-L157 HydrophobicContact CB-CD2 3.7Å
112	T	97	Very high	93.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.7	174.7	56.3	0	0	0	0	109.9	H93 I101 V110 V119 K120 W122 L148 A421	H93-T112 PolarHBondContact CE1-O 3.29Å; H93-T112 PolarHBondContact ND1-OG1 2.8Å; I101-T112 HydrophobicContact CD1-CG2 4.28Å; I101-T112 HydrophobicContact CG1-CG2 4.36Å; V110-T112 HydrophobicContact CG1-CG2 4.42Å; T112-V119 CarbonylContact O-C 3.59Å; T112-V119 WeakPolarHBondContact O-CA 3.1Å; T112-K120 PolarHBondContact N-O 2.95Å; T112-K120 PolarHBondContact O-N 3.29Å; T112-W122 PolarHBondContact OG1-NE1 3.41Å; T112-L148 VanDerWaalsContact C-CD1 3.49Å; T112-A421 HydrophobicContact CG2-CB 3.76Å
113	G	95.7	Very high	93.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	143.6	178.2	0	0	0	0	0	110.7	L98 T99 A100	L98-G113 WeakPolarHBondContact CD2-O 3.42Å; T99-G113 PolarHBondContact N-O 3.11Å; T99-G113 PolarHBondContact OG1-O 2.99Å; T99-G113 VanDerWaalsContact OG1-O 3.13Å; A100-G113 PolarHBondContact N-O 3.39Å; A100-G113 PolarHBondContact O-N 3.27Å
114	G	93.5	Very high	93.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	-170.8	-175.6	0	0	0	0	0	114.8	P97 D116 F117 I145	P97-G114 WeakPolarHBondContact O-CA 3.27Å; G114-D116 PolarHBondContact O-N 3.16Å; G114-F117 PolarHBondContact O-N 3.09Å; G114-I145 PolarHBondContact O-N 3.13Å
115	F	93.9	Very high	93.2	Very high	59 Å²	59	20.8 Å²	20.8	26%	0.259	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-2.7	171.3	-82.9	-106.4	0	0	0	113.3	K96 P97 T99 F117 F349	K96-F115 HydrophobicContact CB-CB 4.22Å; K96-F115 HydrophobicContact CD-CB 4.35Å; K96-F115 WeakPolarHBondContact CD-O 3.4Å; K96-F115 PolarHBondContact NZ-O 2.94Å; P97-F115 HydrophobicContact CB-CD2 3.88Å; P97-F115 HydrophobicContact CB-CE2 4.27Å; P97-F115 HydrophobicContact CG-CD2 4.48Å; P97-F115 WeakPolarHBondContact O-CD2 3.41Å; P97-F115 PolarHBondContact O-N 3.33Å; T99-F115 HydrophobicContact CG2-CD2 3.33Å; T99-F115 HydrophobicContact CG2-CE2 3.07Å; T99-F115 HydrophobicContact CG2-CZ 4.15Å; F115-F117 VanDerWaalsContact C-N 3.28Å; F115-F349 HydrophobicContact CE2-CD1 4.46Å
116	D	92.3	Very high	92.7	Very high	20 Å²	20	21.9 Å²	21.9	11%	0.107	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	1.7	173.3	57.9	-5.1	0	0	0	113.8	H93 K96 G114 D118	H93-D116 IonicContact CD2-OD1 3.66Å; H93-D116 IonicContact CD2-OD2 3.08Å; H93-D116 PolarHBondContact CD2-OD2 3.42Å; H93-D116 VanDerWaalsContact NE2-CG 3.34Å; H93-D116 IonicContact NE2-OD1 3.5Å; H93-D116 PolarHBondContact NE2-OD1 2.83Å; H93-D116 IonicContact NE2-OD2 3.84Å; H93-D116 PolarHBondContact NE2-OD2 3.23Å; K96-D116 HydrophobicContact CB-CB 4.25Å; K96-D116 HydrophobicContact CD-CB 3.9Å; K96-D116 HydrophobicContact CG-CB 4.32Å; G114-D116 PolarHBondContact O-N 3.16Å; D116-D118 PolarHBondContact O-N 2.99Å; D116-D118 VanDerWaalsContact O-N 3.08Å; D116-D118 PolarHBondContact OD1-N 3.49Å
117	F	94	Very high	92.4	Very high	61 Å²	61	19.9 Å²	19.9	27%	0.268	12%	0.121	S	C	.	.	S	Bend	trans	68.7	-4.7	-178.7	-38	-49.6	0	0	0	113.6	G114 F115 H143 Q144	G114-F117 PolarHBondContact O-N 3.09Å; F115-F117 VanDerWaalsContact C-N 3.28Å; F117-H143 WeakPolarHBondContact CD1-O 3.3Å; F117-Q144 HydrophobicContact CD1-CB 4.39Å; F117-Q144 VanDerWaalsContact CD1-N 3.34Å; F117-Q144 HydrophobicContact CE1-CB 4.3Å
118	D	93.8	Very high	92.1	Very high	27 Å²	27	20.4 Å²	20.4	14%	0.144	12%	0.124	C	C	.	.			trans	-86.8	136.1	-178.4	-74.5	-44.3	0	0	0	110.1	H93 D116 R138	H93-D118 PolarHBondContact CE1-O 3.37Å; H93-D118 VanDerWaalsContact CE1-O 3.29Å; H93-D118 PolarHBondContact NE2-O 2.93Å; D116-D118 PolarHBondContact O-N 2.99Å; D116-D118 VanDerWaalsContact O-N 3.08Å; D116-D118 PolarHBondContact OD1-N 3.49Å; D118-R138 WeakPolarHBondContact OD1-CD 3.07Å; D118-R138 WeakPolarHBondContact OD1-CG 3.41Å; D118-R138 IonicContact OD1-CZ 2.94Å; D118-R138 IonicContact OD1-NE 3.58Å; D118-R138 PolarHBondContact OD1-NE 3.1Å; D118-R138 IonicContact OD1-NH2 3.19Å; D118-R138 PolarHBondContact OD1-NH2 3.34Å; D118-R138 IonicContact OD2-CZ 2.69Å; D118-R138 IonicContact OD2-NE 3.3Å; D118-R138 PolarHBondContact OD2-NE 3.24Å; D118-R138 IonicContact OD2-NH2 2.73Å; D118-R138 PolarHBondContact OD2-NH2 2.67Å
119	V	95.5	Very high	91.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.5	163.5	179	0	0	0	0	107.6	T112 L121 A136 F137 P139 I145 L148 L157 V159	T112-V119 CarbonylContact O-C 3.59Å; T112-V119 WeakPolarHBondContact O-CA 3.1Å; V119-L121 HydrophobicContact CG1-CD2 4.29Å; V119-A136 WeakPolarHBondContact O-CA 3.23Å; V119-F137 HydrophobicContact CB-CE1 4.23Å; V119-F137 HydrophobicContact CB-CE2 4.05Å; V119-F137 HydrophobicContact CB-CZ 3.87Å; V119-F137 HydrophobicContact CG1-CE1 4.05Å; V119-F137 HydrophobicContact CG1-CE2 4.39Å; V119-F137 HydrophobicContact CG1-CZ 3.74Å; V119-F137 PolarHBondContact N-O 2.7Å; V119-F137 PolarHBondContact O-N 3.18Å; V119-P139 HydrophobicContact CG2-CG 3.87Å; V119-I145 HydrophobicContact CG2-CD1 3.9Å; V119-I145 HydrophobicContact CG2-CG1 3.87Å; V119-L148 HydrophobicContact CG1-CD1 4.4Å; V119-L148 HydrophobicContact CG1-CD2 4.48Å; V119-L148 HydrophobicContact CG2-CD2 4.34Å; V119-L157 HydrophobicContact CG1-CD2 4.36Å; V119-V159 HydrophobicContact CG2-CG1 4.03Å
120	K	95.2	Very high	91.1	Very high	41 Å²	41	24.4 Å²	24.4	18%	0.178	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.1	175.5	-65.4	-172.3	-178.1	-166	0	110.1	H93 A111 T112 W122 P133 K135 A136	H93-K120 HydrophobicContact CB-CD 4.41Å; H93-K120 VanDerWaalsContact CE1-CG 3.49Å; H93-K120 WeakPolarHBondContact CE1-CG 3.04Å; H93-K120 WeakPolarHBondContact ND1-CD 3.39Å; H93-K120 WeakPolarHBondContact ND1-CG 3.48Å; H93-K120 VanDerWaalsContact O-CE 3.25Å; H93-K120 WeakPolarHBondContact O-CE 3.49Å; H93-K120 PolarHBondContact O-NZ 2.97Å; A111-K120 CarbonylContact C-O 3.59Å; A111-K120 WeakPolarHBondContact CA-O 3.46Å; T112-K120 PolarHBondContact N-O 2.95Å; T112-K120 PolarHBondContact O-N 3.29Å; K120-W122 HydrophobicContact CB-CZ2 4.08Å; K120-W122 HydrophobicContact CD-CZ2 4.24Å; K120-W122 PolarHBondContact O-NE1 2.82Å; K120-P133 HydrophobicContact CB-CB 4.08Å; K120-P133 HydrophobicContact CD-CB 4.24Å; K120-P133 HydrophobicContact CD-CG 4.12Å; K120-P133 HydrophobicContact CG-CB 4.48Å; K120-K135 WeakPolarHBondContact CA-O 3.37Å; K120-A136 HydrophobicContact CG-CB 3.88Å
121	L	95.2	Very high	90.6	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.3	177.9	-55.8	-179.9	0	0	0	110	A111 V119 P133 F134 K135 F137 L157	A111-L121 HydrophobicContact CB-CD2 3.62Å; V119-L121 HydrophobicContact CG1-CD2 4.29Å; L121-P133 CarbonylContact O-C 3.58Å; L121-P133 WeakPolarHBondContact O-CA 3.47Å; L121-F134 HydrophobicContact CB-CD1 3.96Å; L121-F134 HydrophobicContact CB-CE1 3.25Å; L121-F134 HydrophobicContact CB-CE2 4.27Å; L121-F134 HydrophobicContact CB-CZ 3.43Å; L121-F134 VanDerWaalsContact CB-CZ 3.43Å; L121-F134 HydrophobicContact CD1-CE1 4.38Å; L121-F134 HydrophobicContact CD1-CE2 4.3Å; L121-F134 HydrophobicContact CD1-CZ 3.7Å; L121-F134 HydrophobicContact CG-CE1 4.45Å; L121-F134 HydrophobicContact CG-CZ 4.23Å; L121-F134 VanDerWaalsContact O-CD1 3.23Å; L121-F134 WeakPolarHBondContact O-CD1 3.4Å; L121-F134 PolarHBondContact O-N 3.1Å; L121-K135 PolarHBondContact N-O 2.87Å; L121-F137 HydrophobicContact CD1-CE1 3.84Å; L121-F137 HydrophobicContact CD2-CE1 4.32Å; L121-F137 HydrophobicContact CG-CE1 3.9Å; L121-L157 HydrophobicContact CD2-CD2 3.9Å
122	W	94.3	Very high	90.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.9	-176.5	-46.7	89.1	0	0	0	108.3	L91 S92 H93 R109 V110 T112 K120 M127 C131 P133	L91-W122 HydrophobicContact CB-CD2 4.26Å; L91-W122 HydrophobicContact CB-CE3 4.26Å; L91-W122 HydrophobicContact CB-CH2 4.11Å; L91-W122 HydrophobicContact CB-CZ2 4.12Å; L91-W122 HydrophobicContact CB-CZ3 4.17Å; L91-W122 HydrophobicContact CD1-CB 4.41Å; L91-W122 HydrophobicContact CD1-CD2 4.06Å; L91-W122 HydrophobicContact CD1-CG 4Å; L91-W122 HydrophobicContact CD2-CD2 4.46Å; L91-W122 HydrophobicContact CD2-CE3 4.08Å; L91-W122 HydrophobicContact CD2-CZ3 4.46Å; L91-W122 HydrophobicContact CG-CD2 4.5Å; S92-W122 WeakPolarHBondContact O-CH2 3.26Å; H93-W122 HydrophobicContact CB-CZ2 4.38Å; R109-W122 VanDerWaalsContact CA-O 3.25Å; R109-W122 WeakPolarHBondContact CA-O 3.22Å; V110-W122 HydrophobicContact CB-CB 4.19Å; V110-W122 PolarHBondContact N-O 3.09Å; V110-W122 VanDerWaalsContact O-CD1 3.31Å; V110-W122 PolarHBondContact O-N 3.15Å; T112-W122 PolarHBondContact OG1-NE1 3.41Å; K120-W122 HydrophobicContact CB-CZ2 4.08Å; K120-W122 HydrophobicContact CD-CZ2 4.24Å; K120-W122 PolarHBondContact O-NE1 2.82Å; W122-M127 HydrophobicContact CB-CE 3.89Å; W122-M127 HydrophobicContact CB-SD 4.03Å; W122-M127 HydrophobicContact CE3-SD 3.85Å; W122-C131 VanDerWaalsContact CZ3-O 3.28Å; W122-C131 WeakPolarHBondContact CZ3-O 3.28Å; W122-P133 HydrophobicContact CD2-CB 4.23Å; W122-P133 HydrophobicContact CE3-CB 3.97Å; W122-P133 HydrophobicContact CH2-CB 3.94Å; W122-P133 HydrophobicContact CH2-CG 4.07Å; W122-P133 HydrophobicContact CZ2-CB 4.19Å; W122-P133 HydrophobicContact CZ3-CB 3.83Å; W122-P133 HydrophobicContact CZ3-CG 4.1Å
123	D	92.6	Very high	89.9	Confident	39 Å²	39	30.5 Å²	30.5	21%	0.209	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	112.3	178.7	171.1	27.5	0	0	0	109.8	R109 G125 G126 M127 F134	R109-D123 HydrophobicContact CG-CB 4.36Å; D123-G125 PolarHBondContact O-N 3.15Å; D123-G125 PolarHBondContact OD1-N 3.41Å; D123-G125 VanDerWaalsContact OD1-N 3.08Å; D123-G126 PolarHBondContact O-N 3.38Å; D123-G126 PolarHBondContact OD2-N 3.18Å; D123-G126 VanDerWaalsContact OD2-N 3.13Å; D123-M127 VanDerWaalsContact O-CB 3.23Å; D123-M127 WeakPolarHBondContact O-CB 3.32Å; D123-M127 WeakPolarHBondContact O-CE 3.28Å; D123-M127 WeakPolarHBondContact O-CG 3.46Å; D123-M127 PolarHBondContact O-N 2.91Å; D123-F134 HydrophobicContact CB-CD1 3.84Å; D123-F134 HydrophobicContact CB-CE1 4.12Å
124	F	90.4	Very high	89.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.1	-176.6	-65.6	-56.1	0	0	0	113.3	L89 A108 V110 M127 F413 V423 G433 M436 C437	L89-F124 HydrophobicContact CD2-CD1 4.33Å; L89-F124 HydrophobicContact CD2-CE1 3.87Å; A108-F124 PolarHBondContact O-N 3.34Å; V110-F124 HydrophobicContact CG2-CD2 4.37Å; V110-F124 HydrophobicContact CG2-CE2 3.34Å; V110-F124 HydrophobicContact CG2-CZ 3.54Å; F124-M127 HydrophobicContact CD1-CE 3.43Å; F124-M127 VanDerWaalsContact CD1-CE 3.43Å; F124-M127 HydrophobicContact CE1-CE 3.76Å; F124-M127 HydrophobicContact CG-CE 4.23Å; F124-F413 AromaticContact CE2-CE1 3.91Å; F124-F413 HydrophobicContact CE2-CE1 3.91Å; F124-F413 HydrophobicContact CE2-CZ 4.15Å; F124-F413 AromaticContact CZ-CE1 3.8Å; F124-F413 HydrophobicContact CZ-CE1 3.8Å; F124-F413 HydrophobicContact CZ-CZ 4.42Å; F124-V423 HydrophobicContact CZ-CG2 4.22Å; F124-G433 WeakPolarHBondContact CB-O 3.3Å; F124-M436 HydrophobicContact CB-CE 3.55Å; F124-C437 WeakPolarHBondContact CA-SG 3.42Å; F124-C437 PolarHBondContact O-SG 3.29Å
125	G	86.8	Confident	89.5	Confident	37 Å²	37	38 Å²	38	38%	0.381	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-32.3	178	0	0	0	0	0	112.9	D123 R440	D123-G125 PolarHBondContact O-N 3.15Å; D123-G125 PolarHBondContact OD1-N 3.41Å; D123-G125 VanDerWaalsContact OD1-N 3.08Å; G125-R440 PolarHBondContact O-NH1 3.08Å
126	G	82.5	Confident	89.5	Confident	56 Å²	56	37.9 Å²	37.9	58%	0.577	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-21.1	179.6	0	0	0	0	0	115.1	D123	D123-G126 PolarHBondContact O-N 3.38Å; D123-G126 PolarHBondContact OD2-N 3.18Å; D123-G126 VanDerWaalsContact OD2-N 3.13Å
127	M	85.4	Confident	89.5	Confident	10 Å²	10	38.6 Å²	38.6	5%	0.049	23%	0.226	C	C	.	.			trans	-79.3	152.9	-177.6	-75.3	-175.9	-49.3	0	0	112.9	L91 W122 D123 F124 R132 C437	L91-M127 HydrophobicContact CD2-CE 4.49Å; W122-M127 HydrophobicContact CB-CE 3.89Å; W122-M127 HydrophobicContact CB-SD 4.03Å; W122-M127 HydrophobicContact CE3-SD 3.85Å; D123-M127 VanDerWaalsContact O-CB 3.23Å; D123-M127 WeakPolarHBondContact O-CB 3.32Å; D123-M127 WeakPolarHBondContact O-CE 3.28Å; D123-M127 WeakPolarHBondContact O-CG 3.46Å; D123-M127 PolarHBondContact O-N 2.91Å; F124-M127 HydrophobicContact CD1-CE 3.43Å; F124-M127 VanDerWaalsContact CD1-CE 3.43Å; F124-M127 HydrophobicContact CE1-CE 3.76Å; F124-M127 HydrophobicContact CG-CE 4.23Å; M127-R132 WeakPolarHBondContact CG-O 3.47Å; M127-C437 WeakPolarHBondContact CB-SG 3.49Å
128	D	82.8	Confident	89.5	Confident	12 Å²	12	42.5 Å²	42.5	6%	0.064	24%	0.239	C	C	.	.			trans	-103.9	-177.3	165.5	59.8	6.3	0	0	0	110.1	A130 C131 A442 S446	D128-A130 PolarHBondContact O-N 3.17Å; D128-A130 VanDerWaalsContact OD1-CB 3.26Å; D128-A130 WeakPolarHBondContact OD1-CB 2.93Å; D128-A130 PolarHBondContact OD1-N 3.21Å; D128-A130 VanDerWaalsContact OD1-N 3.1Å; D128-C131 PolarHBondContact O-N 3.29Å; D128-A442 VanDerWaalsContact OD2-CA 3.28Å; D128-A442 WeakPolarHBondContact OD2-CA 3.02Å; D128-A442 VanDerWaalsContact OD2-CB 3.32Å; D128-A442 WeakPolarHBondContact OD2-CB 3.14Å; D128-S446 WeakPolarHBondContact OD2-CB 3.42Å; D128-S446 PolarHBondContact OD2-OG 3.29Å
129	N	81.4	Confident	89.2	Confident	98 Å²	98	42.4 Å²	42.4	52%	0.524	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-5.5	176.6	-162.8	15.2	0	0	0	114.1	C131 R440	N129-C131 VanDerWaalsContact C-N 3.25Å; N129-R440 PolarHBondContact N-O 3.01Å
130	A	80.3	Confident	88.7	Confident	48 Å²	48	43.5 Å²	43.5	40%	0.397	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-7.9	171.8	0	0	0	0	0	112.7	D128 R132	D128-A130 PolarHBondContact O-N 3.17Å; D128-A130 VanDerWaalsContact OD1-CB 3.26Å; D128-A130 WeakPolarHBondContact OD1-CB 2.93Å; D128-A130 PolarHBondContact OD1-N 3.21Å; D128-A130 VanDerWaalsContact OD1-N 3.1Å; A130-R132 PolarHBondContact O-N 3.11Å
131	C	84.3	Confident	88	Confident	5 Å²	5	49 Å²	49	3%	0.034	27%	0.273	C	S	.	.			trans	43.3	67	174	-65.8	0	0	0	0	112.7	L89 L91 W122 D128 N129	L89-C131 WeakPolarHBondContact CD1-SG 3.44Å; L91-C131 HydrophobicContact CD2-CB 3.76Å; W122-C131 VanDerWaalsContact CZ3-O 3.28Å; W122-C131 WeakPolarHBondContact CZ3-O 3.28Å; D128-C131 PolarHBondContact O-N 3.29Å; N129-C131 VanDerWaalsContact C-N 3.25Å
132	R	87	Confident	87.5	Confident	80 Å²	80	56.1 Å²	56.1	30%	0.302	31%	0.307	S	S	.	.			trans	-99.4	141.2	177	-64	-167.5	-168.5	-176.8	16.2	111.5	M127 A130 R449 H450	M127-R132 WeakPolarHBondContact CG-O 3.47Å; A130-R132 PolarHBondContact O-N 3.11Å; R132-R449 PolarHBondContact NH1-O 3.15Å; R132-H450 PolarHBondContact NH2-ND1 2.98Å
133	P	91.2	Very high	87.4	Confident	44 Å²	44	59.2 Å²	59.2	29%	0.286	32%	0.321	S	S	.	.			trans	-66.2	138.8	174.2	31.1	-34.7	0	0	0	108.9	K120 L121 W122	K120-P133 HydrophobicContact CB-CB 4.08Å; K120-P133 HydrophobicContact CD-CB 4.24Å; K120-P133 HydrophobicContact CD-CG 4.12Å; K120-P133 HydrophobicContact CG-CB 4.48Å; L121-P133 CarbonylContact O-C 3.58Å; L121-P133 WeakPolarHBondContact O-CA 3.47Å; W122-P133 HydrophobicContact CD2-CB 4.23Å; W122-P133 HydrophobicContact CE3-CB 3.97Å; W122-P133 HydrophobicContact CH2-CB 3.94Å; W122-P133 HydrophobicContact CH2-CG 4.07Å; W122-P133 HydrophobicContact CZ2-CB 4.19Å; W122-P133 HydrophobicContact CZ3-CB 3.83Å; W122-P133 HydrophobicContact CZ3-CG 4.1Å
134	F	89.3	Confident	87.5	Confident	90 Å²	90	60 Å²	60	40%	0.395	32%	0.324	S	S	.	.	S	Bend	trans	-82.3	-27.6	177.7	78.4	-96.2	0	0	0	111.7	L121 D123	L121-F134 HydrophobicContact CB-CD1 3.96Å; L121-F134 HydrophobicContact CB-CE1 3.25Å; L121-F134 HydrophobicContact CB-CE2 4.27Å; L121-F134 HydrophobicContact CB-CZ 3.43Å; L121-F134 VanDerWaalsContact CB-CZ 3.43Å; L121-F134 HydrophobicContact CD1-CE1 4.38Å; L121-F134 HydrophobicContact CD1-CE2 4.3Å; L121-F134 HydrophobicContact CD1-CZ 3.7Å; L121-F134 HydrophobicContact CG-CE1 4.45Å; L121-F134 HydrophobicContact CG-CZ 4.23Å; L121-F134 VanDerWaalsContact O-CD1 3.23Å; L121-F134 WeakPolarHBondContact O-CD1 3.4Å; L121-F134 PolarHBondContact O-N 3.1Å; D123-F134 HydrophobicContact CB-CD1 3.84Å; D123-F134 HydrophobicContact CB-CE1 4.12Å
135	K	92	Very high	87.8	Confident	66 Å²	66	60 Å²	60	29%	0.287	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	144.3	175.4	-166.4	171.5	178.2	170.7	0	110.6	K120 L121 F137 D172 G173	K120-K135 WeakPolarHBondContact CA-O 3.37Å; L121-K135 PolarHBondContact N-O 2.87Å; K135-F137 HydrophobicContact CG-CD1 4.38Å; K135-D172 WeakPolarHBondContact CD-O 3.28Å; K135-D172 VanDerWaalsContact CE-O 3.28Å; K135-D172 WeakPolarHBondContact CE-O 3.49Å; K135-D172 PolarHBondContact NZ-O 2.56Å; K135-G173 WeakPolarHBondContact CE-O 3.49Å; K135-G173 PolarHBondContact NZ-O 3.15Å
136	A	92.9	Very high	88.2	Confident	58 Å²	58	59.3 Å²	59.3	48%	0.479	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.2	171.1	0	0	0	0	0	107.9	V119 K120	V119-A136 WeakPolarHBondContact O-CA 3.23Å; K120-A136 HydrophobicContact CG-CB 3.88Å
137	F	93.1	Very high	88.9	Confident	34 Å²	34	57.3 Å²	57.3	15%	0.149	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	158.6	179.1	63	-86.8	0	0	0	110.8	V119 L121 K135 P139 V169	V119-F137 HydrophobicContact CB-CE1 4.23Å; V119-F137 HydrophobicContact CB-CE2 4.05Å; V119-F137 HydrophobicContact CB-CZ 3.87Å; V119-F137 HydrophobicContact CG1-CE1 4.05Å; V119-F137 HydrophobicContact CG1-CE2 4.39Å; V119-F137 HydrophobicContact CG1-CZ 3.74Å; V119-F137 PolarHBondContact N-O 2.7Å; V119-F137 PolarHBondContact O-N 3.18Å; L121-F137 HydrophobicContact CD1-CE1 3.84Å; L121-F137 HydrophobicContact CD2-CE1 4.32Å; L121-F137 HydrophobicContact CG-CE1 3.9Å; K135-F137 HydrophobicContact CG-CD1 4.38Å; F137-P139 HydrophobicContact CD2-CB 4.35Å; F137-P139 HydrophobicContact CD2-CG 4.34Å; F137-P139 HydrophobicContact CE2-CB 4.13Å; F137-P139 HydrophobicContact CE2-CG 4.04Å; F137-P139 WeakPolarHBondContact O-CD 3.36Å; F137-V169 HydrophobicContact CE1-CG1 4.44Å; F137-V169 HydrophobicContact CE2-CG1 4.04Å; F137-V169 HydrophobicContact CE2-CG2 3.99Å; F137-V169 HydrophobicContact CZ-CB 4.35Å; F137-V169 HydrophobicContact CZ-CG1 3.75Å; F137-V169 HydrophobicContact CZ-CG2 4.26Å
138	R	93	Very high	89.4	Confident	144 Å²	144	57 Å²	57	54%	0.543	28%	0.284	S	S	.	.			trans	-109.1	100.7	175.1	-67.9	-176	-178.8	152.7	6.1	108.9	D118 C140	D118-R138 WeakPolarHBondContact OD1-CD 3.07Å; D118-R138 WeakPolarHBondContact OD1-CG 3.41Å; D118-R138 IonicContact OD1-CZ 2.94Å; D118-R138 IonicContact OD1-NE 3.58Å; D118-R138 PolarHBondContact OD1-NE 3.1Å; D118-R138 IonicContact OD1-NH2 3.19Å; D118-R138 PolarHBondContact OD1-NH2 3.34Å; D118-R138 IonicContact OD2-CZ 2.69Å; D118-R138 IonicContact OD2-NE 3.3Å; D118-R138 PolarHBondContact OD2-NE 3.24Å; D118-R138 IonicContact OD2-NH2 2.73Å; D118-R138 PolarHBondContact OD2-NH2 2.67Å; R138-C140 PolarHBondContact O-N 2.96Å
139	P	87.7	Confident	90	Very high	25 Å²	25	58.2 Å²	58.2	16%	0.162	29%	0.291	C	S	.	.	S	Bend	trans	-67.4	-28.9	178.4	21.9	-25.5	0	0	0	111.7	V119 F137 I145 V159 F167	V119-P139 HydrophobicContact CG2-CG 3.87Å; F137-P139 HydrophobicContact CD2-CB 4.35Å; F137-P139 HydrophobicContact CD2-CG 4.34Å; F137-P139 HydrophobicContact CE2-CB 4.13Å; F137-P139 HydrophobicContact CE2-CG 4.04Å; F137-P139 WeakPolarHBondContact O-CD 3.36Å; P139-I145 HydrophobicContact CG-CD1 4.1Å; P139-V159 HydrophobicContact CG-CB 4.45Å; P139-V159 HydrophobicContact CG-CG1 3.76Å; P139-F167 HydrophobicContact CB-CB 4.24Å; P139-F167 HydrophobicContact CB-CG 4.2Å; P139-F167 WeakPolarHBondContact O-CE1 3.39Å
140	C	86.2	Confident	90.7	Very high	22 Å²	22	54 Å²	54	15%	0.149	27%	0.268	C	S	.	.	S	Bend	trans	-141.2	116	175.2	-169.3	0	0	0	0	109	R138 E142 H143 F167	R138-C140 PolarHBondContact O-N 2.96Å; C140-E142 PolarHBondContact O-N 3.28Å; C140-E142 VanDerWaalsContact O-N 3.11Å; C140-H143 HydrophobicContact CB-CB 4.41Å; C140-H143 PolarHBondContact SG-ND1 2.69Å; C140-F167 HydrophobicContact CB-CE2 3.85Å; C140-F167 HydrophobicContact CB-CZ 4.16Å
141	E	79.3	Confident	91.5	Very high	156 Å²	156	51.8 Å²	51.8	73%	0.729	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.3	-167.6	-64.2	-171.7	153.9	0	0	114.8
142	E	85.2	Confident	91.9	Very high	155 Å²	155	53.7 Å²	53.7	72%	0.724	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	-0.6	-168.3	-59.7	-176.5	162.4	0	0	114.4	C140	C140-E142 PolarHBondContact O-N 3.28Å; C140-E142 VanDerWaalsContact O-N 3.11Å
143	H	93.2	Very high	92.2	Very high	64 Å²	64	52.4 Å²	52.4	30%	0.296	27%	0.265	S	S	.	.	S	Bend	trans	-121.1	128.9	-170.9	-67.2	86	0	0	0	112.1	F117 C140 G162 S163	F117-H143 WeakPolarHBondContact CD1-O 3.3Å; C140-H143 HydrophobicContact CB-CB 4.41Å; C140-H143 PolarHBondContact SG-ND1 2.69Å; H143-G162 PolarHBondContact CD2-O 2.81Å; H143-S163 PolarHBondContact CD2-N 2.94Å
144	Q	94.4	Very high	92.3	Very high	57 Å²	57	50.5 Å²	50.5	27%	0.266	25%	0.253	S	S	.	.			trans	-57.6	140.1	173.4	67.6	-177.2	44.8	0	0	110.8	F117 K146 S161 G162	F117-Q144 HydrophobicContact CD1-CB 4.39Å; F117-Q144 VanDerWaalsContact CD1-N 3.34Å; F117-Q144 HydrophobicContact CE1-CB 4.3Å; Q144-K146 HydrophobicContact CG-CG 4.38Å; Q144-S161 CarbonylContact O-C 3.55Å; Q144-S161 VanDerWaalsContact O-CA 3.23Å; Q144-S161 WeakPolarHBondContact O-CA 3.49Å; Q144-G162 PolarHBondContact O-N 3.06Å
145	I	96.2	Very high	92.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	134.5	171.6	-49.9	-54.2	0	0	0	107.1	T99 A100 G114 V119 P139 L148 V159	T99-I145 WeakPolarHBondContact CB-O 3.24Å; T99-I145 PolarHBondContact OG1-O 2.71Å; A100-I145 HydrophobicContact CB-CG2 4.27Å; G114-I145 PolarHBondContact O-N 3.13Å; V119-I145 HydrophobicContact CG2-CD1 3.9Å; V119-I145 HydrophobicContact CG2-CG1 3.87Å; P139-I145 HydrophobicContact CG-CD1 4.1Å; I145-L148 HydrophobicContact CG2-CD1 4.45Å; I145-L148 HydrophobicContact CG2-CD2 3.93Å; I145-L148 HydrophobicContact CG2-CG 3.96Å; I145-V159 HydrophobicContact CD1-CG1 3.87Å; I145-V159 HydrophobicContact CG2-CG1 4.2Å
146	K	95.3	Very high	92.5	Very high	22 Å²	22	50.2 Å²	50.2	10%	0.096	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-40.2	-178.6	-70.8	-176.3	177.9	177.8	0	112.1	Q144 I160 L199 Q351	Q144-K146 HydrophobicContact CG-CG 4.38Å; K146-I160 HydrophobicContact CB-CG2 4.47Å; K146-I160 PolarHBondContact N-O 2.98Å; K146-L199 WeakPolarHBondContact CD-O 3.43Å; K146-L199 WeakPolarHBondContact CE-O 3.43Å; K146-L199 PolarHBondContact NZ-O 3.29Å; K146-Q351 VanDerWaalsContact O-CG 3.29Å; K146-Q351 WeakPolarHBondContact O-CG 3.31Å
147	H	96.3	Very high	92.7	Very high	14 Å²	14	47.5 Å²	47.5	7%	0.065	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	150.8	179.4	-169.2	-104.9	0	0	0	110.6	I160 W201 G202 E353	H147-I160 HydrophobicContact CB-CB 4.15Å; H147-I160 HydrophobicContact CB-CG1 4.45Å; H147-I160 PolarHBondContact N-O 3.39Å; H147-I160 PolarHBondContact O-N 2.87Å; H147-W201 HydrophobicContact CB-CD2 4.19Å; H147-W201 HydrophobicContact CB-CE3 4.25Å; H147-W201 AromaticContact CD2-CD2 3.84Å; H147-W201 AromaticContact CD2-CE2 3.24Å; H147-W201 AromaticContact CD2-CH2 3.38Å; H147-W201 WeakPolarHBondContact CD2-CH2 3.38Å; H147-W201 AromaticContact CD2-CZ2 3.02Å; H147-W201 WeakPolarHBondContact CD2-CZ2 3.23Å; H147-W201 AromaticContact CD2-CZ3 3.93Å; H147-W201 AromaticContact CD2-NE1 3.75Å; H147-W201 AromaticContact CE1-CE2 3.85Å; H147-W201 AromaticContact CE1-NE1 3.53Å; H147-W201 AromaticContact CG-CD2 3.9Å; H147-W201 AromaticContact CG-CE2 3.68Å; H147-W201 AromaticContact CG-CZ2 3.92Å; H147-W201 AromaticContact CG-NE1 3.93Å; H147-W201 AromaticContact ND1-NE1 3.81Å; H147-W201 AromaticContact NE2-CE2 3.35Å; H147-W201 VanDerWaalsContact NE2-CE2 3.35Å; H147-W201 AromaticContact NE2-CH2 3.96Å; H147-W201 AromaticContact NE2-CZ2 3.15Å; H147-W201 WeakPolarHBondContact NE2-CZ2 3.25Å; H147-W201 AromaticContact NE2-NE1 3.46Å; H147-W201 PolarHBondContact NE2-NE1 3.35Å; H147-G202 PolarHBondContact CE1-O 3.42Å; H147-G202 VanDerWaalsContact CE1-O 3.29Å; H147-G202 PolarHBondContact ND1-O 2.98Å; H147-E353 IonicContact CD2-OE1 2.9Å; H147-E353 IonicContact NE2-OE1 3.13Å
148	L	96.4	Very high	92.8	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130	179.1	-70.6	177.1	0	0	0	108.1	A100 A111 T112 V119 I145 L157 L158 V159	A100-L148 HydrophobicContact CB-CB 4.13Å; A100-L148 HydrophobicContact CB-CD1 4.13Å; A100-L148 HydrophobicContact CB-CG 3.8Å; A111-L148 HydrophobicContact CB-CD1 4.06Å; T112-L148 VanDerWaalsContact C-CD1 3.49Å; V119-L148 HydrophobicContact CG1-CD1 4.4Å; V119-L148 HydrophobicContact CG1-CD2 4.48Å; V119-L148 HydrophobicContact CG2-CD2 4.34Å; I145-L148 HydrophobicContact CG2-CD1 4.45Å; I145-L148 HydrophobicContact CG2-CD2 3.93Å; I145-L148 HydrophobicContact CG2-CG 3.96Å; L148-L157 HydrophobicContact CB-CD1 4.41Å; L148-L158 WeakPolarHBondContact CA-O 3.37Å; L148-V159 HydrophobicContact CD2-CB 3.98Å; L148-V159 HydrophobicContact CD2-CG1 3.76Å; L148-V159 HydrophobicContact CD2-CG2 3.69Å
149	D	96.3	Very high	93	Very high	39 Å²	39	39 Å²	39	21%	0.209	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	134.1	178.5	-168.6	27.9	0	0	0	111.5	L158 M203 W204	D149-L158 PolarHBondContact N-O 3.4Å; D149-L158 VanDerWaalsContact N-O 3.08Å; D149-L158 PolarHBondContact O-N 2.75Å; D149-M203 VanDerWaalsContact OD2-CA 3.31Å; D149-M203 WeakPolarHBondContact OD2-CA 3.48Å; D149-M203 WeakPolarHBondContact OD2-CG 3.47Å; D149-W204 PolarHBondContact O-NE1 2.83Å; D149-W204 PolarHBondContact OD2-N 3.02Å
150	F	96.1	Very high	93.4	Very high	10 Å²	10	37.9 Å²	37.9	4%	0.044	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	142	176.1	-81.1	-87	0	0	0	110.3	G102 D104 A111 L157 W204	G102-F150 WeakPolarHBondContact O-CE2 3.34Å; D104-F150 HydrophobicContact CB-CD1 4.33Å; D104-F150 HydrophobicContact CB-CE1 4.46Å; D104-F150 HydrophobicContact CB-CG 4.37Å; A111-F150 HydrophobicContact CB-CE2 3.77Å; A111-F150 HydrophobicContact CB-CZ 3.91Å; F150-L157 HydrophobicContact CD1-CB 4.27Å; F150-L157 HydrophobicContact CD1-CD1 4.17Å; F150-L157 HydrophobicContact CD2-CD1 3.85Å; F150-L157 HydrophobicContact CE1-CB 4.1Å; F150-L157 HydrophobicContact CE1-CD1 4.09Å; F150-L157 HydrophobicContact CE2-CD1 3.78Å; F150-L157 HydrophobicContact CG-CD1 4.06Å; F150-L157 HydrophobicContact CZ-CD1 3.91Å; F150-W204 VanDerWaalsContact O-CD1 3.3Å
151	S	95.4	Very high	93.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.			trans	-59.3	152.2	170.2	58.6	0	0	0	0	110.5	P105 S153 G154 E155 H156	P105-S151 VanDerWaalsContact CG-O 3.31Å; P105-S151 WeakPolarHBondContact CG-O 3.01Å; S151-S153 PolarHBondContact O-N 3.35Å; S151-S153 VanDerWaalsContact O-N 3.15Å; S151-S153 PolarHBondContact OG-OG 3.27Å; S151-G154 WeakPolarHBondContact O-CA 3.46Å; S151-G154 PolarHBondContact O-N 3.08Å; S151-G154 PolarHBondContact OG-N 3.41Å; S151-E155 PolarHBondContact OG-N 2.66Å; S151-H156 WeakPolarHBondContact CB-O 3.45Å; S151-H156 PolarHBondContact N-O 3.1Å; S151-H156 PolarHBondContact OG-N 3.02Å; S151-H156 PolarHBondContact OG-O 2.89Å
152	P	93.8	Very high	94.4	Very high	45 Å²	45	30 Å²	30	29%	0.292	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.3	175.5	-23.7	31.3	0	0	0	114.5	G154 H205 P206	P152-G154 VanDerWaalsContact C-N 3.33Å; P152-H205 WeakPolarHBondContact CG-O 3.42Å; P152-P206 WeakPolarHBondContact CG-O 2.99Å
153	S	93.3	Very high	94.9	Very high	54 Å²	54	23.1 Å²	23.1	38%	0.378	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-16.2	173.4	53.6	0	0	0	0	113.2	S151 E155 S209	S151-S153 PolarHBondContact O-N 3.35Å; S151-S153 VanDerWaalsContact O-N 3.15Å; S151-S153 PolarHBondContact OG-OG 3.27Å; S153-E155 PolarHBondContact O-N 3.37Å; S153-E155 PolarHBondContact OG-OE2 2.79Å; S153-S209 WeakPolarHBondContact CB-OG 3.38Å; S153-S209 PolarHBondContact N-OG 3.5Å; S153-S209 WeakPolarHBondContact OG-CB 3.34Å; S153-S209 PolarHBondContact OG-OG 3.22Å
154	G	92.4	Very high	94.9	Very high	3 Å²	3	20.7 Å²	20.7	3%	0.031	12%	0.115	C	C	.	.	S	Bend	trans	76	4	-175.5	0	0	0	0	0	114.3	D104 S151 P152 R171	D104-G154 WeakPolarHBondContact OD1-CA 3.4Å; S151-G154 WeakPolarHBondContact O-CA 3.46Å; S151-G154 PolarHBondContact O-N 3.08Å; S151-G154 PolarHBondContact OG-N 3.41Å; P152-G154 VanDerWaalsContact C-N 3.33Å; G154-R171 WeakPolarHBondContact O-CD 3.42Å; G154-R171 WeakPolarHBondContact O-CG 3.49Å
155	E	92.7	Very high	94.8	Very high	111 Å²	111	20.1 Å²	20.1	52%	0.519	11%	0.113	S	C	.	.	S	Bend	trans	-80.4	-44.4	-178.8	-65.9	170.5	150.5	0	0	111	S151 S153 D170 R171	S151-E155 PolarHBondContact OG-N 2.66Å; S153-E155 PolarHBondContact O-N 3.37Å; S153-E155 PolarHBondContact OG-OE2 2.79Å; E155-D170 CarbonylContact O-C 3.54Å; E155-R171 WeakPolarHBondContact O-CA 3.25Å; E155-R171 WeakPolarHBondContact O-CB 3.42Å; E155-R171 PolarHBondContact O-N 2.94Å
156	H	94.3	Very high	94.7	Very high	40 Å²	40	20.1 Å²	20.1	19%	0.185	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	145.7	-176.4	-57.3	-34.4	0	0	0	112.3	S151 I168 V169 D170 W204	S151-H156 WeakPolarHBondContact CB-O 3.45Å; S151-H156 PolarHBondContact N-O 3.1Å; S151-H156 PolarHBondContact OG-N 3.02Å; S151-H156 PolarHBondContact OG-O 2.89Å; H156-I168 HydrophobicContact CB-CG2 3.96Å; H156-V169 CarbonylContact C-O 3.5Å; H156-D170 IonicContact ND1-OD1 3.38Å; H156-W204 HydrophobicContact CB-CH2 3.81Å; H156-W204 HydrophobicContact CB-CZ2 3.68Å
157	L	95.8	Very high	94.7	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.1	172.6	176.4	67.2	0	0	0	108.9	A111 V119 L121 L148 F150 V159 I168 V169	A111-L157 HydrophobicContact CB-CD1 4.02Å; A111-L157 HydrophobicContact CB-CD2 3.7Å; V119-L157 HydrophobicContact CG1-CD2 4.36Å; L121-L157 HydrophobicContact CD2-CD2 3.9Å; L148-L157 HydrophobicContact CB-CD1 4.41Å; F150-L157 HydrophobicContact CD1-CB 4.27Å; F150-L157 HydrophobicContact CD1-CD1 4.17Å; F150-L157 HydrophobicContact CD2-CD1 3.85Å; F150-L157 HydrophobicContact CE1-CB 4.1Å; F150-L157 HydrophobicContact CE1-CD1 4.09Å; F150-L157 HydrophobicContact CE2-CD1 3.78Å; F150-L157 HydrophobicContact CG-CD1 4.06Å; F150-L157 HydrophobicContact CZ-CD1 3.91Å; L157-V159 HydrophobicContact CD2-CG2 4.12Å; L157-V159 HydrophobicContact CG-CG2 4.11Å; L157-I168 WeakPolarHBondContact O-CA 2.89Å; L157-V169 PolarHBondContact N-O 2.81Å; L157-V169 PolarHBondContact O-N 2.7Å
158	L	96.3	Very high	94.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	121.9	171.2	176.6	64.8	0	0	0	109	L148 D149 I160 A166 I168 W204 L212	L148-L158 WeakPolarHBondContact CA-O 3.37Å; D149-L158 PolarHBondContact N-O 3.4Å; D149-L158 VanDerWaalsContact N-O 3.08Å; D149-L158 PolarHBondContact O-N 2.75Å; L158-I160 HydrophobicContact CD1-CD1 3.9Å; L158-I160 HydrophobicContact CD2-CD1 4.11Å; L158-I160 HydrophobicContact CD2-CG1 4.37Å; L158-I160 HydrophobicContact CG-CD1 3.9Å; L158-I160 HydrophobicContact CG-CG1 4.14Å; L158-A166 HydrophobicContact CD1-CB 3.91Å; L158-I168 HydrophobicContact CD1-CG1 3.96Å; L158-W204 HydrophobicContact CB-CZ2 4.15Å; L158-W204 VanDerWaalsContact CB-NE1 3.26Å; L158-L212 HydrophobicContact CD1-CD1 4.38Å; L158-L212 HydrophobicContact CD1-CD2 4.45Å; L158-L212 HydrophobicContact CD2-CB 4.43Å
159	V	96.6	Very high	94.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	114	175.8	-174.4	0	0	0	0	110.1	V119 P139 I145 L148 L157 F167 V169	V119-V159 HydrophobicContact CG2-CG1 4.03Å; P139-V159 HydrophobicContact CG-CB 4.45Å; P139-V159 HydrophobicContact CG-CG1 3.76Å; I145-V159 HydrophobicContact CD1-CG1 3.87Å; I145-V159 HydrophobicContact CG2-CG1 4.2Å; L148-V159 HydrophobicContact CD2-CB 3.98Å; L148-V159 HydrophobicContact CD2-CG1 3.76Å; L148-V159 HydrophobicContact CD2-CG2 3.69Å; L157-V159 HydrophobicContact CD2-CG2 4.12Å; L157-V159 HydrophobicContact CG-CG2 4.11Å; V159-F167 HydrophobicContact CB-CB 4.25Å; V159-F167 PolarHBondContact N-O 2.88Å; V159-F167 PolarHBondContact O-N 2.76Å; V159-V169 HydrophobicContact CG2-CG2 4.05Å
160	I	96.1	Very high	94.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.4	175.3	-56	-61.9	0	0	0	108.3	K146 H147 L158 A166 L199 T214	K146-I160 HydrophobicContact CB-CG2 4.47Å; K146-I160 PolarHBondContact N-O 2.98Å; H147-I160 HydrophobicContact CB-CB 4.15Å; H147-I160 HydrophobicContact CB-CG1 4.45Å; H147-I160 PolarHBondContact N-O 3.39Å; H147-I160 PolarHBondContact O-N 2.87Å; L158-I160 HydrophobicContact CD1-CD1 3.9Å; L158-I160 HydrophobicContact CD2-CD1 4.11Å; L158-I160 HydrophobicContact CD2-CG1 4.37Å; L158-I160 HydrophobicContact CG-CD1 3.9Å; L158-I160 HydrophobicContact CG-CG1 4.14Å; I160-A166 HydrophobicContact CD1-CB 3.71Å; I160-L199 HydrophobicContact CD1-CD1 3.93Å; I160-L199 HydrophobicContact CG2-CB 3.58Å; I160-L199 HydrophobicContact CG2-CD1 4.26Å; I160-T214 HydrophobicContact CD1-CG2 3.97Å
161	S	94.8	Very high	93.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	177.6	173.4	69.5	0	0	0	0	111	Q144 S163	Q144-S161 CarbonylContact O-C 3.55Å; Q144-S161 VanDerWaalsContact O-CA 3.23Å; Q144-S161 WeakPolarHBondContact O-CA 3.49Å; S161-S163 PolarHBondContact O-N 2.98Å; S161-S163 VanDerWaalsContact O-N 3.1Å; S161-S163 WeakPolarHBondContact OG-CB 3.47Å; S161-S163 PolarHBondContact OG-N 2.88Å; S161-S163 PolarHBondContact OG-OG 2.98Å
162	G	92.1	Very high	93.5	Very high	13 Å²	13	27.4 Å²	27.4	13%	0.134	15%	0.146	C	C	.	.	S	Bend	trans	-63.7	-1.1	166.9	0	0	0	0	0	114.9	H143 Q144 A198	H143-G162 PolarHBondContact CD2-O 2.81Å; Q144-G162 PolarHBondContact O-N 3.06Å; G162-A198 WeakPolarHBondContact O-CA 3.36Å; G162-A198 WeakPolarHBondContact O-CB 3.14Å
163	S	94.4	Very high	93.2	Very high	10 Å²	10	25.7 Å²	25.7	7%	0.07	14%	0.136	C	C	.	.	S	Bend	trans	-77	168.5	176.6	87.2	0	0	0	0	111.4	H143 S161 Q165 L199	H143-S163 PolarHBondContact CD2-N 2.94Å; S161-S163 PolarHBondContact O-N 2.98Å; S161-S163 VanDerWaalsContact O-N 3.1Å; S161-S163 WeakPolarHBondContact OG-CB 3.47Å; S161-S163 PolarHBondContact OG-N 2.88Å; S161-S163 PolarHBondContact OG-OG 2.98Å; S163-Q165 PolarHBondContact OG-N 2.97Å; S163-Q165 PolarHBondContact OG-O 3.31Å; S163-L199 WeakPolarHBondContact O-CG 3.45Å; S163-L199 PolarHBondContact O-N 3.45Å
164	A	93.5	Very high	93.1	Very high	14 Å²	14	29.2 Å²	29.2	12%	0.116	15%	0.147	C	C	.	.	S	Bend	trans	-81.3	-3.7	173.8	0	0	0	0	0	113.3	K181 H195 H197	A164-K181 HydrophobicContact CB-CG 4.49Å; A164-H195 WeakPolarHBondContact O-CB 3.45Å; A164-H197 WeakPolarHBondContact CA-O 3.3Å; A164-H197 WeakPolarHBondContact CB-O 3.13Å
165	Q	93.4	Very high	92.9	Very high	45 Å²	45	33 Å²	33	21%	0.21	18%	0.178	C	C	.	.	S	Bend	trans	-111.9	139.5	-178.9	-60.4	-180	-85.4	0	0	109.2	S163 F167 T179 K181	S163-Q165 PolarHBondContact OG-N 2.97Å; S163-Q165 PolarHBondContact OG-O 3.31Å; Q165-F167 HydrophobicContact CB-CE2 4.41Å; Q165-T179 WeakPolarHBondContact CG-O 3.38Å; Q165-T179 PolarHBondContact NE2-O 3.25Å; Q165-K181 HydrophobicContact CG-CB 3.9Å; Q165-K181 HydrophobicContact CG-CG 4.47Å
166	A	94.5	Very high	92.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134	170.2	0	0	0	0	0	108	L158 I160 Y178 T179 L199 T214	L158-A166 HydrophobicContact CD1-CB 3.91Å; I160-A166 HydrophobicContact CD1-CB 3.71Å; A166-Y178 CarbonylContact O-C 3.58Å; A166-Y178 VanDerWaalsContact O-CA 3.28Å; A166-Y178 WeakPolarHBondContact O-CA 3.44Å; A166-T179 HydrophobicContact CB-CG2 3.85Å; A166-T179 PolarHBondContact N-OG1 3.09Å; A166-T179 PolarHBondContact O-N 3.19Å; A166-L199 HydrophobicContact CB-CD1 3.69Å; A166-T214 HydrophobicContact CB-CG2 3.98Å
167	F	94	Very high	92.4	Very high	36 Å²	36	27.5 Å²	27.5	16%	0.158	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.9	179.3	-68.4	-92.4	0	0	0	108.7	P139 C140 V159 Q165	P139-F167 HydrophobicContact CB-CB 4.24Å; P139-F167 HydrophobicContact CB-CG 4.2Å; P139-F167 WeakPolarHBondContact O-CE1 3.39Å; C140-F167 HydrophobicContact CB-CE2 3.85Å; C140-F167 HydrophobicContact CB-CZ 4.16Å; V159-F167 HydrophobicContact CB-CB 4.25Å; V159-F167 PolarHBondContact N-O 2.88Å; V159-F167 PolarHBondContact O-N 2.76Å; Q165-F167 HydrophobicContact CB-CE2 4.41Å
168	I	94.3	Very high	92.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121.4	175.8	-61.8	134.2	0	0	0	106.7	H156 L157 L158 V176 C177 W204 L212 I226	H156-I168 HydrophobicContact CB-CG2 3.96Å; L157-I168 WeakPolarHBondContact O-CA 2.89Å; L158-I168 HydrophobicContact CD1-CG1 3.96Å; I168-V176 PolarHBondContact O-N 2.74Å; I168-C177 VanDerWaalsContact CB-SG 3.5Å; I168-C177 WeakPolarHBondContact CD1-SG 3.46Å; I168-C177 PolarHBondContact N-O 2.77Å; I168-C177 PolarHBondContact O-N 2.85Å; I168-W204 HydrophobicContact CG2-CH2 4.12Å; I168-W204 HydrophobicContact CG2-CZ2 4.13Å; I168-L212 HydrophobicContact CD1-CD2 3.55Å; I168-L212 HydrophobicContact CG1-CD2 4.07Å; I168-I226 HydrophobicContact CD1-CD1 4.14Å; I168-I226 HydrophobicContact CD1-CG1 4.3Å; I168-I226 HydrophobicContact CG2-CD1 4.18Å
169	V	93.3	Very high	91.9	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.024	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.2	-172.5	-172.7	0	0	0	0	107.3	F137 H156 L157 V159 E174	F137-V169 HydrophobicContact CE1-CG1 4.44Å; F137-V169 HydrophobicContact CE2-CG1 4.04Å; F137-V169 HydrophobicContact CE2-CG2 3.99Å; F137-V169 HydrophobicContact CZ-CB 4.35Å; F137-V169 HydrophobicContact CZ-CG1 3.75Å; F137-V169 HydrophobicContact CZ-CG2 4.26Å; H156-V169 CarbonylContact C-O 3.5Å; L157-V169 PolarHBondContact N-O 2.81Å; L157-V169 PolarHBondContact O-N 2.7Å; V159-V169 HydrophobicContact CG2-CG2 4.05Å; V169-E174 CarbonylContact C-O 3.49Å; V169-E174 VanDerWaalsContact CA-O 3.31Å; V169-E174 WeakPolarHBondContact CA-O 3.43Å; V169-E174 VanDerWaalsContact CG1-O 3.24Å; V169-E174 WeakPolarHBondContact CG1-O 3.4Å
170	D	92.1	Very high	91.5	Very high	48 Å²	48	33.3 Å²	33.3	26%	0.257	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	167.1	174.5	-163.9	29.6	0	0	0	111	E155 H156 D172 G173 E174 V176	E155-D170 CarbonylContact O-C 3.54Å; H156-D170 IonicContact ND1-OD1 3.38Å; D170-D172 PolarHBondContact O-N 2.99Å; D170-G173 PolarHBondContact O-N 3.48Å; D170-E174 PolarHBondContact N-O 3.29Å; D170-V176 HydrophobicContact CB-CG2 3.75Å
171	R	88.2	Confident	91.2	Very high	77 Å²	77	39.2 Å²	39.2	29%	0.291	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-34.2	-179.5	-151.1	-170.2	178.5	-165.1	-2.6	111.9	D104 R109 G154 E155 G173	D104-R171 IonicContact OD2-CZ 2.83Å; D104-R171 VanDerWaalsContact OD2-CZ 3.3Å; D104-R171 IonicContact OD2-NE 3.31Å; D104-R171 PolarHBondContact OD2-NE 2.94Å; D104-R171 IonicContact OD2-NH2 2.92Å; D104-R171 PolarHBondContact OD2-NH2 3.02Å; R109-R171 VanDerWaalsContact CD-NE 3.33Å; R109-R171 VanDerWaalsContact NH1-CG 3.27Å; R109-R171 PolarHBondContact NH1-O 3.31Å; G154-R171 WeakPolarHBondContact O-CD 3.42Å; G154-R171 WeakPolarHBondContact O-CG 3.49Å; E155-R171 WeakPolarHBondContact O-CA 3.25Å; E155-R171 WeakPolarHBondContact O-CB 3.42Å; E155-R171 PolarHBondContact O-N 2.94Å; R171-G173 VanDerWaalsContact C-N 3.34Å
172	D	88.7	Confident	91	Very high	73 Å²	73	39.4 Å²	39.4	39%	0.39	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	6.8	-180	-67.3	-31.4	0	0	0	113.9	R109 K135 D170	R109-D172 IonicContact CZ-OD1 3.55Å; R109-D172 VanDerWaalsContact CZ-OD1 3.31Å; R109-D172 IonicContact NH1-OD1 3Å; R109-D172 PolarHBondContact NH1-OD1 3.21Å; R109-D172 IonicContact NH2-OD1 3.91Å; R109-D172 PolarHBondContact NH2-OD1 3.06Å; K135-D172 WeakPolarHBondContact CD-O 3.28Å; K135-D172 VanDerWaalsContact CE-O 3.28Å; K135-D172 WeakPolarHBondContact CE-O 3.49Å; K135-D172 PolarHBondContact NZ-O 2.56Å; D170-D172 PolarHBondContact O-N 2.99Å
173	G	87.6	Confident	90.9	Very high	9 Å²	9	46.5 Å²	46.5	9%	0.093	23%	0.233	C	C	.	.	S	Bend	trans	82.7	20.7	176.2	0	0	0	0	0	114.6	K135 D170 R171	K135-G173 WeakPolarHBondContact CE-O 3.49Å; K135-G173 PolarHBondContact NZ-O 3.15Å; D170-G173 PolarHBondContact O-N 3.48Å; R171-G173 VanDerWaalsContact C-N 3.34Å
174	E	89.7	Confident	90.7	Very high	129 Å²	129	51.4 Å²	51.4	60%	0.603	26%	0.255	S	S	*	.			trans	-96	138.1	175.1	-61.8	-167.9	163.3	0	0	110.8	V169 D170 V176	V169-E174 CarbonylContact C-O 3.49Å; V169-E174 VanDerWaalsContact CA-O 3.31Å; V169-E174 WeakPolarHBondContact CA-O 3.43Å; V169-E174 VanDerWaalsContact CG1-O 3.24Å; V169-E174 WeakPolarHBondContact CG1-O 3.4Å; D170-E174 PolarHBondContact N-O 3.29Å; E174-V176 PolarHBondContact O-N 2.95Å
175	A	89	Confident	90.5	Very high	81 Å²	81	60.1 Å²	60.1	67%	0.669	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	119.8	-176.6	0	0	0	0	0	110.7
176	V	88	Confident	90.3	Very high	33 Å²	33	60.5 Å²	60.5	20%	0.2	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-52.9	178.3	-178.5	0	0	0	0	110.1	I168 D170 E174	I168-V176 PolarHBondContact O-N 2.74Å; D170-V176 HydrophobicContact CB-CG2 3.75Å; E174-V176 PolarHBondContact O-N 2.95Å
177	C	88.2	Confident	90	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.02	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	160.3	-178.1	53.9	0	0	0	0	112.3	I168 R237	I168-C177 VanDerWaalsContact CB-SG 3.5Å; I168-C177 WeakPolarHBondContact CD1-SG 3.46Å; I168-C177 PolarHBondContact N-O 2.77Å; I168-C177 PolarHBondContact O-N 2.85Å; C177-R237 WeakPolarHBondContact CA-O 3.41Å; C177-R237 HydrophobicContact CB-CB 3.75Å; C177-R237 WeakPolarHBondContact CB-O 3.47Å
178	Y	90.1	Very high	89.7	Confident	71 Å²	71	68.2 Å²	68.2	28%	0.278	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	142.5	172.1	56.3	-95.2	0	0	0	109.2	A166 T236 R237 I238 P239	A166-Y178 CarbonylContact O-C 3.58Å; A166-Y178 VanDerWaalsContact O-CA 3.28Å; A166-Y178 WeakPolarHBondContact O-CA 3.44Å; Y178-T236 HydrophobicContact CE1-CG2 4.15Å; Y178-R237 PolarHBondContact N-O 2.73Å; Y178-I238 HydrophobicContact CE2-CD1 4.17Å; Y178-I238 HydrophobicContact CE2-CG1 4.14Å; Y178-P239 WeakPolarHBondContact O-CD 3.33Å
179	T	90.8	Very high	89.4	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-68.6	151.2	-179	64.1	0	0	0	0	111.4	Q165 A166 W224 P239	Q165-T179 WeakPolarHBondContact CG-O 3.38Å; Q165-T179 PolarHBondContact NE2-O 3.25Å; A166-T179 HydrophobicContact CB-CG2 3.85Å; A166-T179 PolarHBondContact N-OG1 3.09Å; A166-T179 PolarHBondContact O-N 3.19Å; T179-W224 HydrophobicContact CG2-CD2 3.71Å; T179-W224 HydrophobicContact CG2-CE3 3.93Å; T179-W224 HydrophobicContact CG2-CG 4.09Å; T179-W224 HydrophobicContact CG2-CH2 4.32Å; T179-W224 HydrophobicContact CG2-CZ2 4.17Å; T179-W224 HydrophobicContact CG2-CZ3 4.24Å; T179-P239 HydrophobicContact CG2-CG 4.03Å
180	N	89.4	Confident	89.1	Confident	53 Å²	53	70.7 Å²	70.7	28%	0.283	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-64.7	141.9	179.9	-156.8	-13.5	0	0	0	110.8	G194 I238	N180-G194 WeakPolarHBondContact O-CA 3.39Å; N180-I238 HydrophobicContact CB-CG2 3.63Å
181	K	90.1	Very high	89	Confident	123 Å²	123	72.2 Å²	72.2	54%	0.535	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-81.3	127.5	173.5	-172	173.7	179	177.3	0	109.6	A164 Q165	A164-K181 HydrophobicContact CB-CG 4.49Å; Q165-K181 HydrophobicContact CG-CB 3.9Å; Q165-K181 HydrophobicContact CG-CG 4.47Å
182	G	89.3	Confident	89.1	Confident	5 Å²	5	68.5 Å²	68.5	5%	0.052	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-74.4	144.1	173.7	0	0	0	0	0	112.3	Q184 G194 H195	G182-Q184 PolarHBondContact O-N 3.18Å; G182-G194 VanDerWaalsContact CA-O 3.27Å; G182-G194 WeakPolarHBondContact CA-O 3.42Å; G182-H195 WeakPolarHBondContact CA-O 3.42Å; G182-H195 PolarHBondContact N-O 2.99Å
183	Y	90.2	Very high	89.1	Confident	162 Å²	162	71.6 Å²	71.6	64%	0.635	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-70	116.7	170	-66.7	-74.2	0	0	0	110.4	Y185 I186 T196	Y183-Y185 PolarHBondContact O-N 3.36Å; Y183-Y185 VanDerWaalsContact O-N 3.12Å; Y183-I186 HydrophobicContact CD2-CD1 4.16Å; Y183-I186 HydrophobicContact CG-CD1 4.45Å; Y183-I186 PolarHBondContact O-N 3.32Å; Y183-T196 WeakPolarHBondContact O-CG2 3.38Å
184	Q	89.7	Confident	89.3	Confident	113 Å²	113	71.1 Å²	71.1	53%	0.528	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.4	-175.9	66.4	-171.6	-2.7	0	0	115.2	G182	G182-Q184 PolarHBondContact O-N 3.18Å
185	Y	90.7	Very high	89.5	Confident	196 Å²	196	65 Å²	65	77%	0.769	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-4.3	-178.5	-55.2	-66.7	0	0	0	113.8	Y183	Y183-Y185 PolarHBondContact O-N 3.36Å; Y183-Y185 VanDerWaalsContact O-N 3.12Å
186	I	88.4	Confident	89.8	Confident	54 Å²	54	62.1 Å²	62.1	28%	0.277	31%	0.308	S	S	.	.			trans	-78.6	123	175.7	-62.2	177.6	0	0	0	109	Y183 D188 A192	Y183-I186 HydrophobicContact CD2-CD1 4.16Å; Y183-I186 HydrophobicContact CG-CD1 4.45Å; Y183-I186 PolarHBondContact O-N 3.32Å; I186-D188 VanDerWaalsContact CG2-O 3.24Å; I186-D188 WeakPolarHBondContact CG2-O 3.36Å; I186-A192 HydrophobicContact CB-CB 4.44Å; I186-A192 HydrophobicContact CD1-CB 4.33Å; I186-A192 HydrophobicContact CG2-CB 4.42Å
187	T	88.1	Confident	90.1	Very high	128 Å²	128	65 Å²	65	79%	0.785	32%	0.319	S	S	*	.	S	Bend	trans	-78.5	-34.6	-176.5	54.7	0	0	0	0	113.3	P189 K254	T187-P189 WeakPolarHBondContact O-CD 3.28Å; T187-K254 PolarHBondContact O-NZ 3.27Å
188	D	88.5	Confident	90.4	Very high	70 Å²	70	66 Å²	66	37%	0.374	33%	0.327	S	S	.	.	S	Bend	trans	-89.3	112.3	174.2	-173.9	15.2	0	0	0	111.1	I186 A190 S191 K246	I186-D188 VanDerWaalsContact CG2-O 3.24Å; I186-D188 WeakPolarHBondContact CG2-O 3.36Å; D188-A190 PolarHBondContact O-N 3.4Å; D188-A190 VanDerWaalsContact O-N 3.08Å; D188-A190 PolarHBondContact OD1-N 3.33Å; D188-S191 PolarHBondContact O-N 3.47Å; D188-K246 IonicContact OD1-NZ 3.95Å; D188-K246 PolarHBondContact OD1-NZ 3.06Å; D188-K246 IonicContact OD2-NZ 3.53Å
189	P	87.7	Confident	90.7	Very high	9 Å²	9	62.6 Å²	62.6	6%	0.058	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-55.7	-29.4	178.5	15.5	-29.1	0	0	0	114.6	T187 S191 A192 T220 R222 K246	T187-P189 WeakPolarHBondContact O-CD 3.28Å; P189-S191 VanDerWaalsContact C-N 3.26Å; P189-S191 PolarHBondContact O-N 3.15Å; P189-A192 PolarHBondContact O-N 3.01Å; P189-T220 HydrophobicContact CB-CG2 3.32Å; P189-T220 HydrophobicContact CG-CG2 3.91Å; P189-R222 PolarHBondContact O-NH2 3.06Å; P189-K246 HydrophobicContact CG-CD 4.01Å; P189-K246 HydrophobicContact CG-CG 4.32Å
190	A	87.3	Confident	91	Very high	47 Å²	47	63.8 Å²	63.8	39%	0.388	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-69.2	-25.3	179.8	0	0	0	0	0	112.8	D188	D188-A190 PolarHBondContact O-N 3.4Å; D188-A190 VanDerWaalsContact O-N 3.08Å; D188-A190 PolarHBondContact OD1-N 3.33Å
191	S	89	Confident	91.3	Very high	80 Å²	80	62.1 Å²	62.1	56%	0.559	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-82.3	-18.9	175.8	-179.5	0	0	0	0	112.7	D188 P189	D188-S191 PolarHBondContact O-N 3.47Å; P189-S191 VanDerWaalsContact C-N 3.26Å; P189-S191 PolarHBondContact O-N 3.15Å
192	A	90.7	Very high	91.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-77	129	177.9	0	0	0	0	0	110.2	I186 P189 G194 T196 R222 H241	I186-A192 HydrophobicContact CB-CB 4.44Å; I186-A192 HydrophobicContact CD1-CB 4.33Å; I186-A192 HydrophobicContact CG2-CB 4.42Å; P189-A192 PolarHBondContact O-N 3.01Å; A192-G194 PolarHBondContact O-N 3.42Å; A192-T196 HydrophobicContact CB-CG2 3.99Å; A192-R222 PolarHBondContact O-NH1 3.45Å; A192-R222 PolarHBondContact O-NH2 3.4Å; A192-H241 PolarHBondContact O-CE1 3.41Å
193	K	88.3	Confident	91.9	Very high	137 Å²	137	57.5 Å²	57.5	60%	0.596	29%	0.289	S	S	*	.	S	Bend	trans	-64.2	-20.6	-179.9	-67.5	-173.1	177.3	-172.7	0	113.9	H241	K193-H241 PolarHBondContact O-CE1 3.37Å; K193-H241 PolarHBondContact O-ND1 3.19Å
194	G	92	Very high	92.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-155.6	-171	176	0	0	0	0	0	113.2	N180 G182 A192 R222	N180-G194 WeakPolarHBondContact O-CA 3.39Å; G182-G194 VanDerWaalsContact CA-O 3.27Å; G182-G194 WeakPolarHBondContact CA-O 3.42Å; A192-G194 PolarHBondContact O-N 3.42Å; G194-R222 PolarHBondContact O-NH1 3.08Å; G194-R222 PolarHBondContact O-NH2 3.22Å
195	H	94.7	Very high	92.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-66.2	140.3	179.7	-77.7	-62.7	0	0	0	111.2	A164 G182 L199 T214 S216 D218 T220 W224	A164-H195 WeakPolarHBondContact O-CB 3.45Å; G182-H195 WeakPolarHBondContact CA-O 3.42Å; G182-H195 PolarHBondContact N-O 2.99Å; H195-L199 HydrophobicContact CB-CD2 3.89Å; H195-L199 WeakPolarHBondContact CD2-CD2 3.14Å; H195-T214 PolarHBondContact CD2-OG1 3.11Å; H195-T214 VanDerWaalsContact CD2-OG1 3.28Å; H195-T214 PolarHBondContact NE2-OG1 3.05Å; H195-S216 VanDerWaalsContact CE1-CB 3.44Å; H195-S216 WeakPolarHBondContact CE1-CB 3.34Å; H195-S216 WeakPolarHBondContact ND1-CB 3.47Å; H195-D218 WeakPolarHBondContact CA-OD2 3.35Å; H195-D218 IonicContact CE1-OD1 2.9Å; H195-D218 IonicContact CG-OD2 3.77Å; H195-D218 IonicContact ND1-OD1 3.02Å; H195-D218 PolarHBondContact ND1-OD1 3.11Å; H195-D218 IonicContact ND1-OD2 3.04Å; H195-D218 PolarHBondContact ND1-OD2 2.69Å; H195-D218 VanDerWaalsContact ND1-OD2 3.12Å; H195-T220 PolarHBondContact CE1-OG1 2.92Å; H195-T220 PolarHBondContact ND1-OG1 3.48Å; H195-W224 AromaticContact CD2-CZ2 3.84Å
196	T	93.8	Very high	92.7	Very high	21 Å²	21	38.5 Å²	38.5	13%	0.129	22%	0.216	C	C	.	.	S	Bend	trans	-95.5	-20.6	-176.5	55.3	0	0	0	0	112.7	Y183 A192 D218	Y183-T196 WeakPolarHBondContact O-CG2 3.38Å; A192-T196 HydrophobicContact CB-CG2 3.99Å; T196-D218 PolarHBondContact N-OD2 3.48Å; T196-D218 WeakPolarHBondContact OG1-CB 3.4Å; T196-D218 PolarHBondContact OG1-OD2 3.08Å
197	H	94.5	Very high	92.9	Very high	93 Å²	93	42 Å²	42	43%	0.431	23%	0.234	S	C	.	.	S	Bend	trans	-132.8	174.1	-176.2	-66.3	74.5	0	0	0	111	A164 L199 S216 Q217 D218	A164-H197 WeakPolarHBondContact CA-O 3.3Å; A164-H197 WeakPolarHBondContact CB-O 3.13Å; H197-L199 PolarHBondContact O-N 2.9Å; H197-S216 PolarHBondContact O-OG 3.02Å; H197-Q217 HydrophobicContact CB-CB 3.94Å; H197-D218 HydrophobicContact CB-CB 4.19Å
198	A	95.2	Very high	93.2	Very high	24 Å²	24	37.7 Å²	37.7	20%	0.198	21%	0.207	C	C	.	.			trans	-48.7	136	179.9	0	0	0	0	0	112.9	G162 S216 Q217	G162-A198 WeakPolarHBondContact O-CA 3.36Å; G162-A198 WeakPolarHBondContact O-CB 3.14Å; A198-S216 WeakPolarHBondContact O-CA 3.3Å; A198-S216 PolarHBondContact O-OG 3.03Å; A198-S216 VanDerWaalsContact O-OG 3.11Å; A198-Q217 PolarHBondContact O-N 2.79Å
199	L	96.5	Very high	93.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	152.2	170.8	-58.1	-177.1	0	0	0	110.5	K146 I160 S163 A166 H195 H197 C215	K146-L199 WeakPolarHBondContact CD-O 3.43Å; K146-L199 WeakPolarHBondContact CE-O 3.43Å; K146-L199 PolarHBondContact NZ-O 3.29Å; I160-L199 HydrophobicContact CD1-CD1 3.93Å; I160-L199 HydrophobicContact CG2-CB 3.58Å; I160-L199 HydrophobicContact CG2-CD1 4.26Å; S163-L199 WeakPolarHBondContact O-CG 3.45Å; S163-L199 PolarHBondContact O-N 3.45Å; A166-L199 HydrophobicContact CB-CD1 3.69Å; H195-L199 HydrophobicContact CB-CD2 3.89Å; H195-L199 WeakPolarHBondContact CD2-CD2 3.14Å; H197-L199 PolarHBondContact O-N 2.9Å; L199-C215 CarbonylContact C-O 3.51Å; L199-C215 WeakPolarHBondContact CA-O 3.43Å
200	H	95.9	Very high	93.6	Very high	25 Å²	25	37.9 Å²	37.9	12%	0.116	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-47.6	174	-67.3	-68.5	0	0	0	111.5	C215 Q217 S256 P257 T258	H200-C215 PolarHBondContact N-O 2.82Å; H200-Q217 PolarHBondContact CD2-N 2.99Å; H200-Q217 WeakPolarHBondContact NE2-CA 3.34Å; H200-Q217 VanDerWaalsContact NE2-CB 3.34Å; H200-Q217 WeakPolarHBondContact NE2-CB 3.22Å; H200-Q217 PolarHBondContact NE2-N 2.8Å; H200-S256 PolarHBondContact NE2-OG 2.62Å; H200-P257 PolarHBondContact CD2-O 3.44Å; H200-T258 WeakPolarHBondContact CB-O 3.35Å
201	W	96.5	Very high	93.9	Very high	17 Å²	17	38.9 Å²	38.9	6%	0.064	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	162.6	-176.2	-149.6	-94.9	0	0	0	110.5	H147 C215 C260 Q351 E353	H147-W201 HydrophobicContact CB-CD2 4.19Å; H147-W201 HydrophobicContact CB-CE3 4.25Å; H147-W201 AromaticContact CD2-CD2 3.84Å; H147-W201 AromaticContact CD2-CE2 3.24Å; H147-W201 AromaticContact CD2-CH2 3.38Å; H147-W201 WeakPolarHBondContact CD2-CH2 3.38Å; H147-W201 AromaticContact CD2-CZ2 3.02Å; H147-W201 WeakPolarHBondContact CD2-CZ2 3.23Å; H147-W201 AromaticContact CD2-CZ3 3.93Å; H147-W201 AromaticContact CD2-NE1 3.75Å; H147-W201 AromaticContact CE1-CE2 3.85Å; H147-W201 AromaticContact CE1-NE1 3.53Å; H147-W201 AromaticContact CG-CD2 3.9Å; H147-W201 AromaticContact CG-CE2 3.68Å; H147-W201 AromaticContact CG-CZ2 3.92Å; H147-W201 AromaticContact CG-NE1 3.93Å; H147-W201 AromaticContact ND1-NE1 3.81Å; H147-W201 AromaticContact NE2-CE2 3.35Å; H147-W201 VanDerWaalsContact NE2-CE2 3.35Å; H147-W201 AromaticContact NE2-CH2 3.96Å; H147-W201 AromaticContact NE2-CZ2 3.15Å; H147-W201 WeakPolarHBondContact NE2-CZ2 3.25Å; H147-W201 AromaticContact NE2-NE1 3.46Å; H147-W201 PolarHBondContact NE2-NE1 3.35Å; W201-C215 WeakPolarHBondContact CB-SG 3.39Å; W201-C215 PolarHBondContact N-SG 3.21Å; W201-C215 PolarHBondContact O-N 3.04Å; W201-C260 VanDerWaalsContact CD1-O 3.26Å; W201-Q351 HydrophobicContact CZ3-CB 4.42Å; W201-E353 HydrophobicContact CH2-CG 3.65Å; W201-E353 WeakPolarHBondContact CH2-OE1 3.21Å; W201-E353 HydrophobicContact CZ2-CG 4.09Å
202	G	96.1	Very high	94.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	144.5	171.7	0	0	0	0	0	111	H147 L213	H147-G202 PolarHBondContact CE1-O 3.42Å; H147-G202 VanDerWaalsContact CE1-O 3.29Å; H147-G202 PolarHBondContact ND1-O 2.98Å; G202-L213 CarbonylContact C-O 3.46Å; G202-L213 WeakPolarHBondContact CA-O 3.45Å
203	M	96.2	Very high	94.5	Very high	32 Å²	32	35.1 Å²	35.1	16%	0.158	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	144.8	-173.5	-159.7	179.2	84.9	0	0	109.9	D149 L213 A261 Y262	D149-M203 VanDerWaalsContact OD2-CA 3.31Å; D149-M203 WeakPolarHBondContact OD2-CA 3.48Å; D149-M203 WeakPolarHBondContact OD2-CG 3.47Å; M203-L213 PolarHBondContact N-O 2.75Å; M203-L213 PolarHBondContact O-N 2.81Å; M203-A261 HydrophobicContact CE-CB 4.4Å; M203-A261 HydrophobicContact SD-CB 4.17Å; M203-Y262 VanDerWaalsContact CE-CB 3.42Å; M203-Y262 HydrophobicContact CE-CD2 3.83Å; M203-Y262 HydrophobicContact CE-CG 4.1Å
204	W	96.7	Very high	94.9	Very high	5 Å²	5	28.6 Å²	28.6	2%	0.019	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	156	171.8	-68.6	95.3	0	0	0	111.8	D149 F150 H156 L158 I168 S209 L212 I226	D149-W204 PolarHBondContact O-NE1 2.83Å; D149-W204 PolarHBondContact OD2-N 3.02Å; F150-W204 VanDerWaalsContact O-CD1 3.3Å; H156-W204 HydrophobicContact CB-CH2 3.81Å; H156-W204 HydrophobicContact CB-CZ2 3.68Å; L158-W204 HydrophobicContact CB-CZ2 4.15Å; L158-W204 VanDerWaalsContact CB-NE1 3.26Å; I168-W204 HydrophobicContact CG2-CH2 4.12Å; I168-W204 HydrophobicContact CG2-CZ2 4.13Å; W204-S209 WeakPolarHBondContact CZ3-O 3.03Å; W204-L212 HydrophobicContact CD2-CB 4.25Å; W204-L212 HydrophobicContact CE3-CB 3.92Å; W204-L212 HydrophobicContact CH2-CD2 4.34Å; W204-L212 HydrophobicContact CZ3-CB 4.29Å; W204-L212 HydrophobicContact CZ3-CD2 4.2Å; W204-I226 HydrophobicContact CH2-CD1 3.16Å; W204-I226 HydrophobicContact CZ2-CD1 4.39Å; W204-I226 HydrophobicContact CZ3-CD1 3.36Å; W204-I226 HydrophobicContact CZ3-CG1 4.46Å
205	H	96.3	Very high	95.1	Very high	30 Å²	30	28.6 Å²	28.6	14%	0.139	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	129.9	165.2	-176.4	-87.8	0	0	0	108.7	P152 L207 D208 K211 Y262	P152-H205 WeakPolarHBondContact CG-O 3.42Å; H205-L207 PolarHBondContact ND1-N 3.13Å; H205-L207 PolarHBondContact O-N 3.32Å; H205-L207 VanDerWaalsContact O-N 3.1Å; H205-D208 HydrophobicContact CB-CB 4.25Å; H205-D208 WeakPolarHBondContact ND1-CB 3.21Å; H205-D208 PolarHBondContact ND1-N 2.89Å; H205-D208 VanDerWaalsContact ND1-N 3.11Å; H205-D208 PolarHBondContact O-N 2.94Å; H205-K211 HydrophobicContact CB-CB 3.83Å; H205-K211 WeakPolarHBondContact CB-O 2.74Å; H205-K211 PolarHBondContact N-O 3.46Å; H205-Y262 HydrophobicContact CB-CE2 4.23Å; H205-Y262 AromaticContact CD2-CE1 3.81Å
206	P	94.3	Very high	95.2	Very high	36 Å²	36	28.6 Å²	28.6	23%	0.234	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.3	-168.3	25.9	-37.8	0	0	0	114.3	P152 S263 K264	P152-P206 WeakPolarHBondContact CG-O 2.99Å; P206-S263 WeakPolarHBondContact CG-O 3.31Å; P206-K264 WeakPolarHBondContact CG-O 3.39Å
207	L	93.5	Very high	95.3	Very high	129 Å²	129	32.3 Å²	32.3	68%	0.675	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-12.9	-177.4	-56.1	173.9	0	0	0	113.6	H205	H205-L207 PolarHBondContact ND1-N 3.13Å; H205-L207 PolarHBondContact O-N 3.32Å; H205-L207 VanDerWaalsContact O-N 3.1Å
208	D	93.4	Very high	95.3	Very high	37 Å²	37	28.6 Å²	28.6	20%	0.198	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	104.9	-171.3	-176.4	1.3	0	0	0	109.3	H205 N210 K211	H205-D208 HydrophobicContact CB-CB 4.25Å; H205-D208 WeakPolarHBondContact ND1-CB 3.21Å; H205-D208 PolarHBondContact ND1-N 2.89Å; H205-D208 VanDerWaalsContact ND1-N 3.11Å; H205-D208 PolarHBondContact O-N 2.94Å; D208-N210 PolarHBondContact O-N 2.83Å; D208-N210 WeakPolarHBondContact OD1-CB 3.32Å; D208-N210 PolarHBondContact OD1-N 2.89Å; D208-N210 VanDerWaalsContact OD1-N 3.12Å; D208-N210 PolarHBondContact OD1-ND2 2.76Å; D208-K211 PolarHBondContact O-N 2.91Å; D208-K211 WeakPolarHBondContact OD2-CG 3.43Å; D208-K211 IonicContact OD2-NZ 2.88Å; D208-K211 PolarHBondContact OD2-NZ 2.9Å
209	S	93.1	Very high	95.3	Very high	26 Å²	26	27.9 Å²	27.9	18%	0.182	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	-2.5	-178.7	-53.8	0	0	0	0	114.6	S153 W204	S153-S209 WeakPolarHBondContact CB-OG 3.38Å; S153-S209 PolarHBondContact N-OG 3.5Å; S153-S209 WeakPolarHBondContact OG-CB 3.34Å; S153-S209 PolarHBondContact OG-OG 3.22Å; W204-S209 WeakPolarHBondContact CZ3-O 3.03Å
210	N	91.9	Very high	95.2	Very high	56 Å²	56	27.9 Å²	27.9	30%	0.299	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-21.7	178.6	-54	-65.4	0	0	0	113.1	D208 D225 I226 N227	D208-N210 PolarHBondContact O-N 2.83Å; D208-N210 WeakPolarHBondContact OD1-CB 3.32Å; D208-N210 PolarHBondContact OD1-N 2.89Å; D208-N210 VanDerWaalsContact OD1-N 3.12Å; D208-N210 PolarHBondContact OD1-ND2 2.76Å; N210-D225 WeakPolarHBondContact O-CA 3.31Å; N210-I226 PolarHBondContact O-N 3.4Å; N210-N227 PolarHBondContact ND2-ND2 2.9Å; N210-N227 PolarHBondContact OD1-ND2 2.65Å
211	K	93.3	Very high	95.3	Very high	69 Å²	69	26.7 Å²	26.7	30%	0.3	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.9	-175.5	-68.3	-169.6	-170.5	94.6	0	111.1	H205 D208 W224	H205-K211 HydrophobicContact CB-CB 3.83Å; H205-K211 WeakPolarHBondContact CB-O 2.74Å; H205-K211 PolarHBondContact N-O 3.46Å; D208-K211 PolarHBondContact O-N 2.91Å; D208-K211 WeakPolarHBondContact OD2-CG 3.43Å; D208-K211 IonicContact OD2-NZ 2.88Å; D208-K211 PolarHBondContact OD2-NZ 2.9Å; K211-W224 VanDerWaalsContact CA-O 3.31Å; K211-W224 WeakPolarHBondContact CA-O 3.5Å
212	L	94.8	Very high	95.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.1	175.8	65.8	95.1	0	0	0	110.7	L158 I168 W204 T214 V223 W224 I226	L158-L212 HydrophobicContact CD1-CD1 4.38Å; L158-L212 HydrophobicContact CD1-CD2 4.45Å; L158-L212 HydrophobicContact CD2-CB 4.43Å; I168-L212 HydrophobicContact CD1-CD2 3.55Å; I168-L212 HydrophobicContact CG1-CD2 4.07Å; W204-L212 HydrophobicContact CD2-CB 4.25Å; W204-L212 HydrophobicContact CE3-CB 3.92Å; W204-L212 HydrophobicContact CH2-CD2 4.34Å; W204-L212 HydrophobicContact CZ3-CB 4.29Å; W204-L212 HydrophobicContact CZ3-CD2 4.2Å; L212-T214 HydrophobicContact CD1-CG2 3.66Å; L212-V223 CarbonylContact O-C 3.56Å; L212-V223 WeakPolarHBondContact O-CA 3.36Å; L212-W224 HydrophobicContact CD1-CB 3.82Å; L212-W224 HydrophobicContact CD1-CG 3.8Å; L212-W224 HydrophobicContact CD2-CB 4.4Å; L212-W224 HydrophobicContact CG-CB 3.87Å; L212-W224 HydrophobicContact CG-CG 4.39Å; L212-W224 PolarHBondContact N-O 3.05Å; L212-W224 PolarHBondContact O-N 3.05Å; L212-I226 HydrophobicContact CD2-CD1 4.06Å; L212-I226 HydrophobicContact CD2-CG1 4.08Å
213	L	96.5	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	134.2	176.5	177.5	73.2	0	0	0	108.8	G202 M203 L221 R222 V223 C260 Y262 I269	G202-L213 CarbonylContact C-O 3.46Å; G202-L213 WeakPolarHBondContact CA-O 3.45Å; M203-L213 PolarHBondContact N-O 2.75Å; M203-L213 PolarHBondContact O-N 2.81Å; L213-L221 HydrophobicContact CD1-CB 3.94Å; L213-L221 HydrophobicContact CD1-CD2 4.25Å; L213-L221 HydrophobicContact CD2-CD2 4.35Å; L213-L221 HydrophobicContact CG-CD2 4.49Å; L213-R222 WeakPolarHBondContact CA-O 3.39Å; L213-V223 HydrophobicContact CD1-CG2 3.9Å; L213-C260 HydrophobicContact CD2-CB 3.91Å; L213-Y262 HydrophobicContact CB-CD2 4.15Å; L213-Y262 HydrophobicContact CB-CE2 3.37Å; L213-Y262 HydrophobicContact CD2-CD2 4.24Å; L213-Y262 HydrophobicContact CD2-CE2 4.06Å; L213-Y262 HydrophobicContact CG-CE2 4.28Å; L213-I269 HydrophobicContact CD1-CG2 4.41Å; L213-I269 HydrophobicContact CD2-CG2 3.75Å
214	T	97.2	Very high	95	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148.8	171.1	58.4	0	0	0	0	110.3	I160 A166 H195 L212 L221 R222 W224	I160-T214 HydrophobicContact CD1-CG2 3.97Å; A166-T214 HydrophobicContact CB-CG2 3.98Å; H195-T214 PolarHBondContact CD2-OG1 3.11Å; H195-T214 VanDerWaalsContact CD2-OG1 3.28Å; H195-T214 PolarHBondContact NE2-OG1 3.05Å; L212-T214 HydrophobicContact CD1-CG2 3.66Å; T214-L221 CarbonylContact O-C 3.57Å; T214-L221 WeakPolarHBondContact O-CA 3.41Å; T214-R222 PolarHBondContact N-O 3.15Å; T214-R222 PolarHBondContact O-N 2.84Å; T214-W224 PolarHBondContact OG1-NE1 2.76Å
215	C	96.6	Very high	94.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.5	170.8	75.8	0	0	0	0	110.9	L199 H200 W201 L221 P257 C260	L199-C215 CarbonylContact C-O 3.51Å; L199-C215 WeakPolarHBondContact CA-O 3.43Å; H200-C215 PolarHBondContact N-O 2.82Å; W201-C215 WeakPolarHBondContact CB-SG 3.39Å; W201-C215 PolarHBondContact N-SG 3.21Å; W201-C215 PolarHBondContact O-N 3.04Å; C215-L221 HydrophobicContact CB-CD2 4.1Å; C215-L221 HydrophobicContact CB-CG 4.03Å; C215-P257 HydrophobicContact CB-CB 4.09Å; C215-P257 HydrophobicContact CB-CG 3.88Å; C215-C260 HydrophobicContact CB-CB 4.02Å
216	S	96.7	Very high	94.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	158.7	-172.2	175.4	0	0	0	0	111.7	H195 H197 A198 D218 S219 T220 P257	H195-S216 VanDerWaalsContact CE1-CB 3.44Å; H195-S216 WeakPolarHBondContact CE1-CB 3.34Å; H195-S216 WeakPolarHBondContact ND1-CB 3.47Å; H197-S216 PolarHBondContact O-OG 3.02Å; A198-S216 WeakPolarHBondContact O-CA 3.3Å; A198-S216 PolarHBondContact O-OG 3.03Å; A198-S216 VanDerWaalsContact O-OG 3.11Å; S216-D218 VanDerWaalsContact CB-OD1 3.31Å; S216-D218 WeakPolarHBondContact CB-OD1 3.41Å; S216-D218 PolarHBondContact O-N 3.25Å; S216-D218 PolarHBondContact OG-N 3.41Å; S216-D218 PolarHBondContact OG-OD1 2.91Å; S216-S219 PolarHBondContact O-N 3.33Å; S216-T220 PolarHBondContact N-O 2.93Å; S216-P257 WeakPolarHBondContact O-CD 3.41Å
217	Q	95.6	Very high	93.9	Very high	100 Å²	100	26.6 Å²	26.6	47%	0.467	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.3	173.8	-162.6	158.8	-8.4	0	0	113.7	H197 A198 H200 S219 S256	H197-Q217 HydrophobicContact CB-CB 3.94Å; A198-Q217 PolarHBondContact O-N 2.79Å; H200-Q217 PolarHBondContact CD2-N 2.99Å; H200-Q217 WeakPolarHBondContact NE2-CA 3.34Å; H200-Q217 VanDerWaalsContact NE2-CB 3.34Å; H200-Q217 WeakPolarHBondContact NE2-CB 3.22Å; H200-Q217 PolarHBondContact NE2-N 2.8Å; Q217-S219 PolarHBondContact O-N 2.99Å; Q217-S219 VanDerWaalsContact O-N 3.07Å; Q217-S256 WeakPolarHBondContact CA-OG 3.34Å
218	D	94.5	Very high	93	Very high	15 Å²	15	24 Å²	24	8%	0.08	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	12.7	176.7	72.4	5.9	0	0	0	115	H195 T196 H197 S216 T220	H195-D218 WeakPolarHBondContact CA-OD2 3.35Å; H195-D218 IonicContact CE1-OD1 2.9Å; H195-D218 IonicContact CG-OD2 3.77Å; H195-D218 IonicContact ND1-OD1 3.02Å; H195-D218 PolarHBondContact ND1-OD1 3.11Å; H195-D218 IonicContact ND1-OD2 3.04Å; H195-D218 PolarHBondContact ND1-OD2 2.69Å; H195-D218 VanDerWaalsContact ND1-OD2 3.12Å; T196-D218 PolarHBondContact N-OD2 3.48Å; T196-D218 WeakPolarHBondContact OG1-CB 3.4Å; T196-D218 PolarHBondContact OG1-OD2 3.08Å; H197-D218 HydrophobicContact CB-CB 4.19Å; S216-D218 VanDerWaalsContact CB-OD1 3.31Å; S216-D218 WeakPolarHBondContact CB-OD1 3.41Å; S216-D218 PolarHBondContact O-N 3.25Å; S216-D218 PolarHBondContact OG-N 3.41Å; S216-D218 PolarHBondContact OG-OD1 2.91Å; D218-T220 VanDerWaalsContact C-N 3.29Å; D218-T220 PolarHBondContact O-N 3.02Å; D218-T220 WeakPolarHBondContact OD1-CB 3.28Å; D218-T220 PolarHBondContact OD1-N 2.94Å; D218-T220 VanDerWaalsContact OD1-N 3.12Å; D218-T220 PolarHBondContact OD1-OG1 3.1Å; D218-T220 PolarHBondContact OD2-OG1 3.19Å
219	S	95.1	Very high	91.9	Very high	8 Å²	8	23 Å²	23	6%	0.056	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	26.7	-178.5	69.2	0	0	0	0	114.9	S216 Q217 T247 K254 T255	S216-S219 PolarHBondContact O-N 3.33Å; Q217-S219 PolarHBondContact O-N 2.99Å; Q217-S219 VanDerWaalsContact O-N 3.07Å; S219-T247 PolarHBondContact O-N 3.29Å; S219-T247 PolarHBondContact O-OG1 3.46Å; S219-K254 WeakPolarHBondContact OG-CB 3.4Å; S219-K254 WeakPolarHBondContact OG-CD 3.39Å; S219-K254 WeakPolarHBondContact OG-CG 3.45Å; S219-T255 WeakPolarHBondContact CA-O 3.35Å; S219-T255 WeakPolarHBondContact CB-O 3.45Å
220	T	95.8	Very high	90.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.7	177.4	70.8	0	0	0	0	113.1	P189 H195 S216 D218 V244 I245	P189-T220 HydrophobicContact CB-CG2 3.32Å; P189-T220 HydrophobicContact CG-CG2 3.91Å; H195-T220 PolarHBondContact CE1-OG1 2.92Å; H195-T220 PolarHBondContact ND1-OG1 3.48Å; S216-T220 PolarHBondContact N-O 2.93Å; D218-T220 VanDerWaalsContact C-N 3.29Å; D218-T220 PolarHBondContact O-N 3.02Å; D218-T220 WeakPolarHBondContact OD1-CB 3.28Å; D218-T220 PolarHBondContact OD1-N 2.94Å; D218-T220 VanDerWaalsContact OD1-N 3.12Å; D218-T220 PolarHBondContact OD1-OG1 3.1Å; D218-T220 PolarHBondContact OD2-OG1 3.19Å; T220-V244 HydrophobicContact CG2-CG1 4.04Å; T220-I245 CarbonylContact C-O 3.56Å; T220-I245 VanDerWaalsContact CA-O 3.27Å; T220-I245 WeakPolarHBondContact CA-O 3.31Å
221	L	96.7	Very high	88.9	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	141.1	154.9	-51.9	93	0	0	0	108.8	L213 T214 C215 I245 T247 P257 C260 I269 A271 W281	L213-L221 HydrophobicContact CD1-CB 3.94Å; L213-L221 HydrophobicContact CD1-CD2 4.25Å; L213-L221 HydrophobicContact CD2-CD2 4.35Å; L213-L221 HydrophobicContact CG-CD2 4.49Å; T214-L221 CarbonylContact O-C 3.57Å; T214-L221 WeakPolarHBondContact O-CA 3.41Å; C215-L221 HydrophobicContact CB-CD2 4.1Å; C215-L221 HydrophobicContact CB-CG 4.03Å; L221-I245 HydrophobicContact CB-CB 4.15Å; L221-I245 HydrophobicContact CD1-CB 4.31Å; L221-I245 HydrophobicContact CD1-CG2 4.17Å; L221-I245 PolarHBondContact N-O 2.96Å; L221-I245 PolarHBondContact O-N 3.4Å; L221-T247 HydrophobicContact CD1-CG2 3.64Å; L221-P257 HydrophobicContact CD1-CB 4.32Å; L221-P257 HydrophobicContact CD1-CG 4.24Å; L221-P257 HydrophobicContact CG-CB 4.47Å; L221-P257 HydrophobicContact CG-CG 4.28Å; L221-C260 HydrophobicContact CD2-CB 3.29Å; L221-I269 HydrophobicContact CD2-CG2 4.44Å; L221-A271 HydrophobicContact CD1-CB 3.87Å; L221-A271 HydrophobicContact CD2-CB 3.86Å; L221-A271 HydrophobicContact CG-CB 4.47Å; L221-W281 HydrophobicContact CD1-CH2 3.98Å; L221-W281 HydrophobicContact CD1-CZ3 4.22Å
222	R	95.2	Very high	87.3	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.9	178.2	-67.7	179.3	-174.5	-117.2	-3.8	109.9	P189 A192 G194 L213 T214 W224 H241 I243 V244	P189-R222 PolarHBondContact O-NH2 3.06Å; A192-R222 PolarHBondContact O-NH1 3.45Å; A192-R222 PolarHBondContact O-NH2 3.4Å; G194-R222 PolarHBondContact O-NH1 3.08Å; G194-R222 PolarHBondContact O-NH2 3.22Å; L213-R222 WeakPolarHBondContact CA-O 3.39Å; T214-R222 PolarHBondContact N-O 3.15Å; T214-R222 PolarHBondContact O-N 2.84Å; R222-W224 HydrophobicContact CB-CZ2 4.04Å; R222-W224 HydrophobicContact CG-CZ2 4.46Å; R222-H241 HydrophobicContact CB-CB 4.37Å; R222-H241 PolarHBondContact NH1-CE1 2.9Å; R222-H241 PolarHBondContact NH1-ND1 2.8Å; R222-I243 WeakPolarHBondContact CA-O 3.04Å; R222-V244 HydrophobicContact CG-CG2 4.18Å
223	V	94.9	Very high	85.1	Confident	7 Å²	7	38.9 Å²	38.9	4%	0.042	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.5	169.2	-176.4	0	0	0	0	107.5	L212 L213 H241 K242 I243 Y262 I269	L212-V223 CarbonylContact O-C 3.56Å; L212-V223 WeakPolarHBondContact O-CA 3.36Å; L213-V223 HydrophobicContact CD1-CG2 3.9Å; V223-H241 CarbonylContact O-C 3.56Å; V223-H241 WeakPolarHBondContact O-CA 3.39Å; V223-K242 PolarHBondContact O-N 3.42Å; V223-I243 HydrophobicContact CB-CB 4.14Å; V223-I243 HydrophobicContact CG2-CB 4.3Å; V223-I243 PolarHBondContact N-O 3.21Å; V223-I243 PolarHBondContact O-N 2.73Å; V223-Y262 WeakPolarHBondContact CG2-OH 3.34Å; V223-I269 HydrophobicContact CG2-CD1 4.36Å
224	W	93.8	Very high	83.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	151.8	179	-48.2	79.9	0	0	0	109.5	T179 H195 K211 L212 T214 R222 P239 H241	T179-W224 HydrophobicContact CG2-CD2 3.71Å; T179-W224 HydrophobicContact CG2-CE3 3.93Å; T179-W224 HydrophobicContact CG2-CG 4.09Å; T179-W224 HydrophobicContact CG2-CH2 4.32Å; T179-W224 HydrophobicContact CG2-CZ2 4.17Å; T179-W224 HydrophobicContact CG2-CZ3 4.24Å; H195-W224 AromaticContact CD2-CZ2 3.84Å; K211-W224 VanDerWaalsContact CA-O 3.31Å; K211-W224 WeakPolarHBondContact CA-O 3.5Å; L212-W224 HydrophobicContact CD1-CB 3.82Å; L212-W224 HydrophobicContact CD1-CG 3.8Å; L212-W224 HydrophobicContact CD2-CB 4.4Å; L212-W224 HydrophobicContact CG-CB 3.87Å; L212-W224 HydrophobicContact CG-CG 4.39Å; L212-W224 PolarHBondContact N-O 3.05Å; L212-W224 PolarHBondContact O-N 3.05Å; T214-W224 PolarHBondContact OG1-NE1 2.76Å; R222-W224 HydrophobicContact CB-CZ2 4.04Å; R222-W224 HydrophobicContact CG-CZ2 4.46Å; W224-P239 HydrophobicContact CE3-CG 4.42Å; W224-P239 WeakPolarHBondContact CZ3-O 3.4Å; W224-H241 HydrophobicContact CD2-CB 4.11Å; W224-H241 HydrophobicContact CE3-CB 3.84Å; W224-H241 HydrophobicContact CH2-CB 4.35Å; W224-H241 HydrophobicContact CZ3-CB 3.96Å
225	D	91.3	Very high	81.2	Confident	10 Å²	10	54 Å²	54	5%	0.053	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.6	171.8	-163.9	-35.8	0	0	0	108.7	N210 N227 D228 P239 K242	N210-D225 WeakPolarHBondContact O-CA 3.31Å; D225-N227 PolarHBondContact OD1-N 3.13Å; D225-D228 HydrophobicContact CB-CB 4.41Å; D225-P239 WeakPolarHBondContact O-CB 3.42Å; D225-K242 HydrophobicContact CB-CD 3.76Å; D225-K242 VanDerWaalsContact CB-CE 3.42Å; D225-K242 HydrophobicContact CB-CG 4.18Å; D225-K242 WeakPolarHBondContact OD2-CE 3.33Å; D225-K242 IonicContact OD2-NZ 3.74Å; D225-K242 PolarHBondContact OD2-NZ 3.33Å
226	I	87.4	Confident	79.4	Confident	5 Å²	5	55.7 Å²	55.7	3%	0.026	30%	0.299	C	S	.	.	S	Bend	trans	-75.1	-28.5	-176.8	-65.5	177.3	0	0	0	111.8	I168 W204 N210 L212 D228 A229	I168-I226 HydrophobicContact CD1-CD1 4.14Å; I168-I226 HydrophobicContact CD1-CG1 4.3Å; I168-I226 HydrophobicContact CG2-CD1 4.18Å; W204-I226 HydrophobicContact CH2-CD1 3.16Å; W204-I226 HydrophobicContact CZ2-CD1 4.39Å; W204-I226 HydrophobicContact CZ3-CD1 3.36Å; W204-I226 HydrophobicContact CZ3-CG1 4.46Å; N210-I226 PolarHBondContact O-N 3.4Å; L212-I226 HydrophobicContact CD2-CD1 4.06Å; L212-I226 HydrophobicContact CD2-CG1 4.08Å; I226-D228 VanDerWaalsContact C-N 3.33Å; I226-A229 WeakPolarHBondContact O-CB 3.24Å; I226-A229 PolarHBondContact O-N 2.96Å
227	N	84.3	Confident	78	Confident	96 Å²	96	61.2 Å²	61.2	51%	0.513	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-27.2	-178.2	-71.1	-30	0	0	0	112.6	N210 D225 A229	N210-N227 PolarHBondContact ND2-ND2 2.9Å; N210-N227 PolarHBondContact OD1-ND2 2.65Å; D225-N227 PolarHBondContact OD1-N 3.13Å; N227-A229 PolarHBondContact O-N 3.04Å
228	D	74.9	Confident	77	Confident	74 Å²	74	58 Å²	58	40%	0.396	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	10.9	175.8	-75.1	35	0	0	0	112.6	D225 I226 E230 K242	D225-D228 HydrophobicContact CB-CB 4.41Å; I226-D228 VanDerWaalsContact C-N 3.33Å; D228-E230 PolarHBondContact O-N 3.06Å; D228-K242 VanDerWaalsContact CG-NZ 3.29Å; D228-K242 WeakPolarHBondContact OD1-CE 3.38Å; D228-K242 IonicContact OD1-NZ 2.69Å; D228-K242 PolarHBondContact OD1-NZ 2.96Å; D228-K242 WeakPolarHBondContact OD2-CE 3.32Å; D228-K242 IonicContact OD2-NZ 3.97Å; D228-K242 PolarHBondContact OD2-NZ 3.12Å; D228-K242 VanDerWaalsContact OD2-NZ 3.13Å
229	A	70.7	Confident	76.2	Confident	17 Å²	17	57.2 Å²	57.2	14%	0.14	30%	0.302	C	S	.	.			trans	-76.6	120.3	-176.5	0	0	0	0	0	111.9	I226 N227 A231 R237 I238 P239	I226-A229 WeakPolarHBondContact O-CB 3.24Å; I226-A229 PolarHBondContact O-N 2.96Å; N227-A229 PolarHBondContact O-N 3.04Å; A229-A231 PolarHBondContact O-N 2.79Å; A229-R237 HydrophobicContact CB-CB 3.5Å; A229-R237 VanDerWaalsContact CB-CB 3.5Å; A229-R237 HydrophobicContact CB-CG 4.07Å; A229-I238 VanDerWaalsContact CA-O 3.3Å; A229-I238 WeakPolarHBondContact CA-O 3.36Å; A229-P239 HydrophobicContact CB-CB 4.28Å
230	E	61.6	Low	75.3	Confident	144 Å²	144	59.7 Å²	59.7	67%	0.673	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	124	169.5	-68.6	178.9	172.3	0	0	108.3	D228 V232 I238	D228-E230 PolarHBondContact O-N 3.06Å; E230-V232 PolarHBondContact O-N 3.02Å; E230-I238 PolarHBondContact N-O 3.47Å; E230-I238 PolarHBondContact O-N 3.41Å; E230-I238 VanDerWaalsContact O-N 3.15Å
231	A	60.1	Low	74.7	Confident	84 Å²	84	61.8 Å²	61.8	69%	0.694	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	114.4	173.5	0	0	0	0	0	108.6	A229	A229-A231 PolarHBondContact O-N 2.79Å
232	V	60.3	Low	74.2	Confident	71 Å²	71	66.2 Å²	66.2	43%	0.43	35%	0.345	S	S	.	.			trans	-92.8	157.2	170.6	-177.8	0	0	0	0	108.5	E230 N234 E235 T236 I238	E230-V232 PolarHBondContact O-N 3.02Å; V232-N234 PolarHBondContact O-N 2.99Å; V232-E235 PolarHBondContact O-N 3.46Å; V232-T236 PolarHBondContact N-O 2.94Å; V232-I238 HydrophobicContact CB-CD1 4.46Å; V232-I238 HydrophobicContact CG2-CD1 3.64Å; V232-I238 HydrophobicContact CG2-CG1 4.09Å
233	M	48.4	Very low	74	Confident	185 Å²	185	69.3 Å²	69.3	91%	0.911	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	5.8	-164.3	-126.1	-175.6	-82.2	0	0	119.8
234	N	54	Low	73.9	Confident	137 Å²	137	70.4 Å²	70.4	73%	0.733	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.2	36.1	179.5	-68.7	-23.2	0	0	0	112.7	V232 T236	V232-N234 PolarHBondContact O-N 2.99Å; N234-T236 PolarHBondContact O-N 2.89Å
235	E	56.7	Low	74	Confident	180 Å²	180	70.4 Å²	70.4	84%	0.841	37%	0.368	S	S	*	.	S	Bend	trans	62.3	-11.5	-177.3	-58.2	-177.6	168.2	0	0	116	V232 R237	V232-E235 PolarHBondContact O-N 3.46Å; E235-R237 PolarHBondContact O-N 3.22Å
236	T	60.2	Low	74.2	Confident	37 Å²	37	73 Å²	73	23%	0.227	38%	0.379	C	S	.	.			trans	-68.5	116.8	174	56.6	0	0	0	0	110.3	Y178 V232 N234	Y178-T236 HydrophobicContact CE1-CG2 4.15Å; V232-T236 PolarHBondContact N-O 2.94Å; N234-T236 PolarHBondContact O-N 2.89Å
237	R	67.5	Low	74.6	Confident	116 Å²	116	72.9 Å²	72.9	44%	0.438	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	135.5	178.4	-79.7	-179.1	-157	-173.6	6.7	110.2	C177 Y178 A229 E235	C177-R237 WeakPolarHBondContact CA-O 3.41Å; C177-R237 HydrophobicContact CB-CB 3.75Å; C177-R237 WeakPolarHBondContact CB-O 3.47Å; Y178-R237 PolarHBondContact N-O 2.73Å; A229-R237 HydrophobicContact CB-CB 3.5Å; A229-R237 VanDerWaalsContact CB-CB 3.5Å; A229-R237 HydrophobicContact CB-CG 4.07Å; E235-R237 PolarHBondContact O-N 3.22Å
238	I	74.2	Confident	75	Confident	31 Å²	31	73.9 Å²	73.9	16%	0.159	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	101.6	173.8	-55.3	-178.8	0	0	0	109.5	Y178 N180 A229 E230 V232	Y178-I238 HydrophobicContact CE2-CD1 4.17Å; Y178-I238 HydrophobicContact CE2-CG1 4.14Å; N180-I238 HydrophobicContact CB-CG2 3.63Å; A229-I238 VanDerWaalsContact CA-O 3.3Å; A229-I238 WeakPolarHBondContact CA-O 3.36Å; E230-I238 PolarHBondContact N-O 3.47Å; E230-I238 PolarHBondContact O-N 3.41Å; E230-I238 VanDerWaalsContact O-N 3.15Å; V232-I238 HydrophobicContact CB-CD1 4.46Å; V232-I238 HydrophobicContact CG2-CD1 3.64Å; V232-I238 HydrophobicContact CG2-CG1 4.09Å
239	P	76.2	Confident	75.9	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-68.6	138	178.9	29	-34.3	0	0	0	110.7	Y178 T179 W224 D225 A229	Y178-P239 WeakPolarHBondContact O-CD 3.33Å; T179-P239 HydrophobicContact CG2-CG 4.03Å; W224-P239 HydrophobicContact CE3-CG 4.42Å; W224-P239 WeakPolarHBondContact CZ3-O 3.4Å; D225-P239 WeakPolarHBondContact O-CB 3.42Å; A229-P239 HydrophobicContact CB-CB 4.28Å
240	T	77.2	Confident	76.8	Confident	60 Å²	60	74.8 Å²	74.8	37%	0.368	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-84.1	148.8	165.9	67.9	0	0	0	0	110
241	H	82.9	Confident	78.2	Confident	43 Å²	43	74.8 Å²	74.8	20%	0.199	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	132.7	172.1	65.3	-88.8	0	0	0	108.9	A192 K193 R222 V223 W224 V244	A192-H241 PolarHBondContact O-CE1 3.41Å; K193-H241 PolarHBondContact O-CE1 3.37Å; K193-H241 PolarHBondContact O-ND1 3.19Å; R222-H241 HydrophobicContact CB-CB 4.37Å; R222-H241 PolarHBondContact NH1-CE1 2.9Å; R222-H241 PolarHBondContact NH1-ND1 2.8Å; V223-H241 CarbonylContact O-C 3.56Å; V223-H241 WeakPolarHBondContact O-CA 3.39Å; W224-H241 HydrophobicContact CD2-CB 4.11Å; W224-H241 HydrophobicContact CE3-CB 3.84Å; W224-H241 HydrophobicContact CH2-CB 4.35Å; W224-H241 HydrophobicContact CZ3-CB 3.96Å; H241-V244 WeakPolarHBondContact CD2-CG2 3.39Å; H241-V244 WeakPolarHBondContact NE2-CG2 3.38Å
242	K	85.7	Confident	79.5	Confident	94 Å²	94	72.6 Å²	72.6	41%	0.409	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-35.2	173.6	-70.8	-168.7	168.9	175.9	0	111.5	V223 D225 D228	V223-K242 PolarHBondContact O-N 3.42Å; D225-K242 HydrophobicContact CB-CD 3.76Å; D225-K242 VanDerWaalsContact CB-CE 3.42Å; D225-K242 HydrophobicContact CB-CG 4.18Å; D225-K242 WeakPolarHBondContact OD2-CE 3.33Å; D225-K242 IonicContact OD2-NZ 3.74Å; D225-K242 PolarHBondContact OD2-NZ 3.33Å; D228-K242 VanDerWaalsContact CG-NZ 3.29Å; D228-K242 WeakPolarHBondContact OD1-CE 3.38Å; D228-K242 IonicContact OD1-NZ 2.69Å; D228-K242 PolarHBondContact OD1-NZ 2.96Å; D228-K242 WeakPolarHBondContact OD2-CE 3.32Å; D228-K242 IonicContact OD2-NZ 3.97Å; D228-K242 PolarHBondContact OD2-NZ 3.12Å; D228-K242 VanDerWaalsContact OD2-NZ 3.13Å
243	I	91.7	Very high	81	Confident	65 Å²	65	77.3 Å²	77.3	33%	0.333	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	137.1	-169.9	-49.1	-178.3	0	0	0	110	R222 V223 I245 L287	R222-I243 WeakPolarHBondContact CA-O 3.04Å; V223-I243 HydrophobicContact CB-CB 4.14Å; V223-I243 HydrophobicContact CG2-CB 4.3Å; V223-I243 PolarHBondContact N-O 3.21Å; V223-I243 PolarHBondContact O-N 2.73Å; I243-I245 HydrophobicContact CG2-CG1 4.22Å; I243-L287 HydrophobicContact CD1-CD1 3.7Å; I243-L287 HydrophobicContact CG2-CB 4.14Å; I243-L287 HydrophobicContact CG2-CD1 3.73Å
244	V	93.8	Very high	83.2	Confident	29 Å²	29	74 Å²	74	18%	0.176	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.7	172.1	175	0	0	0	0	108.6	T220 R222 H241 K246	T220-V244 HydrophobicContact CG2-CG1 4.04Å; R222-V244 HydrophobicContact CG-CG2 4.18Å; H241-V244 WeakPolarHBondContact CD2-CG2 3.39Å; H241-V244 WeakPolarHBondContact NE2-CG2 3.38Å; V244-K246 HydrophobicContact CG1-CG 4.35Å
245	I	95.6	Very high	85.1	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.1	176.3	-53.8	179.3	0	0	0	107.7	T220 L221 I243 I269 W281 L287	T220-I245 CarbonylContact C-O 3.56Å; T220-I245 VanDerWaalsContact CA-O 3.27Å; T220-I245 WeakPolarHBondContact CA-O 3.31Å; L221-I245 HydrophobicContact CB-CB 4.15Å; L221-I245 HydrophobicContact CD1-CB 4.31Å; L221-I245 HydrophobicContact CD1-CG2 4.17Å; L221-I245 PolarHBondContact N-O 2.96Å; L221-I245 PolarHBondContact O-N 3.4Å; I243-I245 HydrophobicContact CG2-CG1 4.22Å; I245-I269 HydrophobicContact CD1-CD1 3.77Å; I245-I269 HydrophobicContact CD1-CG2 4.41Å; I245-W281 HydrophobicContact CG2-CD2 3.62Å; I245-W281 HydrophobicContact CG2-CE3 4.11Å; I245-W281 HydrophobicContact CG2-CG 4.14Å; I245-W281 HydrophobicContact CG2-CH2 3.92Å; I245-W281 HydrophobicContact CG2-CZ2 3.4Å; I245-W281 HydrophobicContact CG2-CZ3 4.25Å; I245-L287 HydrophobicContact CD1-CB 4.36Å; I245-L287 HydrophobicContact CD1-CD1 4.19Å; I245-L287 HydrophobicContact CD1-CD2 4.37Å; I245-L287 HydrophobicContact CG1-CB 4.16Å
246	K	95	Very high	87	Confident	66 Å²	66	60 Å²	60	29%	0.287	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.2	-177.8	-56.1	-177.4	-168.4	-175.1	0	109.5	D188 P189 V244	D188-K246 IonicContact OD1-NZ 3.95Å; D188-K246 PolarHBondContact OD1-NZ 3.06Å; D188-K246 IonicContact OD2-NZ 3.53Å; P189-K246 HydrophobicContact CG-CD 4.01Å; P189-K246 HydrophobicContact CG-CG 4.32Å; V244-K246 HydrophobicContact CG1-CG 4.35Å
247	T	95.1	Very high	88.7	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	29%	0.285	C	S	.	.			trans	-84.2	131.7	174.7	39.4	0	0	0	0	110.4	S219 L221 T255 P257 A271 W281	S219-T247 PolarHBondContact O-N 3.29Å; S219-T247 PolarHBondContact O-OG1 3.46Å; L221-T247 HydrophobicContact CD1-CG2 3.64Å; T247-T255 WeakPolarHBondContact CB-O 3.31Å; T247-T255 PolarHBondContact O-N 2.77Å; T247-T255 PolarHBondContact OG1-O 3.07Å; T247-P257 HydrophobicContact CG2-CB 4.3Å; T247-P257 HydrophobicContact CG2-CG 4.48Å; T247-P257 WeakPolarHBondContact OG1-CD 3.5Å; T247-A271 HydrophobicContact CG2-CB 4.3Å; T247-W281 HydrophobicContact CG2-CH2 3.63Å; T247-W281 HydrophobicContact CG2-CZ2 4.09Å
248	R	94	Very high	90.1	Very high	117 Å²	117	53.5 Å²	53.5	44%	0.442	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-125	143.4	-179.8	-60.8	-174.4	-176.9	-81.7	-0.7	110.7	G252 R253 Q279 R295	R248-G252 PolarHBondContact NH1-O 3.38Å; R248-R253 CarbonylContact C-O 3.6Å; R248-R253 WeakPolarHBondContact CA-O 3.27Å; R248-Q279 PolarHBondContact O-NE2 3.37Å; R248-R295 VanDerWaalsContact O-CZ 3.25Å; R248-R295 PolarHBondContact O-NH1 3.2Å; R248-R295 PolarHBondContact O-NH2 3.37Å
249	N	92.4	Very high	91.1	Very high	32 Å²	32	52 Å²	52	17%	0.171	26%	0.262	C	S	.	.			trans	-77.5	-179.9	171.7	73.9	3.3	0	0	0	111.9	Q251 G252 R253 D275 R295	N249-Q251 PolarHBondContact O-N 3.25Å; N249-Q251 WeakPolarHBondContact OD1-CA 3.36Å; N249-Q251 WeakPolarHBondContact OD1-CB 3.1Å; N249-Q251 PolarHBondContact OD1-N 2.99Å; N249-G252 PolarHBondContact O-N 2.83Å; N249-G252 PolarHBondContact OD1-N 2.99Å; N249-G252 VanDerWaalsContact OD1-N 3.08Å; N249-R253 PolarHBondContact N-O 3.19Å; N249-R253 WeakPolarHBondContact OD1-CA 3.41Å; N249-R253 WeakPolarHBondContact OD1-CB 3.4Å; N249-R253 PolarHBondContact OD1-N 3Å; N249-R253 PolarHBondContact OD1-O 3.19Å; N249-D275 WeakPolarHBondContact CA-OD2 3.46Å; N249-D275 VanDerWaalsContact CB-OD2 3.31Å; N249-D275 WeakPolarHBondContact CB-OD2 3.19Å; N249-R295 VanDerWaalsContact CA-NH1 3.28Å; N249-R295 PolarHBondContact O-NH2 3.41Å
250	A	89.7	Confident	92.1	Very high	79 Å²	79	52 Å²	52	65%	0.653	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.8	178.9	0	0	0	0	0	113.9	G252	A250-G252 VanDerWaalsContact C-N 3.29Å
251	Q	90.6	Very high	93.1	Very high	143 Å²	143	49.4 Å²	49.4	67%	0.668	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	3.8	175.7	-60.7	175.9	-3	0	0	113	N249 R253	N249-Q251 PolarHBondContact O-N 3.25Å; N249-Q251 WeakPolarHBondContact OD1-CA 3.36Å; N249-Q251 WeakPolarHBondContact OD1-CB 3.1Å; N249-Q251 PolarHBondContact OD1-N 2.99Å; Q251-R253 HydrophobicContact CB-CG 4.32Å; Q251-R253 PolarHBondContact O-N 3.01Å
252	G	88.1	Confident	93.7	Very high	38 Å²	38	47.7 Å²	47.7	39%	0.392	24%	0.238	S	C	.	.	S	Bend	trans	77.5	0.7	-176.8	0	0	0	0	0	115.2	R248 N249 A250	R248-G252 PolarHBondContact NH1-O 3.38Å; N249-G252 PolarHBondContact O-N 2.83Å; N249-G252 PolarHBondContact OD1-N 2.99Å; N249-G252 VanDerWaalsContact OD1-N 3.08Å; A250-G252 VanDerWaalsContact C-N 3.29Å
253	R	92.2	Very high	94.2	Very high	170 Å²	170	43.2 Å²	43.2	64%	0.642	22%	0.219	S	C	*	.			trans	-76.8	157.7	176.4	-58	-177.6	176.5	-171.6	-0.6	110.6	R248 N249 Q251	R248-R253 CarbonylContact C-O 3.6Å; R248-R253 WeakPolarHBondContact CA-O 3.27Å; N249-R253 PolarHBondContact N-O 3.19Å; N249-R253 WeakPolarHBondContact OD1-CA 3.41Å; N249-R253 WeakPolarHBondContact OD1-CB 3.4Å; N249-R253 PolarHBondContact OD1-N 3Å; N249-R253 PolarHBondContact OD1-O 3.19Å; Q251-R253 HydrophobicContact CB-CG 4.32Å; Q251-R253 PolarHBondContact O-N 3.01Å
254	K	93.6	Very high	94.3	Very high	116 Å²	116	43.6 Å²	43.6	50%	0.504	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-59.9	136	175.5	-70.3	177.6	-179.7	-177.8	0	110.3	T187 S219	T187-K254 PolarHBondContact O-NZ 3.27Å; S219-K254 WeakPolarHBondContact OG-CB 3.4Å; S219-K254 WeakPolarHBondContact OG-CD 3.39Å; S219-K254 WeakPolarHBondContact OG-CG 3.45Å
255	T	94.8	Very high	94.3	Very high	14 Å²	14	45.1 Å²	45.1	9%	0.086	23%	0.225	C	C	.	.			trans	-130.1	140.3	173.1	-173.1	0	0	0	0	109.5	S219 T247 C273	S219-T255 WeakPolarHBondContact CA-O 3.35Å; S219-T255 WeakPolarHBondContact CB-O 3.45Å; T247-T255 WeakPolarHBondContact CB-O 3.31Å; T247-T255 PolarHBondContact O-N 2.77Å; T247-T255 PolarHBondContact OG1-O 3.07Å; T255-C273 HydrophobicContact CG2-CB 3.92Å
256	S	95.6	Very high	94.2	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.063	23%	0.227	C	C	.	.			trans	-78.6	128.5	-177.3	-179.5	0	0	0	0	111.2	H200 Q217 C273 Q274	H200-S256 PolarHBondContact NE2-OG 2.62Å; Q217-S256 WeakPolarHBondContact CA-OG 3.34Å; S256-C273 CarbonylContact O-C 3.19Å; S256-C273 WeakPolarHBondContact O-CA 3.34Å; S256-Q274 VanDerWaalsContact CB-OE1 3.25Å; S256-Q274 WeakPolarHBondContact O-CG 3.2Å; S256-Q274 PolarHBondContact O-N 3.13Å
257	P	96.9	Very high	94.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	125.1	166.9	30.3	-31	0	0	0	110.9	H200 C215 S216 L221 T247 A271 G272	H200-P257 PolarHBondContact CD2-O 3.44Å; C215-P257 HydrophobicContact CB-CB 4.09Å; C215-P257 HydrophobicContact CB-CG 3.88Å; S216-P257 WeakPolarHBondContact O-CD 3.41Å; L221-P257 HydrophobicContact CD1-CB 4.32Å; L221-P257 HydrophobicContact CD1-CG 4.24Å; L221-P257 HydrophobicContact CG-CB 4.47Å; L221-P257 HydrophobicContact CG-CG 4.28Å; T247-P257 HydrophobicContact CG2-CB 4.3Å; T247-P257 HydrophobicContact CG2-CG 4.48Å; T247-P257 WeakPolarHBondContact OG1-CD 3.5Å; P257-A271 HydrophobicContact CB-CB 4.31Å; P257-G272 CarbonylContact C-O 3.46Å; P257-G272 WeakPolarHBondContact CA-O 3.4Å
258	T	96.4	Very high	94.3	Very high	16 Å²	16	47 Å²	47	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-29.8	174.8	42.2	0	0	0	0	112.9	H200 G272 Q274 D303 I304	H200-T258 WeakPolarHBondContact CB-O 3.35Å; T258-G272 PolarHBondContact N-O 2.96Å; T258-G272 PolarHBondContact OG1-O 2.84Å; T258-Q274 HydrophobicContact CG2-CG 3.39Å; T258-D303 HydrophobicContact CG2-CB 4.18Å; T258-I304 WeakPolarHBondContact CB-O 3.45Å; T258-I304 PolarHBondContact OG1-N 2.96Å; T258-I304 PolarHBondContact OG1-O 3.46Å
259	S	96.4	Very high	94.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	151.2	179.9	51.5	0	0	0	0	110.9	A271 G272 I304 T305	S259-A271 WeakPolarHBondContact O-CA 3.23Å; S259-G272 PolarHBondContact N-O 2.93Å; S259-G272 PolarHBondContact O-N 2.98Å; S259-I304 PolarHBondContact OG-O 3.43Å; S259-T305 WeakPolarHBondContact CB-O 3.42Å
260	C	96.8	Very high	94.6	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.007	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	144.9	176.8	65.9	0	0	0	0	111.7	W201 L213 C215 L221 A270	W201-C260 VanDerWaalsContact CD1-O 3.26Å; L213-C260 HydrophobicContact CD2-CB 3.91Å; C215-C260 HydrophobicContact CB-CB 4.02Å; L221-C260 HydrophobicContact CD2-CB 3.29Å; C260-A270 VanDerWaalsContact CA-O 3.29Å; C260-A270 WeakPolarHBondContact CA-O 3.25Å
261	A	96.9	Very high	95	Very high	5 Å²	5	36.1 Å²	36.1	4%	0.041	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	140.2	177.2	0	0	0	0	0	112	M203 A270 V307 W309	M203-A261 HydrophobicContact CE-CB 4.4Å; M203-A261 HydrophobicContact SD-CB 4.17Å; A261-A270 PolarHBondContact N-O 2.86Å; A261-A270 PolarHBondContact O-N 2.81Å; A261-V307 WeakPolarHBondContact CB-O 3.35Å; A261-W309 PolarHBondContact O-NE1 2.83Å
262	Y	96.7	Very high	95.3	Very high	7 Å²	7	29.3 Å²	29.3	3%	0.027	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	145.3	160.3	-73.2	-79	0	0	0	110.6	M203 H205 L213 V223 L268 I269 T283 W309	M203-Y262 VanDerWaalsContact CE-CB 3.42Å; M203-Y262 HydrophobicContact CE-CD2 3.83Å; M203-Y262 HydrophobicContact CE-CG 4.1Å; H205-Y262 HydrophobicContact CB-CE2 4.23Å; H205-Y262 AromaticContact CD2-CE1 3.81Å; L213-Y262 HydrophobicContact CB-CD2 4.15Å; L213-Y262 HydrophobicContact CB-CE2 3.37Å; L213-Y262 HydrophobicContact CD2-CD2 4.24Å; L213-Y262 HydrophobicContact CD2-CE2 4.06Å; L213-Y262 HydrophobicContact CG-CE2 4.28Å; V223-Y262 WeakPolarHBondContact CG2-OH 3.34Å; Y262-L268 CarbonylContact C-O 3.6Å; Y262-L268 WeakPolarHBondContact CA-O 3.44Å; Y262-I269 HydrophobicContact CD1-CD1 4.34Å; Y262-I269 HydrophobicContact CD1-CG1 3.58Å; Y262-I269 HydrophobicContact CE1-CD1 3.62Å; Y262-I269 HydrophobicContact CE1-CG1 3.37Å; Y262-T283 HydrophobicContact CE1-CG2 4.36Å; Y262-W309 VanDerWaalsContact C-CD1 3.42Å
263	S	96.1	Very high	95.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.126	C	C	.	.			trans	-62.1	154.7	159	55.7	0	0	0	0	110.2	P206 D265 G266 Q267 L268	P206-S263 WeakPolarHBondContact CG-O 3.31Å; S263-D265 WeakPolarHBondContact CB-OD1 3.38Å; S263-D265 PolarHBondContact O-N 2.9Å; S263-D265 PolarHBondContact OG-OD1 2.83Å; S263-G266 WeakPolarHBondContact O-CA 3.09Å; S263-G266 PolarHBondContact O-N 3.46Å; S263-Q267 PolarHBondContact OG-N 2.85Å; S263-L268 PolarHBondContact N-O 3.33Å; S263-L268 PolarHBondContact OG-N 3.09Å; S263-L268 PolarHBondContact OG-O 2.98Å
264	K	94	Very high	95.8	Very high	73 Å²	73	22.3 Å²	22.3	32%	0.317	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.1	-175	-60.4	-60.6	-170.3	176.1	0	113	P206 G266 W311 S313	P206-K264 WeakPolarHBondContact CG-O 3.39Å; K264-G266 VanDerWaalsContact C-N 3.28Å; K264-W311 HydrophobicContact CD-CE3 4.1Å; K264-W311 HydrophobicContact CD-CZ3 4.13Å; K264-W311 HydrophobicContact CG-CD2 4.47Å; K264-W311 HydrophobicContact CG-CE3 4.03Å; K264-S313 PolarHBondContact N-OG 2.96Å; K264-S313 VanDerWaalsContact N-OG 3.17Å
265	D	93.8	Very high	95.7	Very high	60 Å²	60	18.2 Å²	18.2	32%	0.321	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.3	170.1	67.8	-4.2	0	0	0	114.1	S263 Q267 S313	S263-D265 WeakPolarHBondContact CB-OD1 3.38Å; S263-D265 PolarHBondContact O-N 2.9Å; S263-D265 PolarHBondContact OG-OD1 2.83Å; D265-Q267 HydrophobicContact CB-CG 4.28Å; D265-Q267 PolarHBondContact O-N 2.87Å; D265-Q267 PolarHBondContact OD1-N 2.86Å; D265-S313 PolarHBondContact N-OG 3.08Å
266	G	93.7	Very high	95.7	Very high	4 Å²	4	17.6 Å²	17.6	4%	0.041	9%	0.089	C	C	.	.	S	Bend	trans	73.3	1.8	-177.8	0	0	0	0	0	115	S263 K264 T283	S263-G266 WeakPolarHBondContact O-CA 3.09Å; S263-G266 PolarHBondContact O-N 3.46Å; K264-G266 VanDerWaalsContact C-N 3.28Å; G266-T283 PolarHBondContact O-OG1 2.8Å
267	Q	94.6	Very high	95.7	Very high	73 Å²	73	17.1 Å²	17.1	34%	0.341	9%	0.086	S	C	.	.	S	Bend	trans	-83.8	-26.7	-171.6	-61.6	-171.3	8.7	0	0	113.5	S263 D265 T283	S263-Q267 PolarHBondContact OG-N 2.85Å; D265-Q267 HydrophobicContact CB-CG 4.28Å; D265-Q267 PolarHBondContact O-N 2.87Å; D265-Q267 PolarHBondContact OD1-N 2.86Å; Q267-T283 VanDerWaalsContact C-OG1 3.3Å; Q267-T283 WeakPolarHBondContact CA-OG1 3.43Å; Q267-T283 WeakPolarHBondContact O-CB 3.41Å; Q267-T283 WeakPolarHBondContact O-CG2 3.08Å; Q267-T283 PolarHBondContact O-N 3.02Å; Q267-T283 PolarHBondContact O-OG1 2.83Å
268	L	95.9	Very high	95.7	Very high	29 Å²	29	17.1 Å²	17.1	15%	0.152	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.1	-176.9	-57.6	177	0	0	0	110.4	Y262 S263 I280 W281 D282 W309	Y262-L268 CarbonylContact C-O 3.6Å; Y262-L268 WeakPolarHBondContact CA-O 3.44Å; S263-L268 PolarHBondContact N-O 3.33Å; S263-L268 PolarHBondContact OG-N 3.09Å; S263-L268 PolarHBondContact OG-O 2.98Å; L268-I280 HydrophobicContact CB-CG2 4.2Å; L268-I280 HydrophobicContact CD2-CG2 4.44Å; L268-W281 CarbonylContact C-O 3.59Å; L268-W281 WeakPolarHBondContact CA-O 3.36Å; L268-D282 HydrophobicContact CD2-CB 3.96Å; L268-W309 HydrophobicContact CB-CH2 3.7Å; L268-W309 HydrophobicContact CB-CZ2 3.82Å; L268-W309 HydrophobicContact CD1-CH2 3.49Å; L268-W309 VanDerWaalsContact CD1-CH2 3.49Å; L268-W309 HydrophobicContact CD1-CZ2 4.44Å; L268-W309 HydrophobicContact CD1-CZ3 3.93Å; L268-W309 HydrophobicContact CG-CH2 4.23Å
269	I	97	Very high	95.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.2	169.5	-64.1	168.3	0	0	0	107.1	L213 L221 V223 I245 Y262 I280 W281 T283 L287	L213-I269 HydrophobicContact CD1-CG2 4.41Å; L213-I269 HydrophobicContact CD2-CG2 3.75Å; L221-I269 HydrophobicContact CD2-CG2 4.44Å; V223-I269 HydrophobicContact CG2-CD1 4.36Å; I245-I269 HydrophobicContact CD1-CD1 3.77Å; I245-I269 HydrophobicContact CD1-CG2 4.41Å; Y262-I269 HydrophobicContact CD1-CD1 4.34Å; Y262-I269 HydrophobicContact CD1-CG1 3.58Å; Y262-I269 HydrophobicContact CE1-CD1 3.62Å; Y262-I269 HydrophobicContact CE1-CG1 3.37Å; I269-I280 CarbonylContact O-C 3.56Å; I269-I280 VanDerWaalsContact O-CA 3.24Å; I269-I280 WeakPolarHBondContact O-CA 3.36Å; I269-W281 HydrophobicContact CB-CE3 4.47Å; I269-W281 HydrophobicContact CG2-CE3 4.22Å; I269-W281 PolarHBondContact N-O 3.39Å; I269-W281 PolarHBondContact O-N 3.46Å; I269-T283 HydrophobicContact CD1-CG2 3.82Å; I269-T283 HydrophobicContact CG1-CG2 3.86Å; I269-L287 HydrophobicContact CD1-CD1 4.44Å
270	A	97.1	Very high	95.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.1	170.9	0	0	0	0	0	110.7	C260 A261 Q279 I280 V307 W309 L316	C260-A270 VanDerWaalsContact CA-O 3.29Å; C260-A270 WeakPolarHBondContact CA-O 3.25Å; A261-A270 PolarHBondContact N-O 2.86Å; A261-A270 PolarHBondContact O-N 2.81Å; A270-Q279 CarbonylContact C-O 3.59Å; A270-Q279 WeakPolarHBondContact CA-O 3.47Å; A270-I280 HydrophobicContact CB-CG1 4.16Å; A270-V307 HydrophobicContact CB-CG1 3.8Å; A270-W309 HydrophobicContact CB-CZ2 3.85Å; A270-L316 HydrophobicContact CB-CD1 4.15Å; A270-L316 HydrophobicContact CB-CD2 4.26Å
271	A	97.3	Very high	95.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.2	169.8	0	0	0	0	0	110.6	L221 T247 P257 S259 I278 Q279 W281	L221-A271 HydrophobicContact CD1-CB 3.87Å; L221-A271 HydrophobicContact CD2-CB 3.86Å; L221-A271 HydrophobicContact CG-CB 4.47Å; T247-A271 HydrophobicContact CG2-CB 4.3Å; P257-A271 HydrophobicContact CB-CB 4.31Å; S259-A271 WeakPolarHBondContact O-CA 3.23Å; A271-I278 WeakPolarHBondContact O-CA 3.47Å; A271-Q279 PolarHBondContact N-O 3.41Å; A271-Q279 PolarHBondContact O-N 2.82Å; A271-W281 HydrophobicContact CB-CH2 3.78Å; A271-W281 HydrophobicContact CB-CZ3 3.54Å
272	G	96.4	Very high	95.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.4	166.4	0	0	0	0	0	109.5	P257 T258 S259	P257-G272 CarbonylContact C-O 3.46Å; P257-G272 WeakPolarHBondContact CA-O 3.4Å; T258-G272 PolarHBondContact N-O 2.96Å; T258-G272 PolarHBondContact OG1-O 2.84Å; S259-G272 PolarHBondContact N-O 2.93Å; S259-G272 PolarHBondContact O-N 2.98Å
273	C	96.4	Very high	95.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	157.1	-176.4	-61	0	0	0	0	112.1	T255 S256 D275 G276 S277	T255-C273 HydrophobicContact CG2-CB 3.92Å; S256-C273 CarbonylContact O-C 3.19Å; S256-C273 WeakPolarHBondContact O-CA 3.34Å; C273-D275 WeakPolarHBondContact CB-OD1 3.43Å; C273-D275 PolarHBondContact O-N 2.69Å; C273-G276 PolarHBondContact O-N 2.91Å; C273-S277 PolarHBondContact N-O 3.32Å
274	Q	94.4	Very high	95.2	Very high	62 Å²	62	26.9 Å²	26.9	29%	0.29	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.3	177.4	-67.5	-172.6	-36	0	0	114.3	S256 T258 G276 T302 D303	S256-Q274 VanDerWaalsContact CB-OE1 3.25Å; S256-Q274 WeakPolarHBondContact O-CG 3.2Å; S256-Q274 PolarHBondContact O-N 3.13Å; T258-Q274 HydrophobicContact CG2-CG 3.39Å; Q274-G276 PolarHBondContact O-N 2.91Å; Q274-T302 CarbonylContact O-C 3.51Å; Q274-D303 VanDerWaalsContact CA-OD1 3.3Å; Q274-D303 WeakPolarHBondContact CA-OD1 3.4Å; Q274-D303 VanDerWaalsContact CB-OD1 3.27Å; Q274-D303 WeakPolarHBondContact CB-OD1 3.41Å; Q274-D303 VanDerWaalsContact CG-OD1 3.26Å; Q274-D303 WeakPolarHBondContact CG-OD1 3.33Å
275	D	93.3	Very high	95.2	Very high	30 Å²	30	28.6 Å²	28.6	16%	0.16	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	3.1	176.4	66.7	-14.1	0	0	0	113.2	N249 C273 S277	N249-D275 WeakPolarHBondContact CA-OD2 3.46Å; N249-D275 VanDerWaalsContact CB-OD2 3.31Å; N249-D275 WeakPolarHBondContact CB-OD2 3.19Å; C273-D275 WeakPolarHBondContact CB-OD1 3.43Å; C273-D275 PolarHBondContact O-N 2.69Å; D275-S277 VanDerWaalsContact C-N 3.3Å; D275-S277 VanDerWaalsContact CG-OG 3.31Å; D275-S277 VanDerWaalsContact OD1-CB 3.26Å; D275-S277 WeakPolarHBondContact OD1-CB 3.4Å; D275-S277 PolarHBondContact OD1-N 3.27Å; D275-S277 VanDerWaalsContact OD1-N 3.11Å; D275-S277 PolarHBondContact OD1-OG 3.34Å; D275-S277 PolarHBondContact OD2-OG 2.79Å
276	G	93.7	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	78.6	11.5	-175	0	0	0	0	0	113.5	C273 Q274 A297 H298 T302	C273-G276 PolarHBondContact O-N 2.91Å; Q274-G276 PolarHBondContact O-N 2.91Å; G276-A297 WeakPolarHBondContact O-CB 3.24Å; G276-A297 PolarHBondContact O-N 3Å; G276-H298 PolarHBondContact O-N 3.28Å; G276-T302 VanDerWaalsContact CA-O 3.31Å; G276-T302 WeakPolarHBondContact CA-O 3.42Å; G276-T302 PolarHBondContact N-O 3.1Å
277	S	95.2	Very high	94.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.			trans	-91.8	144	177.8	73.3	0	0	0	0	113.2	C273 D275 Q279 C294	C273-S277 PolarHBondContact N-O 3.32Å; D275-S277 VanDerWaalsContact C-N 3.3Å; D275-S277 VanDerWaalsContact CG-OG 3.31Å; D275-S277 VanDerWaalsContact OD1-CB 3.26Å; D275-S277 WeakPolarHBondContact OD1-CB 3.4Å; D275-S277 PolarHBondContact OD1-N 3.27Å; D275-S277 VanDerWaalsContact OD1-N 3.11Å; D275-S277 PolarHBondContact OD1-OG 3.34Å; D275-S277 PolarHBondContact OD2-OG 2.79Å; S277-Q279 PolarHBondContact OG-NE2 3.5Å; S277-C294 VanDerWaalsContact CA-O 3.29Å; S277-C294 WeakPolarHBondContact CA-O 3.49Å; S277-C294 WeakPolarHBondContact CB-O 3.38Å
278	I	96.7	Very high	94.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.5	170.3	-60.7	170.3	0	0	0	108.1	A271 I280 I293 C294 A297 I304 L316 W329 L334	A271-I278 WeakPolarHBondContact O-CA 3.47Å; I278-I280 HydrophobicContact CG2-CG1 4.29Å; I278-I293 WeakPolarHBondContact O-CA 3.44Å; I278-C294 PolarHBondContact N-O 3.23Å; I278-C294 PolarHBondContact O-N 2.78Å; I278-A297 HydrophobicContact CB-CB 4.29Å; I278-A297 HydrophobicContact CD1-CB 3.6Å; I278-A297 HydrophobicContact CG1-CB 3.67Å; I278-I304 HydrophobicContact CG1-CD1 3.76Å; I278-L316 HydrophobicContact CG2-CD2 3.8Å; I278-W329 HydrophobicContact CD1-CD2 4.44Å; I278-W329 HydrophobicContact CD1-CZ2 4.27Å; I278-L334 HydrophobicContact CB-CD2 4.44Å; I278-L334 HydrophobicContact CG2-CD2 4.15Å
279	Q	96	Very high	94.2	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.1	-179.1	-54.6	-172.4	28.2	0	0	108.9	R248 A270 A271 S277 W281 T290 I293	R248-Q279 PolarHBondContact O-NE2 3.37Å; A270-Q279 CarbonylContact C-O 3.59Å; A270-Q279 WeakPolarHBondContact CA-O 3.47Å; A271-Q279 PolarHBondContact N-O 3.41Å; A271-Q279 PolarHBondContact O-N 2.82Å; S277-Q279 PolarHBondContact OG-NE2 3.5Å; Q279-W281 HydrophobicContact CB-CH2 3.4Å; Q279-W281 HydrophobicContact CB-CZ2 3.82Å; Q279-W281 HydrophobicContact CB-CZ3 3.89Å; Q279-W281 HydrophobicContact CG-CH2 4.48Å; Q279-W281 VanDerWaalsContact O-CZ3 3.25Å; Q279-W281 WeakPolarHBondContact O-CZ3 3.25Å; Q279-T290 HydrophobicContact CB-CG2 4.09Å; Q279-I293 HydrophobicContact CG-CD1 3.73Å; Q279-I293 HydrophobicContact CG-CG1 4.04Å
280	I	96.7	Very high	94	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.8	-178.5	-55.6	179.4	0	0	0	109.9	L268 I269 A270 I278 T291 Q292 W309 L316 L334	L268-I280 HydrophobicContact CB-CG2 4.2Å; L268-I280 HydrophobicContact CD2-CG2 4.44Å; I269-I280 CarbonylContact O-C 3.56Å; I269-I280 VanDerWaalsContact O-CA 3.24Å; I269-I280 WeakPolarHBondContact O-CA 3.36Å; A270-I280 HydrophobicContact CB-CG1 4.16Å; I278-I280 HydrophobicContact CG2-CG1 4.29Å; I280-T291 PolarHBondContact O-N 2.77Å; I280-Q292 HydrophobicContact CB-CB 4.29Å; I280-Q292 PolarHBondContact N-O 3.46Å; I280-Q292 PolarHBondContact O-N 3.07Å; I280-Q292 VanDerWaalsContact O-N 3.15Å; I280-W309 HydrophobicContact CD1-CH2 4.42Å; I280-L316 HydrophobicContact CD1-CD2 4.27Å; I280-L334 HydrophobicContact CD1-CD1 4.49Å; I280-L334 HydrophobicContact CD1-CD2 3.92Å; I280-L334 HydrophobicContact CG1-CD2 4.27Å
281	W	96	Very high	93.8	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.4	174.4	-56.3	-101.4	0	0	0	111	L221 I245 T247 L268 I269 A271 Q279 L287 T290	L221-W281 HydrophobicContact CD1-CH2 3.98Å; L221-W281 HydrophobicContact CD1-CZ3 4.22Å; I245-W281 HydrophobicContact CG2-CD2 3.62Å; I245-W281 HydrophobicContact CG2-CE3 4.11Å; I245-W281 HydrophobicContact CG2-CG 4.14Å; I245-W281 HydrophobicContact CG2-CH2 3.92Å; I245-W281 HydrophobicContact CG2-CZ2 3.4Å; I245-W281 HydrophobicContact CG2-CZ3 4.25Å; T247-W281 HydrophobicContact CG2-CH2 3.63Å; T247-W281 HydrophobicContact CG2-CZ2 4.09Å; L268-W281 CarbonylContact C-O 3.59Å; L268-W281 WeakPolarHBondContact CA-O 3.36Å; I269-W281 HydrophobicContact CB-CE3 4.47Å; I269-W281 HydrophobicContact CG2-CE3 4.22Å; I269-W281 PolarHBondContact N-O 3.39Å; I269-W281 PolarHBondContact O-N 3.46Å; A271-W281 HydrophobicContact CB-CH2 3.78Å; A271-W281 HydrophobicContact CB-CZ3 3.54Å; Q279-W281 HydrophobicContact CB-CH2 3.4Å; Q279-W281 HydrophobicContact CB-CZ2 3.82Å; Q279-W281 HydrophobicContact CB-CZ3 3.89Å; Q279-W281 HydrophobicContact CG-CH2 4.48Å; Q279-W281 VanDerWaalsContact O-CZ3 3.25Å; Q279-W281 WeakPolarHBondContact O-CZ3 3.25Å; W281-L287 HydrophobicContact CB-CD2 3.38Å; W281-L287 HydrophobicContact CG-CD2 4.25Å; W281-T290 HydrophobicContact CZ2-CG2 3.75Å
282	D	95	Very high	93.5	Very high	9 Å²	9	46 Å²	46	5%	0.048	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119.6	172.9	-172.4	-17.2	0	0	0	109.4	L268 R284 K285 L287 T291	L268-D282 HydrophobicContact CD2-CB 3.96Å; D282-R284 PolarHBondContact O-N 2.87Å; D282-R284 WeakPolarHBondContact OD1-CB 3.29Å; D282-R284 IonicContact OD1-CZ 3.71Å; D282-R284 PolarHBondContact OD1-N 3.31Å; D282-R284 IonicContact OD1-NE 3.35Å; D282-R284 PolarHBondContact OD1-NE 2.97Å; D282-R284 IonicContact OD1-NH2 3.91Å; D282-R284 IonicContact OD2-CZ 3.65Å; D282-R284 IonicContact OD2-NE 2.89Å; D282-R284 PolarHBondContact OD2-NE 3.41Å; D282-R284 IonicContact OD2-NH2 3.55Å; D282-R284 PolarHBondContact OD2-NH2 2.86Å; D282-K285 HydrophobicContact CB-CB 4.35Å; D282-K285 HydrophobicContact CB-CD 4.15Å; D282-K285 HydrophobicContact CB-CG 4.24Å; D282-K285 PolarHBondContact O-N 3.17Å; D282-K285 VanDerWaalsContact O-N 3.07Å; D282-L287 WeakPolarHBondContact O-CD2 3.23Å; D282-T291 HydrophobicContact CB-CG2 4.28Å; D282-T291 PolarHBondContact N-OG1 3.16Å
283	T	93.5	Very high	93.4	Very high	51 Å²	51	48.5 Å²	48.5	31%	0.313	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.8	-178.7	60.1	0	0	0	0	113.3	Y262 G266 Q267 I269 K285	Y262-T283 HydrophobicContact CE1-CG2 4.36Å; G266-T283 PolarHBondContact O-OG1 2.8Å; Q267-T283 VanDerWaalsContact C-OG1 3.3Å; Q267-T283 WeakPolarHBondContact CA-OG1 3.43Å; Q267-T283 WeakPolarHBondContact O-CB 3.41Å; Q267-T283 WeakPolarHBondContact O-CG2 3.08Å; Q267-T283 PolarHBondContact O-N 3.02Å; Q267-T283 PolarHBondContact O-OG1 2.83Å; I269-T283 HydrophobicContact CD1-CG2 3.82Å; I269-T283 HydrophobicContact CG1-CG2 3.86Å; T283-K285 VanDerWaalsContact C-N 3.26Å
284	R	92.9	Very high	93.3	Very high	167 Å²	167	48.9 Å²	48.9	63%	0.63	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.4	175.8	-56	169.2	-63.5	-173.7	4.4	112.2	D282	D282-R284 PolarHBondContact O-N 2.87Å; D282-R284 WeakPolarHBondContact OD1-CB 3.29Å; D282-R284 IonicContact OD1-CZ 3.71Å; D282-R284 PolarHBondContact OD1-N 3.31Å; D282-R284 IonicContact OD1-NE 3.35Å; D282-R284 PolarHBondContact OD1-NE 2.97Å; D282-R284 IonicContact OD1-NH2 3.91Å; D282-R284 IonicContact OD2-CZ 3.65Å; D282-R284 IonicContact OD2-NE 2.89Å; D282-R284 PolarHBondContact OD2-NE 3.41Å; D282-R284 IonicContact OD2-NH2 3.55Å; D282-R284 PolarHBondContact OD2-NH2 2.86Å
285	K	93.1	Very high	93.2	Very high	110 Å²	110	49.8 Å²	49.8	48%	0.478	26%	0.256	S	S	.	.	S	Bend	trans	-106.6	161	179	-65.9	-178	-172.5	173	0	109.7	D282 T283 L287	D282-K285 HydrophobicContact CB-CB 4.35Å; D282-K285 HydrophobicContact CB-CD 4.15Å; D282-K285 HydrophobicContact CB-CG 4.24Å; D282-K285 PolarHBondContact O-N 3.17Å; D282-K285 VanDerWaalsContact O-N 3.07Å; T283-K285 VanDerWaalsContact C-N 3.26Å; K285-L287 PolarHBondContact O-N 3.2Å; K285-L287 VanDerWaalsContact O-N 3.08Å
286	P	88.5	Confident	93.1	Very high	109 Å²	109	54.1 Å²	54.1	71%	0.708	28%	0.284	S	S	*	.			trans	-59.1	118.9	168.9	24.8	-33.9	0	0	0	109.5	V288	P286-V288 HydrophobicContact CB-CG2 4.44Å; P286-V288 PolarHBondContact O-N 3.15Å
287	L	90.4	Very high	93.1	Very high	16 Å²	16	54.1 Å²	54.1	8%	0.084	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	20.5	-175.6	-66.6	167.4	0	0	0	114.1	I243 I245 I269 W281 D282 K285	I243-L287 HydrophobicContact CD1-CD1 3.7Å; I243-L287 HydrophobicContact CG2-CB 4.14Å; I243-L287 HydrophobicContact CG2-CD1 3.73Å; I245-L287 HydrophobicContact CD1-CB 4.36Å; I245-L287 HydrophobicContact CD1-CD1 4.19Å; I245-L287 HydrophobicContact CD1-CD2 4.37Å; I245-L287 HydrophobicContact CG1-CB 4.16Å; I269-L287 HydrophobicContact CD1-CD1 4.44Å; W281-L287 HydrophobicContact CB-CD2 3.38Å; W281-L287 HydrophobicContact CG-CD2 4.25Å; D282-L287 WeakPolarHBondContact O-CD2 3.23Å; K285-L287 PolarHBondContact O-N 3.2Å; K285-L287 VanDerWaalsContact O-N 3.08Å
288	V	88	Confident	93.1	Very high	119 Å²	119	54.3 Å²	54.3	72%	0.721	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-42.6	179.7	-178.9	0	0	0	0	110.9	P286	P286-V288 HydrophobicContact CB-CG2 4.44Å; P286-V288 PolarHBondContact O-N 3.15Å
289	N	90	Very high	92.9	Very high	125 Å²	125	57.7 Å²	57.7	67%	0.668	31%	0.307	S	S	*	.	S	Bend	trans	-110.2	140.8	-178.2	-69.3	-23.7	0	0	0	110.5	T291	N289-T291 PolarHBondContact O-N 3.45Å
290	T	92.6	Very high	92.6	Very high	53 Å²	53	65.5 Å²	65.5	33%	0.325	35%	0.345	S	S	.	.			trans	-63	129.7	172.4	50.2	0	0	0	0	109.7	Q279 W281 I293	Q279-T290 HydrophobicContact CB-CG2 4.09Å; W281-T290 HydrophobicContact CZ2-CG2 3.75Å; T290-I293 HydrophobicContact CG2-CD1 4.3Å
291	T	92.7	Very high	92.2	Very high	55 Å²	55	71.5 Å²	71.5	34%	0.337	38%	0.377	S	S	.	.	S	Bend	trans	-76.9	-39.2	175.8	-60.2	0	0	0	0	110.7	I280 D282 N289	I280-T291 PolarHBondContact O-N 2.77Å; D282-T291 HydrophobicContact CB-CG2 4.28Å; D282-T291 PolarHBondContact N-OG1 3.16Å; N289-T291 PolarHBondContact O-N 3.45Å
292	Q	92.9	Very high	92.1	Very high	54 Å²	54	71.6 Å²	71.6	25%	0.252	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151	173.2	-59.7	-176.8	8.1	0	0	110.5	I280 T331 L334	I280-Q292 HydrophobicContact CB-CB 4.29Å; I280-Q292 PolarHBondContact N-O 3.46Å; I280-Q292 PolarHBondContact O-N 3.07Å; I280-Q292 VanDerWaalsContact O-N 3.15Å; Q292-T331 PolarHBondContact NE2-O 2.84Å; Q292-T331 PolarHBondContact OE1-O 2.81Å; Q292-L334 HydrophobicContact CB-CD2 4.37Å
293	I	93.8	Very high	92	Very high	52 Å²	52	72.8 Å²	72.8	27%	0.267	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	135.6	-177.7	-167.7	151.9	0	0	0	110.9	I278 Q279 T290 R295	I278-I293 WeakPolarHBondContact O-CA 3.44Å; Q279-I293 HydrophobicContact CG-CD1 3.73Å; Q279-I293 HydrophobicContact CG-CG1 4.04Å; T290-I293 HydrophobicContact CG2-CD1 4.3Å; I293-R295 VanDerWaalsContact CD1-NE 3.29Å; I293-R295 HydrophobicContact CG1-CG 4.43Å
294	C	94.5	Very high	92.2	Very high	9 Å²	9	70.4 Å²	70.4	6%	0.061	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	107.7	168.5	-179.1	0	0	0	0	108.6	S277 I278 A297 L334	S277-C294 VanDerWaalsContact CA-O 3.29Å; S277-C294 WeakPolarHBondContact CA-O 3.49Å; S277-C294 WeakPolarHBondContact CB-O 3.38Å; I278-C294 PolarHBondContact N-O 3.23Å; I278-C294 PolarHBondContact O-N 2.78Å; C294-A297 HydrophobicContact CB-CB 4.23Å; C294-L334 HydrophobicContact CB-CD1 4.49Å; C294-L334 HydrophobicContact CB-CD2 3.78Å; C294-L334 HydrophobicContact CB-CG 3.68Å
295	R	92	Very high	92.3	Very high	80 Å²	80	62.5 Å²	62.5	30%	0.302	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-28.1	-177.5	-63.9	-57.8	-167.7	174.9	-2.2	113.1	R248 N249 I293	R248-R295 VanDerWaalsContact O-CZ 3.25Å; R248-R295 PolarHBondContact O-NH1 3.2Å; R248-R295 PolarHBondContact O-NH2 3.37Å; N249-R295 VanDerWaalsContact CA-NH1 3.28Å; N249-R295 PolarHBondContact O-NH2 3.41Å; I293-R295 VanDerWaalsContact CD1-NE 3.29Å; I293-R295 HydrophobicContact CG1-CG 4.43Å
296	T	91.7	Very high	92.4	Very high	121 Å²	121	57.7 Å²	57.7	74%	0.742	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	32.7	-175.4	56.5	0	0	0	0	110.6
297	A	93.2	Very high	92.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	-66.3	-49.6	-176.7	0	0	0	0	0	110.2	G276 I278 C294 K327 W329	G276-A297 WeakPolarHBondContact O-CB 3.24Å; G276-A297 PolarHBondContact O-N 3Å; I278-A297 HydrophobicContact CB-CB 4.29Å; I278-A297 HydrophobicContact CD1-CB 3.6Å; I278-A297 HydrophobicContact CG1-CB 3.67Å; C294-A297 HydrophobicContact CB-CB 4.23Å; A297-K327 VanDerWaalsContact O-CD 3.24Å; A297-K327 WeakPolarHBondContact O-CD 3.47Å; A297-K327 WeakPolarHBondContact O-CE 3.31Å; A297-K327 PolarHBondContact O-NZ 3.12Å; A297-W329 HydrophobicContact CB-CH2 3.87Å; A297-W329 HydrophobicContact CB-CZ2 3.63Å
298	H	94.6	Very high	93.1	Very high	4 Å²	4	53 Å²	53	2%	0.019	29%	0.291	C	S	.	.	S	Bend	trans	-117.5	160.6	166.3	-68.3	-91	0	0	0	109.9	G276 T302 S318 G320 D323 T325	G276-H298 PolarHBondContact O-N 3.28Å; H298-T302 HydrophobicContact CB-CG2 3.93Å; H298-S318 WeakPolarHBondContact NE2-CB 3.36Å; H298-S318 PolarHBondContact NE2-OG 2.95Å; H298-G320 PolarHBondContact CE1-N 3.11Å; H298-D323 IonicContact CE1-OD1 3.3Å; H298-D323 IonicContact CE1-OD2 3.88Å; H298-D323 IonicContact CG-OD2 3.53Å; H298-D323 IonicContact ND1-OD1 3.34Å; H298-D323 PolarHBondContact ND1-OD1 3.45Å; H298-D323 IonicContact ND1-OD2 2.68Å; H298-D323 PolarHBondContact ND1-OD2 3.11Å; H298-T325 PolarHBondContact CE1-OG1 3.11Å; H298-T325 PolarHBondContact ND1-OG1 2.7Å
299	P	92.2	Very high	93.5	Very high	71 Å²	71	47.5 Å²	47.5	46%	0.461	26%	0.257	S	S	.	.			trans	-53.9	153.2	173.7	-23.4	34.3	0	0	0	111.5	N301 T302 D323	P299-N301 PolarHBondContact O-N 3.32Å; P299-T302 VanDerWaalsContact O-CB 3.23Å; P299-T302 WeakPolarHBondContact O-CB 3.32Å; P299-T302 PolarHBondContact O-N 3.31Å; P299-T302 PolarHBondContact O-OG1 2.91Å; P299-D323 WeakPolarHBondContact CD-OD2 3.15Å; P299-D323 HydrophobicContact CG-CB 4.04Å
300	M	89.7	Confident	93.7	Very high	166 Å²	166	41.5 Å²	41.5	82%	0.818	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	141.6	179.5	-62.2	-172.5	75.1	0	0	110.9	T302	M300-T302 VanDerWaalsContact C-N 3.33Å
301	N	89.5	Confident	93.8	Very high	128 Å²	128	43.2 Å²	43.2	68%	0.684	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	32	-175.6	-53.1	-26.1	0	0	0	114.4	P299 N322	P299-N301 PolarHBondContact O-N 3.32Å; N301-N322 PolarHBondContact O-ND2 3.45Å
302	T	93	Very high	93.8	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.025	23%	0.226	C	C	.	.			trans	-104.7	116.9	169.7	-53.6	0	0	0	0	109.4	Q274 G276 H298 P299 M300 N322 D323	Q274-T302 CarbonylContact O-C 3.51Å; G276-T302 VanDerWaalsContact CA-O 3.31Å; G276-T302 WeakPolarHBondContact CA-O 3.42Å; G276-T302 PolarHBondContact N-O 3.1Å; H298-T302 HydrophobicContact CB-CG2 3.93Å; P299-T302 VanDerWaalsContact O-CB 3.23Å; P299-T302 WeakPolarHBondContact O-CB 3.32Å; P299-T302 PolarHBondContact O-N 3.31Å; P299-T302 PolarHBondContact O-OG1 2.91Å; M300-T302 VanDerWaalsContact C-N 3.33Å; T302-N322 HydrophobicContact CG2-CB 4.19Å; T302-D323 HydrophobicContact CG2-CB 4.14Å
303	D	93.7	Very high	93.8	Very high	35 Å²	35	41.7 Å²	41.7	19%	0.187	22%	0.219	C	C	.	.			trans	-70.7	132.2	173.2	-75.9	-2.3	0	0	0	110.1	T258 Q274 M321	T258-D303 HydrophobicContact CG2-CB 4.18Å; Q274-D303 VanDerWaalsContact CA-OD1 3.3Å; Q274-D303 WeakPolarHBondContact CA-OD1 3.4Å; Q274-D303 VanDerWaalsContact CB-OD1 3.27Å; Q274-D303 WeakPolarHBondContact CB-OD1 3.41Å; Q274-D303 VanDerWaalsContact CG-OD1 3.26Å; Q274-D303 WeakPolarHBondContact CG-OD1 3.33Å; D303-M321 HydrophobicContact CB-CB 4.38Å; D303-M321 WeakPolarHBondContact O-CB 3.44Å; D303-M321 PolarHBondContact O-N 3.42Å
304	I	96.4	Very high	93.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	102.3	177	-59.2	177.2	0	0	0	108.1	T258 S259 I278 V307 R319	T258-I304 WeakPolarHBondContact CB-O 3.45Å; T258-I304 PolarHBondContact OG1-N 2.96Å; T258-I304 PolarHBondContact OG1-O 3.46Å; S259-I304 PolarHBondContact OG-O 3.43Å; I278-I304 HydrophobicContact CG1-CD1 3.76Å; I304-V307 HydrophobicContact CG2-CG2 3.64Å; I304-R319 CarbonylContact C-O 3.6Å; I304-R319 VanDerWaalsContact CA-O 3.24Å; I304-R319 WeakPolarHBondContact CA-O 3.36Å; I304-R319 WeakPolarHBondContact CG2-O 3.27Å
305	T	96.1	Very high	93.8	Very high	1 Å²	1	46 Å²	46	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	-38	-173.1	60.9	0	0	0	0	112.6	S259 R319 M321 V347 N350 S352	S259-T305 WeakPolarHBondContact CB-O 3.42Å; T305-R319 PolarHBondContact N-O 2.85Å; T305-R319 WeakPolarHBondContact OG1-CB 3.37Å; T305-R319 VanDerWaalsContact OG1-CG 3.29Å; T305-R319 WeakPolarHBondContact OG1-CG 3.37Å; T305-M321 HydrophobicContact CG2-CB 3.74Å; T305-M321 HydrophobicContact CG2-CG 4.36Å; T305-M321 HydrophobicContact CG2-SD 4.41Å; T305-V347 HydrophobicContact CG2-CG1 3.93Å; T305-N350 WeakPolarHBondContact CA-O 3.43Å; T305-N350 VanDerWaalsContact CB-O 3.25Å; T305-N350 WeakPolarHBondContact CB-O 3.45Å; T305-N350 WeakPolarHBondContact CG2-O 3.42Å; T305-S352 WeakPolarHBondContact CB-O 3.17Å; T305-S352 PolarHBondContact OG1-O 3.26Å
306	C	95.9	Very high	94	Very high	9 Å²	9	42.2 Å²	42.2	6%	0.061	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	141.9	-177.6	-176.4	0	0	0	0	110.7	R319 S352	C306-R319 HydrophobicContact CB-CB 4.3Å; C306-R319 PolarHBondContact O-N 3.45Å; C306-S352 VanDerWaalsContact CB-O 3.29Å; C306-S352 WeakPolarHBondContact CB-O 3.29Å
307	V	96.4	Very high	94.2	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	114.4	169	173.7	0	0	0	0	107.1	A261 A270 I304 L316 I317	A261-V307 WeakPolarHBondContact CB-O 3.35Å; A270-V307 HydrophobicContact CB-CG1 3.8Å; I304-V307 HydrophobicContact CG2-CG2 3.64Å; V307-L316 HydrophobicContact CG1-CD1 3.41Å; V307-L316 VanDerWaalsContact CG1-CD1 3.41Å; V307-L316 HydrophobicContact CG1-CD2 3.82Å; V307-L316 HydrophobicContact CG1-CG 3.75Å; V307-I317 VanDerWaalsContact CA-O 3.29Å; V307-I317 WeakPolarHBondContact CA-O 3.36Å
308	S	96	Very high	94.4	Very high	19 Å²	19	36.5 Å²	36.5	13%	0.133	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.2	-179	-176.7	0	0	0	0	110.9	I317 V354	S308-I317 PolarHBondContact N-O 2.96Å; S308-I317 PolarHBondContact O-N 2.92Å; S308-V354 VanDerWaalsContact CB-O 3.29Å; S308-V354 WeakPolarHBondContact CB-O 3.18Å
309	W	96.4	Very high	94.5	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	146.6	173.9	-71.9	88.1	0	0	0	111.2	A261 Y262 L268 A270 I280 S313 L316 T331 F356	A261-W309 PolarHBondContact O-NE1 2.83Å; Y262-W309 VanDerWaalsContact C-CD1 3.42Å; L268-W309 HydrophobicContact CB-CH2 3.7Å; L268-W309 HydrophobicContact CB-CZ2 3.82Å; L268-W309 HydrophobicContact CD1-CH2 3.49Å; L268-W309 VanDerWaalsContact CD1-CH2 3.49Å; L268-W309 HydrophobicContact CD1-CZ2 4.44Å; L268-W309 HydrophobicContact CD1-CZ3 3.93Å; L268-W309 HydrophobicContact CG-CH2 4.23Å; A270-W309 HydrophobicContact CB-CZ2 3.85Å; I280-W309 HydrophobicContact CD1-CH2 4.42Å; W309-S313 WeakPolarHBondContact CZ3-O 2.92Å; W309-L316 HydrophobicContact CD2-CD1 3.54Å; W309-L316 VanDerWaalsContact CE2-CD1 3.44Å; W309-L316 HydrophobicContact CE3-CD1 4.2Å; W309-L316 HydrophobicContact CG-CD1 3.75Å; W309-L316 HydrophobicContact CZ2-CD1 3.98Å; W309-T331 HydrophobicContact CE3-CG2 3.82Å; W309-T331 HydrophobicContact CH2-CG2 3.65Å; W309-T331 HydrophobicContact CZ3-CG2 3.1Å; W309-F356 VanDerWaalsContact C-CE2 3.48Å; W309-F356 VanDerWaalsContact O-CD2 3.26Å; W309-F356 WeakPolarHBondContact O-CD2 3.15Å
310	S	95.4	Very high	94.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.			trans	-66.7	156	163.5	57.1	0	0	0	0	110.7	D312 S313 K314 Q315 F356 D360	S310-D312 VanDerWaalsContact C-N 3.27Å; S310-D312 VanDerWaalsContact CB-OD1 3.28Å; S310-D312 WeakPolarHBondContact CB-OD1 3.14Å; S310-D312 PolarHBondContact O-N 2.94Å; S310-D312 PolarHBondContact OG-OD1 3.43Å; S310-S313 PolarHBondContact O-N 3.49Å; S310-K314 PolarHBondContact OG-N 3.44Å; S310-Q315 PolarHBondContact N-O 3.46Å; S310-Q315 PolarHBondContact OG-N 3.41Å; S310-Q315 PolarHBondContact OG-O 2.91Å; S310-Q315 VanDerWaalsContact OG-O 3.04Å; S310-F356 VanDerWaalsContact N-CE2 3.34Å; S310-D360 WeakPolarHBondContact CB-OD2 3.26Å
311	W	93.6	Very high	94.7	Very high	88 Å²	88	26.8 Å²	26.8	33%	0.333	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-34	176.4	-70.3	97.2	0	0	0	112.4	K264 S313 S357 D360 H407	K264-W311 HydrophobicContact CD-CE3 4.1Å; K264-W311 HydrophobicContact CD-CZ3 4.13Å; K264-W311 HydrophobicContact CG-CD2 4.47Å; K264-W311 HydrophobicContact CG-CE3 4.03Å; W311-S313 PolarHBondContact O-N 2.98Å; W311-S357 PolarHBondContact NE1-O 3.35Å; W311-D360 VanDerWaalsContact N-CG 3.28Å; W311-D360 PolarHBondContact N-OD1 2.97Å; W311-D360 PolarHBondContact N-OD2 3.05Å; W311-D360 VanDerWaalsContact N-OD2 3.1Å; W311-H407 HydrophobicContact CH2-CB 4.05Å; W311-H407 AromaticContact CH2-CG 3.89Å; W311-H407 AromaticContact CH2-ND1 3.89Å; W311-H407 HydrophobicContact CZ2-CB 3.86Å
312	D	92.7	Very high	94.7	Very high	63 Å²	63	25.6 Å²	25.6	34%	0.337	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-5.9	172	73.2	6.6	0	0	0	114.5	S310 K314 D360 R384	S310-D312 VanDerWaalsContact C-N 3.27Å; S310-D312 VanDerWaalsContact CB-OD1 3.28Å; S310-D312 WeakPolarHBondContact CB-OD1 3.14Å; S310-D312 PolarHBondContact O-N 2.94Å; S310-D312 PolarHBondContact OG-OD1 3.43Å; D312-K314 HydrophobicContact CB-CD 4.46Å; D312-K314 PolarHBondContact O-N 2.94Å; D312-K314 VanDerWaalsContact O-N 3.08Å; D312-K314 WeakPolarHBondContact OD1-CB 3.44Å; D312-K314 PolarHBondContact OD1-N 2.93Å; D312-D360 PolarHBondContact N-OD2 2.8Å; D312-R384 IonicContact OD1-NH2 3Å; D312-R384 IonicContact OD2-CZ 2.77Å; D312-R384 IonicContact OD2-NH1 2.7Å; D312-R384 IonicContact OD2-NH2 3.58Å; D312-R384 PolarHBondContact OD2-NH2 3.02Å
313	S	93.5	Very high	94.7	Very high	15 Å²	15	26.9 Å²	26.9	11%	0.105	13%	0.133	C	C	.	.	S	Bend	trans	56.4	15.4	-176.5	-57.6	0	0	0	0	115.7	K264 D265 W309 S310 W311 T331	K264-S313 PolarHBondContact N-OG 2.96Å; K264-S313 VanDerWaalsContact N-OG 3.17Å; D265-S313 PolarHBondContact N-OG 3.08Å; W309-S313 WeakPolarHBondContact CZ3-O 2.92Å; S310-S313 PolarHBondContact O-N 3.49Å; W311-S313 PolarHBondContact O-N 2.98Å; S313-T331 PolarHBondContact O-OG1 2.9Å
314	K	93.6	Very high	94.6	Very high	115 Å²	115	28.2 Å²	28.2	50%	0.5	14%	0.14	S	C	.	.	S	Bend	trans	-94.6	-20.4	179.1	-66.3	171.6	-172.5	166.4	0	113.2	S310 D312 T331	S310-K314 PolarHBondContact OG-N 3.44Å; D312-K314 HydrophobicContact CB-CD 4.46Å; D312-K314 PolarHBondContact O-N 2.94Å; D312-K314 VanDerWaalsContact O-N 3.08Å; D312-K314 WeakPolarHBondContact OD1-CB 3.44Å; D312-K314 PolarHBondContact OD1-N 2.93Å; K314-T331 WeakPolarHBondContact O-CG2 3.3Å; K314-T331 PolarHBondContact O-N 2.58Å; K314-T331 PolarHBondContact O-OG1 3.44Å
315	Q	94.6	Very high	94.6	Very high	37 Å²	37	28.9 Å²	28.9	17%	0.173	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	154.1	-177.8	-67.4	-178.4	6.8	0	0	111.6	S310 L328 W329 I339	S310-Q315 PolarHBondContact N-O 3.46Å; S310-Q315 PolarHBondContact OG-N 3.41Å; S310-Q315 PolarHBondContact OG-O 2.91Å; S310-Q315 VanDerWaalsContact OG-O 3.04Å; Q315-L328 HydrophobicContact CB-CD1 4.11Å; Q315-W329 CarbonylContact C-O 3.59Å; Q315-W329 WeakPolarHBondContact CA-O 3.24Å; Q315-W329 WeakPolarHBondContact CB-O 3.49Å; Q315-I339 HydrophobicContact CG-CD1 4.2Å
316	L	96	Very high	94.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.9	-179.5	-170.2	76.8	0	0	0	108.6	A270 I278 I280 V307 W309 L328 W329 T331	A270-L316 HydrophobicContact CB-CD1 4.15Å; A270-L316 HydrophobicContact CB-CD2 4.26Å; I278-L316 HydrophobicContact CG2-CD2 3.8Å; I280-L316 HydrophobicContact CD1-CD2 4.27Å; V307-L316 HydrophobicContact CG1-CD1 3.41Å; V307-L316 VanDerWaalsContact CG1-CD1 3.41Å; V307-L316 HydrophobicContact CG1-CD2 3.82Å; V307-L316 HydrophobicContact CG1-CG 3.75Å; W309-L316 HydrophobicContact CD2-CD1 3.54Å; W309-L316 VanDerWaalsContact CE2-CD1 3.44Å; W309-L316 HydrophobicContact CE3-CD1 4.2Å; W309-L316 HydrophobicContact CG-CD1 3.75Å; W309-L316 HydrophobicContact CZ2-CD1 3.98Å; L316-L328 CarbonylContact O-C 3.35Å; L316-W329 HydrophobicContact CB-CB 4.26Å; L316-W329 PolarHBondContact N-O 3.33Å; L316-W329 PolarHBondContact O-N 3.48Å; L316-T331 HydrophobicContact CB-CG2 4.05Å
317	I	96.6	Very high	94.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	138.3	168.4	-68.3	169.9	0	0	0	109.4	V307 S308 M326 K327 L328 V354 F356 L363	V307-I317 VanDerWaalsContact CA-O 3.29Å; V307-I317 WeakPolarHBondContact CA-O 3.36Å; S308-I317 PolarHBondContact N-O 2.96Å; S308-I317 PolarHBondContact O-N 2.92Å; I317-M326 HydrophobicContact CG2-CG 3.4Å; I317-M326 VanDerWaalsContact CG2-CG 3.4Å; I317-M326 HydrophobicContact CG2-SD 3.7Å; I317-K327 WeakPolarHBondContact CA-O 3.15Å; I317-L328 HydrophobicContact CD1-CD1 4.14Å; I317-L328 HydrophobicContact CG1-CD1 3.51Å; I317-V354 HydrophobicContact CD1-CG1 4.12Å; I317-V354 HydrophobicContact CG2-CB 4.29Å; I317-V354 HydrophobicContact CG2-CG1 3.82Å; I317-F356 HydrophobicContact CB-CE2 4.18Å; I317-F356 HydrophobicContact CB-CZ 4.45Å; I317-F356 HydrophobicContact CD1-CD1 4.41Å; I317-F356 HydrophobicContact CD1-CD2 4.01Å; I317-F356 HydrophobicContact CD1-CE1 3.82Å; I317-F356 HydrophobicContact CD1-CE2 3.35Å; I317-F356 HydrophobicContact CD1-CZ 3.26Å; I317-F356 HydrophobicContact CG1-CE1 4.38Å; I317-F356 HydrophobicContact CG1-CE2 3.62Å; I317-F356 HydrophobicContact CG1-CZ 3.46Å; I317-F356 VanDerWaalsContact CG1-CZ 3.46Å; I317-L363 HydrophobicContact CD1-CB 4.39Å; I317-L363 HydrophobicContact CD1-CD1 3.78Å; I317-L363 HydrophobicContact CD1-CD2 3.55Å; I317-L363 HydrophobicContact CD1-CG 4.09Å
318	S	96.5	Very high	94.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.1	167.5	64.4	0	0	0	0	110.9	H298 M326 K327 W329	H298-S318 WeakPolarHBondContact NE2-CB 3.36Å; H298-S318 PolarHBondContact NE2-OG 2.95Å; S318-M326 WeakPolarHBondContact O-CA 3.31Å; S318-K327 PolarHBondContact N-O 3.43Å; S318-K327 PolarHBondContact O-N 3.27Å; S318-W329 PolarHBondContact OG-NE1 2.98Å
319	R	95.8	Very high	94.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.8	177	-172.2	63.1	165.7	128.6	3.2	109.8	I304 T305 C306 T325 L345 V347 V354 A366	I304-R319 CarbonylContact C-O 3.6Å; I304-R319 VanDerWaalsContact CA-O 3.24Å; I304-R319 WeakPolarHBondContact CA-O 3.36Å; I304-R319 WeakPolarHBondContact CG2-O 3.27Å; T305-R319 PolarHBondContact N-O 2.85Å; T305-R319 WeakPolarHBondContact OG1-CB 3.37Å; T305-R319 VanDerWaalsContact OG1-CG 3.29Å; T305-R319 WeakPolarHBondContact OG1-CG 3.37Å; C306-R319 HydrophobicContact CB-CB 4.3Å; C306-R319 PolarHBondContact O-N 3.45Å; R319-T325 PolarHBondContact NH1-O 2.82Å; R319-L345 PolarHBondContact NH1-O 3.34Å; R319-L345 VanDerWaalsContact NH2-CB 3.33Å; R319-L345 PolarHBondContact NH2-O 3.45Å; R319-V347 HydrophobicContact CG-CG2 4.35Å; R319-V354 HydrophobicContact CB-CG2 3.97Å; R319-V354 HydrophobicContact CG-CG2 4.03Å; R319-A366 PolarHBondContact NH2-O 3.14Å
320	G	94.1	Very high	94.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135	177.2	0	0	0	0	0	111.4	H298 D323 T325	H298-G320 PolarHBondContact CE1-N 3.11Å; G320-D323 VanDerWaalsContact CA-OD1 3.32Å; G320-D323 WeakPolarHBondContact CA-OD1 3.25Å; G320-T325 PolarHBondContact N-O 3.13Å
321	M	93.5	Very high	94.3	Very high	36 Å²	36	31.1 Å²	31.1	18%	0.177	15%	0.153	C	C	.	.	S	Bend	trans	-77.6	-52.3	-179.4	-177.9	169.1	150.5	0	0	112.5	D303 T305 V347 N350	D303-M321 HydrophobicContact CB-CB 4.38Å; D303-M321 WeakPolarHBondContact O-CB 3.44Å; D303-M321 PolarHBondContact O-N 3.42Å; T305-M321 HydrophobicContact CG2-CB 3.74Å; T305-M321 HydrophobicContact CG2-CG 4.36Å; T305-M321 HydrophobicContact CG2-SD 4.41Å; M321-V347 HydrophobicContact CB-CG1 4.2Å; M321-V347 HydrophobicContact CG-CB 4.32Å; M321-V347 HydrophobicContact CG-CG1 3.92Å; M321-N350 WeakPolarHBondContact CE-OD1 3.48Å; M321-N350 PolarHBondContact SD-OD1 3.46Å
322	N	89.9	Confident	94.1	Very high	103 Å²	103	36 Å²	36	55%	0.551	17%	0.171	S	C	*	.	S	Bend	trans	-86.5	-13.9	-172	-62.8	2.5	0	0	0	113.4	N301 T302	N301-N322 PolarHBondContact O-ND2 3.45Å; T302-N322 HydrophobicContact CG2-CB 4.19Å
323	D	91.4	Very high	93.9	Very high	32 Å²	32	33.2 Å²	33.2	17%	0.171	16%	0.157	C	C	.	.	S	Bend	trans	-102.2	-1.7	179.2	77.9	-5.5	0	0	0	113.3	H298 P299 T302 G320 T325 K327	H298-D323 IonicContact CE1-OD1 3.3Å; H298-D323 IonicContact CE1-OD2 3.88Å; H298-D323 IonicContact CG-OD2 3.53Å; H298-D323 IonicContact ND1-OD1 3.34Å; H298-D323 PolarHBondContact ND1-OD1 3.45Å; H298-D323 IonicContact ND1-OD2 2.68Å; H298-D323 PolarHBondContact ND1-OD2 3.11Å; P299-D323 WeakPolarHBondContact CD-OD2 3.15Å; P299-D323 HydrophobicContact CG-CB 4.04Å; T302-D323 HydrophobicContact CG2-CB 4.14Å; G320-D323 VanDerWaalsContact CA-OD1 3.32Å; G320-D323 WeakPolarHBondContact CA-OD1 3.25Å; D323-T325 HydrophobicContact CB-CG2 4.39Å; D323-T325 WeakPolarHBondContact O-CG2 3.1Å; D323-T325 PolarHBondContact O-N 3.21Å; D323-T325 PolarHBondContact OD1-N 2.8Å; D323-T325 PolarHBondContact OD1-OG1 2.9Å; D323-T325 PolarHBondContact OD2-OG1 3.31Å; D323-K327 IonicContact OD2-NZ 3.81Å
324	D	93.1	Very high	93.7	Very high	62 Å²	62	32.6 Å²	32.6	33%	0.332	15%	0.153	S	C	.	.			trans	49.4	27.4	-178.7	-64.5	-27	0	0	0	113.5	L345 P346 V347	D324-L345 CarbonylContact C-O 3.59Å; D324-L345 WeakPolarHBondContact CA-O 3.43Å; D324-L345 CarbonylContact O-C 3.58Å; D324-L345 WeakPolarHBondContact O-CB 3.13Å; D324-L345 PolarHBondContact O-N 3.4Å; D324-L345 VanDerWaalsContact O-N 3.08Å; D324-P346 WeakPolarHBondContact OD1-CA 3.02Å; D324-V347 PolarHBondContact OD1-N 3.15Å
325	T	95	Very high	93.3	Very high	14 Å²	14	32.3 Å²	32.3	9%	0.086	17%	0.166	C	C	.	.			trans	-110.1	154.4	-178.9	73.8	0	0	0	0	112.6	H298 R319 G320 D323 K327 V341 F342 K343	H298-T325 PolarHBondContact CE1-OG1 3.11Å; H298-T325 PolarHBondContact ND1-OG1 2.7Å; R319-T325 PolarHBondContact NH1-O 2.82Å; G320-T325 PolarHBondContact N-O 3.13Å; D323-T325 HydrophobicContact CB-CG2 4.39Å; D323-T325 WeakPolarHBondContact O-CG2 3.1Å; D323-T325 PolarHBondContact O-N 3.21Å; D323-T325 PolarHBondContact OD1-N 2.8Å; D323-T325 PolarHBondContact OD1-OG1 2.9Å; D323-T325 PolarHBondContact OD2-OG1 3.31Å; T325-K327 VanDerWaalsContact OG1-CE 3.31Å; T325-K327 WeakPolarHBondContact OG1-CE 3.35Å; T325-V341 HydrophobicContact CG2-CG1 4.21Å; T325-F342 VanDerWaalsContact CA-O 3.23Å; T325-F342 WeakPolarHBondContact CA-O 3.38Å; T325-F342 WeakPolarHBondContact CB-O 3.4Å; T325-K343 HydrophobicContact CG2-CG 4.46Å
326	M	95.8	Very high	93	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134	161.9	175.6	-176.1	74.2	0	0	107.8	I317 S318 F342 L345 V354 L363 V365 Y382	I317-M326 HydrophobicContact CG2-CG 3.4Å; I317-M326 VanDerWaalsContact CG2-CG 3.4Å; I317-M326 HydrophobicContact CG2-SD 3.7Å; S318-M326 WeakPolarHBondContact O-CA 3.31Å; M326-F342 HydrophobicContact CB-CB 4.2Å; M326-F342 HydrophobicContact CB-CD2 4.42Å; M326-F342 HydrophobicContact CE-CB 4.13Å; M326-F342 HydrophobicContact CE-CD1 4.17Å; M326-F342 HydrophobicContact CE-CD2 3.23Å; M326-F342 HydrophobicContact CE-CE1 4.39Å; M326-F342 HydrophobicContact CE-CE2 3.52Å; M326-F342 HydrophobicContact CE-CG 3.58Å; M326-F342 HydrophobicContact CE-CZ 4.08Å; M326-F342 HydrophobicContact CG-CD2 4.36Å; M326-F342 PolarHBondContact N-O 3.16Å; M326-F342 WeakPolarHBondContact O-CD2 3.09Å; M326-F342 PolarHBondContact O-N 3.3Å; M326-L345 HydrophobicContact CB-CD1 4.03Å; M326-V354 HydrophobicContact SD-CB 4.44Å; M326-V354 HydrophobicContact SD-CG1 3.59Å; M326-V354 VanDerWaalsContact SD-CG1 3.59Å; M326-V354 HydrophobicContact SD-CG2 4.03Å; M326-L363 HydrophobicContact CE-CD1 4.14Å; M326-V365 HydrophobicContact CE-CG2 3.52Å; M326-V365 HydrophobicContact SD-CB 4.47Å; M326-V365 HydrophobicContact SD-CG1 4.47Å; M326-V365 HydrophobicContact SD-CG2 3.24Å; M326-V365 WeakPolarHBondContact SD-CG2 3.46Å; M326-Y382 HydrophobicContact CE-CD2 4.26Å
327	K	96	Very high	92.8	Very high	28 Å²	28	41.1 Å²	41.1	12%	0.122	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.6	-178	-61	-176.7	-172.9	171.7	0	110.3	A297 I317 S318 D323 T325 W329 A338 H340 V341	A297-K327 VanDerWaalsContact O-CD 3.24Å; A297-K327 WeakPolarHBondContact O-CD 3.47Å; A297-K327 WeakPolarHBondContact O-CE 3.31Å; A297-K327 PolarHBondContact O-NZ 3.12Å; I317-K327 WeakPolarHBondContact CA-O 3.15Å; S318-K327 PolarHBondContact N-O 3.43Å; S318-K327 PolarHBondContact O-N 3.27Å; D323-K327 IonicContact OD2-NZ 3.81Å; T325-K327 VanDerWaalsContact OG1-CE 3.31Å; T325-K327 WeakPolarHBondContact OG1-CE 3.35Å; K327-W329 HydrophobicContact CB-CZ2 3.83Å; K327-W329 HydrophobicContact CD-CH2 4.44Å; K327-W329 HydrophobicContact CD-CZ2 3.79Å; K327-W329 HydrophobicContact CG-CZ2 4.44Å; K327-W329 PolarHBondContact O-NE1 3.19Å; K327-A338 HydrophobicContact CB-CB 4.08Å; K327-A338 HydrophobicContact CD-CB 4.47Å; K327-H340 WeakPolarHBondContact CA-O 3.4Å; K327-V341 HydrophobicContact CD-CG2 4.21Å; K327-V341 HydrophobicContact CG-CB 4.42Å; K327-V341 HydrophobicContact CG-CG1 4.09Å; K327-V341 HydrophobicContact CG-CG2 4.05Å
328	L	96.2	Very high	92.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.1	175.4	-176.6	69.6	0	0	0	109.5	Q315 L316 I317 A338 I339 H340 F356 F387	Q315-L328 HydrophobicContact CB-CD1 4.11Å; L316-L328 CarbonylContact O-C 3.35Å; I317-L328 HydrophobicContact CD1-CD1 4.14Å; I317-L328 HydrophobicContact CG1-CD1 3.51Å; L328-A338 CarbonylContact O-C 3.46Å; L328-A338 WeakPolarHBondContact O-CA 3.38Å; L328-I339 HydrophobicContact CD2-CB 4.35Å; L328-I339 HydrophobicContact CD2-CD1 4.32Å; L328-I339 HydrophobicContact CD2-CG2 4.39Å; L328-I339 HydrophobicContact CG-CB 4.4Å; L328-I339 HydrophobicContact CG-CD1 4.22Å; L328-I339 PolarHBondContact O-N 3.38Å; L328-H340 PolarHBondContact N-O 2.83Å; L328-F356 HydrophobicContact CD1-CE1 4.31Å; L328-F356 HydrophobicContact CD1-CZ 3.95Å; L328-F387 HydrophobicContact CD2-CD1 4.48Å; L328-F387 HydrophobicContact CD2-CE1 3.57Å; L328-F387 HydrophobicContact CD2-CZ 4.26Å
329	W	95.8	Very high	92.4	Very high	6 Å²	6	46.3 Å²	46.3	2%	0.023	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.2	-174.1	-54.6	91.4	0	0	0	111.4	I278 A297 Q315 L316 S318 K327 L334 A338	I278-W329 HydrophobicContact CD1-CD2 4.44Å; I278-W329 HydrophobicContact CD1-CZ2 4.27Å; A297-W329 HydrophobicContact CB-CH2 3.87Å; A297-W329 HydrophobicContact CB-CZ2 3.63Å; Q315-W329 CarbonylContact C-O 3.59Å; Q315-W329 WeakPolarHBondContact CA-O 3.24Å; Q315-W329 WeakPolarHBondContact CB-O 3.49Å; L316-W329 HydrophobicContact CB-CB 4.26Å; L316-W329 PolarHBondContact N-O 3.33Å; L316-W329 PolarHBondContact O-N 3.48Å; S318-W329 PolarHBondContact OG-NE1 2.98Å; K327-W329 HydrophobicContact CB-CZ2 3.83Å; K327-W329 HydrophobicContact CD-CH2 4.44Å; K327-W329 HydrophobicContact CD-CZ2 3.79Å; K327-W329 HydrophobicContact CG-CZ2 4.44Å; K327-W329 PolarHBondContact O-NE1 3.19Å; W329-L334 HydrophobicContact CB-CD1 3.72Å; W329-L334 HydrophobicContact CD2-CD1 3.93Å; W329-L334 HydrophobicContact CE3-CD1 3.88Å; W329-L334 HydrophobicContact CG-CD1 3.87Å; W329-A338 HydrophobicContact CD2-CB 4.23Å; W329-A338 HydrophobicContact CE3-CB 4.08Å; W329-A338 HydrophobicContact CH2-CB 3.86Å; W329-A338 HydrophobicContact CZ2-CB 4.03Å; W329-A338 HydrophobicContact CZ3-CB 3.92Å
330	D	94.6	Very high	92.3	Very high	44 Å²	44	49.1 Å²	49.1	24%	0.235	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125	164.6	-175.4	-10.1	0	0	0	108.5	R332 G333 L334 I339	D330-R332 PolarHBondContact O-N 2.72Å; D330-R332 PolarHBondContact OD1-N 3.45Å; D330-R332 IonicContact OD1-NE 3.12Å; D330-R332 IonicContact OD2-NH2 3.95Å; D330-G333 CarbonylContact O-C 3.45Å; D330-G333 PolarHBondContact O-N 2.95Å; D330-L334 PolarHBondContact O-N 3.1Å; D330-L334 VanDerWaalsContact O-N 3.11Å; D330-I339 HydrophobicContact CB-CD1 4Å; D330-I339 HydrophobicContact CB-CG1 4.34Å
331	T	91.6	Very high	92.4	Very high	9 Å²	9	51.8 Å²	51.8	6%	0.055	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-12.6	-175.8	65.9	0	0	0	0	112.5	Q292 W309 S313 K314 L316	Q292-T331 PolarHBondContact NE2-O 2.84Å; Q292-T331 PolarHBondContact OE1-O 2.81Å; W309-T331 HydrophobicContact CE3-CG2 3.82Å; W309-T331 HydrophobicContact CH2-CG2 3.65Å; W309-T331 HydrophobicContact CZ3-CG2 3.1Å; S313-T331 PolarHBondContact O-OG1 2.9Å; K314-T331 WeakPolarHBondContact O-CG2 3.3Å; K314-T331 PolarHBondContact O-N 2.58Å; K314-T331 PolarHBondContact O-OG1 3.44Å; L316-T331 HydrophobicContact CB-CG2 4.05Å
332	R	90.3	Very high	92.5	Very high	190 Å²	190	50.4 Å²	50.4	72%	0.717	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-13.9	171.3	-63.4	176.6	-62.6	171.1	4.1	112.6	D330	D330-R332 PolarHBondContact O-N 2.72Å; D330-R332 PolarHBondContact OD1-N 3.45Å; D330-R332 IonicContact OD1-NE 3.12Å; D330-R332 IonicContact OD2-NH2 3.95Å
333	G	88.2	Confident	92.7	Very high	5 Å²	5	52.4 Å²	52.4	5%	0.052	27%	0.271	C	S	.	.			trans	-134.7	31.8	-168.4	0	0	0	0	0	113.3	D330 S335 K336	D330-G333 CarbonylContact O-C 3.45Å; D330-G333 PolarHBondContact O-N 2.95Å; G333-S335 PolarHBondContact O-N 3.07Å; G333-K336 VanDerWaalsContact O-CB 3.32Å; G333-K336 WeakPolarHBondContact O-CB 3.4Å; G333-K336 PolarHBondContact O-N 2.87Å
334	L	90.2	Very high	92.6	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-55.1	-31.8	-173.4	-164.7	73	0	0	0	113.1	I278 I280 Q292 C294 W329 D330 K336	I278-L334 HydrophobicContact CB-CD2 4.44Å; I278-L334 HydrophobicContact CG2-CD2 4.15Å; I280-L334 HydrophobicContact CD1-CD1 4.49Å; I280-L334 HydrophobicContact CD1-CD2 3.92Å; I280-L334 HydrophobicContact CG1-CD2 4.27Å; Q292-L334 HydrophobicContact CB-CD2 4.37Å; C294-L334 HydrophobicContact CB-CD1 4.49Å; C294-L334 HydrophobicContact CB-CD2 3.78Å; C294-L334 HydrophobicContact CB-CG 3.68Å; W329-L334 HydrophobicContact CB-CD1 3.72Å; W329-L334 HydrophobicContact CD2-CD1 3.93Å; W329-L334 HydrophobicContact CE3-CD1 3.88Å; W329-L334 HydrophobicContact CG-CD1 3.87Å; D330-L334 PolarHBondContact O-N 3.1Å; D330-L334 VanDerWaalsContact O-N 3.11Å; L334-K336 VanDerWaalsContact C-N 3.33Å; L334-K336 PolarHBondContact O-N 2.92Å
335	S	84.3	Confident	92.6	Very high	110 Å²	110	54.9 Å²	54.9	77%	0.769	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-75.5	-14.7	177.8	63	0	0	0	0	114.7	G333 G337	G333-S335 PolarHBondContact O-N 3.07Å; S335-G337 PolarHBondContact O-N 3.05Å
336	K	88.6	Confident	92.5	Very high	187 Å²	187	56.3 Å²	56.3	81%	0.813	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-75.3	-15.8	179	-63.5	-178.1	178.3	179	0	112.6	G333 L334	G333-K336 VanDerWaalsContact O-CB 3.32Å; G333-K336 WeakPolarHBondContact O-CB 3.4Å; G333-K336 PolarHBondContact O-N 2.87Å; L334-K336 VanDerWaalsContact C-N 3.33Å; L334-K336 PolarHBondContact O-N 2.92Å
337	G	90.4	Very high	92.4	Very high	35 Å²	35	56.7 Å²	56.7	36%	0.361	30%	0.296	S	S	.	.			trans	109.1	176.1	-173.4	0	0	0	0	0	112.3	S335	S335-G337 PolarHBondContact O-N 3.05Å
338	A	92.7	Very high	92.3	Very high	34 Å²	34	59.4 Å²	59.4	28%	0.281	31%	0.311	S	S	.	.			trans	-71.8	140.6	177	0	0	0	0	0	109.9	K327 L328 W329 H340 V341	K327-A338 HydrophobicContact CB-CB 4.08Å; K327-A338 HydrophobicContact CD-CB 4.47Å; L328-A338 CarbonylContact O-C 3.46Å; L328-A338 WeakPolarHBondContact O-CA 3.38Å; W329-A338 HydrophobicContact CD2-CB 4.23Å; W329-A338 HydrophobicContact CE3-CB 4.08Å; W329-A338 HydrophobicContact CH2-CB 3.86Å; W329-A338 HydrophobicContact CZ2-CB 4.03Å; W329-A338 HydrophobicContact CZ3-CB 3.92Å; A338-H340 VanDerWaalsContact C-N 3.32Å; A338-V341 HydrophobicContact CB-CG2 4.01Å
339	I	93.5	Very high	92.1	Very high	75 Å²	75	61.2 Å²	61.2	39%	0.385	32%	0.319	S	S	.	.	S	Bend	trans	-60.8	-47.1	170.9	-57.3	178.1	0	0	0	109.3	Q315 L328 D330 F387	Q315-I339 HydrophobicContact CG-CD1 4.2Å; L328-I339 HydrophobicContact CD2-CB 4.35Å; L328-I339 HydrophobicContact CD2-CD1 4.32Å; L328-I339 HydrophobicContact CD2-CG2 4.39Å; L328-I339 HydrophobicContact CG-CB 4.4Å; L328-I339 HydrophobicContact CG-CD1 4.22Å; L328-I339 PolarHBondContact O-N 3.38Å; D330-I339 HydrophobicContact CB-CD1 4Å; D330-I339 HydrophobicContact CB-CG1 4.34Å; I339-F387 HydrophobicContact CG2-CE2 4.42Å; I339-F387 HydrophobicContact CG2-CZ 3.74Å
340	H	94	Very high	91.9	Very high	60 Å²	60	64.7 Å²	64.7	28%	0.278	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	147.6	179.9	-167.3	-94.7	0	0	0	110.7	K327 L328 A338 F342 F387	K327-H340 WeakPolarHBondContact CA-O 3.4Å; L328-H340 PolarHBondContact N-O 2.83Å; A338-H340 VanDerWaalsContact C-N 3.32Å; H340-F342 HydrophobicContact CB-CE2 4.33Å; H340-F342 AromaticContact CE1-CD1 3.87Å; H340-F342 AromaticContact CE1-CE1 3.87Å; H340-F342 AromaticContact ND1-CD1 3.71Å; H340-F342 AromaticContact ND1-CD2 3.64Å; H340-F342 AromaticContact ND1-CE1 3.57Å; H340-F342 AromaticContact ND1-CE2 3.5Å; H340-F342 WeakPolarHBondContact ND1-CE2 3.43Å; H340-F342 AromaticContact ND1-CG 3.76Å; H340-F342 AromaticContact ND1-CZ 3.47Å; H340-F342 WeakPolarHBondContact ND1-CZ 3.44Å; H340-F387 HydrophobicContact CB-CD1 3.89Å; H340-F387 HydrophobicContact CB-CD2 3.92Å; H340-F387 HydrophobicContact CB-CE1 3.92Å; H340-F387 HydrophobicContact CB-CE2 3.96Å; H340-F387 HydrophobicContact CB-CG 3.87Å; H340-F387 HydrophobicContact CB-CZ 3.96Å; H340-F387 AromaticContact CD2-CD2 3.38Å; H340-F387 WeakPolarHBondContact CD2-CD2 3.2Å; H340-F387 AromaticContact CD2-CG 3.59Å; H340-F387 AromaticContact CG-CD1 3.94Å; H340-F387 AromaticContact CG-CD2 3.65Å; H340-F387 AromaticContact CG-CG 3.49Å; H340-F387 VanDerWaalsContact CG-CG 3.49Å; H340-F387 AromaticContact ND1-CG 3.88Å
341	V	95.3	Very high	91.8	Very high	56 Å²	56	63.2 Å²	63.2	34%	0.339	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	112.7	177.4	-178.6	0	0	0	0	108.4	T325 K327 A338 K343	T325-V341 HydrophobicContact CG2-CG1 4.21Å; K327-V341 HydrophobicContact CD-CG2 4.21Å; K327-V341 HydrophobicContact CG-CB 4.42Å; K327-V341 HydrophobicContact CG-CG1 4.09Å; K327-V341 HydrophobicContact CG-CG2 4.05Å; A338-V341 HydrophobicContact CB-CG2 4.01Å; V341-K343 HydrophobicContact CG1-CG 4.26Å
342	F	95.8	Very high	91.9	Very high	7 Å²	7	62.8 Å²	62.8	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.7	172.5	-56.1	-93.3	0	0	0	108.8	T325 M326 H340 L345 L363 Y382 F387	T325-F342 VanDerWaalsContact CA-O 3.23Å; T325-F342 WeakPolarHBondContact CA-O 3.38Å; T325-F342 WeakPolarHBondContact CB-O 3.4Å; M326-F342 HydrophobicContact CB-CB 4.2Å; M326-F342 HydrophobicContact CB-CD2 4.42Å; M326-F342 HydrophobicContact CE-CB 4.13Å; M326-F342 HydrophobicContact CE-CD1 4.17Å; M326-F342 HydrophobicContact CE-CD2 3.23Å; M326-F342 HydrophobicContact CE-CE1 4.39Å; M326-F342 HydrophobicContact CE-CE2 3.52Å; M326-F342 HydrophobicContact CE-CG 3.58Å; M326-F342 HydrophobicContact CE-CZ 4.08Å; M326-F342 HydrophobicContact CG-CD2 4.36Å; M326-F342 PolarHBondContact N-O 3.16Å; M326-F342 WeakPolarHBondContact O-CD2 3.09Å; M326-F342 PolarHBondContact O-N 3.3Å; H340-F342 HydrophobicContact CB-CE2 4.33Å; H340-F342 AromaticContact CE1-CD1 3.87Å; H340-F342 AromaticContact CE1-CE1 3.87Å; H340-F342 AromaticContact ND1-CD1 3.71Å; H340-F342 AromaticContact ND1-CD2 3.64Å; H340-F342 AromaticContact ND1-CE1 3.57Å; H340-F342 AromaticContact ND1-CE2 3.5Å; H340-F342 WeakPolarHBondContact ND1-CE2 3.43Å; H340-F342 AromaticContact ND1-CG 3.76Å; H340-F342 AromaticContact ND1-CZ 3.47Å; H340-F342 WeakPolarHBondContact ND1-CZ 3.44Å; F342-L345 HydrophobicContact CB-CD1 3.76Å; F342-L363 HydrophobicContact CE2-CD1 4.08Å; F342-L363 HydrophobicContact CZ-CD1 3.97Å; F342-Y382 AromaticContact CD1-CD1 3.68Å; F342-Y382 HydrophobicContact CD1-CD1 3.68Å; F342-Y382 HydrophobicContact CD1-CD2 4.33Å; F342-Y382 AromaticContact CD1-CE1 3.82Å; F342-Y382 HydrophobicContact CD1-CE1 3.82Å; F342-Y382 HydrophobicContact CD1-CE2 4.45Å; F342-Y382 AromaticContact CD1-CG 3.95Å; F342-Y382 HydrophobicContact CD1-CG 3.95Å; F342-Y382 AromaticContact CE1-CD1 3.59Å; F342-Y382 HydrophobicContact CE1-CD1 3.59Å; F342-Y382 HydrophobicContact CE1-CD2 4.41Å; F342-Y382 HydrophobicContact CE1-CE1 4.22Å; F342-Y382 AromaticContact CE1-CG 3.7Å; F342-Y382 HydrophobicContact CE1-CG 3.7Å; F342-F387 HydrophobicContact CE1-CB 3.88Å; F342-F387 HydrophobicContact CZ-CB 3.97Å; F342-F387 AromaticContact CZ-CD1 3.76Å; F342-F387 HydrophobicContact CZ-CD1 3.76Å; F342-F387 HydrophobicContact CZ-CG 4.24Å
343	K	93.5	Very high	92.1	Very high	144 Å²	144	54.1 Å²	54.1	63%	0.626	30%	0.295	S	S	*	.			trans	-113.3	170.5	-177.5	-61.6	-177.9	-179.6	179.5	0	110.7	T325 V341	T325-K343 HydrophobicContact CG2-CG 4.46Å; V341-K343 HydrophobicContact CG1-CG 4.26Å
344	D	90.4	Very high	92.5	Very high	147 Å²	147	54.1 Å²	54.1	79%	0.786	29%	0.294	S	S	*	.			trans	62.9	42.8	176.4	-50.9	-37.8	0	0	0	113.5	P346	D344-P346 WeakPolarHBondContact O-CD 3.49Å
345	L	93.3	Very high	92.7	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.299	C	S	.	.			trans	-122.4	82.2	-179.1	-67.6	169	0	0	0	109.1	R319 D324 M326 F342 V365 V367 N380 Y382	R319-L345 PolarHBondContact NH1-O 3.34Å; R319-L345 VanDerWaalsContact NH2-CB 3.33Å; R319-L345 PolarHBondContact NH2-O 3.45Å; D324-L345 CarbonylContact C-O 3.59Å; D324-L345 WeakPolarHBondContact CA-O 3.43Å; D324-L345 CarbonylContact O-C 3.58Å; D324-L345 WeakPolarHBondContact O-CB 3.13Å; D324-L345 PolarHBondContact O-N 3.4Å; D324-L345 VanDerWaalsContact O-N 3.08Å; M326-L345 HydrophobicContact CB-CD1 4.03Å; F342-L345 HydrophobicContact CB-CD1 3.76Å; L345-V365 HydrophobicContact CD1-CG1 4.29Å; L345-V365 HydrophobicContact CD2-CG1 4.4Å; L345-V367 HydrophobicContact CD2-CG2 3.59Å; L345-N380 HydrophobicContact CD2-CB 4.45Å; L345-N380 WeakPolarHBondContact CD2-ND2 3.45Å; L345-Y382 HydrophobicContact CD1-CE2 4.42Å; L345-Y382 HydrophobicContact CD2-CE2 4.33Å; L345-Y382 WeakPolarHBondContact CD2-OH 3.44Å
346	P	92.9	Very high	93.2	Very high	44 Å²	44	49.8 Å²	49.8	29%	0.286	26%	0.263	S	S	.	.			trans	-60.6	141.5	-176.3	18.6	-29.5	0	0	0	114.2	D324 D344 V367 S368	D324-P346 WeakPolarHBondContact OD1-CA 3.02Å; D344-P346 WeakPolarHBondContact O-CD 3.49Å; P346-V367 HydrophobicContact CG-CG1 3.75Å; P346-S368 VanDerWaalsContact CG-O 3.3Å; P346-S368 WeakPolarHBondContact CG-O 3.44Å; P346-S368 PolarHBondContact O-N 3.39Å
347	V	93.2	Very high	93.4	Very high	8 Å²	8	40.9 Å²	40.9	5%	0.048	22%	0.224	C	C	.	.			trans	-129.3	125.4	177.1	-179.3	0	0	0	0	110.2	T305 R319 M321 D324 F349	T305-V347 HydrophobicContact CG2-CG1 3.93Å; R319-V347 HydrophobicContact CG-CG2 4.35Å; M321-V347 HydrophobicContact CB-CG1 4.2Å; M321-V347 HydrophobicContact CG-CB 4.32Å; M321-V347 HydrophobicContact CG-CG1 3.92Å; D324-V347 PolarHBondContact OD1-N 3.15Å; V347-F349 WeakPolarHBondContact CG1-O 3.14Å
348	L	92.6	Very high	93.3	Very high	85 Å²	85	41 Å²	41	45%	0.445	22%	0.219	S	C	.	.			trans	-113.4	-18	178	-63.2	177	0	0	0	113.3	S368 V369 P370	L348-S368 PolarHBondContact N-OG 2.76Å; L348-V369 VanDerWaalsContact CD1-C 3.5Å; L348-V369 WeakPolarHBondContact CD1-O 3.46Å; L348-P370 HydrophobicContact CD1-CB 4.41Å
349	F	92.6	Very high	93.1	Very high	38 Å²	38	43.5 Å²	43.5	17%	0.167	23%	0.227	C	C	.	.	S	Bend	trans	-116.1	135.5	-175.4	-64.9	-90.3	0	0	0	110.2	P97 F115 V347 Q351 S352 I401	P97-F349 HydrophobicContact CB-CE1 4.27Å; F115-F349 HydrophobicContact CE2-CD1 4.46Å; V347-F349 WeakPolarHBondContact CG1-O 3.14Å; F349-Q351 PolarHBondContact O-N 3.01Å; F349-Q351 VanDerWaalsContact O-N 3.08Å; F349-S352 PolarHBondContact O-N 3.2Å; F349-S352 PolarHBondContact O-OG 2.94Å; F349-I401 HydrophobicContact CB-CD1 4.39Å; F349-I401 HydrophobicContact CB-CG1 4.13Å; F349-I401 HydrophobicContact CB-CG2 3.98Å; F349-I401 HydrophobicContact CD1-CD1 3.65Å; F349-I401 HydrophobicContact CD1-CG1 4.26Å; F349-I401 HydrophobicContact CD2-CD1 3.78Å; F349-I401 HydrophobicContact CD2-CG1 3.61Å; F349-I401 HydrophobicContact CE1-CD1 3.75Å; F349-I401 HydrophobicContact CE2-CD1 3.88Å; F349-I401 HydrophobicContact CE2-CG1 4.04Å; F349-I401 HydrophobicContact CG-CD1 3.66Å; F349-I401 HydrophobicContact CG-CG1 3.73Å; F349-I401 HydrophobicContact CG-CG2 4.41Å; F349-I401 HydrophobicContact CZ-CD1 3.86Å
350	N	91.2	Very high	93	Very high	78 Å²	78	40.5 Å²	40.5	42%	0.417	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.7	-178.1	-58.1	22.8	0	0	0	112.8	T305 M321	T305-N350 WeakPolarHBondContact CA-O 3.43Å; T305-N350 VanDerWaalsContact CB-O 3.25Å; T305-N350 WeakPolarHBondContact CB-O 3.45Å; T305-N350 WeakPolarHBondContact CG2-O 3.42Å; M321-N350 WeakPolarHBondContact CE-OD1 3.48Å; M321-N350 PolarHBondContact SD-OD1 3.46Å
351	Q	92.5	Very high	92.8	Very high	13 Å²	13	41.8 Å²	41.8	6%	0.061	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	12	-179.7	-59.5	74.9	29.4	0	0	113.3	T99 K146 W201 F349 E353 I401	T99-Q351 HydrophobicContact CG2-CG 4.34Å; K146-Q351 VanDerWaalsContact O-CG 3.29Å; K146-Q351 WeakPolarHBondContact O-CG 3.31Å; W201-Q351 HydrophobicContact CZ3-CB 4.42Å; F349-Q351 PolarHBondContact O-N 3.01Å; F349-Q351 VanDerWaalsContact O-N 3.08Å; Q351-E353 PolarHBondContact O-N 3.26Å; Q351-I401 HydrophobicContact CB-CG2 3.93Å
352	S	94.5	Very high	92.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.			trans	-64.3	120.9	-177.7	-71.4	0	0	0	0	112.6	T305 C306 F349 I401	T305-S352 WeakPolarHBondContact CB-O 3.17Å; T305-S352 PolarHBondContact OG1-O 3.26Å; C306-S352 VanDerWaalsContact CB-O 3.29Å; C306-S352 WeakPolarHBondContact CB-O 3.29Å; F349-S352 PolarHBondContact O-N 3.2Å; F349-S352 PolarHBondContact O-OG 2.94Å; S352-I401 WeakPolarHBondContact CA-O 3.24Å
353	E	95.1	Very high	92.6	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.037	20%	0.201	C	C	.	.			trans	-98.2	157.8	-172.8	-76.4	171	-174.1	0	0	113.9	H147 W201 Q351 A366 I401 G402 L403	H147-E353 IonicContact CD2-OE1 2.9Å; H147-E353 IonicContact NE2-OE1 3.13Å; W201-E353 HydrophobicContact CH2-CG 3.65Å; W201-E353 WeakPolarHBondContact CH2-OE1 3.21Å; W201-E353 HydrophobicContact CZ2-CG 4.09Å; Q351-E353 PolarHBondContact O-N 3.26Å; E353-A366 WeakPolarHBondContact O-CB 3.34Å; E353-A366 PolarHBondContact O-N 3.04Å; E353-I401 PolarHBondContact N-O 3.09Å; E353-I401 VanDerWaalsContact N-O 3.1Å; E353-G402 WeakPolarHBondContact OE2-CA 3.39Å; E353-L403 HydrophobicContact CB-CB 4.29Å; E353-L403 PolarHBondContact OE2-N 2.84Å
354	V	95.4	Very high	92.7	Very high	5 Å²	5	32 Å²	32	3%	0.03	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	139.3	170.2	178.5	0	0	0	0	107.8	S308 I317 R319 M326 A364 V365	S308-V354 VanDerWaalsContact CB-O 3.29Å; S308-V354 WeakPolarHBondContact CB-O 3.18Å; I317-V354 HydrophobicContact CD1-CG1 4.12Å; I317-V354 HydrophobicContact CG2-CB 4.29Å; I317-V354 HydrophobicContact CG2-CG1 3.82Å; R319-V354 HydrophobicContact CB-CG2 3.97Å; R319-V354 HydrophobicContact CG-CG2 4.03Å; M326-V354 HydrophobicContact SD-CB 4.44Å; M326-V354 HydrophobicContact SD-CG1 3.59Å; M326-V354 VanDerWaalsContact SD-CG1 3.59Å; M326-V354 HydrophobicContact SD-CG2 4.03Å; V354-A364 WeakPolarHBondContact CG1-O 3.17Å; V354-V365 HydrophobicContact CG1-CG2 4.14Å; V354-V365 HydrophobicContact CG2-CG1 4.12Å; V354-V365 HydrophobicContact CG2-CG2 4.41Å
355	T	94.6	Very high	92.9	Very high	21 Å²	21	25 Å²	25	13%	0.129	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.5	178.4	-172.6	0	0	0	0	111.5	A364 L403 W405	T355-A364 HydrophobicContact CG2-CB 3.92Å; T355-A364 PolarHBondContact N-O 3.42Å; T355-A364 PolarHBondContact O-N 2.99Å; T355-L403 HydrophobicContact CG2-CD2 4.29Å; T355-L403 HydrophobicContact CG2-CG 4.12Å; T355-W405 HydrophobicContact CG2-CB 3.83Å
356	F	94.5	Very high	92.9	Very high	1 Å²	1	25 Å²	25	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	151.9	163.6	-72.8	-98	0	0	0	109.7	W309 S310 I317 L328 L363	W309-F356 VanDerWaalsContact C-CE2 3.48Å; W309-F356 VanDerWaalsContact O-CD2 3.26Å; W309-F356 WeakPolarHBondContact O-CD2 3.15Å; S310-F356 VanDerWaalsContact N-CE2 3.34Å; I317-F356 HydrophobicContact CB-CE2 4.18Å; I317-F356 HydrophobicContact CB-CZ 4.45Å; I317-F356 HydrophobicContact CD1-CD1 4.41Å; I317-F356 HydrophobicContact CD1-CD2 4.01Å; I317-F356 HydrophobicContact CD1-CE1 3.82Å; I317-F356 HydrophobicContact CD1-CE2 3.35Å; I317-F356 HydrophobicContact CD1-CZ 3.26Å; I317-F356 HydrophobicContact CG1-CE1 4.38Å; I317-F356 HydrophobicContact CG1-CE2 3.62Å; I317-F356 HydrophobicContact CG1-CZ 3.46Å; I317-F356 VanDerWaalsContact CG1-CZ 3.46Å; L328-F356 HydrophobicContact CD1-CE1 4.31Å; L328-F356 HydrophobicContact CD1-CZ 3.95Å; F356-L363 HydrophobicContact CD1-CD2 3.22Å; F356-L363 HydrophobicContact CE1-CD2 3.27Å; F356-L363 HydrophobicContact CG-CD2 4Å; F356-L363 HydrophobicContact CZ-CD2 4.08Å
357	S	92.8	Very high	93	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.			trans	-65.3	155.6	164.3	63.4	0	0	0	0	110.4	W311 N359 D360 H361 V362	W311-S357 PolarHBondContact NE1-O 3.35Å; S357-N359 WeakPolarHBondContact CB-OD1 3.36Å; S357-N359 PolarHBondContact O-N 3.37Å; S357-N359 PolarHBondContact OG-OD1 3.19Å; S357-D360 WeakPolarHBondContact O-CA 3.31Å; S357-D360 PolarHBondContact O-N 3.46Å; S357-D360 PolarHBondContact OG-N 3.17Å; S357-H361 PolarHBondContact OG-N 3.3Å; S357-H361 VanDerWaalsContact OG-N 3.13Å; S357-V362 WeakPolarHBondContact CB-O 3.38Å; S357-V362 PolarHBondContact N-O 2.98Å; S357-V362 PolarHBondContact OG-N 3.21Å; S357-V362 PolarHBondContact OG-O 3.12Å
358	P	89.1	Confident	93	Very high	38 Å²	38	22.7 Å²	22.7	25%	0.247	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.3	-179.5	-26.7	37.7	0	0	0	113.9	D360 W405 H407	P358-D360 VanDerWaalsContact C-N 3.33Å; P358-W405 HydrophobicContact CG-CG 4.33Å; P358-H407 HydrophobicContact CB-CB 3.84Å; P358-H407 HydrophobicContact CG-CB 4.06Å
359	N	88.3	Confident	92.9	Very high	85 Å²	85	19.4 Å²	19.4	46%	0.455	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	5.9	175.6	66	1.6	0	0	0	113.3	S357 H361	S357-N359 WeakPolarHBondContact CB-OD1 3.36Å; S357-N359 PolarHBondContact O-N 3.37Å; S357-N359 PolarHBondContact OG-OD1 3.19Å; N359-H361 PolarHBondContact O-CD2 2.88Å; N359-H361 PolarHBondContact O-N 3.28Å; N359-H361 PolarHBondContact OD1-N 2.94Å
360	D	90.8	Very high	92.7	Very high	13 Å²	13	20.9 Å²	20.9	7%	0.07	12%	0.115	C	C	.	.	S	Bend	trans	65.2	5.3	174.6	-108.4	9.6	0	0	0	116	S310 W311 D312 S357 P358 R384	S310-D360 WeakPolarHBondContact CB-OD2 3.26Å; W311-D360 VanDerWaalsContact N-CG 3.28Å; W311-D360 PolarHBondContact N-OD1 2.97Å; W311-D360 PolarHBondContact N-OD2 3.05Å; W311-D360 VanDerWaalsContact N-OD2 3.1Å; D312-D360 PolarHBondContact N-OD2 2.8Å; S357-D360 WeakPolarHBondContact O-CA 3.31Å; S357-D360 PolarHBondContact O-N 3.46Å; S357-D360 PolarHBondContact OG-N 3.17Å; P358-D360 VanDerWaalsContact C-N 3.33Å; D360-R384 WeakPolarHBondContact O-CD 3.37Å; D360-R384 PolarHBondContact O-NH1 3.49Å; D360-R384 VanDerWaalsContact O-NH1 3.1Å; D360-R384 IonicContact OD1-NH1 3.41Å; D360-R384 IonicContact OD2-NH1 2.8Å; D360-R384 PolarHBondContact OD2-NH1 2.8Å; D360-R384 VanDerWaalsContact OD2-NH1 3.08Å
361	H	90.5	Very high	92.2	Very high	87 Å²	87	28.2 Å²	28.2	40%	0.403	14%	0.137	S	C	.	.	S	Bend	trans	-87.6	-20.6	-178.1	-71.5	-64.7	0	0	0	114.8	S357 N359 R384	S357-H361 PolarHBondContact OG-N 3.3Å; S357-H361 VanDerWaalsContact OG-N 3.13Å; N359-H361 PolarHBondContact O-CD2 2.88Å; N359-H361 PolarHBondContact O-N 3.28Å; N359-H361 PolarHBondContact OD1-N 2.94Å; H361-R384 WeakPolarHBondContact O-CB 3.34Å; H361-R384 PolarHBondContact O-N 3.27Å
362	V	92.8	Very high	91.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143	-175.2	-179.7	0	0	0	0	109.6	Y81 L83 S357 F381 Y382 I390 W405	Y81-V362 HydrophobicContact CD1-CG2 4.26Å; Y81-V362 HydrophobicContact CG-CG2 4.21Å; L83-V362 HydrophobicContact CD2-CG1 4.27Å; S357-V362 WeakPolarHBondContact CB-O 3.38Å; S357-V362 PolarHBondContact N-O 2.98Å; S357-V362 PolarHBondContact OG-N 3.21Å; S357-V362 PolarHBondContact OG-O 3.12Å; V362-F381 HydrophobicContact CG1-CB 4.09Å; V362-F381 HydrophobicContact CG1-CD1 3.99Å; V362-Y382 CarbonylContact C-O 3.45Å; V362-Y382 WeakPolarHBondContact CA-O 3.41Å; V362-I390 HydrophobicContact CB-CD1 4.46Å; V362-I390 HydrophobicContact CG1-CD1 3.99Å; V362-I390 HydrophobicContact CG2-CD1 3.74Å; V362-W405 HydrophobicContact CB-CH2 4.37Å; V362-W405 HydrophobicContact CB-CZ3 4.17Å; V362-W405 HydrophobicContact CG1-CH2 4.43Å; V362-W405 HydrophobicContact CG1-CZ3 4.04Å
363	L	94.6	Very high	91.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.9	173.4	-47.7	-178.6	0	0	0	107.8	I317 M326 F342 F356 F381 Y382 R384	I317-L363 HydrophobicContact CD1-CB 4.39Å; I317-L363 HydrophobicContact CD1-CD1 3.78Å; I317-L363 HydrophobicContact CD1-CD2 3.55Å; I317-L363 HydrophobicContact CD1-CG 4.09Å; M326-L363 HydrophobicContact CE-CD1 4.14Å; F342-L363 HydrophobicContact CE2-CD1 4.08Å; F342-L363 HydrophobicContact CZ-CD1 3.97Å; F356-L363 HydrophobicContact CD1-CD2 3.22Å; F356-L363 HydrophobicContact CE1-CD2 3.27Å; F356-L363 HydrophobicContact CG-CD2 4Å; F356-L363 HydrophobicContact CZ-CD2 4.08Å; L363-F381 CarbonylContact O-C 3.4Å; L363-F381 VanDerWaalsContact O-CA 3.32Å; L363-F381 WeakPolarHBondContact O-CA 3.46Å; L363-Y382 PolarHBondContact N-O 2.89Å; L363-Y382 PolarHBondContact O-N 3Å; L363-R384 HydrophobicContact CD2-CB 4.48Å
364	A	94.4	Very high	90.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.7	176.1	0	0	0	0	0	109.4	V354 T355 F381 L403 W405	V354-A364 WeakPolarHBondContact CG1-O 3.17Å; T355-A364 HydrophobicContact CG2-CB 3.92Å; T355-A364 PolarHBondContact N-O 3.42Å; T355-A364 PolarHBondContact O-N 2.99Å; A364-F381 HydrophobicContact CB-CD1 3.75Å; A364-F381 HydrophobicContact CB-CE1 3.64Å; A364-L403 HydrophobicContact CB-CD2 3.77Å; A364-L403 WeakPolarHBondContact O-CD2 3.38Å; A364-W405 HydrophobicContact CB-CE3 4.27Å
365	V	95.1	Very high	89.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.1	-172	-177.1	0	0	0	0	110.5	M326 L345 V354 V367 I379 N380 Y382	M326-V365 HydrophobicContact CE-CG2 3.52Å; M326-V365 HydrophobicContact SD-CB 4.47Å; M326-V365 HydrophobicContact SD-CG1 4.47Å; M326-V365 HydrophobicContact SD-CG2 3.24Å; M326-V365 WeakPolarHBondContact SD-CG2 3.46Å; L345-V365 HydrophobicContact CD1-CG1 4.29Å; L345-V365 HydrophobicContact CD2-CG1 4.4Å; V354-V365 HydrophobicContact CG1-CG2 4.14Å; V354-V365 HydrophobicContact CG2-CG1 4.12Å; V354-V365 HydrophobicContact CG2-CG2 4.41Å; V365-V367 HydrophobicContact CG1-CG2 4.36Å; V365-I379 WeakPolarHBondContact O-CA 3.25Å; V365-N380 PolarHBondContact N-O 2.81Å; V365-N380 PolarHBondContact O-N 2.99Å; V365-Y382 HydrophobicContact CG2-CD2 4.11Å; V365-Y382 HydrophobicContact CG2-CE2 4.19Å
366	A	94.7	Very high	89	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	129.1	168	0	0	0	0	0	111	R319 E353 V400 I401 L403	R319-A366 PolarHBondContact NH2-O 3.14Å; E353-A366 WeakPolarHBondContact O-CB 3.34Å; E353-A366 PolarHBondContact O-N 3.04Å; A366-V400 HydrophobicContact CB-CB 4.2Å; A366-V400 HydrophobicContact CB-CG1 3.78Å; A366-I401 WeakPolarHBondContact CB-O 3.31Å; A366-L403 HydrophobicContact CB-CB 4.19Å
367	V	94.4	Very high	88.6	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.024	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.5	177.5	-176.5	0	0	0	0	109.1	L345 P346 V365 Q378	L345-V367 HydrophobicContact CD2-CG2 3.59Å; P346-V367 HydrophobicContact CG-CG1 3.75Å; V365-V367 HydrophobicContact CG1-CG2 4.36Å; V367-Q378 HydrophobicContact CB-CB 4.12Å; V367-Q378 WeakPolarHBondContact CB-O 3.44Å; V367-Q378 PolarHBondContact N-O 3.4Å; V367-Q378 PolarHBondContact O-N 3.21Å; V367-Q378 VanDerWaalsContact O-N 3.13Å
368	S	92.7	Very high	88.6	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.262	C	S	.	.			trans	-89.8	152.2	175.2	-60.3	0	0	0	0	110.4	P346 L348 V400	P346-S368 VanDerWaalsContact CG-O 3.3Å; P346-S368 WeakPolarHBondContact CG-O 3.44Å; P346-S368 PolarHBondContact O-N 3.39Å; L348-S368 PolarHBondContact N-OG 2.76Å; S368-V400 PolarHBondContact OG-O 3.26Å
369	V	90.9	Very high	88.9	Confident	15 Å²	15	49.9 Å²	49.9	9%	0.091	25%	0.251	C	S	.	.			trans	-134.8	137	-179.5	165.3	0	0	0	0	108.8	L348 D373 G376 S399	L348-V369 VanDerWaalsContact CD1-C 3.5Å; L348-V369 WeakPolarHBondContact CD1-O 3.46Å; V369-D373 HydrophobicContact CG1-CB 3.46Å; V369-D373 VanDerWaalsContact CG1-CB 3.46Å; V369-G376 WeakPolarHBondContact CG2-O 3.36Å; V369-S399 PolarHBondContact N-OG 3.35Å; V369-S399 PolarHBondContact O-OG 3.37Å
370	P	87.2	Confident	89.2	Confident	69 Å²	69	46 Å²	46	45%	0.448	23%	0.23	S	C	.	.			trans	-59.9	153.5	-179.2	24.4	-34.4	0	0	0	111.6	L348 N372 D373	L348-P370 HydrophobicContact CD1-CB 4.41Å; P370-N372 PolarHBondContact O-N 2.9Å; P370-D373 HydrophobicContact CG-CB 4.14Å; P370-D373 PolarHBondContact O-N 3.2Å
371	R	82	Confident	89.3	Confident	232 Å²	232	45.4 Å²	45.4	88%	0.875	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	133.6	178.6	-67.3	-176.4	179.5	177.3	-0.1	109.8
372	N	79.2	Confident	89.5	Confident	166 Å²	166	42.3 Å²	42.3	89%	0.888	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	6.9	179.1	-49.1	-26.5	0	0	0	116.9	P370	P370-N372 PolarHBondContact O-N 2.9Å
373	D	83.8	Confident	89.5	Confident	61 Å²	61	45.9 Å²	45.9	33%	0.326	23%	0.225	S	C	.	.			trans	-78	128.9	170.1	-179	-12.5	0	0	0	109.7	V369 P370 K375	V369-D373 HydrophobicContact CG1-CB 3.46Å; V369-D373 VanDerWaalsContact CG1-CB 3.46Å; P370-D373 HydrophobicContact CG-CB 4.14Å; P370-D373 PolarHBondContact O-N 3.2Å; D373-K375 PolarHBondContact O-N 2.79Å; D373-K375 VanDerWaalsContact O-N 3.09Å; D373-K375 WeakPolarHBondContact OD1-CB 3.5Å; D373-K375 PolarHBondContact OD1-N 2.9Å
374	P	79.9	Confident	89.2	Confident	127 Å²	127	47.3 Å²	47.3	83%	0.825	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-17.6	-179.4	25.2	-37.5	0	0	0	114.1	G376	P374-G376 VanDerWaalsContact C-N 3.25Å; P374-G376 PolarHBondContact O-N 2.93Å
375	K	75.8	Confident	88.9	Confident	143 Å²	143	51.5 Å²	51.5	62%	0.622	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-10.6	-172.7	-71.9	-179.1	178.6	176	0	115.2	D373 Q378	D373-K375 PolarHBondContact O-N 2.79Å; D373-K375 VanDerWaalsContact O-N 3.09Å; D373-K375 WeakPolarHBondContact OD1-CB 3.5Å; D373-K375 PolarHBondContact OD1-N 2.9Å; K375-Q378 PolarHBondContact O-NE2 2.75Å
376	G	84.9	Confident	88.7	Confident	4 Å²	4	54.4 Å²	54.4	4%	0.041	27%	0.268	C	S	.	.			trans	58.9	165.2	-179.4	0	0	0	0	0	113.6	V369 P374 H397	V369-G376 WeakPolarHBondContact CG2-O 3.36Å; P374-G376 VanDerWaalsContact C-N 3.25Å; P374-G376 PolarHBondContact O-N 2.93Å; G376-H397 WeakPolarHBondContact CA-O 3.36Å
377	G	87.6	Confident	88.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	144.3	169.4	0	0	0	0	0	110.4	S394 P395 C396 G398	G377-S394 WeakPolarHBondContact O-CA 3.45Å; G377-P395 WeakPolarHBondContact O-CD 3.42Å; G377-C396 PolarHBondContact N-O 3.38Å; G377-G398 WeakPolarHBondContact CA-O 3.16Å; G377-G398 PolarHBondContact N-O 2.89Å
378	Q	92.9	Very high	88.3	Confident	39 Å²	39	62.4 Å²	62.4	18%	0.182	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.9	-175.3	-52.9	-173.4	-23.9	0	0	111.6	V367 K375 F393	V367-Q378 HydrophobicContact CB-CB 4.12Å; V367-Q378 WeakPolarHBondContact CB-O 3.44Å; V367-Q378 PolarHBondContact N-O 3.4Å; V367-Q378 PolarHBondContact O-N 3.21Å; V367-Q378 VanDerWaalsContact O-N 3.13Å; K375-Q378 PolarHBondContact O-NE2 2.75Å; Q378-F393 CarbonylContact C-O 3.58Å; Q378-F393 WeakPolarHBondContact CA-O 3.45Å
379	I	93.7	Very high	88.3	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.6	164.8	-57.4	173.6	0	0	0	106.7	V365 F381 F393 P395 V400 L403 C414	V365-I379 WeakPolarHBondContact O-CA 3.25Å; I379-F381 HydrophobicContact CB-CE2 4.46Å; I379-F381 HydrophobicContact CG2-CD2 4.39Å; I379-F381 HydrophobicContact CG2-CE1 4.31Å; I379-F381 HydrophobicContact CG2-CE2 3.76Å; I379-F381 HydrophobicContact CG2-CZ 3.72Å; I379-F393 PolarHBondContact N-O 2.87Å; I379-F393 PolarHBondContact O-N 3.29Å; I379-P395 HydrophobicContact CD1-CG 4.03Å; I379-P395 HydrophobicContact CG1-CG 4.16Å; I379-V400 HydrophobicContact CG1-CG1 4.18Å; I379-V400 HydrophobicContact CG1-CG2 4.19Å; I379-L403 HydrophobicContact CD1-CD1 4Å; I379-L403 HydrophobicContact CG1-CD1 4.4Å; I379-L403 HydrophobicContact CG2-CD1 4.18Å; I379-L403 HydrophobicContact CG2-CD2 4.21Å; I379-C414 HydrophobicContact CD1-CB 3.77Å
380	N	94.3	Very high	88.2	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.016	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.8	180	-65.5	-2.4	0	0	0	109.3	L345 V365 Y382 L389 K392	L345-N380 HydrophobicContact CD2-CB 4.45Å; L345-N380 WeakPolarHBondContact CD2-ND2 3.45Å; V365-N380 PolarHBondContact N-O 2.81Å; V365-N380 PolarHBondContact O-N 2.99Å; N380-Y382 HydrophobicContact CB-CD2 4.34Å; N380-Y382 HydrophobicContact CB-CE2 3.58Å; N380-L389 HydrophobicContact CB-CD1 4.11Å; N380-K392 WeakPolarHBondContact OD1-CG 3.24Å
381	F	93.9	Very high	88.2	Confident	1 Å²	1	67.3 Å²	67.3	0%	0.004	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.7	175.2	-63.9	-83.3	0	0	0	109.7	L83 I85 V362 L363 A364 I379 I390 N391 W405	L83-F381 HydrophobicContact CD1-CG 4.44Å; L83-F381 HydrophobicContact CD2-CD1 4.11Å; L83-F381 HydrophobicContact CD2-CE1 4.47Å; L83-F381 HydrophobicContact CD2-CG 4.42Å; I85-F381 HydrophobicContact CG2-CE2 3.94Å; I85-F381 HydrophobicContact CG2-CZ 4.05Å; V362-F381 HydrophobicContact CG1-CB 4.09Å; V362-F381 HydrophobicContact CG1-CD1 3.99Å; L363-F381 CarbonylContact O-C 3.4Å; L363-F381 VanDerWaalsContact O-CA 3.32Å; L363-F381 WeakPolarHBondContact O-CA 3.46Å; A364-F381 HydrophobicContact CB-CD1 3.75Å; A364-F381 HydrophobicContact CB-CE1 3.64Å; I379-F381 HydrophobicContact CB-CE2 4.46Å; I379-F381 HydrophobicContact CG2-CD2 4.39Å; I379-F381 HydrophobicContact CG2-CE1 4.31Å; I379-F381 HydrophobicContact CG2-CE2 3.76Å; I379-F381 HydrophobicContact CG2-CZ 3.72Å; F381-I390 HydrophobicContact CB-CB 4.35Å; F381-I390 PolarHBondContact O-N 2.9Å; F381-N391 HydrophobicContact CD2-CB 4.38Å; F381-N391 PolarHBondContact N-O 3.38Å; F381-N391 PolarHBondContact O-N 2.93Å; F381-W405 HydrophobicContact CD1-CZ3 4.25Å; F381-W405 HydrophobicContact CE1-CZ3 4.1Å
382	Y	94.2	Very high	88.6	Confident	22 Å²	22	61.4 Å²	61.4	9%	0.086	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.2	176.9	-65	-85.8	0	0	0	110.3	M326 F342 L345 V362 L363 V365 N380 Q388 L389	M326-Y382 HydrophobicContact CE-CD2 4.26Å; F342-Y382 AromaticContact CD1-CD1 3.68Å; F342-Y382 HydrophobicContact CD1-CD1 3.68Å; F342-Y382 HydrophobicContact CD1-CD2 4.33Å; F342-Y382 AromaticContact CD1-CE1 3.82Å; F342-Y382 HydrophobicContact CD1-CE1 3.82Å; F342-Y382 HydrophobicContact CD1-CE2 4.45Å; F342-Y382 AromaticContact CD1-CG 3.95Å; F342-Y382 HydrophobicContact CD1-CG 3.95Å; F342-Y382 AromaticContact CE1-CD1 3.59Å; F342-Y382 HydrophobicContact CE1-CD1 3.59Å; F342-Y382 HydrophobicContact CE1-CD2 4.41Å; F342-Y382 HydrophobicContact CE1-CE1 4.22Å; F342-Y382 AromaticContact CE1-CG 3.7Å; F342-Y382 HydrophobicContact CE1-CG 3.7Å; L345-Y382 HydrophobicContact CD1-CE2 4.42Å; L345-Y382 HydrophobicContact CD2-CE2 4.33Å; L345-Y382 WeakPolarHBondContact CD2-OH 3.44Å; V362-Y382 CarbonylContact C-O 3.45Å; V362-Y382 WeakPolarHBondContact CA-O 3.41Å; L363-Y382 PolarHBondContact N-O 2.89Å; L363-Y382 PolarHBondContact O-N 3Å; V365-Y382 HydrophobicContact CG2-CD2 4.11Å; V365-Y382 HydrophobicContact CG2-CE2 4.19Å; N380-Y382 HydrophobicContact CB-CD2 4.34Å; N380-Y382 HydrophobicContact CB-CE2 3.58Å; Y382-Q388 CarbonylContact C-O 3.53Å; Y382-Q388 WeakPolarHBondContact CA-O 3.14Å; Y382-L389 HydrophobicContact CD1-CB 4.11Å; Y382-L389 HydrophobicContact CD1-CD1 4.15Å; Y382-L389 HydrophobicContact CE1-CB 3.9Å; Y382-L389 HydrophobicContact CE1-CD1 3.67Å; Y382-L389 HydrophobicContact CE1-CG 4.42Å; Y382-L389 HydrophobicContact CE2-CD1 4.31Å
383	R	92.3	Very high	89	Confident	76 Å²	76	56.1 Å²	56.1	29%	0.287	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	134.8	170.9	-175	174.9	176.3	-178.5	-0.8	109.8	Y81 D385 N386 F387 Q388 I390	Y81-R383 VanDerWaalsContact OH-CD 3.28Å; Y81-R383 WeakPolarHBondContact OH-CD 3.26Å; Y81-R383 PolarHBondContact OH-NE 2.8Å; Y81-R383 VanDerWaalsContact OH-NE 3.17Å; Y81-R383 PolarHBondContact OH-NH1 3.49Å; R383-D385 HydrophobicContact CG-CB 4.4Å; R383-D385 IonicContact CZ-OD2 2.85Å; R383-D385 IonicContact NE-OD2 3.77Å; R383-D385 PolarHBondContact NE-OD2 2.81Å; R383-D385 IonicContact NH2-OD2 2.97Å; R383-D385 PolarHBondContact NH2-OD2 2.88Å; R383-N386 WeakPolarHBondContact CB-OD1 3.41Å; R383-N386 WeakPolarHBondContact CD-OD1 3.42Å; R383-F387 WeakPolarHBondContact O-CA 3.04Å; R383-F387 PolarHBondContact O-N 3.44Å; R383-Q388 PolarHBondContact N-O 3.36Å; R383-I390 HydrophobicContact CB-CD1 3.88Å; R383-I390 HydrophobicContact CB-CG1 3.97Å
384	R	89.2	Confident	89.2	Confident	30 Å²	30	56 Å²	56	11%	0.113	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-32.2	179.6	-175.1	-177	171.9	-169.8	-6.3	113.1	D312 D360 H361 L363 F387	D312-R384 IonicContact OD1-NH2 3Å; D312-R384 IonicContact OD2-CZ 2.77Å; D312-R384 IonicContact OD2-NH1 2.7Å; D312-R384 IonicContact OD2-NH2 3.58Å; D312-R384 PolarHBondContact OD2-NH2 3.02Å; D360-R384 WeakPolarHBondContact O-CD 3.37Å; D360-R384 PolarHBondContact O-NH1 3.49Å; D360-R384 VanDerWaalsContact O-NH1 3.1Å; D360-R384 IonicContact OD1-NH1 3.41Å; D360-R384 IonicContact OD2-NH1 2.8Å; D360-R384 PolarHBondContact OD2-NH1 2.8Å; D360-R384 VanDerWaalsContact OD2-NH1 3.08Å; H361-R384 WeakPolarHBondContact O-CB 3.34Å; H361-R384 PolarHBondContact O-N 3.27Å; L363-R384 HydrophobicContact CD2-CB 4.48Å; R384-F387 WeakPolarHBondContact O-CD1 3.25Å; R384-F387 WeakPolarHBondContact O-CE1 3.48Å
385	D	87.9	Confident	89.3	Confident	89 Å²	89	50.8 Å²	50.8	48%	0.476	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-43.7	-173.5	-51.2	-32.5	0	0	0	113.3	R383	R383-D385 HydrophobicContact CG-CB 4.4Å; R383-D385 IonicContact CZ-OD2 2.85Å; R383-D385 IonicContact NE-OD2 3.77Å; R383-D385 PolarHBondContact NE-OD2 2.81Å; R383-D385 IonicContact NH2-OD2 2.97Å; R383-D385 PolarHBondContact NH2-OD2 2.88Å
386	N	90.2	Very high	89.4	Confident	60 Å²	60	45 Å²	45	32%	0.321	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	0.4	-173.9	70.5	0.4	0	0	0	113.4	R383 Q388	R383-N386 WeakPolarHBondContact CB-OD1 3.41Å; R383-N386 WeakPolarHBondContact CD-OD1 3.42Å; N386-Q388 HydrophobicContact CB-CG 4.45Å; N386-Q388 VanDerWaalsContact ND2-CD 3.31Å; N386-Q388 PolarHBondContact ND2-OE1 3.28Å; N386-Q388 PolarHBondContact O-N 3.05Å; N386-Q388 WeakPolarHBondContact OD1-CB 3.46Å; N386-Q388 PolarHBondContact OD1-N 2.93Å
387	F	91	Very high	89.4	Confident	50 Å²	50	53.2 Å²	53.2	22%	0.219	26%	0.26	C	S	.	.			trans	59.9	14.3	179.1	-45.1	-60	0	0	0	115.1	L328 I339 H340 F342 R383 R384	L328-F387 HydrophobicContact CD2-CD1 4.48Å; L328-F387 HydrophobicContact CD2-CE1 3.57Å; L328-F387 HydrophobicContact CD2-CZ 4.26Å; I339-F387 HydrophobicContact CG2-CE2 4.42Å; I339-F387 HydrophobicContact CG2-CZ 3.74Å; H340-F387 HydrophobicContact CB-CD1 3.89Å; H340-F387 HydrophobicContact CB-CD2 3.92Å; H340-F387 HydrophobicContact CB-CE1 3.92Å; H340-F387 HydrophobicContact CB-CE2 3.96Å; H340-F387 HydrophobicContact CB-CG 3.87Å; H340-F387 HydrophobicContact CB-CZ 3.96Å; H340-F387 AromaticContact CD2-CD2 3.38Å; H340-F387 WeakPolarHBondContact CD2-CD2 3.2Å; H340-F387 AromaticContact CD2-CG 3.59Å; H340-F387 AromaticContact CG-CD1 3.94Å; H340-F387 AromaticContact CG-CD2 3.65Å; H340-F387 AromaticContact CG-CG 3.49Å; H340-F387 VanDerWaalsContact CG-CG 3.49Å; H340-F387 AromaticContact ND1-CG 3.88Å; F342-F387 HydrophobicContact CE1-CB 3.88Å; F342-F387 HydrophobicContact CZ-CB 3.97Å; F342-F387 AromaticContact CZ-CD1 3.76Å; F342-F387 HydrophobicContact CZ-CD1 3.76Å; F342-F387 HydrophobicContact CZ-CG 4.24Å; R383-F387 WeakPolarHBondContact O-CA 3.04Å; R383-F387 PolarHBondContact O-N 3.44Å; R384-F387 WeakPolarHBondContact O-CD1 3.25Å; R384-F387 WeakPolarHBondContact O-CE1 3.48Å
388	Q	91.5	Very high	89.4	Confident	123 Å²	123	53.6 Å²	53.6	58%	0.575	26%	0.264	S	S	*	.			trans	-76	145.7	177.3	-68.1	179.5	-16	0	0	110.7	Y382 R383 N386 I390	Y382-Q388 CarbonylContact C-O 3.53Å; Y382-Q388 WeakPolarHBondContact CA-O 3.14Å; R383-Q388 PolarHBondContact N-O 3.36Å; N386-Q388 HydrophobicContact CB-CG 4.45Å; N386-Q388 VanDerWaalsContact ND2-CD 3.31Å; N386-Q388 PolarHBondContact ND2-OE1 3.28Å; N386-Q388 PolarHBondContact O-N 3.05Å; N386-Q388 WeakPolarHBondContact OD1-CB 3.46Å; N386-Q388 PolarHBondContact OD1-N 2.93Å; Q388-I390 PolarHBondContact O-N 2.88Å
389	L	91.3	Very high	89.4	Confident	73 Å²	73	52 Å²	52	38%	0.382	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	119.8	172	178.1	77.5	0	0	0	109	N380 Y382 K392	N380-L389 HydrophobicContact CB-CD1 4.11Å; Y382-L389 HydrophobicContact CD1-CB 4.11Å; Y382-L389 HydrophobicContact CD1-CD1 4.15Å; Y382-L389 HydrophobicContact CE1-CB 3.9Å; Y382-L389 HydrophobicContact CE1-CD1 3.67Å; Y382-L389 HydrophobicContact CE1-CG 4.42Å; Y382-L389 HydrophobicContact CE2-CD1 4.31Å; L389-K392 HydrophobicContact CD1-CD 4.35Å; L389-K392 HydrophobicContact CD1-CG 3.71Å; L389-K392 HydrophobicContact CD2-CD 3.73Å; L389-K392 HydrophobicContact CD2-CG 3.74Å; L389-K392 HydrophobicContact CG-CG 4.12Å
390	I	88.7	Confident	89.4	Confident	56 Å²	56	51.9 Å²	51.9	29%	0.287	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-53.4	176.7	-57.2	168.6	0	0	0	109.3	Y81 L83 V362 F381 R383 Q388	Y81-I390 HydrophobicContact CD2-CD1 3.89Å; Y81-I390 HydrophobicContact CD2-CG2 4.25Å; Y81-I390 HydrophobicContact CE2-CD1 4.14Å; Y81-I390 HydrophobicContact CE2-CG1 4.49Å; Y81-I390 HydrophobicContact CG-CD1 4.37Å; L83-I390 HydrophobicContact CD1-CG2 3.84Å; V362-I390 HydrophobicContact CB-CD1 4.46Å; V362-I390 HydrophobicContact CG1-CD1 3.99Å; V362-I390 HydrophobicContact CG2-CD1 3.74Å; F381-I390 HydrophobicContact CB-CB 4.35Å; F381-I390 PolarHBondContact O-N 2.9Å; R383-I390 HydrophobicContact CB-CD1 3.88Å; R383-I390 HydrophobicContact CB-CG1 3.97Å; Q388-I390 PolarHBondContact O-N 2.88Å
391	N	88.5	Confident	89.4	Confident	57 Å²	57	51.8 Å²	51.8	31%	0.305	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	151.9	-176.2	-156.4	-15.5	0	0	0	111.5	L83 I85 F381	L83-N391 HydrophobicContact CD1-CB 4.38Å; I85-N391 WeakPolarHBondContact CD1-ND2 3.33Å; F381-N391 HydrophobicContact CD2-CB 4.38Å; F381-N391 PolarHBondContact N-O 3.38Å; F381-N391 PolarHBondContact O-N 2.93Å
392	K	90.1	Very high	89.4	Confident	108 Å²	108	51.7 Å²	51.7	47%	0.47	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.9	170.6	-70.8	-178.1	165.5	171.5	0	108.4	N380 L389	N380-K392 WeakPolarHBondContact OD1-CG 3.24Å; L389-K392 HydrophobicContact CD1-CD 4.35Å; L389-K392 HydrophobicContact CD1-CG 3.71Å; L389-K392 HydrophobicContact CD2-CD 3.73Å; L389-K392 HydrophobicContact CD2-CG 3.74Å; L389-K392 HydrophobicContact CG-CG 4.12Å
393	F	86.8	Confident	89.4	Confident	55 Å²	55	50.8 Å²	50.8	24%	0.241	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.3	-175.7	179.3	-95.3	0	0	0	110.3	Q378 I379 P395 Y424	Q378-F393 CarbonylContact C-O 3.58Å; Q378-F393 WeakPolarHBondContact CA-O 3.45Å; I379-F393 PolarHBondContact N-O 2.87Å; I379-F393 PolarHBondContact O-N 3.29Å; F393-P395 HydrophobicContact CD1-CB 4.36Å; F393-P395 HydrophobicContact CE1-CB 3.85Å; F393-P395 VanDerWaalsContact O-CD 3.26Å; F393-P395 WeakPolarHBondContact O-CD 3.4Å; F393-Y424 HydrophobicContact CD1-CE1 4.35Å; F393-Y424 AromaticContact CE1-CD1 3.99Å; F393-Y424 HydrophobicContact CE1-CD1 3.99Å; F393-Y424 AromaticContact CE1-CE1 3.25Å; F393-Y424 HydrophobicContact CE1-CE1 3.25Å; F393-Y424 AromaticContact CE1-CE2 3.95Å; F393-Y424 HydrophobicContact CE1-CE2 3.95Å; F393-Y424 AromaticContact CE1-CZ 3.28Å; F393-Y424 WeakPolarHBondContact CE1-OH 3.46Å; F393-Y424 HydrophobicContact CZ-CD1 4.13Å; F393-Y424 AromaticContact CZ-CE1 3.35Å; F393-Y424 HydrophobicContact CZ-CE1 3.35Å; F393-Y424 AromaticContact CZ-CZ 3.81Å
394	S	88.5	Confident	89.5	Confident	60 Å²	60	49 Å²	49	42%	0.42	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	97.3	-178.9	-55.2	0	0	0	0	110	G377	G377-S394 WeakPolarHBondContact O-CA 3.45Å
395	P	81.8	Confident	89.8	Confident	16 Å²	16	48.2 Å²	48.2	10%	0.104	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-32.7	-174.6	26.5	-38.1	0	0	0	114.9	G377 I379 F393 V400 N422 Y424	G377-P395 WeakPolarHBondContact O-CD 3.42Å; I379-P395 HydrophobicContact CD1-CG 4.03Å; I379-P395 HydrophobicContact CG1-CG 4.16Å; F393-P395 HydrophobicContact CD1-CB 4.36Å; F393-P395 HydrophobicContact CE1-CB 3.85Å; F393-P395 VanDerWaalsContact O-CD 3.26Å; F393-P395 WeakPolarHBondContact O-CD 3.4Å; P395-V400 HydrophobicContact CG-CG2 3.36Å; P395-N422 PolarHBondContact O-ND2 3.28Å; P395-Y424 WeakPolarHBondContact CA-OH 3.33Å; P395-Y424 HydrophobicContact CB-CE2 3.74Å; P395-Y424 WeakPolarHBondContact CB-OH 3.26Å
396	C	78.9	Confident	90.1	Very high	22 Å²	22	44.3 Å²	44.3	15%	0.149	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	165.5	-170.1	-67.7	0	0	0	0	110.4	G377 G398 N422	G377-C396 PolarHBondContact N-O 3.38Å; C396-G398 VanDerWaalsContact C-N 3.33Å; C396-N422 PolarHBondContact SG-ND2 3.06Å
397	H	83.4	Confident	90.1	Very high	176 Å²	176	45.6 Å²	45.6	82%	0.815	23%	0.229	S	C	*	.	S	Bend	trans	-72	-30.9	171.5	-62.4	-57.9	0	0	0	111.7	G376	G376-H397 WeakPolarHBondContact CA-O 3.36Å
398	G	87.5	Confident	90.1	Very high	8 Å²	8	51 Å²	51	8%	0.082	25%	0.249	C	C	.	.	S	Bend	trans	-79.3	169.2	173.8	0	0	0	0	0	114.7	G377 C396 S417 D418	G377-G398 WeakPolarHBondContact CA-O 3.16Å; G377-G398 PolarHBondContact N-O 2.89Å; C396-G398 VanDerWaalsContact C-N 3.33Å; G398-S417 VanDerWaalsContact CA-OG 3.24Å; G398-S417 WeakPolarHBondContact CA-OG 3.29Å; G398-D418 VanDerWaalsContact CA-OD1 3.25Å; G398-D418 WeakPolarHBondContact CA-OD1 3.37Å; G398-D418 WeakPolarHBondContact CA-OD2 3.26Å; G398-D418 PolarHBondContact N-OD1 2.9Å; G398-D418 PolarHBondContact N-OD2 2.88Å
399	S	92.8	Very high	90.1	Very high	5 Å²	5	45.4 Å²	45.4	4%	0.035	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-63.3	142	175	-72.2	0	0	0	0	111.7	V369 S416 S417	V369-S399 PolarHBondContact N-OG 3.35Å; V369-S399 PolarHBondContact O-OG 3.37Å; S399-S416 CarbonylContact O-C 3.53Å; S399-S416 VanDerWaalsContact O-CA 3.31Å; S399-S416 WeakPolarHBondContact O-CA 3.29Å; S399-S417 PolarHBondContact N-OG 3.31Å; S399-S417 PolarHBondContact O-N 3.48Å
400	V	94.5	Very high	90	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.5	168.3	-173.8	0	0	0	0	109	A366 S368 I379 P395 C414	A366-V400 HydrophobicContact CB-CB 4.2Å; A366-V400 HydrophobicContact CB-CG1 3.78Å; S368-V400 PolarHBondContact OG-O 3.26Å; I379-V400 HydrophobicContact CG1-CG1 4.18Å; I379-V400 HydrophobicContact CG1-CG2 4.19Å; P395-V400 HydrophobicContact CG-CG2 3.36Å; V400-C414 HydrophobicContact CG1-CB 3.99Å
401	I	94.5	Very high	90.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-78.1	-175	-57.7	171.6	0	0	0	109.4	P97 L98 F349 Q351 S352 E353 A366 S415	P97-I401 HydrophobicContact CB-CD1 4.12Å; L98-I401 VanDerWaalsContact O-CD1 3.24Å; L98-I401 WeakPolarHBondContact O-CD1 3.37Å; F349-I401 HydrophobicContact CB-CD1 4.39Å; F349-I401 HydrophobicContact CB-CG1 4.13Å; F349-I401 HydrophobicContact CB-CG2 3.98Å; F349-I401 HydrophobicContact CD1-CD1 3.65Å; F349-I401 HydrophobicContact CD1-CG1 4.26Å; F349-I401 HydrophobicContact CD2-CD1 3.78Å; F349-I401 HydrophobicContact CD2-CG1 3.61Å; F349-I401 HydrophobicContact CE1-CD1 3.75Å; F349-I401 HydrophobicContact CE2-CD1 3.88Å; F349-I401 HydrophobicContact CE2-CG1 4.04Å; F349-I401 HydrophobicContact CG-CD1 3.66Å; F349-I401 HydrophobicContact CG-CG1 3.73Å; F349-I401 HydrophobicContact CG-CG2 4.41Å; F349-I401 HydrophobicContact CZ-CD1 3.86Å; Q351-I401 HydrophobicContact CB-CG2 3.93Å; S352-I401 WeakPolarHBondContact CA-O 3.24Å; E353-I401 PolarHBondContact N-O 3.09Å; E353-I401 VanDerWaalsContact N-O 3.1Å; A366-I401 WeakPolarHBondContact CB-O 3.31Å; I401-S415 PolarHBondContact N-O 3.38Å
402	G	93.7	Very high	90.5	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	148.4	176.8	0	0	0	0	0	112.6	E353 C414 S415	E353-G402 WeakPolarHBondContact OE2-CA 3.39Å; G402-C414 CarbonylContact O-C 3.58Å; G402-C414 VanDerWaalsContact O-CA 3.31Å; G402-C414 WeakPolarHBondContact O-CA 3.19Å; G402-S415 WeakPolarHBondContact CA-OG 3.27Å; G402-S415 PolarHBondContact N-OG 2.89Å; G402-S415 PolarHBondContact O-N 3.34Å; G402-S415 PolarHBondContact O-OG 3.44Å
403	L	94.9	Very high	90.7	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.016	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	113.4	-175.9	-178.8	68.9	0	0	0	110	E353 T355 A364 A366 I379 V412 F413 C414	E353-L403 HydrophobicContact CB-CB 4.29Å; E353-L403 PolarHBondContact OE2-N 2.84Å; T355-L403 HydrophobicContact CG2-CD2 4.29Å; T355-L403 HydrophobicContact CG2-CG 4.12Å; A364-L403 HydrophobicContact CB-CD2 3.77Å; A364-L403 WeakPolarHBondContact O-CD2 3.38Å; A366-L403 HydrophobicContact CB-CB 4.19Å; I379-L403 HydrophobicContact CD1-CD1 4Å; I379-L403 HydrophobicContact CG1-CD1 4.4Å; I379-L403 HydrophobicContact CG2-CD1 4.18Å; I379-L403 HydrophobicContact CG2-CD2 4.21Å; L403-V412 HydrophobicContact CD1-CG1 3.57Å; L403-F413 WeakPolarHBondContact CA-O 3.38Å; L403-C414 HydrophobicContact CD1-CB 4.1Å
404	T	94.3	Very high	91.1	Very high	39 Å²	39	30.3 Å²	30.3	24%	0.239	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.9	178.8	-69.9	0	0	0	0	110.1	V103 F413	V103-T404 HydrophobicContact CG2-CG2 4.26Å; T404-F413 PolarHBondContact N-O 2.92Å; T404-F413 PolarHBondContact O-N 3.4Å
405	W	94.6	Very high	91.4	Very high	13 Å²	13	27.4 Å²	27.4	5%	0.049	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	114.5	172.7	-164.8	-22.1	0	0	0	109.4	L83 P84 T355 P358 V362 A364 F381 N410 V412	L83-W405 HydrophobicContact CD2-CH2 3.83Å; P84-W405 HydrophobicContact CG-CZ2 4.32Å; T355-W405 HydrophobicContact CG2-CB 3.83Å; P358-W405 HydrophobicContact CG-CG 4.33Å; V362-W405 HydrophobicContact CB-CH2 4.37Å; V362-W405 HydrophobicContact CB-CZ3 4.17Å; V362-W405 HydrophobicContact CG1-CH2 4.43Å; V362-W405 HydrophobicContact CG1-CZ3 4.04Å; A364-W405 HydrophobicContact CB-CE3 4.27Å; F381-W405 HydrophobicContact CD1-CZ3 4.25Å; F381-W405 HydrophobicContact CE1-CZ3 4.1Å; W405-N410 PolarHBondContact NE1-OD1 2.92Å; W405-V412 HydrophobicContact CB-CG2 4.35Å; W405-V412 HydrophobicContact CD2-CG2 3.76Å; W405-V412 HydrophobicContact CE3-CG2 4.23Å; W405-V412 HydrophobicContact CG-CG2 3.8Å
406	H	94.4	Very high	92	Very high	7 Å²	7	26.7 Å²	26.7	3%	0.032	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.6	-178.5	-166.7	-90.4	0	0	0	112	V103 D104 P105 R408 L409 N410 Q411 F413	V103-H406 VanDerWaalsContact CG1-CD2 3.43Å; V103-H406 WeakPolarHBondContact CG1-CD2 3.42Å; D104-H406 PolarHBondContact O-NE2 2.92Å; P105-H406 PolarHBondContact O-CE1 3.41Å; P105-H406 PolarHBondContact O-NE2 3.31Å; H406-R408 PolarHBondContact ND1-N 2.88Å; H406-L409 HydrophobicContact CB-CB 4.34Å; H406-L409 HydrophobicContact CB-CD1 4.38Å; H406-L409 VanDerWaalsContact ND1-CG 3.32Å; H406-L409 WeakPolarHBondContact ND1-CG 3.49Å; H406-L409 PolarHBondContact ND1-N 3.49Å; H406-L409 VanDerWaalsContact ND1-N 3.17Å; H406-N410 WeakPolarHBondContact O-CA 3.33Å; H406-N410 PolarHBondContact O-N 3.23Å; H406-Q411 PolarHBondContact N-O 2.95Å; H406-F413 HydrophobicContact CB-CD2 4.27Å; H406-F413 HydrophobicContact CB-CE2 3.72Å
407	H	90	Very high	92.7	Very high	86 Å²	86	26.8 Å²	26.8	40%	0.398	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-34	-171.5	63.2	-75.7	0	0	0	115.1	W311 P358	W311-H407 HydrophobicContact CH2-CB 4.05Å; W311-H407 AromaticContact CH2-CG 3.89Å; W311-H407 AromaticContact CH2-ND1 3.89Å; W311-H407 HydrophobicContact CZ2-CB 3.86Å; P358-H407 HydrophobicContact CB-CB 3.84Å; P358-H407 HydrophobicContact CG-CB 4.06Å
408	R	90.5	Very high	93.1	Very high	165 Å²	165	21.6 Å²	21.6	62%	0.623	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-29.2	-179.9	-52.6	-179.6	65.6	-179.2	-1.9	114.6	P105 H406	P105-R408 WeakPolarHBondContact O-CD 3.45Å; H406-R408 PolarHBondContact ND1-N 2.88Å
409	L	91.3	Very high	93.3	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.021	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-21.6	-175.3	-62.8	175.5	0	0	0	111.5	H406 Q411 F413 S430 H431 N432	H406-L409 HydrophobicContact CB-CB 4.34Å; H406-L409 HydrophobicContact CB-CD1 4.38Å; H406-L409 VanDerWaalsContact ND1-CG 3.32Å; H406-L409 WeakPolarHBondContact ND1-CG 3.49Å; H406-L409 PolarHBondContact ND1-N 3.49Å; H406-L409 VanDerWaalsContact ND1-N 3.17Å; L409-Q411 HydrophobicContact CB-CB 4.2Å; L409-Q411 HydrophobicContact CB-CG 3.87Å; L409-F413 HydrophobicContact CD1-CE2 4.43Å; L409-F413 HydrophobicContact CD1-CZ 4.18Å; L409-S430 VanDerWaalsContact O-CA 3.25Å; L409-S430 WeakPolarHBondContact O-CA 3.36Å; L409-S430 WeakPolarHBondContact O-CB 3.33Å; L409-H431 WeakPolarHBondContact CD2-O 3.49Å; L409-H431 PolarHBondContact O-N 3.45Å; L409-N432 HydrophobicContact CD2-CB 3.75Å
410	N	90.8	Very high	93.3	Very high	30 Å²	30	22.8 Å²	22.8	16%	0.16	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	59.4	-162.6	-167.7	29	0	0	0	112	Y82 P84 W405 H406 V429 S430	Y82-N410 PolarHBondContact O-ND2 2.95Å; P84-N410 WeakPolarHBondContact CB-O 3.3Å; P84-N410 WeakPolarHBondContact CG-O 3.46Å; W405-N410 PolarHBondContact NE1-OD1 2.92Å; H406-N410 WeakPolarHBondContact O-CA 3.33Å; H406-N410 PolarHBondContact O-N 3.23Å; N410-V429 WeakPolarHBondContact ND2-CG1 3.33Å; N410-S430 PolarHBondContact O-OG 3.48Å
411	Q	93	Very high	93.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.2	178.3	-65.5	178.3	10.5	0	0	109.5	H406 L409 F413 V423 Y424 H431 N432	H406-Q411 PolarHBondContact N-O 2.95Å; L409-Q411 HydrophobicContact CB-CB 4.2Å; L409-Q411 HydrophobicContact CB-CG 3.87Å; Q411-F413 HydrophobicContact CB-CE2 3.8Å; Q411-F413 HydrophobicContact CB-CZ 4.21Å; Q411-V423 HydrophobicContact CB-CG1 4.3Å; Q411-Y424 WeakPolarHBondContact CA-O 3.44Å; Q411-H431 PolarHBondContact NE2-O 3.5Å; Q411-N432 PolarHBondContact NE2-O 3.37Å
412	V	94.4	Very high	93.3	Very high	1 Å²	1	23 Å²	23	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119	179.2	173.8	0	0	0	0	109.4	P84 L403 W405 Y424	P84-V412 HydrophobicContact CG-CG2 3.82Å; L403-V412 HydrophobicContact CD1-CG1 3.57Å; W405-V412 HydrophobicContact CB-CG2 4.35Å; W405-V412 HydrophobicContact CD2-CG2 3.76Å; W405-V412 HydrophobicContact CE3-CG2 4.23Å; W405-V412 HydrophobicContact CG-CG2 3.8Å; V412-Y424 PolarHBondContact N-O 2.95Å; V412-Y424 PolarHBondContact O-N 3.38Å
413	F	95	Very high	93.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127	178.1	-63.2	-97.5	0	0	0	108.4	I101 V103 V110 F124 L403 T404 H406 L409 Q411 V423	I101-F413 HydrophobicContact CD1-CB 3.78Å; I101-F413 HydrophobicContact CD1-CD1 4.37Å; I101-F413 HydrophobicContact CG1-CB 4.39Å; V103-F413 HydrophobicContact CG1-CE2 4.22Å; V103-F413 HydrophobicContact CG1-CZ 4.19Å; V103-F413 HydrophobicContact CG2-CB 4.31Å; V103-F413 HydrophobicContact CG2-CD1 3.91Å; V103-F413 HydrophobicContact CG2-CD2 3.75Å; V103-F413 HydrophobicContact CG2-CE1 4.16Å; V103-F413 HydrophobicContact CG2-CE2 4.02Å; V103-F413 HydrophobicContact CG2-CG 3.71Å; V103-F413 HydrophobicContact CG2-CZ 4.23Å; V110-F413 HydrophobicContact CG1-CD1 4.48Å; V110-F413 HydrophobicContact CG2-CD1 4.14Å; V110-F413 HydrophobicContact CG2-CE1 3.63Å; V110-F413 HydrophobicContact CG2-CZ 4.38Å; F124-F413 AromaticContact CE2-CE1 3.91Å; F124-F413 HydrophobicContact CE2-CE1 3.91Å; F124-F413 HydrophobicContact CE2-CZ 4.15Å; F124-F413 AromaticContact CZ-CE1 3.8Å; F124-F413 HydrophobicContact CZ-CE1 3.8Å; F124-F413 HydrophobicContact CZ-CZ 4.42Å; L403-F413 WeakPolarHBondContact CA-O 3.38Å; T404-F413 PolarHBondContact N-O 2.92Å; T404-F413 PolarHBondContact O-N 3.4Å; H406-F413 HydrophobicContact CB-CD2 4.27Å; H406-F413 HydrophobicContact CB-CE2 3.72Å; L409-F413 HydrophobicContact CD1-CE2 4.43Å; L409-F413 HydrophobicContact CD1-CZ 4.18Å; Q411-F413 HydrophobicContact CB-CE2 3.8Å; Q411-F413 HydrophobicContact CB-CZ 4.21Å; F413-V423 HydrophobicContact CD1-CB 4.17Å; F413-V423 HydrophobicContact CD1-CG1 3.8Å; F413-V423 HydrophobicContact CD1-CG2 3.51Å; F413-V423 HydrophobicContact CE1-CB 4.11Å; F413-V423 HydrophobicContact CE1-CG1 3.42Å; F413-V423 VanDerWaalsContact CE1-CG1 3.42Å; F413-V423 HydrophobicContact CE1-CG2 3.56Å; F413-V423 HydrophobicContact CE2-CG1 4.32Å; F413-V423 HydrophobicContact CG-CG1 4.37Å; F413-V423 HydrophobicContact CZ-CG1 3.71Å
414	C	94.9	Very high	93.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.8	174.2	75	0	0	0	0	111.5	I379 V400 G402 L403 A421 N422	I379-C414 HydrophobicContact CD1-CB 3.77Å; V400-C414 HydrophobicContact CG1-CB 3.99Å; G402-C414 CarbonylContact O-C 3.58Å; G402-C414 VanDerWaalsContact O-CA 3.31Å; G402-C414 WeakPolarHBondContact O-CA 3.19Å; L403-C414 HydrophobicContact CD1-CB 4.1Å; C414-A421 CarbonylContact O-C 3.5Å; C414-A421 VanDerWaalsContact O-CA 3.24Å; C414-A421 WeakPolarHBondContact O-CA 3.34Å; C414-N422 PolarHBondContact N-O 3.32Å; C414-N422 PolarHBondContact O-N 3.41Å
415	S	94.9	Very high	93.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.8	172.1	52.7	0	0	0	0	110.1	I401 G402	I401-S415 PolarHBondContact N-O 3.38Å; G402-S415 WeakPolarHBondContact CA-OG 3.27Å; G402-S415 PolarHBondContact N-OG 2.89Å; G402-S415 PolarHBondContact O-N 3.34Å; G402-S415 PolarHBondContact O-OG 3.44Å
416	S	94.2	Very high	92.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	159.2	-178.3	75.6	0	0	0	0	112.8	L98 S399 D418 G419 V420	L98-S416 PolarHBondContact N-O 3.12Å; L98-S416 VanDerWaalsContact N-O 3.11Å; S399-S416 CarbonylContact O-C 3.53Å; S399-S416 VanDerWaalsContact O-CA 3.31Å; S399-S416 WeakPolarHBondContact O-CA 3.29Å; S416-D418 PolarHBondContact O-N 2.93Å; S416-D418 PolarHBondContact OG-N 3.45Å; S416-G419 PolarHBondContact O-N 3.47Å; S416-V420 PolarHBondContact N-O 3.12Å; S416-V420 PolarHBondContact OG-O 3.35Å
417	S	93.5	Very high	92.4	Very high	24 Å²	24	25.2 Å²	25.2	17%	0.168	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.9	173.7	66.4	0	0	0	0	113.9	P97 G398 S399 G419	P97-S417 VanDerWaalsContact CA-O 3.29Å; P97-S417 WeakPolarHBondContact CA-O 3.2Å; P97-S417 WeakPolarHBondContact CG-O 3.16Å; G398-S417 VanDerWaalsContact CA-OG 3.24Å; G398-S417 WeakPolarHBondContact CA-OG 3.29Å; S399-S417 PolarHBondContact N-OG 3.31Å; S399-S417 PolarHBondContact O-N 3.48Å; S417-G419 PolarHBondContact O-N 3.03Å
418	D	90.9	Very high	92.2	Very high	67 Å²	67	28.2 Å²	28.2	36%	0.358	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-6.7	-179.9	-59.9	-22.3	0	0	0	112.3	G398 S416	G398-D418 VanDerWaalsContact CA-OD1 3.25Å; G398-D418 WeakPolarHBondContact CA-OD1 3.37Å; G398-D418 WeakPolarHBondContact CA-OD2 3.26Å; G398-D418 PolarHBondContact N-OD1 2.9Å; G398-D418 PolarHBondContact N-OD2 2.88Å; S416-D418 PolarHBondContact O-N 2.93Å; S416-D418 PolarHBondContact OG-N 3.45Å
419	G	91.7	Very high	92	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	88	20.9	-178.3	0	0	0	0	0	114.2	H93 G94 K96 S416 S417	H93-G419 WeakPolarHBondContact CB-O 3.36Å; H93-G419 PolarHBondContact N-O 3.45Å; H93-G419 VanDerWaalsContact N-O 3.13Å; G94-G419 PolarHBondContact N-O 2.89Å; G94-G419 CarbonylContact O-C 3.59Å; G94-G419 WeakPolarHBondContact O-CA 3.2Å; K96-G419 WeakPolarHBondContact O-CA 3.2Å; S416-G419 PolarHBondContact O-N 3.47Å; S417-G419 PolarHBondContact O-N 3.03Å
420	V	94	Very high	91.8	Very high	39 Å²	39	21.5 Å²	21.5	24%	0.236	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.9	-179.8	-171	0	0	0	0	109.6	L91 L98 S416 N422	L91-V420 WeakPolarHBondContact O-CG1 3.43Å; L98-V420 VanDerWaalsContact CD1-C 3.43Å; S416-V420 PolarHBondContact N-O 3.12Å; S416-V420 PolarHBondContact OG-O 3.35Å; V420-N422 VanDerWaalsContact CG1-OD1 3.31Å; V420-N422 WeakPolarHBondContact CG1-OD1 3.42Å
421	A	94.8	Very high	91.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.8	168.4	0	0	0	0	0	109.2	L91 L98 I101 T112 C414	L91-A421 HydrophobicContact CB-CB 4.21Å; L91-A421 WeakPolarHBondContact CB-O 3.25Å; L91-A421 PolarHBondContact N-O 3.23Å; L91-A421 PolarHBondContact O-N 2.89Å; L98-A421 HydrophobicContact CD1-CB 3.92Å; I101-A421 HydrophobicContact CD1-CB 3.97Å; T112-A421 HydrophobicContact CG2-CB 3.76Å; C414-A421 CarbonylContact O-C 3.5Å; C414-A421 VanDerWaalsContact O-CA 3.24Å; C414-A421 WeakPolarHBondContact O-CA 3.34Å
422	N	93.9	Very high	91.4	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.7	178.4	-67.1	-12	0	0	0	110.1	L89 T90 P395 C396 C414 V420 Y424	L89-N422 CarbonylContact O-C 3.59Å; L89-N422 WeakPolarHBondContact O-CA 3.36Å; T90-N422 WeakPolarHBondContact CG2-OD1 3.29Å; P395-N422 PolarHBondContact O-ND2 3.28Å; C396-N422 PolarHBondContact SG-ND2 3.06Å; C414-N422 PolarHBondContact N-O 3.32Å; C414-N422 PolarHBondContact O-N 3.41Å; V420-N422 VanDerWaalsContact CG1-OD1 3.31Å; V420-N422 WeakPolarHBondContact CG1-OD1 3.42Å; N422-Y424 HydrophobicContact CB-CD2 4.4Å; N422-Y424 HydrophobicContact CB-CE2 3.57Å; N422-Y424 PolarHBondContact ND2-OH 3.45Å; N422-Y424 VanDerWaalsContact ND2-OH 3.07Å
423	V	93.7	Very high	91	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	115	173.6	-170.2	0	0	0	0	107.9	N88 L89 L91 F124 Q411 F413 A434	N88-V423 CarbonylContact C-O 3.45Å; N88-V423 WeakPolarHBondContact CA-O 3.43Å; L89-V423 HydrophobicContact CB-CB 4.22Å; L89-V423 PolarHBondContact N-O 3.15Å; L89-V423 PolarHBondContact O-N 3.05Å; L91-V423 HydrophobicContact CD1-CG2 4.15Å; L91-V423 HydrophobicContact CG-CG2 4.44Å; F124-V423 HydrophobicContact CZ-CG2 4.22Å; Q411-V423 HydrophobicContact CB-CG1 4.3Å; F413-V423 HydrophobicContact CD1-CB 4.17Å; F413-V423 HydrophobicContact CD1-CG1 3.8Å; F413-V423 HydrophobicContact CD1-CG2 3.51Å; F413-V423 HydrophobicContact CE1-CB 4.11Å; F413-V423 HydrophobicContact CE1-CG1 3.42Å; F413-V423 VanDerWaalsContact CE1-CG1 3.42Å; F413-V423 HydrophobicContact CE1-CG2 3.56Å; F413-V423 HydrophobicContact CE2-CG1 4.32Å; F413-V423 HydrophobicContact CG-CG1 4.37Å; F413-V423 HydrophobicContact CZ-CG1 3.71Å; V423-A434 HydrophobicContact CB-CB 4.49Å; V423-A434 HydrophobicContact CG1-CB 3.98Å
424	Y	93.6	Very high	90.6	Very high	5 Å²	5	30.2 Å²	30.2	2%	0.02	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	131	174.7	-64.8	-81.7	0	0	0	109.8	P84 Q87 N88 F393 P395 Q411 V412 N422	P84-Y424 CarbonylContact O-C 3.54Å; P84-Y424 WeakPolarHBondContact O-CB 3.18Å; Q87-Y424 WeakPolarHBondContact O-CA 3.34Å; N88-Y424 HydrophobicContact CB-CD1 3.81Å; N88-Y424 HydrophobicContact CB-CE1 3.45Å; N88-Y424 VanDerWaalsContact CB-CE1 3.45Å; F393-Y424 HydrophobicContact CD1-CE1 4.35Å; F393-Y424 AromaticContact CE1-CD1 3.99Å; F393-Y424 HydrophobicContact CE1-CD1 3.99Å; F393-Y424 AromaticContact CE1-CE1 3.25Å; F393-Y424 HydrophobicContact CE1-CE1 3.25Å; F393-Y424 AromaticContact CE1-CE2 3.95Å; F393-Y424 HydrophobicContact CE1-CE2 3.95Å; F393-Y424 AromaticContact CE1-CZ 3.28Å; F393-Y424 WeakPolarHBondContact CE1-OH 3.46Å; F393-Y424 HydrophobicContact CZ-CD1 4.13Å; F393-Y424 AromaticContact CZ-CE1 3.35Å; F393-Y424 HydrophobicContact CZ-CE1 3.35Å; F393-Y424 AromaticContact CZ-CZ 3.81Å; P395-Y424 WeakPolarHBondContact CA-OH 3.33Å; P395-Y424 HydrophobicContact CB-CE2 3.74Å; P395-Y424 WeakPolarHBondContact CB-OH 3.26Å; Q411-Y424 WeakPolarHBondContact CA-O 3.44Å; V412-Y424 PolarHBondContact N-O 2.95Å; V412-Y424 PolarHBondContact O-N 3.38Å; N422-Y424 HydrophobicContact CB-CD2 4.4Å; N422-Y424 HydrophobicContact CB-CE2 3.57Å; N422-Y424 PolarHBondContact ND2-OH 3.45Å; N422-Y424 VanDerWaalsContact ND2-OH 3.07Å
425	Y	91.2	Very high	90.2	Very high	13 Å²	13	31.8 Å²	31.8	5%	0.051	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	160.2	-178.6	67.7	-87.1	0	0	0	109.2	P84 T86 Q87 L89 A434 L435 A438	P84-Y425 PolarHBondContact O-N 3.43Å; T86-Y425 PolarHBondContact OG1-O 3.11Å; Q87-Y425 HydrophobicContact CB-CD1 4.44Å; Q87-Y425 HydrophobicContact CB-CD2 4.21Å; Q87-Y425 HydrophobicContact CB-CE1 3.98Å; Q87-Y425 HydrophobicContact CB-CE2 3.73Å; Q87-Y425 HydrophobicContact CG-CE2 4.39Å; Q87-Y425 PolarHBondContact N-O 3.25Å; Q87-Y425 PolarHBondContact O-N 3.16Å; Q87-Y425 VanDerWaalsContact O-N 3.09Å; Q87-Y425 VanDerWaalsContact OE1-CZ 3.27Å; Q87-Y425 PolarHBondContact OE1-OH 3.17Å; L89-Y425 HydrophobicContact CB-CE1 4.16Å; Y425-A434 HydrophobicContact CD1-CB 3.64Å; Y425-A434 HydrophobicContact CE1-CB 4.02Å; Y425-A434 HydrophobicContact CG-CB 4.16Å; Y425-L435 HydrophobicContact CD2-CD2 3.53Å; Y425-L435 HydrophobicContact CD2-CG 3.99Å; Y425-L435 HydrophobicContact CE2-CD2 3.47Å; Y425-L435 VanDerWaalsContact CE2-CD2 3.47Å; Y425-L435 HydrophobicContact CE2-CG 4.27Å; Y425-A438 WeakPolarHBondContact OH-CB 3.3Å
426	D	89.5	Confident	89.8	Confident	22 Å²	22	35.3 Å²	35.3	12%	0.118	19%	0.185	C	C	.	.			trans	-120.7	130	168.7	-175.2	12.8	0	0	0	109.7	T86 K428 V429 S430	T86-D426 HydrophobicContact CG2-CB 4.28Å; T86-D426 VanDerWaalsContact OG1-CA 3.27Å; T86-D426 WeakPolarHBondContact OG1-CA 3.4Å; T86-D426 WeakPolarHBondContact OG1-CB 3.35Å; T86-D426 VanDerWaalsContact OG1-CG 3.24Å; T86-D426 PolarHBondContact OG1-OD1 2.76Å; D426-K428 PolarHBondContact O-N 3.21Å; D426-V429 HydrophobicContact CB-CB 4.37Å; D426-V429 HydrophobicContact CB-CG2 4.46Å; D426-V429 PolarHBondContact O-N 3.08Å; D426-V429 WeakPolarHBondContact OD2-CG2 3.4Å; D426-S430 PolarHBondContact N-OG 3.49Å; D426-S430 WeakPolarHBondContact O-CA 3.43Å; D426-S430 WeakPolarHBondContact O-CB 3.28Å; D426-S430 PolarHBondContact O-N 3.1Å; D426-S430 PolarHBondContact O-OG 3.12Å
427	S	85.8	Confident	89.2	Confident	68 Å²	68	35.3 Å²	35.3	48%	0.476	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-22.7	-175.4	-170.6	0	0	0	0	113.3
428	K	85.6	Confident	88.5	Confident	149 Å²	149	34.9 Å²	34.9	65%	0.648	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-37.8	177.6	-63.8	-173.1	-176.9	-177.4	0	112.5	D76 D426	D76-K428 IonicContact OD1-NZ 2.92Å; D76-K428 IonicContact OD2-NZ 3.48Å; D76-K428 PolarHBondContact OD2-NZ 3.18Å; D426-K428 PolarHBondContact O-N 3.21Å
429	V	85.5	Confident	87.9	Confident	24 Å²	24	38.3 Å²	38.3	15%	0.145	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-37.9	-166.9	-172.2	0	0	0	0	112.3	Y82 N410 D426 H431	Y82-V429 HydrophobicContact CD1-CG1 4.02Å; Y82-V429 HydrophobicContact CD1-CG2 3.6Å; Y82-V429 HydrophobicContact CE1-CG2 4.46Å; Y82-V429 HydrophobicContact CG-CG1 4.13Å; Y82-V429 HydrophobicContact CG-CG2 4.39Å; N410-V429 WeakPolarHBondContact ND2-CG1 3.33Å; D426-V429 HydrophobicContact CB-CB 4.37Å; D426-V429 HydrophobicContact CB-CG2 4.46Å; D426-V429 PolarHBondContact O-N 3.08Å; D426-V429 WeakPolarHBondContact OD2-CG2 3.4Å; V429-H431 PolarHBondContact O-CE1 2.85Å; V429-H431 PolarHBondContact O-ND1 3.02Å
430	S	87.5	Confident	87.3	Confident	4 Å²	4	43.8 Å²	43.8	3%	0.028	22%	0.222	C	C	.	.			trans	-73.9	153.2	-179.6	-56.4	0	0	0	0	110.5	L409 N410 D426 L435	L409-S430 VanDerWaalsContact O-CA 3.25Å; L409-S430 WeakPolarHBondContact O-CA 3.36Å; L409-S430 WeakPolarHBondContact O-CB 3.33Å; N410-S430 PolarHBondContact O-OG 3.48Å; D426-S430 PolarHBondContact N-OG 3.49Å; D426-S430 WeakPolarHBondContact O-CA 3.43Å; D426-S430 WeakPolarHBondContact O-CB 3.28Å; D426-S430 PolarHBondContact O-N 3.1Å; D426-S430 PolarHBondContact O-OG 3.12Å; S430-L435 WeakPolarHBondContact O-CD1 3.3Å
431	H	87.1	Confident	86.3	Confident	105 Å²	105	49.4 Å²	49.4	49%	0.486	25%	0.246	S	C	.	.			trans	-125.6	144.8	179.5	-52.4	-37.5	0	0	0	109.7	L409 Q411 V429	L409-H431 WeakPolarHBondContact CD2-O 3.49Å; L409-H431 PolarHBondContact O-N 3.45Å; Q411-H431 PolarHBondContact NE2-O 3.5Å; V429-H431 PolarHBondContact O-CE1 2.85Å; V429-H431 PolarHBondContact O-ND1 3.02Å
432	N	87.7	Confident	85.1	Confident	109 Å²	109	50.8 Å²	50.8	58%	0.583	26%	0.257	S	S	*	.	S	Bend	trans	47.6	-147	176	-61.3	-29.5	0	0	0	113.6	L409 Q411 A434 L435	L409-N432 HydrophobicContact CD2-CB 3.75Å; Q411-N432 PolarHBondContact NE2-O 3.37Å; N432-A434 PolarHBondContact O-N 3.34Å; N432-L435 WeakPolarHBondContact O-CB 3.47Å; N432-L435 PolarHBondContact O-N 3.31Å; N432-L435 VanDerWaalsContact O-N 3.1Å
433	G	86.6	Confident	84	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	-124.6	175.9	0	0	0	0	0	112	F124 L435 M436	F124-G433 WeakPolarHBondContact CB-O 3.3Å; G433-L435 PolarHBondContact O-N 3.47Å; G433-L435 VanDerWaalsContact O-N 3.09Å; G433-M436 WeakPolarHBondContact O-CB 3.33Å; G433-M436 PolarHBondContact O-N 2.57Å
434	A	86.1	Confident	82.6	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-53.4	-31.3	179.4	0	0	0	0	0	114.3	L89 V423 Y425 N432 M436 C437 A438	L89-A434 HydrophobicContact CB-CB 4.36Å; L89-A434 HydrophobicContact CD2-CB 3.93Å; V423-A434 HydrophobicContact CB-CB 4.49Å; V423-A434 HydrophobicContact CG1-CB 3.98Å; Y425-A434 HydrophobicContact CD1-CB 3.64Å; Y425-A434 HydrophobicContact CE1-CB 4.02Å; Y425-A434 HydrophobicContact CG-CB 4.16Å; N432-A434 PolarHBondContact O-N 3.34Å; A434-M436 PolarHBondContact O-N 3.05Å; A434-C437 PolarHBondContact O-N 3.18Å; A434-A438 PolarHBondContact O-N 3.38Å
435	L	86.6	Confident	81.1	Confident	35 Å²	35	61.9 Å²	61.9	18%	0.183	33%	0.329	C	S	.	.	H	α-helix	trans	-61.2	-28.2	178.3	-68.7	166.3	0	0	0	112.8	Y425 S430 N432 G433 C437	Y425-L435 HydrophobicContact CD2-CD2 3.53Å; Y425-L435 HydrophobicContact CD2-CG 3.99Å; Y425-L435 HydrophobicContact CE2-CD2 3.47Å; Y425-L435 VanDerWaalsContact CE2-CD2 3.47Å; Y425-L435 HydrophobicContact CE2-CG 4.27Å; S430-L435 WeakPolarHBondContact O-CD1 3.3Å; N432-L435 WeakPolarHBondContact O-CB 3.47Å; N432-L435 PolarHBondContact O-N 3.31Å; N432-L435 VanDerWaalsContact O-N 3.1Å; G433-L435 PolarHBondContact O-N 3.47Å; G433-L435 VanDerWaalsContact O-N 3.09Å; L435-C437 VanDerWaalsContact C-N 3.31Å; L435-C437 PolarHBondContact O-N 3.22Å
436	M	85.5	Confident	79.8	Confident	73 Å²	73	62.3 Å²	62.3	36%	0.36	33%	0.333	S	S	.	.	H	α-helix	trans	-68.8	-30.7	177.1	-59.5	-170.3	-64.6	0	0	112.3	F124 G433 A434	F124-M436 HydrophobicContact CB-CE 3.55Å; G433-M436 WeakPolarHBondContact O-CB 3.33Å; G433-M436 PolarHBondContact O-N 2.57Å; A434-M436 PolarHBondContact O-N 3.05Å
437	C	83	Confident	78.4	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-88.8	-39.5	179.3	-71.1	0	0	0	0	112.9	L89 F124 M127 A434 L435 N439 R440	L89-C437 HydrophobicContact CD2-CB 4.31Å; F124-C437 WeakPolarHBondContact CA-SG 3.42Å; F124-C437 PolarHBondContact O-SG 3.29Å; M127-C437 WeakPolarHBondContact CB-SG 3.49Å; A434-C437 PolarHBondContact O-N 3.18Å; L435-C437 VanDerWaalsContact C-N 3.31Å; L435-C437 PolarHBondContact O-N 3.22Å; C437-N439 VanDerWaalsContact C-N 3.29Å; C437-N439 PolarHBondContact O-N 2.88Å; C437-R440 PolarHBondContact O-N 3.42Å
438	A	78.9	Confident	77.1	Confident	15 Å²	15	74.3 Å²	74.3	12%	0.124	37%	0.367	C	S	.	.	H	α-helix	trans	-55.7	-41.9	-168	0	0	0	0	0	113.1	Y425 A434	Y425-A438 WeakPolarHBondContact OH-CB 3.3Å; A434-A438 PolarHBondContact O-N 3.38Å
439	N	77	Confident	75.7	Confident	139 Å²	139	76.5 Å²	76.5	74%	0.743	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-3.3	-178	-66.2	-27.5	0	0	0	113.6	C437 Q441	C437-N439 VanDerWaalsContact C-N 3.29Å; C437-N439 PolarHBondContact O-N 2.88Å; N439-Q441 PolarHBondContact O-N 3.28Å
440	R	79.9	Confident	74.1	Confident	115 Å²	115	82.1 Å²	82.1	43%	0.434	40%	0.395	S	S	.	.			trans	-85.7	110.1	-174.3	-163.8	175.2	-170.6	176.2	4.9	110.6	G125 N129 C437	G125-R440 PolarHBondContact O-NH1 3.08Å; N129-R440 PolarHBondContact N-O 3.01Å; C437-R440 PolarHBondContact O-N 3.42Å
441	Q	73.6	Confident	72.3	Confident	158 Å²	158	87.8 Å²	87.8	74%	0.738	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-62.4	138.8	175.2	-66.3	-172.4	2.4	0	0	111.2	N439 T443	N439-Q441 PolarHBondContact O-N 3.28Å; Q441-T443 PolarHBondContact O-N 2.9Å; Q441-T443 VanDerWaalsContact O-N 3.09Å
442	A	69.7	Low	69.9	Low	28 Å²	28	85 Å²	85	23%	0.231	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-58.5	116.4	177.3	0	0	0	0	0	110.7	D128 R447	D128-A442 VanDerWaalsContact OD2-CA 3.28Å; D128-A442 WeakPolarHBondContact OD2-CA 3.02Å; D128-A442 VanDerWaalsContact OD2-CB 3.32Å; D128-A442 WeakPolarHBondContact OD2-CB 3.14Å; A442-R447 HydrophobicContact CB-CG 4.21Å; A442-R447 PolarHBondContact O-NE 2.78Å; A442-R447 VanDerWaalsContact O-NE 3.15Å
443	T	69.2	Low	67.4	Low	70 Å²	70	87.1 Å²	87.1	43%	0.429	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-61.8	153	178.1	64.7	0	0	0	0	110.5	Q441 S445 S446 R447	Q441-T443 PolarHBondContact O-N 2.9Å; Q441-T443 VanDerWaalsContact O-N 3.09Å; T443-S445 PolarHBondContact O-N 2.88Å; T443-S445 VanDerWaalsContact O-N 3.12Å; T443-S446 WeakPolarHBondContact O-CA 3.39Å; T443-S446 WeakPolarHBondContact O-CB 3.33Å; T443-S446 PolarHBondContact O-N 3.02Å; T443-S446 PolarHBondContact OG1-N 2.83Å; T443-R447 PolarHBondContact O-N 2.97Å
444	T	64.5	Low	65	Low	96 Å²	96	89.9 Å²	89.9	59%	0.589	48%	0.475	S	S	*	.	H	α-helix	trans	-53.8	-34.9	177	-49.3	0	0	0	0	112.1	R447 R448	T444-R447 PolarHBondContact O-N 2.81Å; T444-R448 WeakPolarHBondContact O-CG 3.37Å; T444-R448 PolarHBondContact O-N 3.19Å
445	S	63.6	Low	62.5	Low	77 Å²	77	97.5 Å²	97.5	54%	0.538	51%	0.511	S	S	.	.	H	α-helix	trans	-65.4	-42.2	174.9	-60.2	0	0	0	0	112.8	T443 R447 R448 R449	T443-S445 PolarHBondContact O-N 2.88Å; T443-S445 VanDerWaalsContact O-N 3.12Å; S445-R447 VanDerWaalsContact C-N 3.35Å; S445-R448 PolarHBondContact O-N 2.91Å; S445-R449 WeakPolarHBondContact O-CG 3.19Å; S445-R449 PolarHBondContact O-N 2.59Å; S445-R449 VanDerWaalsContact O-N 3.09Å
446	S	63.2	Low	60.3	Low	21 Å²	21	100.6 Å²	100.6	15%	0.147	54%	0.542	C	S	.	.	H	α-helix	trans	-63.6	-41.6	174.1	-179.9	0	0	0	0	111.6	D128 T443 R448 R449 H450	D128-S446 WeakPolarHBondContact OD2-CB 3.42Å; D128-S446 PolarHBondContact OD2-OG 3.29Å; T443-S446 WeakPolarHBondContact O-CA 3.39Å; T443-S446 WeakPolarHBondContact O-CB 3.33Å; T443-S446 PolarHBondContact O-N 3.02Å; T443-S446 PolarHBondContact OG1-N 2.83Å; S446-R448 PolarHBondContact O-N 3.13Å; S446-R449 PolarHBondContact O-N 3.29Å; S446-H450 PolarHBondContact O-N 2.99Å; S446-H450 VanDerWaalsContact O-N 3.16Å
447	R	60.6	Low	58	Low	152 Å²	152	106.7 Å²	106.7	57%	0.574	56%	0.562	S	S	*	*	H	α-helix	trans	-61.6	-43.3	174.6	-64.8	-178	-169.9	-167.9	-1.4	112.2	A442 T443 T444 S445 R449 H450	A442-R447 HydrophobicContact CB-CG 4.21Å; A442-R447 PolarHBondContact O-NE 2.78Å; A442-R447 VanDerWaalsContact O-NE 3.15Å; T443-R447 PolarHBondContact O-N 2.97Å; T444-R447 PolarHBondContact O-N 2.81Å; S445-R447 VanDerWaalsContact C-N 3.35Å; R447-R449 VanDerWaalsContact C-N 3.32Å; R447-R449 PolarHBondContact O-N 3.31Å; R447-H450 WeakPolarHBondContact O-CA 3.46Å; R447-H450 WeakPolarHBondContact O-CB 3.47Å; R447-H450 PolarHBondContact O-N 3.05Å
448	R	57.8	Low	55.7	Low	190 Å²	190	115 Å²	115	72%	0.717	60%	0.603	S	S	*	*	H	α-helix	trans	-62.9	-36.2	175.7	-76.1	-177.9	-177.5	-174.9	1.4	112.8	T444 S445 S446 H450 T451	T444-R448 WeakPolarHBondContact O-CG 3.37Å; T444-R448 PolarHBondContact O-N 3.19Å; S445-R448 PolarHBondContact O-N 2.91Å; S446-R448 PolarHBondContact O-N 3.13Å; R448-H450 PolarHBondContact O-N 2.91Å; R448-T451 PolarHBondContact O-N 3.08Å; R448-T451 PolarHBondContact O-OG1 2.87Å
449	R	55.2	Low	53.8	Low	195 Å²	195	123.3 Å²	123.3	74%	0.736	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-12.5	171.7	-67.9	-177.2	-165.4	176.4	4.1	113	R132 S445 S446 R447	R132-R449 PolarHBondContact NH1-O 3.15Å; S445-R449 WeakPolarHBondContact O-CG 3.19Å; S445-R449 PolarHBondContact O-N 2.59Å; S445-R449 VanDerWaalsContact O-N 3.09Å; S446-R449 PolarHBondContact O-N 3.29Å; R447-R449 VanDerWaalsContact C-N 3.32Å; R447-R449 PolarHBondContact O-N 3.31Å
450	H	52	Low	52	Low	142 Å²	142	121.1 Å²	121.1	66%	0.657	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-31.9	174.7	-156.5	41.4	0	0	0	112.5	R132 S446 R447 R448	R132-H450 PolarHBondContact NH2-ND1 2.98Å; S446-H450 PolarHBondContact O-N 2.99Å; S446-H450 VanDerWaalsContact O-N 3.16Å; R447-H450 WeakPolarHBondContact O-CA 3.46Å; R447-H450 WeakPolarHBondContact O-CB 3.47Å; R447-H450 PolarHBondContact O-N 3.05Å; R448-H450 PolarHBondContact O-N 2.91Å
451	T	51.1	Low	50.2	Low	123 Å²	123	123.5 Å²	123.5	76%	0.755	65%	0.649	S	S	*	*	S	Bend	trans	-89.1	-7.3	-174	48.6	0	0	0	0	114.1	R448	R448-T451 PolarHBondContact O-N 3.08Å; R448-T451 PolarHBondContact O-OG1 2.87Å
452	G	36.5	Very low	48.7	Very low	46 Å²	46	121.9 Å²	121.9	47%	0.474	64%	0.644	S	S	.	*			trans	-118	87.9	-176.3	0	0	0	0	0	113	G454	G452-G454 VanDerWaalsContact C-N 3.33Å; G452-G454 PolarHBondContact O-N 3.23Å; G452-G454 VanDerWaalsContact O-N 3.11Å
453	T	35.8	Very low	47.2	Very low	154 Å²	154	128.1 Å²	128.1	95%	0.945	67%	0.673	S	S	*	*	S	Bend	trans	-68.4	94.3	154.6	37.5	0	0	0	0	108.1
454	G	34.8	Very low	46	Very low	58 Å²	58	130.8 Å²	130.8	60%	0.598	69%	0.689	S	S	*	*	S	Bend	trans	124.8	133.8	176.1	0	0	0	0	0	111.9	G452	G452-G454 VanDerWaalsContact C-N 3.33Å; G452-G454 PolarHBondContact O-N 3.23Å; G452-G454 VanDerWaalsContact O-N 3.11Å
455	E	34.6	Very low	45	Very low	160 Å²	160	135.3 Å²	135.3	75%	0.748	70%	0.697	S	S	*	*			trans	79.3	82.8	179.6	-52	-178.4	179.3	0	0	114.7	Y457	E455-Y457 PolarHBondContact O-N 2.87Å
456	A	39.2	Very low	44.6	Very low	101 Å²	101	136.2 Å²	136.2	84%	0.835	70%	0.696	S	S	*	*			trans	-53	102	141.5	0	0	0	0	0	107	M458	A456-M458 PolarHBondContact O-N 2.88Å
457	Y	37.2	Very low	44.6	Very low	200 Å²	200	141.4 Å²	141.4	78%	0.784	72%	0.718	S	S	*	*			trans	-58.6	91.2	163.1	-96.8	-103.1	0	0	0	106.8	E455 K459	E455-Y457 PolarHBondContact O-N 2.87Å; Y457-K459 PolarHBondContact O-N 3.27Å
458	M	36	Very low	44.8	Very low	175 Å²	175	140.4 Å²	140.4	86%	0.862	72%	0.719	S	S	*	*			trans	-58.2	110.2	152.3	-88.3	-167.3	161.2	0	0	104.7	A456 P460	A456-M458 PolarHBondContact O-N 2.88Å; M458-P460 VanDerWaalsContact O-CD 3.31Å; M458-P460 WeakPolarHBondContact O-CD 3.46Å; M458-P460 VanDerWaalsContact O-N 3.09Å
459	K	38.6	Very low	45	Very low	189 Å²	189	133.6 Å²	133.6	82%	0.822	70%	0.704	S	S	*	*			trans	-52.1	122	162	-88.9	-176.4	174.3	-178.8	0	105.2	Y457 I461	Y457-K459 PolarHBondContact O-N 3.27Å; K459-I461 PolarHBondContact O-N 2.48Å; K459-I461 VanDerWaalsContact O-N 3.15Å
460	P	38.3	Very low	45.4	Very low	94 Å²	94	126 Å²	126	61%	0.61	68%	0.679	S	S	*	*			trans	-53.8	130.8	160.8	23.5	-29	0	0	0	105.2	M458 I462	M458-P460 VanDerWaalsContact O-CD 3.31Å; M458-P460 WeakPolarHBondContact O-CD 3.46Å; M458-P460 VanDerWaalsContact O-N 3.09Å; P460-I462 HydrophobicContact CB-CG1 4.2Å; P460-I462 HydrophobicContact CG-CD1 4.1Å; P460-I462 HydrophobicContact CG-CG1 4.01Å; P460-I462 PolarHBondContact O-N 3.17Å
461	I	43	Very low	46	Very low	164 Å²	164	126.4 Å²	126.4	84%	0.841	68%	0.675	S	S	*	*			trans	-63.3	83.6	164.7	-67.2	164.9	0	0	0	104.6	K459 L463	K459-I461 PolarHBondContact O-N 2.48Å; K459-I461 VanDerWaalsContact O-N 3.15Å; I461-L463 PolarHBondContact O-N 2.88Å
462	I	41.4	Very low	46.7	Very low	125 Å²	125	125.7 Å²	125.7	64%	0.641	67%	0.665	S	S	*	*			trans	-75.8	110.3	162	-63.6	172.5	0	0	0	102.2	P460 T464	P460-I462 HydrophobicContact CB-CG1 4.2Å; P460-I462 HydrophobicContact CG-CD1 4.1Å; P460-I462 HydrophobicContact CG-CG1 4.01Å; P460-I462 PolarHBondContact O-N 3.17Å; I462-T464 PolarHBondContact O-N 3.26Å
463	L	39.3	Very low	47.7	Very low	158 Å²	158	126.5 Å²	126.5	83%	0.827	67%	0.668	S	S	*	*			trans	-49.1	96.7	162	-73.2	157.5	0	0	0	106.5	I461 Y465	I461-L463 PolarHBondContact O-N 2.88Å; L463-Y465 PolarHBondContact O-N 3.1Å; L463-Y465 VanDerWaalsContact O-N 3.07Å
464	T	43.8	Very low	48.8	Very low	127 Å²	127	127.9 Å²	127.9	78%	0.779	66%	0.656	S	S	*	*			trans	-67.4	114.6	-179	42.9	0	0	0	0	107.2	I462 D466	I462-T464 PolarHBondContact O-N 3.26Å; T464-D466 PolarHBondContact O-N 3.02Å
465	Y	43.4	Very low	49.9	Very low	191 Å²	191	133.5 Å²	133.5	75%	0.749	66%	0.663	S	S	*	*			trans	-42.6	107.4	167.1	-121.8	-109.5	0	0	0	109.4	L463 E467 V470	L463-Y465 PolarHBondContact O-N 3.1Å; L463-Y465 VanDerWaalsContact O-N 3.07Å; Y465-E467 PolarHBondContact O-N 2.79Å; Y465-V470 HydrophobicContact CD1-CG2 3.59Å; Y465-V470 HydrophobicContact CE1-CB 4.38Å; Y465-V470 HydrophobicContact CE1-CG1 4.18Å; Y465-V470 HydrophobicContact CE1-CG2 3.47Å; Y465-V470 VanDerWaalsContact CE1-CG2 3.47Å
466	D	55.2	Low	51	Low	95 Å²	95	131.2 Å²	131.2	51%	0.508	66%	0.656	S	S	.	*			trans	-74.5	105.7	168.6	-178.9	8.9	0	0	0	107.9	T464 E468 A469 V470	T464-D466 PolarHBondContact O-N 3.02Å; D466-E468 PolarHBondContact O-N 3.43Å; D466-E468 PolarHBondContact OD1-N 3.08Å; D466-A469 HydrophobicContact CB-CB 3.84Å; D466-A469 PolarHBondContact O-N 2.87Å; D466-V470 WeakPolarHBondContact O-CG2 3.35Å; D466-V470 PolarHBondContact O-N 3.19Å
467	E	62.6	Low	51.5	Low	130 Å²	130	134.7 Å²	134.7	61%	0.607	65%	0.653	S	S	*	*	H	α-helix	trans	-62.3	-27.4	-175.6	-142.1	-161	-141.7	0	0	111.6	Y465 R471	Y465-E467 PolarHBondContact O-N 2.79Å; E467-R471 WeakPolarHBondContact O-CB 3.34Å; E467-R471 PolarHBondContact O-N 3.29Å; E467-R471 IonicContact OE2-CZ 3.82Å; E467-R471 IonicContact OE2-NH2 3.72Å; E467-R471 PolarHBondContact OE2-NH2 2.9Å
468	E	65	Low	52.2	Low	131 Å²	131	134 Å²	134	61%	0.612	65%	0.654	S	S	*	*	H	α-helix	trans	-74.9	-44.3	175	-69.3	-161.5	146.7	0	0	111.8	D466 V470 R471 I472	D466-E468 PolarHBondContact O-N 3.43Å; D466-E468 PolarHBondContact OD1-N 3.08Å; E468-V470 VanDerWaalsContact C-N 3.27Å; E468-V470 PolarHBondContact O-N 3.21Å; E468-R471 WeakPolarHBondContact O-CB 3.4Å; E468-R471 PolarHBondContact O-N 3.02Å; E468-R471 VanDerWaalsContact O-N 3.08Å; E468-I472 WeakPolarHBondContact O-CG1 3.49Å; E468-I472 PolarHBondContact O-N 3.07Å
469	A	63	Low	52.9	Low	48 Å²	48	135.6 Å²	135.6	40%	0.397	65%	0.652	S	S	.	*	H	α-helix	trans	-58.4	-39.8	173.8	0	0	0	0	0	111.9	D466 I472 A473	D466-A469 HydrophobicContact CB-CB 3.84Å; D466-A469 PolarHBondContact O-N 2.87Å; A469-I472 PolarHBondContact O-N 3.06Å; A469-A473 WeakPolarHBondContact O-CB 3.36Å; A469-A473 PolarHBondContact O-N 3.26Å
470	V	62.3	Low	52.9	Low	35 Å²	35	131.7 Å²	131.7	21%	0.212	64%	0.639	C	S	.	*	H	α-helix	trans	-70.3	-34.3	175.9	175	0	0	0	0	111.9	Y465 D466 E468 A473 R474	Y465-V470 HydrophobicContact CD1-CG2 3.59Å; Y465-V470 HydrophobicContact CE1-CB 4.38Å; Y465-V470 HydrophobicContact CE1-CG1 4.18Å; Y465-V470 HydrophobicContact CE1-CG2 3.47Å; Y465-V470 VanDerWaalsContact CE1-CG2 3.47Å; D466-V470 WeakPolarHBondContact O-CG2 3.35Å; D466-V470 PolarHBondContact O-N 3.19Å; E468-V470 VanDerWaalsContact C-N 3.27Å; E468-V470 PolarHBondContact O-N 3.21Å; V470-A473 PolarHBondContact O-N 2.75Å; V470-R474 HydrophobicContact CG1-CG 4.42Å; V470-R474 WeakPolarHBondContact O-CB 3.48Å; V470-R474 VanDerWaalsContact O-CG 3.31Å; V470-R474 WeakPolarHBondContact O-CG 3.29Å; V470-R474 PolarHBondContact O-N 3Å
471	R	64.7	Low	53.1	Low	151 Å²	151	134.7 Å²	134.7	57%	0.57	65%	0.65	S	S	*	*	H	α-helix	trans	-66.4	-41.2	174	-122.9	-178.8	-82.4	176.4	-7.2	111.5	E467 E468 R474 K475	E467-R471 WeakPolarHBondContact O-CB 3.34Å; E467-R471 PolarHBondContact O-N 3.29Å; E467-R471 IonicContact OE2-CZ 3.82Å; E467-R471 IonicContact OE2-NH2 3.72Å; E467-R471 PolarHBondContact OE2-NH2 2.9Å; E468-R471 WeakPolarHBondContact O-CB 3.4Å; E468-R471 PolarHBondContact O-N 3.02Å; E468-R471 VanDerWaalsContact O-N 3.08Å; R471-R474 PolarHBondContact O-N 3.24Å; R471-K475 PolarHBondContact O-N 3Å
472	I	67.3	Low	53.4	Low	108 Å²	108	134.9 Å²	134.9	55%	0.554	65%	0.647	S	S	*	*	H	α-helix	trans	-64.2	-45.7	174.9	-65.6	165.8	0	0	0	109.9	E468 A469 R474 K475 N476	E468-I472 WeakPolarHBondContact O-CG1 3.49Å; E468-I472 PolarHBondContact O-N 3.07Å; A469-I472 PolarHBondContact O-N 3.06Å; I472-R474 PolarHBondContact O-N 3.34Å; I472-K475 PolarHBondContact O-N 3.32Å; I472-N476 PolarHBondContact O-N 3.1Å; I472-N476 VanDerWaalsContact O-N 3.09Å
473	A	57.4	Low	53.6	Low	63 Å²	63	130.9 Å²	130.9	52%	0.521	63%	0.629	S	S	.	*	H	α-helix	trans	-61.8	-40	175.3	0	0	0	0	0	112.8	A469 V470 N476 K477	A469-A473 WeakPolarHBondContact O-CB 3.36Å; A469-A473 PolarHBondContact O-N 3.26Å; V470-A473 PolarHBondContact O-N 2.75Å; A473-N476 PolarHBondContact O-N 2.83Å; A473-K477 PolarHBondContact O-N 3.35Å
474	R	58	Low	54	Low	183 Å²	183	131.5 Å²	131.5	69%	0.691	63%	0.628	S	S	*	*	H	α-helix	trans	-68.1	-33.4	175.7	-78.3	179.2	-179.8	-179.7	1.6	112.9	V470 R471 I472 K477	V470-R474 HydrophobicContact CG1-CG 4.42Å; V470-R474 WeakPolarHBondContact O-CB 3.48Å; V470-R474 VanDerWaalsContact O-CG 3.31Å; V470-R474 WeakPolarHBondContact O-CG 3.29Å; V470-R474 PolarHBondContact O-N 3Å; R471-R474 PolarHBondContact O-N 3.24Å; I472-R474 PolarHBondContact O-N 3.34Å; R474-K477 WeakPolarHBondContact O-CB 3.29Å; R474-K477 PolarHBondContact O-N 2.9Å
475	K	58.7	Low	54.6	Low	175 Å²	175	131.7 Å²	131.7	76%	0.761	62%	0.622	S	S	*	*	H	α-helix	trans	-67.5	-36.3	173.7	-111.1	-178.8	176.7	180	0	111.9	R471 I472 K477	R471-K475 PolarHBondContact O-N 3Å; I472-K475 PolarHBondContact O-N 3.32Å; K475-K477 VanDerWaalsContact C-N 3.27Å; K475-K477 PolarHBondContact O-N 2.88Å
476	N	56.2	Low	55.3	Low	112 Å²	112	126.5 Å²	126.5	60%	0.599	61%	0.608	S	S	*	*	H	α-helix	trans	-76.5	-12.5	178.3	-69.1	-12.4	0	0	0	113.5	I472 A473 K478 Y479	I472-N476 PolarHBondContact O-N 3.1Å; I472-N476 VanDerWaalsContact O-N 3.09Å; A473-N476 PolarHBondContact O-N 2.83Å; N476-K478 PolarHBondContact O-N 3.42Å; N476-K478 VanDerWaalsContact O-N 3.08Å; N476-Y479 PolarHBondContact O-N 3.23Å
477	K	50.4	Low	55.7	Low	175 Å²	175	124.7 Å²	124.7	76%	0.761	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-5.8	-178.3	-154.6	169.7	-176.2	173.5	0	115.2	A473 R474 K475	A473-K477 PolarHBondContact O-N 3.35Å; R474-K477 WeakPolarHBondContact O-CB 3.29Å; R474-K477 PolarHBondContact O-N 2.9Å; K475-K477 VanDerWaalsContact C-N 3.27Å; K475-K477 PolarHBondContact O-N 2.88Å
478	K	52.7	Low	55.8	Low	185 Å²	185	125.5 Å²	125.5	80%	0.804	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-4.5	179.3	-92.9	-174.2	175.8	-177.2	0	115.5	N476	N476-K478 PolarHBondContact O-N 3.42Å; N476-K478 VanDerWaalsContact O-N 3.08Å
479	Y	50	Low	56	Low	209 Å²	209	124.8 Å²	124.8	82%	0.82	61%	0.606	S	S	*	*	S	Bend	trans	-128.1	12.3	-171.7	-69.3	-72.3	0	0	0	115.9	N476	N476-Y479 PolarHBondContact O-N 3.23Å
480	L	37.9	Very low	56.4	Low	106 Å²	106	125.1 Å²	125.1	56%	0.555	61%	0.608	S	S	*	*			trans	-135.7	80.1	-174.3	-139.7	74.9	0	0	0	112.5
481	N	43.7	Very low	56.8	Low	157 Å²	157	129 Å²	129	84%	0.84	63%	0.626	S	S	*	*	S	Bend	trans	-95.2	126.8	150.9	-78.7	-17.3	0	0	0	105.6
482	Q	48.2	Very low	57.2	Low	169 Å²	169	124.5 Å²	124.5	79%	0.79	62%	0.621	S	S	*	*	S	Bend	trans	60	94.7	-158.5	-79.8	98.4	2.7	0	0	110
483	T	46.1	Very low	57.6	Low	40 Å²	40	121.7 Å²	121.7	25%	0.245	61%	0.613	C	S	.	*				-176.8	89.2	74.3	37.5	0	0	0	0	108.8	I485 D486 S487	T483-I485 PolarHBondContact O-N 2.94Å; T483-I485 VanDerWaalsContact O-N 3.15Å; T483-D486 WeakPolarHBondContact CB-OD2 3.46Å; T483-D486 HydrophobicContact CG2-CB 4.43Å; T483-D486 WeakPolarHBondContact CG2-OD2 3.44Å; T483-D486 PolarHBondContact O-N 3.33Å; T483-D486 WeakPolarHBondContact OG1-CB 3.44Å; T483-D486 PolarHBondContact OG1-OD2 3.25Å; T483-S487 PolarHBondContact O-N 2.88Å
484	E	48.8	Very low	58.6	Low	172 Å²	172	122.2 Å²	122.2	80%	0.804	61%	0.61	S	S	*	*	H	α-helix	trans	-56.9	-29.3	171.2	-75.5	178.1	157.2	0	0	110.9	S487 E488	E484-S487 PolarHBondContact O-N 3.04Å; E484-S487 PolarHBondContact O-OG 3.43Å; E484-E488 PolarHBondContact O-N 3.41Å
485	I	56.1	Low	59.5	Low	130 Å²	130	117.3 Å²	117.3	67%	0.667	60%	0.598	S	S	*	*	H	α-helix	trans	-61.9	-38.7	169.9	-59.1	173.8	0	0	0	112.1	T483 L489	T483-I485 PolarHBondContact O-N 2.94Å; T483-I485 VanDerWaalsContact O-N 3.15Å; I485-L489 WeakPolarHBondContact O-CB 3.48Å; I485-L489 PolarHBondContact O-N 2.79Å
486	D	57.5	Low	60.4	Low	83 Å²	83	111.5 Å²	111.5	44%	0.444	58%	0.582	S	S	.	*	H	α-helix	trans	-76.9	-26.6	-179.5	-62.6	-12.4	0	0	0	112	T483 A490	T483-D486 WeakPolarHBondContact CB-OD2 3.46Å; T483-D486 HydrophobicContact CG2-CB 4.43Å; T483-D486 WeakPolarHBondContact CG2-OD2 3.44Å; T483-D486 PolarHBondContact O-N 3.33Å; T483-D486 WeakPolarHBondContact OG1-CB 3.44Å; T483-D486 PolarHBondContact OG1-OD2 3.25Å; D486-A490 WeakPolarHBondContact O-CB 3.37Å; D486-A490 PolarHBondContact O-N 3.09Å
487	S	62.4	Low	61.4	Low	57 Å²	57	111 Å²	111	40%	0.399	58%	0.578	S	S	.	*	H	α-helix	trans	-71.8	-40.2	175.7	75.5	0	0	0	0	111.7	T483 E484 A490 M491	T483-S487 PolarHBondContact O-N 2.88Å; E484-S487 PolarHBondContact O-N 3.04Å; E484-S487 PolarHBondContact O-OG 3.43Å; S487-A490 PolarHBondContact O-N 3.28Å; S487-M491 WeakPolarHBondContact O-CB 3.43Å; S487-M491 WeakPolarHBondContact O-CG 3.24Å; S487-M491 PolarHBondContact O-N 3.29Å
488	E	65.2	Low	62.8	Low	147 Å²	147	107 Å²	107	69%	0.687	56%	0.564	S	S	*	*	H	α-helix	trans	-69.2	-39	171.2	-72.2	-168.7	163.8	0	0	111.2	E484 A490 M491 A492	E484-E488 PolarHBondContact O-N 3.41Å; E488-A490 VanDerWaalsContact C-N 3.31Å; E488-A490 PolarHBondContact O-N 2.87Å; E488-M491 PolarHBondContact O-N 3.45Å; E488-A492 WeakPolarHBondContact O-CB 3.32Å; E488-A492 PolarHBondContact O-N 3.07Å
489	L	69.3	Low	64.2	Low	116 Å²	116	104.2 Å²	104.2	61%	0.607	56%	0.555	S	S	*	*	H	α-helix	trans	-63.6	-37.9	174.3	-156.7	92.1	0	0	0	111.4	I485 A493	I485-L489 WeakPolarHBondContact O-CB 3.48Å; I485-L489 PolarHBondContact O-N 2.79Å; L489-A493 WeakPolarHBondContact O-CB 3.25Å; L489-A493 PolarHBondContact O-N 3.13Å
490	A	70.9	Confident	65.7	Low	54 Å²	54	101.1 Å²	101.1	45%	0.446	55%	0.545	S	S	.	.	H	α-helix	trans	-69.3	-43.4	176.4	0	0	0	0	0	111.5	D486 S487 E488 A493 V494	D486-A490 WeakPolarHBondContact O-CB 3.37Å; D486-A490 PolarHBondContact O-N 3.09Å; S487-A490 PolarHBondContact O-N 3.28Å; E488-A490 VanDerWaalsContact C-N 3.31Å; E488-A490 PolarHBondContact O-N 2.87Å; A490-A493 PolarHBondContact O-N 2.83Å; A490-V494 VanDerWaalsContact O-CG2 3.32Å; A490-V494 WeakPolarHBondContact O-CG2 3.29Å; A490-V494 PolarHBondContact O-N 3.16Å
491	M	71.1	Confident	67.9	Low	118 Å²	118	99.9 Å²	99.9	58%	0.581	54%	0.539	S	S	*	.	H	α-helix	trans	-66.3	-39.6	174.6	-75.9	-66.4	-68.1	0	0	112	S487 E488 A493 V494 N495	S487-M491 WeakPolarHBondContact O-CB 3.43Å; S487-M491 WeakPolarHBondContact O-CG 3.24Å; S487-M491 PolarHBondContact O-N 3.29Å; E488-M491 PolarHBondContact O-N 3.45Å; M491-A493 VanDerWaalsContact C-N 3.33Å; M491-V494 PolarHBondContact O-N 3.4Å; M491-N495 WeakPolarHBondContact O-CB 3.24Å; M491-N495 VanDerWaalsContact O-CG 3.27Å; M491-N495 PolarHBondContact O-N 2.89Å; M491-N495 PolarHBondContact O-ND2 2.82Å
492	A	74.3	Confident	69.7	Low	56 Å²	56	98.3 Å²	98.3	46%	0.463	53%	0.527	S	S	.	.	H	α-helix	trans	-64.5	-38.2	173	0	0	0	0	0	111.4	E488 N495 A496	E488-A492 WeakPolarHBondContact O-CB 3.32Å; E488-A492 PolarHBondContact O-N 3.07Å; A492-N495 PolarHBondContact O-N 3Å; A492-A496 WeakPolarHBondContact O-CB 3.33Å; A492-A496 PolarHBondContact O-N 2.91Å
493	A	75.2	Confident	71.4	Confident	48 Å²	48	96.2 Å²	96.2	40%	0.397	52%	0.517	S	S	.	.	H	α-helix	trans	-65.7	-42.2	174.5	0	0	0	0	0	111.9	L489 A490 M491 A496 I497	L489-A493 WeakPolarHBondContact O-CB 3.25Å; L489-A493 PolarHBondContact O-N 3.13Å; A490-A493 PolarHBondContact O-N 2.83Å; M491-A493 VanDerWaalsContact C-N 3.33Å; A493-A496 PolarHBondContact O-N 2.64Å; A493-I497 VanDerWaalsContact O-CG1 3.26Å; A493-I497 WeakPolarHBondContact O-CG1 3.33Å; A493-I497 PolarHBondContact O-N 3.33Å
494	V	77.1	Confident	73.2	Confident	75 Å²	75	97.8 Å²	97.8	46%	0.455	53%	0.527	S	S	.	.	H	α-helix	trans	-64.8	-44.6	175.3	172.2	0	0	0	0	111.1	A490 M491 A496 I497 L498	A490-V494 VanDerWaalsContact O-CG2 3.32Å; A490-V494 WeakPolarHBondContact O-CG2 3.29Å; A490-V494 PolarHBondContact O-N 3.16Å; M491-V494 PolarHBondContact O-N 3.4Å; V494-A496 VanDerWaalsContact C-N 3.31Å; V494-A496 PolarHBondContact O-N 2.85Å; V494-I497 PolarHBondContact O-N 3.19Å; V494-L498 HydrophobicContact CG1-CD1 4.2Å; V494-L498 WeakPolarHBondContact O-CG 3.41Å; V494-L498 PolarHBondContact O-N 2.87Å
495	N	78.3	Confident	74.8	Confident	80 Å²	80	93.9 Å²	93.9	43%	0.428	51%	0.51	S	S	.	.	H	α-helix	trans	-65	-35.7	176.2	-72.3	-19.2	0	0	0	112.1	M491 A492 L498 Q499	M491-N495 WeakPolarHBondContact O-CB 3.24Å; M491-N495 VanDerWaalsContact O-CG 3.27Å; M491-N495 PolarHBondContact O-N 2.89Å; M491-N495 PolarHBondContact O-ND2 2.82Å; A492-N495 PolarHBondContact O-N 3Å; N495-L498 PolarHBondContact O-N 2.87Å; N495-Q499 WeakPolarHBondContact O-CB 3.19Å; N495-Q499 VanDerWaalsContact O-CG 3.31Å; N495-Q499 WeakPolarHBondContact O-CG 3.28Å; N495-Q499 PolarHBondContact O-N 2.6Å
496	A	77	Confident	76	Confident	52 Å²	52	93.3 Å²	93.3	43%	0.43	51%	0.505	S	S	.	.	H	α-helix	trans	-67.2	-37.9	174.4	0	0	0	0	0	111.9	A492 A493 V494 K500	A492-A496 WeakPolarHBondContact O-CB 3.33Å; A492-A496 PolarHBondContact O-N 2.91Å; A493-A496 PolarHBondContact O-N 2.64Å; V494-A496 VanDerWaalsContact C-N 3.31Å; V494-A496 PolarHBondContact O-N 2.85Å; A496-K500 VanDerWaalsContact O-CB 3.26Å; A496-K500 WeakPolarHBondContact O-CB 2.85Å; A496-K500 PolarHBondContact O-N 2.95Å
497	I	78	Confident	77.4	Confident	101 Å²	101	91.4 Å²	91.4	52%	0.518	50%	0.501	S	S	.	.	H	α-helix	trans	-63.4	-48.1	172.7	-67.5	162.4	0	0	0	109.9	A493 V494 Q499 K500 D501	A493-I497 VanDerWaalsContact O-CG1 3.26Å; A493-I497 WeakPolarHBondContact O-CG1 3.33Å; A493-I497 PolarHBondContact O-N 3.33Å; V494-I497 PolarHBondContact O-N 3.19Å; I497-Q499 PolarHBondContact O-N 2.81Å; I497-K500 WeakPolarHBondContact O-CB 3.4Å; I497-K500 PolarHBondContact O-N 3.02Å; I497-D501 PolarHBondContact O-N 2.92Å
498	L	79.5	Confident	78.5	Confident	91 Å²	91	91.3 Å²	91.3	48%	0.476	50%	0.503	S	S	.	.	H	α-helix	trans	-62.5	-39.8	178.3	-73.3	169.7	0	0	0	112.9	V494 N495 D501 H502	V494-L498 HydrophobicContact CG1-CD1 4.2Å; V494-L498 WeakPolarHBondContact O-CG 3.41Å; V494-L498 PolarHBondContact O-N 2.87Å; N495-L498 PolarHBondContact O-N 2.87Å; L498-D501 PolarHBondContact O-N 2.69Å; L498-H502 WeakPolarHBondContact O-CB 3.43Å; L498-H502 PolarHBondContact O-N 3.35Å
499	Q	81.3	Confident	79.3	Confident	128 Å²	128	90.9 Å²	90.9	60%	0.598	50%	0.499	S	S	*	.	H	α-helix	trans	-65.6	-40.5	174.5	-78.9	179.9	-7.6	0	0	111.6	N495 I497 H502 Q503	N495-Q499 WeakPolarHBondContact O-CB 3.19Å; N495-Q499 VanDerWaalsContact O-CG 3.31Å; N495-Q499 WeakPolarHBondContact O-CG 3.28Å; N495-Q499 PolarHBondContact O-N 2.6Å; I497-Q499 PolarHBondContact O-N 2.81Å; Q499-H502 PolarHBondContact O-N 3.01Å; Q499-Q503 WeakPolarHBondContact O-CB 3.49Å; Q499-Q503 VanDerWaalsContact O-CG 3.29Å; Q499-Q503 WeakPolarHBondContact O-CG 3.27Å; Q499-Q503 PolarHBondContact O-N 2.98Å
500	K	82.6	Confident	79.8	Confident	143 Å²	143	91 Å²	91	62%	0.622	50%	0.497	S	S	*	.	H	α-helix	trans	-65.3	-40.3	176.2	-163.3	176.5	-176.8	178.7	0	111.1	A496 I497 Q503 T504	A496-K500 VanDerWaalsContact O-CB 3.26Å; A496-K500 WeakPolarHBondContact O-CB 2.85Å; A496-K500 PolarHBondContact O-N 2.95Å; I497-K500 WeakPolarHBondContact O-CB 3.4Å; I497-K500 PolarHBondContact O-N 3.02Å; K500-Q503 PolarHBondContact O-N 3.02Å; K500-T504 WeakPolarHBondContact O-CG2 3.28Å; K500-T504 PolarHBondContact O-N 2.94Å; K500-T504 PolarHBondContact O-OG1 2.96Å
501	D	82.6	Confident	80.3	Confident	80 Å²	80	92.2 Å²	92.2	43%	0.428	50%	0.495	S	S	.	.	H	α-helix	trans	-66.4	-40.3	174.4	-75.3	-11.3	0	0	0	112.1	I497 L498 Q503 T504 I505	I497-D501 PolarHBondContact O-N 2.92Å; L498-D501 PolarHBondContact O-N 2.69Å; D501-Q503 VanDerWaalsContact C-N 3.34Å; D501-Q503 PolarHBondContact O-N 3Å; D501-T504 VanDerWaalsContact CA-OG1 3.3Å; D501-T504 WeakPolarHBondContact CA-OG1 3.34Å; D501-T504 PolarHBondContact O-N 2.79Å; D501-T504 PolarHBondContact O-OG1 2.82Å; D501-I505 WeakPolarHBondContact O-CB 3.46Å; D501-I505 WeakPolarHBondContact O-CD1 3.5Å; D501-I505 WeakPolarHBondContact O-CG1 3.45Å; D501-I505 PolarHBondContact O-N 2.76Å
502	H	81.7	Confident	80.7	Confident	125 Å²	125	92.2 Å²	92.2	58%	0.579	49%	0.494	S	S	*	.	H	α-helix	trans	-62.4	-41.8	172.8	-98.9	-107.2	0	0	0	112.1	L498 Q499 I505 Q506	L498-H502 WeakPolarHBondContact O-CB 3.43Å; L498-H502 PolarHBondContact O-N 3.35Å; Q499-H502 PolarHBondContact O-N 3.01Å; H502-I505 PolarHBondContact O-N 3.21Å; H502-Q506 WeakPolarHBondContact O-CB 3.34Å; H502-Q506 WeakPolarHBondContact O-CG 3.37Å; H502-Q506 PolarHBondContact O-N 2.95Å
503	Q	84	Confident	80.7	Confident	124 Å²	124	92.2 Å²	92.2	58%	0.579	49%	0.494	S	S	*	.	H	α-helix	trans	-67.2	-38.9	176	-74.4	175.2	4.9	0	0	111.9	Q499 K500 D501 Q506 A507	Q499-Q503 WeakPolarHBondContact O-CB 3.49Å; Q499-Q503 VanDerWaalsContact O-CG 3.29Å; Q499-Q503 WeakPolarHBondContact O-CG 3.27Å; Q499-Q503 PolarHBondContact O-N 2.98Å; K500-Q503 PolarHBondContact O-N 3.02Å; D501-Q503 VanDerWaalsContact C-N 3.34Å; D501-Q503 PolarHBondContact O-N 3Å; Q503-Q506 PolarHBondContact O-N 2.83Å; Q503-A507 VanDerWaalsContact O-CB 3.25Å; Q503-A507 WeakPolarHBondContact O-CB 3.26Å; Q503-A507 PolarHBondContact O-N 3.49Å
504	T	83.5	Confident	80.4	Confident	74 Å²	74	95.7 Å²	95.7	45%	0.454	50%	0.5	S	S	.	.	H	α-helix	trans	-69.7	-37.2	176.3	59.2	0	0	0	0	111.4	K500 D501 A507 A508	K500-T504 WeakPolarHBondContact O-CG2 3.28Å; K500-T504 PolarHBondContact O-N 2.94Å; K500-T504 PolarHBondContact O-OG1 2.96Å; D501-T504 VanDerWaalsContact CA-OG1 3.3Å; D501-T504 WeakPolarHBondContact CA-OG1 3.34Å; D501-T504 PolarHBondContact O-N 2.79Å; D501-T504 PolarHBondContact O-OG1 2.82Å; T504-A507 PolarHBondContact O-N 2.84Å; T504-A508 WeakPolarHBondContact O-CB 3.3Å; T504-A508 PolarHBondContact O-N 2.86Å
505	I	83.4	Confident	79.9	Confident	90 Å²	90	99.6 Å²	99.6	46%	0.462	51%	0.513	S	S	.	.	H	α-helix	trans	-66.4	-41.8	173.2	-68.4	164.3	0	0	0	110.8	D501 H502 A508 K509	D501-I505 WeakPolarHBondContact O-CB 3.46Å; D501-I505 WeakPolarHBondContact O-CD1 3.5Å; D501-I505 WeakPolarHBondContact O-CG1 3.45Å; D501-I505 PolarHBondContact O-N 2.76Å; H502-I505 PolarHBondContact O-N 3.21Å; I505-A508 PolarHBondContact O-N 2.95Å; I505-K509 HydrophobicContact CG2-CD 4.4Å; I505-K509 WeakPolarHBondContact O-CB 3.5Å; I505-K509 WeakPolarHBondContact O-CG 3.35Å; I505-K509 PolarHBondContact O-N 3.03Å
506	Q	81.7	Confident	79.2	Confident	118 Å²	118	106.2 Å²	106.2	55%	0.551	53%	0.532	S	S	*	.	H	α-helix	trans	-64.8	-45.5	174.9	-79.5	-179.2	-17.6	0	0	111.5	H502 Q503 A508 K509 E510	H502-Q506 WeakPolarHBondContact O-CB 3.34Å; H502-Q506 WeakPolarHBondContact O-CG 3.37Å; H502-Q506 PolarHBondContact O-N 2.95Å; Q503-Q506 PolarHBondContact O-N 2.83Å; Q506-A508 VanDerWaalsContact C-N 3.34Å; Q506-A508 PolarHBondContact O-N 3.04Å; Q506-K509 PolarHBondContact O-N 2.97Å; Q506-E510 WeakPolarHBondContact O-CG 3.31Å; Q506-E510 PolarHBondContact O-N 2.84Å
507	A	86	Confident	78	Confident	43 Å²	43	107.7 Å²	107.7	36%	0.355	54%	0.536	S	S	.	.	H	α-helix	trans	-62.2	-40.4	175.1	0	0	0	0	0	111.9	Q503 T504 E510 D511	Q503-A507 VanDerWaalsContact O-CB 3.25Å; Q503-A507 WeakPolarHBondContact O-CB 3.26Å; Q503-A507 PolarHBondContact O-N 3.49Å; T504-A507 PolarHBondContact O-N 2.84Å; A507-E510 PolarHBondContact O-N 3.42Å; A507-D511 WeakPolarHBondContact O-CB 3.39Å; A507-D511 PolarHBondContact O-N 3.25Å
508	A	85.5	Confident	76.6	Confident	55 Å²	55	108.1 Å²	108.1	46%	0.455	55%	0.545	S	S	.	.	H	α-helix	trans	-65.8	-38.5	174.9	0	0	0	0	0	112.1	T504 I505 Q506 D511 E512	T504-A508 WeakPolarHBondContact O-CB 3.3Å; T504-A508 PolarHBondContact O-N 2.86Å; I505-A508 PolarHBondContact O-N 2.95Å; Q506-A508 VanDerWaalsContact C-N 3.34Å; Q506-A508 PolarHBondContact O-N 3.04Å; A508-D511 PolarHBondContact O-N 3.1Å; A508-E512 WeakPolarHBondContact O-CB 3.49Å; A508-E512 PolarHBondContact O-N 2.8Å
509	K	81.5	Confident	75	Confident	137 Å²	137	111.4 Å²	111.4	60%	0.596	56%	0.563	S	S	*	*	H	α-helix	trans	-66.4	-38.6	172.5	-78.2	-179.6	178.1	-177.5	0	112.1	I505 Q506 A513	I505-K509 HydrophobicContact CG2-CD 4.4Å; I505-K509 WeakPolarHBondContact O-CB 3.5Å; I505-K509 WeakPolarHBondContact O-CG 3.35Å; I505-K509 PolarHBondContact O-N 3.03Å; Q506-K509 PolarHBondContact O-N 2.97Å; K509-A513 VanDerWaalsContact O-CB 3.27Å; K509-A513 WeakPolarHBondContact O-CB 3.26Å; K509-A513 PolarHBondContact O-N 3.42Å
510	E	81.4	Confident	73.2	Confident	120 Å²	120	116.4 Å²	116.4	56%	0.561	58%	0.577	S	S	*	*	H	α-helix	trans	-66.8	-39.5	173.7	-76.9	-176.5	179.1	0	0	111.7	Q506 A507 A513 K514	Q506-E510 WeakPolarHBondContact O-CG 3.31Å; Q506-E510 PolarHBondContact O-N 2.84Å; A507-E510 PolarHBondContact O-N 3.42Å; E510-A513 CarbonylContact O-C 3.6Å; E510-A513 WeakPolarHBondContact O-CB 3.09Å; E510-A513 PolarHBondContact O-N 2.49Å; E510-K514 WeakPolarHBondContact O-CB 3.24Å; E510-K514 VanDerWaalsContact O-CG 3.27Å; E510-K514 WeakPolarHBondContact O-CG 3.48Å; E510-K514 PolarHBondContact O-N 2.88Å
511	D	80.2	Confident	71.1	Confident	78 Å²	78	118.5 Å²	118.5	42%	0.417	59%	0.589	S	S	.	*	H	α-helix	trans	-72.5	-36.7	176.3	-76.8	-10	0	0	0	111.9	A507 A508 A513 K514 Q515	A507-D511 WeakPolarHBondContact O-CB 3.39Å; A507-D511 PolarHBondContact O-N 3.25Å; A508-D511 PolarHBondContact O-N 3.1Å; D511-A513 VanDerWaalsContact C-N 3.31Å; D511-K514 CarbonylContact O-C 3.6Å; D511-K514 PolarHBondContact O-N 2.91Å; D511-K514 IonicContact OD1-NZ 3.94Å; D511-K514 PolarHBondContact OD1-NZ 3.41Å; D511-Q515 WeakPolarHBondContact O-CB 3.32Å; D511-Q515 VanDerWaalsContact O-CG 3.3Å; D511-Q515 WeakPolarHBondContact O-CG 3.49Å; D511-Q515 PolarHBondContact O-N 3.17Å
512	E	79.3	Confident	69.1	Low	119 Å²	119	123.3 Å²	123.3	56%	0.556	61%	0.609	S	S	*	*	H	α-helix	trans	-61.9	-39.5	167.4	-84.4	-168.6	159.7	0	0	111.4	A508 Q515 R516	A508-E512 WeakPolarHBondContact O-CB 3.49Å; A508-E512 PolarHBondContact O-N 2.8Å; E512-Q515 PolarHBondContact O-N 2.89Å; E512-R516 WeakPolarHBondContact O-CG 3.18Å; E512-R516 PolarHBondContact O-N 3.45Å
513	A	74.9	Confident	67	Low	55 Å²	55	122.2 Å²	122.2	46%	0.455	62%	0.615	S	S	.	*	H	α-helix	trans	-65.5	-41.5	174.6	0	0	0	0	0	111.2	K509 E510 D511 Q515 R516 V517	K509-A513 VanDerWaalsContact O-CB 3.27Å; K509-A513 WeakPolarHBondContact O-CB 3.26Å; K509-A513 PolarHBondContact O-N 3.42Å; E510-A513 CarbonylContact O-C 3.6Å; E510-A513 WeakPolarHBondContact O-CB 3.09Å; E510-A513 PolarHBondContact O-N 2.49Å; D511-A513 VanDerWaalsContact C-N 3.31Å; A513-Q515 VanDerWaalsContact C-N 3.35Å; A513-R516 PolarHBondContact O-N 2.89Å; A513-V517 WeakPolarHBondContact O-CG2 3.23Å; A513-V517 PolarHBondContact O-N 3.08Å
514	K	68.5	Low	64.8	Low	121 Å²	121	124.1 Å²	124.1	53%	0.526	64%	0.635	S	S	.	*	H	α-helix	trans	-65.6	-34.2	173.4	-71.4	170.8	-156.6	153.8	0	112.4	E510 D511 V517	E510-K514 WeakPolarHBondContact O-CB 3.24Å; E510-K514 VanDerWaalsContact O-CG 3.27Å; E510-K514 WeakPolarHBondContact O-CG 3.48Å; E510-K514 PolarHBondContact O-N 2.88Å; D511-K514 CarbonylContact O-C 3.6Å; D511-K514 PolarHBondContact O-N 2.91Å; D511-K514 IonicContact OD1-NZ 3.94Å; D511-K514 PolarHBondContact OD1-NZ 3.41Å; K514-V517 PolarHBondContact O-N 3.31Å
515	Q	66.7	Low	62.9	Low	158 Å²	158	122.6 Å²	122.6	74%	0.738	63%	0.634	S	S	*	*	H	α-helix	trans	-74.5	-30.7	175.7	-75.4	-179.8	11.4	0	0	113.1	D511 E512 A513 V517	D511-Q515 WeakPolarHBondContact O-CB 3.32Å; D511-Q515 VanDerWaalsContact O-CG 3.3Å; D511-Q515 WeakPolarHBondContact O-CG 3.49Å; D511-Q515 PolarHBondContact O-N 3.17Å; E512-Q515 PolarHBondContact O-N 2.89Å; A513-Q515 VanDerWaalsContact C-N 3.35Å; Q515-V517 VanDerWaalsContact C-N 3.27Å
516	R	64.3	Low	61.2	Low	218 Å²	218	124.9 Å²	124.9	82%	0.823	65%	0.647	S	S	*	*	H	α-helix	trans	-69.5	-27.3	170.9	-78	-172.6	-169.2	-159.9	4.4	112.4	E512 A513	E512-R516 WeakPolarHBondContact O-CG 3.18Å; E512-R516 PolarHBondContact O-N 3.45Å; A513-R516 PolarHBondContact O-N 2.89Å
517	V	52.4	Low	59.3	Low	83 Å²	83	131.2 Å²	131.2	50%	0.503	67%	0.666	S	S	.	*	S	Bend	trans	-76.6	125.4	168.6	-177.8	0	0	0	0	107.4	A513 K514 Q515 N519	A513-V517 WeakPolarHBondContact O-CG2 3.23Å; A513-V517 PolarHBondContact O-N 3.08Å; K514-V517 PolarHBondContact O-N 3.31Å; Q515-V517 VanDerWaalsContact C-N 3.27Å; V517-N519 PolarHBondContact O-N 3.33Å; V517-N519 VanDerWaalsContact O-N 3.15Å
518	P	46.7	Very low	57.7	Low	111 Å²	111	132.2 Å²	132.2	72%	0.721	67%	0.667	S	S	*	*			trans	-54.8	126.6	172.3	-18.9	29.7	0	0	0	108.7	R520	P518-R520 PolarHBondContact O-N 3.48Å
519	N	47.4	Very low	56.5	Low	159 Å²	159	132 Å²	132	85%	0.85	67%	0.671	S	S	*	*			trans	-42	102.1	179.4	-100.8	-8.9	0	0	0	110.4	V517 E521	V517-N519 PolarHBondContact O-N 3.33Å; V517-N519 VanDerWaalsContact O-N 3.15Å; N519-E521 VanDerWaalsContact C-N 3.27Å; N519-E521 PolarHBondContact O-N 3.38Å
520	R	42.4	Very low	56.1	Low	234 Å²	234	130.9 Å²	130.9	88%	0.883	68%	0.68	S	S	*	*			trans	-100.8	44.5	-177.5	-154.3	176.3	179.1	165.2	-0.7	110.4	P518	P518-R520 PolarHBondContact O-N 3.48Å
521	E	38.7	Very low	55.5	Low	186 Å²	186	131.3 Å²	131.3	87%	0.869	69%	0.686	S	S	*	*			trans	-127.5	54.2	169	-70.5	-168.8	169.3	0	0	109.6	N519	N519-E521 VanDerWaalsContact C-N 3.27Å; N519-E521 PolarHBondContact O-N 3.38Å
522	E	40.7	Very low	54.8	Low	182 Å²	182	133.1 Å²	133.1	85%	0.85	69%	0.692	S	S	*	*	S	Bend	trans	-120.6	114.5	146.8	-78.6	-172.1	165.7	0	0	106.2
523	S	37.8	Very low	54.6	Low	101 Å²	101	131.5 Å²	131.5	71%	0.706	68%	0.684	S	S	*	*			trans	18.5	112.9	152.1	176.4	0	0	0	0	115.1	G525	S523-G525 PolarHBondContact O-N 2.93Å
524	V	36.9	Very low	54.7	Low	164 Å²	164	134.8 Å²	134.8	99%	0.994	69%	0.688	S	S	*	*	S	Bend	trans	-51.7	88	156.6	-179.3	0	0	0	0	108
525	G	43.7	Very low	55	Low	43 Å²	43	133.9 Å²	133.9	44%	0.443	69%	0.687	S	S	.	*			trans	167.1	87.9	-165.9	0	0	0	0	0	113.9	S523	S523-G525 PolarHBondContact O-N 2.93Å
526	N	47.5	Very low	55.2	Low	138 Å²	138	129.4 Å²	129.4	74%	0.738	67%	0.67	S	S	*	*			trans	63.1	103.4	146.5	-60	-18.7	0	0	0	120.1
527	R	43.6	Very low	55.5	Low	251 Å²	251	124.2 Å²	124.2	95%	0.947	66%	0.655	S	S	*	*				-163.9	84.5	110	-114	-178.7	-96.8	-165.9	-4.8	109.7
528	V	50.7	Low	56.5	Low	63 Å²	63	124 Å²	124	38%	0.382	65%	0.649	S	S	.	*			trans	-89	129.1	176.1	-177.7	0	0	0	0	107.4	H532 Q533	V528-H532 VanDerWaalsContact CG1-C 3.43Å; V528-H532 HydrophobicContact CG1-CB 3.32Å; V528-H532 VanDerWaalsContact CG1-CG 3.46Å; V528-H532 VanDerWaalsContact CG1-ND1 3.33Å; V528-H532 WeakPolarHBondContact CG1-ND1 3.35Å; V528-Q533 HydrophobicContact CB-CB 4.41Å; V528-Q533 HydrophobicContact CG1-CB 4.4Å
529	G	62	Low	57.4	Low	52 Å²	52	123.1 Å²	123.1	54%	0.536	64%	0.637	S	S	.	*			trans	-52.9	149.8	177.5	0	0	0	0	0	111.8	L531 H532 Q533	G529-L531 PolarHBondContact O-N 3.3Å; G529-H532 PolarHBondContact O-N 2.95Å; G529-Q533 PolarHBondContact O-N 3.05Å
530	S	72.1	Confident	58.4	Low	112 Å²	112	120.2 Å²	120.2	78%	0.783	63%	0.625	S	S	*	*	H	α-helix	trans	-50	-35.4	-167.3	70.7	0	0	0	0	114.2	F534	S530-F534 WeakPolarHBondContact O-CB 3.44Å; S530-F534 PolarHBondContact O-N 3.17Å
531	L	68.5	Low	59.4	Low	130 Å²	130	115.5 Å²	115.5	68%	0.681	62%	0.616	S	S	*	*	H	α-helix	trans	-71.7	-42.9	179.5	-155	117	0	0	0	112.8	G529 Q533 F534 M535	G529-L531 PolarHBondContact O-N 3.3Å; L531-Q533 VanDerWaalsContact C-N 3.34Å; L531-F534 PolarHBondContact O-N 2.95Å; L531-M535 HydrophobicContact CD2-SD 4.24Å; L531-M535 WeakPolarHBondContact O-CG 3.48Å; L531-M535 PolarHBondContact O-N 3.15Å
532	H	67	Low	60.4	Low	116 Å²	116	114.6 Å²	114.6	54%	0.537	61%	0.61	S	S	.	*	H	α-helix	trans	-76.3	-27	-179.4	-168.7	-47.2	0	0	0	110.8	V528 G529 V536	V528-H532 VanDerWaalsContact CG1-C 3.43Å; V528-H532 HydrophobicContact CG1-CB 3.32Å; V528-H532 VanDerWaalsContact CG1-CG 3.46Å; V528-H532 VanDerWaalsContact CG1-ND1 3.33Å; V528-H532 WeakPolarHBondContact CG1-ND1 3.35Å; G529-H532 PolarHBondContact O-N 2.95Å; H532-V536 WeakPolarHBondContact O-CB 3.4Å; H532-V536 WeakPolarHBondContact O-CG2 3.47Å; H532-V536 PolarHBondContact O-N 3.34Å
533	Q	73.3	Confident	61.1	Low	84 Å²	84	110.8 Å²	110.8	39%	0.393	59%	0.59	S	S	.	*	H	α-helix	trans	-67.5	-43.6	168.7	-175	131.9	-12.6	0	0	111.6	V528 G529 L531 V536 Q537	V528-Q533 HydrophobicContact CB-CB 4.41Å; V528-Q533 HydrophobicContact CG1-CB 4.4Å; G529-Q533 PolarHBondContact O-N 3.05Å; L531-Q533 VanDerWaalsContact C-N 3.34Å; Q533-V536 PolarHBondContact O-N 2.93Å; Q533-Q537 WeakPolarHBondContact O-CB 3.5Å; Q533-Q537 PolarHBondContact O-N 3.08Å
534	F	78.5	Confident	62.1	Low	125 Å²	125	111.1 Å²	111.1	55%	0.548	58%	0.584	S	S	.	*	H	α-helix	trans	-62.8	-42.4	174.6	-177	-96.8	0	0	0	112.1	S530 L531 Q537 Q538	S530-F534 WeakPolarHBondContact O-CB 3.44Å; S530-F534 PolarHBondContact O-N 3.17Å; L531-F534 PolarHBondContact O-N 2.95Å; F534-Q537 PolarHBondContact O-N 3.17Å; F534-Q538 HydrophobicContact CD1-CG 4.35Å; F534-Q538 HydrophobicContact CE1-CG 3.96Å; F534-Q538 HydrophobicContact CZ-CG 4.13Å; F534-Q538 WeakPolarHBondContact O-CG 3.09Å; F534-Q538 PolarHBondContact O-N 3.17Å
535	M	73.6	Confident	63	Low	101 Å²	101	108.7 Å²	108.7	50%	0.498	56%	0.562	S	S	.	*	H	α-helix	trans	-63.8	-45.6	175.9	-77.5	-178.1	62.3	0	0	112.4	L531 Q537 Q538 I539	L531-M535 HydrophobicContact CD2-SD 4.24Å; L531-M535 WeakPolarHBondContact O-CG 3.48Å; L531-M535 PolarHBondContact O-N 3.15Å; M535-Q537 VanDerWaalsContact C-N 3.34Å; M535-Q537 PolarHBondContact O-N 2.6Å; M535-Q538 PolarHBondContact O-N 3.21Å; M535-I539 VanDerWaalsContact O-CG1 3.26Å; M535-I539 WeakPolarHBondContact O-CG1 3.34Å; M535-I539 PolarHBondContact O-N 3.04Å
536	V	70.4	Confident	63.7	Low	64 Å²	64	110.1 Å²	110.1	39%	0.388	57%	0.57	S	S	.	*	H	α-helix	trans	-62.9	-42.3	177.2	170.6	0	0	0	0	110.6	H532 Q533 Q538 I539 V540	H532-V536 WeakPolarHBondContact O-CB 3.4Å; H532-V536 WeakPolarHBondContact O-CG2 3.47Å; H532-V536 PolarHBondContact O-N 3.34Å; Q533-V536 PolarHBondContact O-N 2.93Å; V536-Q538 PolarHBondContact O-N 3.26Å; V536-I539 PolarHBondContact O-N 2.73Å; V536-V540 HydrophobicContact CG1-CG2 4.08Å; V536-V540 WeakPolarHBondContact O-CB 3.42Å; V536-V540 VanDerWaalsContact O-CG2 3.23Å; V536-V540 WeakPolarHBondContact O-CG2 3.43Å; V536-V540 PolarHBondContact O-N 2.84Å
537	Q	71.1	Confident	64.3	Low	110 Å²	110	106.6 Å²	106.6	51%	0.514	55%	0.551	S	S	.	*	H	α-helix	trans	-59.5	-44.1	173.5	-84.1	-178.7	-25.6	0	0	112.2	Q533 F534 M535 V540 L541	Q533-Q537 WeakPolarHBondContact O-CB 3.5Å; Q533-Q537 PolarHBondContact O-N 3.08Å; F534-Q537 PolarHBondContact O-N 3.17Å; M535-Q537 VanDerWaalsContact C-N 3.34Å; M535-Q537 PolarHBondContact O-N 2.6Å; Q537-V540 PolarHBondContact O-N 3.11Å; Q537-L541 WeakPolarHBondContact O-CB 3.45Å; Q537-L541 WeakPolarHBondContact O-CD1 3.43Å; Q537-L541 WeakPolarHBondContact O-CG 3.43Å; Q537-L541 PolarHBondContact O-N 3.43Å
538	Q	74.2	Confident	65	Low	79 Å²	79	98.6 Å²	98.6	37%	0.369	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-36.1	177.1	-77.9	-73.2	-33.4	0	0	112.8	F534 M535 V536 K542	F534-Q538 HydrophobicContact CD1-CG 4.35Å; F534-Q538 HydrophobicContact CE1-CG 3.96Å; F534-Q538 HydrophobicContact CZ-CG 4.13Å; F534-Q538 WeakPolarHBondContact O-CG 3.09Å; F534-Q538 PolarHBondContact O-N 3.17Å; M535-Q538 PolarHBondContact O-N 3.21Å; V536-Q538 PolarHBondContact O-N 3.26Å; Q538-K542 VanDerWaalsContact O-CB 3.31Å; Q538-K542 WeakPolarHBondContact O-CB 3.38Å; Q538-K542 WeakPolarHBondContact O-CG 3.47Å; Q538-K542 PolarHBondContact O-N 2.99Å; Q538-K542 VanDerWaalsContact O-N 3.09Å
539	I	66.1	Low	65.3	Low	91 Å²	91	103.7 Å²	103.7	47%	0.467	54%	0.536	S	S	.	.	H	α-helix	trans	-69.8	-46.5	176.8	-68.5	165.8	0	0	0	110.2	M535 V536 K542 K543	M535-I539 VanDerWaalsContact O-CG1 3.26Å; M535-I539 WeakPolarHBondContact O-CG1 3.34Å; M535-I539 PolarHBondContact O-N 3.04Å; V536-I539 PolarHBondContact O-N 2.73Å; I539-K542 PolarHBondContact O-N 3.47Å; I539-K543 HydrophobicContact CG2-CD 4.44Å; I539-K543 WeakPolarHBondContact O-CB 3.12Å; I539-K543 PolarHBondContact O-N 3Å
540	V	66.7	Low	65.1	Low	99 Å²	99	102 Å²	102	60%	0.6	52%	0.518	S	S	*	.	H	α-helix	trans	-67.4	-38.4	179.3	173.6	0	0	0	0	111.4	V536 Q537	V536-V540 HydrophobicContact CG1-CG2 4.08Å; V536-V540 WeakPolarHBondContact O-CB 3.42Å; V536-V540 VanDerWaalsContact O-CG2 3.23Å; V536-V540 WeakPolarHBondContact O-CG2 3.43Å; V536-V540 PolarHBondContact O-N 2.84Å; Q537-V540 PolarHBondContact O-N 3.11Å
541	L	64.6	Low	64.5	Low	134 Å²	134	103.4 Å²	103.4	70%	0.702	51%	0.512	S	S	*	.	H	α-helix	trans	-70.2	-30	176.3	-76.6	164.1	0	0	0	112.9	Q537	Q537-L541 WeakPolarHBondContact O-CB 3.45Å; Q537-L541 WeakPolarHBondContact O-CD1 3.43Å; Q537-L541 WeakPolarHBondContact O-CG 3.43Å; Q537-L541 PolarHBondContact O-N 3.43Å
542	K	60.2	Low	64.3	Low	167 Å²	167	105.1 Å²	105.1	73%	0.726	51%	0.514	S	S	*	.	H	α-helix	trans	-88.6	-21.3	178.4	-76.2	-173.8	177.3	-177.7	0	113.9	Q538 I539	Q538-K542 VanDerWaalsContact O-CB 3.31Å; Q538-K542 WeakPolarHBondContact O-CB 3.38Å; Q538-K542 WeakPolarHBondContact O-CG 3.47Å; Q538-K542 PolarHBondContact O-N 2.99Å; Q538-K542 VanDerWaalsContact O-N 3.09Å; I539-K542 PolarHBondContact O-N 3.47Å
543	K	55.4	Low	64.5	Low	102 Å²	102	104.2 Å²	104.2	44%	0.443	51%	0.513	S	S	.	.			trans	-117.2	96.9	-177	-70.7	-171.7	169.1	-169.3	0	110.8	I539 E545	I539-K543 HydrophobicContact CG2-CD 4.44Å; I539-K543 WeakPolarHBondContact O-CB 3.12Å; I539-K543 PolarHBondContact O-N 3Å; K543-E545 PolarHBondContact O-N 3.24Å
544	N	58.9	Low	64.7	Low	108 Å²	108	106.3 Å²	106.3	58%	0.578	53%	0.525	S	S	*	.			trans	-62.4	83.9	154.4	-76.4	-3.6	0	0	0	108.2	A546 D547 E548	N544-A546 PolarHBondContact O-N 2.77Å; N544-D547 HydrophobicContact CB-CB 4.06Å; N544-D547 WeakPolarHBondContact CB-OD2 3.5Å; N544-D547 PolarHBondContact ND2-OD2 3.24Å; N544-D547 PolarHBondContact O-N 2.63Å; N544-E548 PolarHBondContact O-N 2.96Å
545	E	54.7	Low	64.6	Low	113 Å²	113	109.6 Å²	109.6	53%	0.528	53%	0.534	S	S	.	.	H	α-helix	trans	-56.6	-24.9	177.6	-77.9	-164.4	175.9	0	0	112.6	K543 D547 R549	K543-E545 PolarHBondContact O-N 3.24Å; E545-D547 VanDerWaalsContact C-N 3.32Å; E545-R549 WeakPolarHBondContact O-CB 3.39Å; E545-R549 PolarHBondContact O-N 2.94Å; E545-R549 IonicContact OE2-NH1 3.48Å; E545-R549 PolarHBondContact OE2-NH1 2.86Å
546	A	57.9	Low	64.8	Low	73 Å²	73	105.9 Å²	105.9	60%	0.603	52%	0.522	S	S	*	.	H	α-helix	trans	-68.9	-29.4	175.8	0	0	0	0	0	113	N544 A550 R560	N544-A546 PolarHBondContact O-N 2.77Å; A546-A550 WeakPolarHBondContact O-CB 3.31Å; A546-A550 PolarHBondContact O-N 3.23Å; A546-R560 PolarHBondContact O-NH2 2.85Å
547	D	59.7	Low	65.1	Low	64 Å²	64	104 Å²	104	34%	0.342	51%	0.513	S	S	.	.	H	α-helix	trans	-82	-45.9	176.3	-71.2	-35.1	0	0	0	110.7	N544 E545 R549 A550 E551 R560	N544-D547 HydrophobicContact CB-CB 4.06Å; N544-D547 WeakPolarHBondContact CB-OD2 3.5Å; N544-D547 PolarHBondContact ND2-OD2 3.24Å; N544-D547 PolarHBondContact O-N 2.63Å; E545-D547 VanDerWaalsContact C-N 3.32Å; D547-R549 PolarHBondContact O-N 2.76Å; D547-A550 PolarHBondContact O-N 2.94Å; D547-A550 VanDerWaalsContact O-N 3.16Å; D547-E551 WeakPolarHBondContact O-CG 3.48Å; D547-E551 PolarHBondContact O-N 3Å; D547-R560 IonicContact OD1-CZ 2.65Å; D547-R560 IonicContact OD1-NH1 3.63Å; D547-R560 PolarHBondContact OD1-NH1 2.82Å; D547-R560 IonicContact OD1-NH2 2.69Å
548	E	59.9	Low	65.5	Low	83 Å²	83	104.1 Å²	104.1	39%	0.388	52%	0.516	S	S	.	.	H	α-helix	trans	-63.8	-37.8	176.4	-76.4	-171.5	179	0	0	113	N544 A550 E551 K552	N544-E548 PolarHBondContact O-N 2.96Å; E548-A550 VanDerWaalsContact C-N 3.29Å; E548-A550 PolarHBondContact O-N 3.48Å; E548-E551 PolarHBondContact O-N 2.92Å; E548-K552 WeakPolarHBondContact O-CG 3.45Å; E548-K552 PolarHBondContact O-N 3.39Å; E548-K552 VanDerWaalsContact O-N 3.14Å
549	R	57.2	Low	66	Low	170 Å²	170	105.7 Å²	105.7	64%	0.642	53%	0.526	S	S	*	.	H	α-helix	trans	-64.7	-36.2	175.1	-97.8	-172.1	-174.3	86.1	-1.5	112	E545 D547 K552 D553	E545-R549 WeakPolarHBondContact O-CB 3.39Å; E545-R549 PolarHBondContact O-N 2.94Å; E545-R549 IonicContact OE2-NH1 3.48Å; E545-R549 PolarHBondContact OE2-NH1 2.86Å; D547-R549 PolarHBondContact O-N 2.76Å; R549-K552 PolarHBondContact O-N 2.87Å; R549-D553 PolarHBondContact O-N 2.9Å
550	A	56.6	Low	66.4	Low	17 Å²	17	107.1 Å²	107.1	14%	0.14	53%	0.526	C	S	.	.	H	α-helix	trans	-79.8	-25.4	-180	0	0	0	0	0	113.3	A546 D547 E548 K552 D553	A546-A550 WeakPolarHBondContact O-CB 3.31Å; A546-A550 PolarHBondContact O-N 3.23Å; D547-A550 PolarHBondContact O-N 2.94Å; D547-A550 VanDerWaalsContact O-N 3.16Å; E548-A550 VanDerWaalsContact C-N 3.29Å; E548-A550 PolarHBondContact O-N 3.48Å; A550-K552 VanDerWaalsContact C-N 3.31Å; A550-D553 VanDerWaalsContact O-O 3.12Å
551	E	59.3	Low	67	Low	141 Å²	141	107.8 Å²	107.8	66%	0.659	52%	0.522	S	S	*	.	H	α-helix	trans	-68.9	-30.5	167.8	-75.4	-179.8	175	0	0	112	D547 E548	D547-E551 WeakPolarHBondContact O-CG 3.48Å; D547-E551 PolarHBondContact O-N 3Å; E548-E551 PolarHBondContact O-N 2.92Å
552	K	64	Low	67.9	Low	166 Å²	166	103.2 Å²	103.2	72%	0.722	50%	0.503	S	S	*	.	H	α-helix	trans	-70.9	-30.2	175.1	-76	175.1	-178.5	172.5	0	113.5	E548 R549 A550 I554	E548-K552 WeakPolarHBondContact O-CG 3.45Å; E548-K552 PolarHBondContact O-N 3.39Å; E548-K552 VanDerWaalsContact O-N 3.14Å; R549-K552 PolarHBondContact O-N 2.87Å; A550-K552 VanDerWaalsContact C-N 3.31Å; K552-I554 PolarHBondContact O-N 2.77Å
553	D	72.7	Confident	68.9	Low	98 Å²	98	100 Å²	100	52%	0.524	49%	0.494	S	S	.	.	S	Bend	trans	-89.5	98.5	174.6	-166.2	-3.7	0	0	0	110.1	R549 A550 R555 G556 A557	R549-D553 PolarHBondContact O-N 2.9Å; A550-D553 VanDerWaalsContact O-O 3.12Å; D553-R555 PolarHBondContact O-N 3.01Å; D553-R555 PolarHBondContact OD1-N 2.91Å; D553-G556 WeakPolarHBondContact O-CA 3.42Å; D553-G556 PolarHBondContact O-N 3.05Å; D553-A557 PolarHBondContact O-N 3.06Å
554	I	76.8	Confident	70.1	Confident	127 Å²	127	101 Å²	101	65%	0.651	50%	0.5	S	S	*	.	H	α-helix	trans	-50.8	-36.8	-176.7	-57.9	169.2	0	0	0	111.1	K552 I558	K552-I554 PolarHBondContact O-N 2.77Å; I554-I558 HydrophobicContact CG2-CD1 3.79Å; I554-I558 HydrophobicContact CG2-CG1 4.4Å; I554-I558 VanDerWaalsContact O-CG1 3.24Å; I554-I558 WeakPolarHBondContact O-CG1 3.23Å; I554-I558 PolarHBondContact O-N 2.96Å
555	R	77.6	Confident	71.2	Confident	195 Å²	195	98.5 Å²	98.5	74%	0.736	50%	0.495	S	S	*	.	H	α-helix	trans	-66.7	-43	179	-175.1	176.5	178.2	141.4	0.1	111.8	D553 L559	D553-R555 PolarHBondContact O-N 3.01Å; D553-R555 PolarHBondContact OD1-N 2.91Å; R555-L559 HydrophobicContact CG-CD1 4.21Å; R555-L559 PolarHBondContact O-N 2.73Å; R555-L559 VanDerWaalsContact O-N 3.15Å
556	G	76.6	Confident	72.4	Confident	23 Å²	23	101.1 Å²	101.1	24%	0.237	51%	0.505	C	S	.	.	H	α-helix	trans	-65.2	-43.4	176.7	0	0	0	0	0	112.1	D553 L559 R560	D553-G556 WeakPolarHBondContact O-CA 3.42Å; D553-G556 PolarHBondContact O-N 3.05Å; G556-L559 PolarHBondContact O-N 2.97Å; G556-R560 WeakPolarHBondContact O-CG 3.09Å; G556-R560 PolarHBondContact O-N 3.11Å
557	A	76.9	Confident	73.6	Confident	24 Å²	24	105.9 Å²	105.9	20%	0.198	51%	0.512	C	S	.	.	H	α-helix	trans	-61.5	-45.3	176.5	0	0	0	0	0	112.4	D553 L559 R560 H561	D553-A557 PolarHBondContact O-N 3.06Å; A557-L559 VanDerWaalsContact C-N 3.34Å; A557-L559 PolarHBondContact O-N 3.04Å; A557-R560 PolarHBondContact O-N 2.99Å; A557-H561 PolarHBondContact O-CD2 2.97Å; A557-H561 VanDerWaalsContact O-CD2 3.26Å; A557-H561 PolarHBondContact O-N 2.81Å
558	I	80.4	Confident	74.8	Confident	112 Å²	112	110.5 Å²	110.5	57%	0.574	53%	0.531	S	S	*	.	H	α-helix	trans	-61.8	-42.5	177.2	-69.6	168	0	0	0	111.1	I554 H561 A562	I554-I558 HydrophobicContact CG2-CD1 3.79Å; I554-I558 HydrophobicContact CG2-CG1 4.4Å; I554-I558 VanDerWaalsContact O-CG1 3.24Å; I554-I558 WeakPolarHBondContact O-CG1 3.23Å; I554-I558 PolarHBondContact O-N 2.96Å; I558-H561 PolarHBondContact O-N 3.15Å; I558-A562 WeakPolarHBondContact O-CB 3.36Å; I558-A562 PolarHBondContact O-N 2.84Å
559	L	82.9	Confident	75.9	Confident	112 Å²	112	108 Å²	108	59%	0.586	52%	0.522	S	S	*	.	H	α-helix	trans	-65.1	-40.1	179.4	-88.9	156.1	0	0	0	112.7	R555 G556 A557 A562	R555-L559 HydrophobicContact CG-CD1 4.21Å; R555-L559 PolarHBondContact O-N 2.73Å; R555-L559 VanDerWaalsContact O-N 3.15Å; G556-L559 PolarHBondContact O-N 2.97Å; A557-L559 VanDerWaalsContact C-N 3.34Å; A557-L559 PolarHBondContact O-N 3.04Å; L559-A562 PolarHBondContact O-N 3.25Å
560	R	74.8	Confident	77	Confident	122 Å²	122	107.2 Å²	107.2	46%	0.46	52%	0.524	S	S	.	.	H	α-helix	trans	-61.2	-46.7	175.9	-73.7	-179.9	-174.3	-162.2	-5.6	112	A546 D547 G556 A557 A562	A546-R560 PolarHBondContact O-NH2 2.85Å; D547-R560 IonicContact OD1-CZ 2.65Å; D547-R560 IonicContact OD1-NH1 3.63Å; D547-R560 PolarHBondContact OD1-NH1 2.82Å; D547-R560 IonicContact OD1-NH2 2.69Å; G556-R560 WeakPolarHBondContact O-CG 3.09Å; G556-R560 PolarHBondContact O-N 3.11Å; A557-R560 PolarHBondContact O-N 2.99Å; R560-A562 VanDerWaalsContact C-N 3.34Å
561	H	80	Confident	77.9	Confident	113 Å²	113	117 Å²	117	52%	0.523	56%	0.557	S	S	.	*	H	α-helix	trans	-81.6	-11.3	-177.9	-66.1	-60.9	0	0	0	113.6	A557 I558 E564 A565	A557-H561 PolarHBondContact O-CD2 2.97Å; A557-H561 VanDerWaalsContact O-CD2 3.26Å; A557-H561 PolarHBondContact O-N 2.81Å; I558-H561 PolarHBondContact O-N 3.15Å; H561-E564 IonicContact ND1-OE2 3.66Å; H561-E564 PolarHBondContact ND1-OE2 2.75Å; H561-E564 PolarHBondContact O-N 2.97Å; H561-A565 WeakPolarHBondContact O-CB 3.31Å; H561-A565 PolarHBondContact O-N 3Å
562	A	84.1	Confident	78.8	Confident	37 Å²	37	113.4 Å²	113.4	31%	0.306	55%	0.545	S	S	.	.	H	α-helix	trans	-64.2	-42.7	179	0	0	0	0	0	112.6	I558 L559 R560 K566	I558-A562 WeakPolarHBondContact O-CB 3.36Å; I558-A562 PolarHBondContact O-N 2.84Å; L559-A562 PolarHBondContact O-N 3.25Å; R560-A562 VanDerWaalsContact C-N 3.34Å; A562-K566 WeakPolarHBondContact O-CG 3.23Å; A562-K566 PolarHBondContact O-N 2.99Å; A562-K566 VanDerWaalsContact O-N 3.12Å
563	D	80.1	Confident	79.5	Confident	100 Å²	100	114.4 Å²	114.4	54%	0.535	54%	0.544	S	S	.	.	H	α-helix	trans	-72.7	-35.9	179.3	-73	-17.3	0	0	0	111.9	K566 K567	D563-K566 PolarHBondContact O-N 3.01Å; D563-K567 WeakPolarHBondContact O-CG 3.46Å; D563-K567 PolarHBondContact O-N 3.21Å
564	E	81	Confident	79.7	Confident	122 Å²	122	113.3 Å²	113.3	57%	0.57	55%	0.549	S	S	*	.	H	α-helix	trans	-68.5	-43.3	176.1	-163.8	171.3	-153.2	0	0	111.4	H561 K566 K567 Q568	H561-E564 IonicContact ND1-OE2 3.66Å; H561-E564 PolarHBondContact ND1-OE2 2.75Å; H561-E564 PolarHBondContact O-N 2.97Å; E564-K566 VanDerWaalsContact C-N 3.27Å; E564-K566 PolarHBondContact O-N 2.82Å; E564-K567 PolarHBondContact O-N 3.47Å; E564-Q568 PolarHBondContact O-N 2.99Å
565	A	82.1	Confident	79.7	Confident	56 Å²	56	114.5 Å²	114.5	46%	0.463	55%	0.546	S	S	.	.	H	α-helix	trans	-63.3	-31.3	174.6	0	0	0	0	0	112.8	H561	H561-A565 WeakPolarHBondContact O-CB 3.31Å; H561-A565 PolarHBondContact O-N 3Å
566	K	79.8	Confident	79.6	Confident	169 Å²	169	110.1 Å²	110.1	74%	0.735	54%	0.537	S	S	*	.	H	α-helix	trans	-71.9	-41.4	171.9	-79.5	177.9	-178.7	174.6	0	112.6	A562 D563 E564	A562-K566 WeakPolarHBondContact O-CG 3.23Å; A562-K566 PolarHBondContact O-N 2.99Å; A562-K566 VanDerWaalsContact O-N 3.12Å; D563-K566 PolarHBondContact O-N 3.01Å; E564-K566 VanDerWaalsContact C-N 3.27Å; E564-K566 PolarHBondContact O-N 2.82Å
567	K	84.1	Confident	79.7	Confident	173 Å²	173	118.6 Å²	118.6	75%	0.752	57%	0.567	S	S	*	*	H	α-helix	trans	-71.8	-39	-179.4	-74.3	174.4	-176.6	174.3	0	112.5	D563 E564	D563-K567 WeakPolarHBondContact O-CG 3.46Å; D563-K567 PolarHBondContact O-N 3.21Å; E564-K567 PolarHBondContact O-N 3.47Å
568	Q	84.7	Confident	79.9	Confident	160 Å²	160	122.5 Å²	122.5	75%	0.748	59%	0.588	S	S	*	*	S	Bend	trans	-131.6	78.7	-179.2	-65.1	-161.6	4.1	0	0	111.6	E564 F570	E564-Q568 PolarHBondContact O-N 2.99Å; Q568-F570 PolarHBondContact O-N 2.98Å
569	P	82.7	Confident	79.8	Confident	30 Å²	30	123 Å²	123	20%	0.195	59%	0.588	C	S	.	*			trans	-72	88.6	177.3	27.5	-31.8	0	0	0	110.3	T572 R573 L576	P569-T572 WeakPolarHBondContact CB-OG1 3.38Å; P569-R573 WeakPolarHBondContact O-CB 3.29Å; P569-R573 WeakPolarHBondContact O-CG 3.24Å; P569-L576 HydrophobicContact CB-CD1 4.11Å; P569-L576 HydrophobicContact CG-CD1 3.7Å
570	F	79.2	Confident	79.6	Confident	155 Å²	155	122.9 Å²	122.9	68%	0.68	59%	0.594	S	S	*	*	S	Bend	trans	-74	-53.1	174.5	-175	-97.4	0	0	0	111.1	Q568	Q568-F570 PolarHBondContact O-N 2.98Å
571	W	76.3	Confident	79.6	Confident	221 Å²	221	124.1 Å²	124.1	84%	0.837	61%	0.61	S	S	*	*	S	Bend	trans	-82.8	-30	-177.9	-65.9	111.1	0	0	0	114
572	T	77.2	Confident	79.3	Confident	66 Å²	66	122.9 Å²	122.9	41%	0.405	61%	0.612	S	S	.	*	S	Bend	trans	-91.9	3.1	-175.6	47.8	0	0	0	0	114.1	P569 A574 Y575 L576	P569-T572 WeakPolarHBondContact CB-OG1 3.38Å; T572-A574 VanDerWaalsContact C-N 3.25Å; T572-A574 PolarHBondContact O-N 2.84Å; T572-A574 VanDerWaalsContact O-N 3.15Å; T572-Y575 PolarHBondContact O-N 3.08Å; T572-L576 PolarHBondContact O-N 3.33Å
573	R	79.3	Confident	78.9	Confident	188 Å²	188	129.3 Å²	129.3	71%	0.709	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	-35	-174	-133.9	172.7	177.7	172.7	0.4	113.9	P569	P569-R573 WeakPolarHBondContact O-CB 3.29Å; P569-R573 WeakPolarHBondContact O-CG 3.24Å
574	A	77.6	Confident	78.5	Confident	75 Å²	75	132.3 Å²	132.3	62%	0.62	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-34.1	176.2	0	0	0	0	0	112.9	T572	T572-A574 VanDerWaalsContact C-N 3.25Å; T572-A574 PolarHBondContact O-N 2.84Å; T572-A574 VanDerWaalsContact O-N 3.15Å
575	Y	77.3	Confident	77.8	Confident	152 Å²	152	133.7 Å²	133.7	60%	0.596	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-77	-23.6	-177	-65.1	-77.2	0	0	0	113	T572 K577 T578 Q579	T572-Y575 PolarHBondContact O-N 3.08Å; Y575-K577 PolarHBondContact O-N 3.31Å; Y575-T578 PolarHBondContact O-N 2.68Å; Y575-T578 PolarHBondContact O-OG1 2.86Å; Y575-Q579 WeakPolarHBondContact O-CB 3.49Å; Y575-Q579 PolarHBondContact O-N 3.34Å
576	L	74.4	Confident	76.7	Confident	103 Å²	103	135.2 Å²	135.2	54%	0.539	66%	0.655	S	S	.	*	G	3₁₀ helix	trans	-55.1	-26.3	175.7	-78.5	168.3	0	0	0	113.8	P569 T572	P569-L576 HydrophobicContact CB-CD1 4.11Å; P569-L576 HydrophobicContact CG-CD1 3.7Å; T572-L576 PolarHBondContact O-N 3.33Å
577	K	77.9	Confident	75.7	Confident	200 Å²	200	132.6 Å²	132.6	87%	0.87	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-80.2	-26.4	176.7	-71.9	-174.9	178.3	-178.8	0	113.7	Y575	Y575-K577 PolarHBondContact O-N 3.31Å
578	T	82.2	Confident	74.7	Confident	106 Å²	106	131.3 Å²	131.3	65%	0.65	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	-6.8	-173.2	53.9	0	0	0	0	113	Y575 P580	Y575-T578 PolarHBondContact O-N 2.68Å; Y575-T578 PolarHBondContact O-OG1 2.86Å; T578-P580 VanDerWaalsContact O-CD 3.3Å; T578-P580 WeakPolarHBondContact O-CD 3.36Å
579	Q	78.1	Confident	73.2	Confident	122 Å²	122	130 Å²	130	57%	0.57	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-70.7	116.8	-176.2	-164.2	161.4	16.2	0	0	110.2	Y575 N581	Y575-Q579 WeakPolarHBondContact O-CB 3.49Å; Y575-Q579 PolarHBondContact O-N 3.34Å; Q579-N581 PolarHBondContact O-N 2.84Å
580	P	79.2	Confident	71.6	Confident	111 Å²	111	137.6 Å²	137.6	72%	0.721	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-64	135.1	173.9	25.8	-31.8	0	0	0	109.2	T578 P582	T578-P580 VanDerWaalsContact O-CD 3.3Å; T578-P580 WeakPolarHBondContact O-CD 3.36Å; P580-P582 VanDerWaalsContact O-CD 3.25Å; P580-P582 WeakPolarHBondContact O-CD 2.96Å
581	N	74.8	Confident	70.2	Confident	148 Å²	148	134.4 Å²	134.4	79%	0.791	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-67.7	117	173.7	-76.1	-21.2	0	0	0	108.7	Q579 I583	Q579-N581 PolarHBondContact O-N 2.84Å; N581-I583 PolarHBondContact O-N 3.03Å; N581-I583 VanDerWaalsContact O-N 3.13Å
582	P	73.4	Confident	68.8	Low	87 Å²	87	131.9 Å²	131.9	57%	0.565	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-64.6	117	175.1	25.9	-32	0	0	0	109	P580 F584	P580-P582 VanDerWaalsContact O-CD 3.25Å; P580-P582 WeakPolarHBondContact O-CD 2.96Å; P582-F584 HydrophobicContact CB-CD2 4.14Å; P582-F584 HydrophobicContact CB-CE1 4.22Å; P582-F584 HydrophobicContact CB-CE2 3.61Å; P582-F584 HydrophobicContact CB-CZ 3.65Å; P582-F584 HydrophobicContact CG-CD2 4.16Å; P582-F584 HydrophobicContact CG-CE2 3.4Å; P582-F584 HydrophobicContact CG-CZ 3.76Å; P582-F584 PolarHBondContact O-N 3.46Å; P582-F584 VanDerWaalsContact O-N 3.11Å
583	I	75.9	Confident	67.7	Low	172 Å²	172	137.9 Å²	137.9	88%	0.882	69%	0.691	S	S	*	*			trans	-78.6	92.5	170	-57.9	170.3	0	0	0	105.9	N581	N581-I583 PolarHBondContact O-N 3.03Å; N581-I583 VanDerWaalsContact O-N 3.13Å
584	F	70.6	Confident	66.6	Low	163 Å²	163	135.8 Å²	135.8	72%	0.715	69%	0.694	S	S	*	*			trans	-76.2	147.4	170.2	-64.5	-68.9	0	0	0	109.4	P582 N586	P582-F584 HydrophobicContact CB-CD2 4.14Å; P582-F584 HydrophobicContact CB-CE1 4.22Å; P582-F584 HydrophobicContact CB-CE2 3.61Å; P582-F584 HydrophobicContact CB-CZ 3.65Å; P582-F584 HydrophobicContact CG-CD2 4.16Å; P582-F584 HydrophobicContact CG-CE2 3.4Å; P582-F584 HydrophobicContact CG-CZ 3.76Å; P582-F584 PolarHBondContact O-N 3.46Å; P582-F584 VanDerWaalsContact O-N 3.11Å; F584-N586 PolarHBondContact O-N 3.34Å
585	H	66.8	Low	65.8	Low	150 Å²	150	138.7 Å²	138.7	69%	0.694	70%	0.699	S	S	*	*			trans	-63.1	109.8	170.9	-173.6	52.7	0	0	0	108.3	P587	H585-P587 VanDerWaalsContact O-CD 3.28Å; H585-P587 WeakPolarHBondContact O-CD 3.38Å
586	N	58.5	Low	64.9	Low	88 Å²	88	134.4 Å²	134.4	47%	0.471	69%	0.689	S	S	.	*			trans	-65.3	117.8	169.6	-91.1	-20.2	0	0	0	107.5	F584 D588 E589	F584-N586 PolarHBondContact O-N 3.34Å; N586-D588 PolarHBondContact O-N 2.98Å; N586-D588 VanDerWaalsContact O-N 3.11Å; N586-E589 HydrophobicContact CB-CB 4.05Å; N586-E589 HydrophobicContact CB-CG 3.9Å; N586-E589 PolarHBondContact O-N 3.22Å
587	P	60.4	Low	64.1	Low	114 Å²	114	132.8 Å²	132.8	74%	0.74	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-22.9	174.6	-19.5	31.9	0	0	0	112.3	H585	H585-P587 VanDerWaalsContact O-CD 3.28Å; H585-P587 WeakPolarHBondContact O-CD 3.38Å
588	D	61.4	Low	63.2	Low	147 Å²	147	128.5 Å²	128.5	79%	0.786	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-5.4	-175.3	-55.9	-32.9	0	0	0	113.7	N586 E590	N586-D588 PolarHBondContact O-N 2.98Å; N586-D588 VanDerWaalsContact O-N 3.11Å; D588-E590 PolarHBondContact O-N 3.05Å; D588-E590 VanDerWaalsContact O-N 3.08Å
589	E	54.1	Low	62.6	Low	133 Å²	133	131.7 Å²	131.7	62%	0.621	68%	0.676	S	S	*	*	S	Bend	trans	-76.4	101.3	168.7	-86.7	-178	-179.2	0	0	108.2	N586 V591	N586-E589 HydrophobicContact CB-CB 4.05Å; N586-E589 HydrophobicContact CB-CG 3.9Å; N586-E589 PolarHBondContact O-N 3.22Å; E589-V591 VanDerWaalsContact C-N 3.31Å; E589-V591 PolarHBondContact O-N 2.91Å
590	E	48.5	Very low	61.8	Low	188 Å²	188	132.4 Å²	132.4	88%	0.879	68%	0.677	S	S	*	*			trans	-48.7	94.7	172.8	-69.5	-174.5	158.3	0	0	109.9	D588 K592	D588-E590 PolarHBondContact O-N 3.05Å; D588-E590 VanDerWaalsContact O-N 3.08Å; E590-K592 PolarHBondContact O-N 3.48Å
591	V	49.7	Very low	60.8	Low	88 Å²	88	133.4 Å²	133.4	53%	0.533	67%	0.67	S	S	.	*			trans	-58.2	106.8	164.7	176.9	0	0	0	0	105.3	E589 K593	E589-V591 VanDerWaalsContact C-N 3.31Å; E589-V591 PolarHBondContact O-N 2.91Å; V591-K593 PolarHBondContact O-N 2.7Å; V591-K593 VanDerWaalsContact O-N 3.1Å
592	K	48.1	Very low	60.1	Low	168 Å²	168	133.6 Å²	133.6	73%	0.73	67%	0.666	S	S	*	*			trans	-41.3	122.5	168.7	-75.4	179	177.7	174.5	0	107.3	E590 D594 D595	E590-K592 PolarHBondContact O-N 3.48Å; K592-D594 PolarHBondContact O-N 2.8Å; K592-D595 PolarHBondContact O-N 2.74Å
593	K	53.8	Low	59.4	Low	192 Å²	192	138.4 Å²	138.4	84%	0.835	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.3	-11.4	-171.4	-96.1	175.8	174	172.2	0	115.3	V591	V591-K593 PolarHBondContact O-N 2.7Å; V591-K593 VanDerWaalsContact O-N 3.1Å
594	D	56.7	Low	58.3	Low	144 Å²	144	138.2 Å²	138.2	77%	0.77	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-18.1	-172.1	-65.1	-25.3	0	0	0	114.9	K592	K592-D594 PolarHBondContact O-N 2.8Å
595	D	60.6	Low	57.3	Low	136 Å²	136	137.6 Å²	137.6	73%	0.727	70%	0.703	S	S	*	*			trans	-101.8	19.8	-171.1	-72.3	-28.8	0	0	0	115.7	K592 P597	K592-D595 PolarHBondContact O-N 2.74Å; D595-P597 WeakPolarHBondContact O-CD 3.38Å
596	T	57.5	Low	56.8	Low	62 Å²	62	137 Å²	137	38%	0.38	70%	0.704	S	S	.	*			trans	-74.7	122.5	177.6	44	0	0	0	0	111.9	K601	T596-K601 WeakPolarHBondContact OG1-CE 3.32Å
597	P	58.1	Low	56.7	Low	70 Å²	70	139.6 Å²	139.6	46%	0.455	72%	0.716	S	S	.	*			trans	-65.1	139.5	-177.4	25.7	-33.8	0	0	0	111.8	D595 W599 K600	D595-P597 WeakPolarHBondContact O-CD 3.38Å; P597-W599 PolarHBondContact O-N 2.87Å; P597-K600 PolarHBondContact O-N 3.46Å; P597-K600 VanDerWaalsContact O-N 3.1Å
598	V	58.5	Low	56.5	Low	110 Å²	110	141 Å²	141	67%	0.667	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-51.4	-32.8	-168.6	180	0	0	0	0	114.3	K600 K601	V598-K600 VanDerWaalsContact C-N 3.29Å; V598-K600 PolarHBondContact O-N 3.05Å; V598-K601 PolarHBondContact O-N 3.49Å; V598-K601 VanDerWaalsContact O-N 3.11Å
599	W	71.1	Confident	56.2	Low	173 Å²	173	140.6 Å²	140.6	66%	0.655	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-66.9	-25	-177.2	67.8	-90.3	0	0	0	114.2	P597	P597-W599 PolarHBondContact O-N 2.87Å
600	K	59.3	Low	56.4	Low	136 Å²	136	141.1 Å²	141.1	59%	0.591	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-76.7	-23.2	174.7	-109.5	-176.5	178.9	-179.5	0	112.7	P597 V598	P597-K600 PolarHBondContact O-N 3.46Å; P597-K600 VanDerWaalsContact O-N 3.1Å; V598-K600 VanDerWaalsContact C-N 3.29Å; V598-K600 PolarHBondContact O-N 3.05Å
601	K	58.2	Low	56.9	Low	132 Å²	132	138 Å²	138	57%	0.574	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-78.4	-19.2	178.9	-70.3	-177.7	178.6	173.7	0	113.2	T596 V598	T596-K601 WeakPolarHBondContact OG1-CE 3.32Å; V598-K601 PolarHBondContact O-N 3.49Å; V598-K601 VanDerWaalsContact O-N 3.11Å
602	Q	61.1	Low	57.4	Low	152 Å²	152	141.6 Å²	141.6	71%	0.71	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-84.5	-8.3	-176.8	-80.3	-177.5	-20.7	0	0	115.7
603	K	58.7	Low	58.1	Low	188 Å²	188	139.5 Å²	139.5	82%	0.817	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-99.9	2.3	-178.2	-83.8	-171.5	174.5	-177	0	115
604	L	52.4	Low	58.5	Low	168 Å²	168	135.2 Å²	135.2	88%	0.88	71%	0.706	S	S	*	*			trans	-132.3	15.5	-173.9	-83.7	153.1	0	0	0	113.7
605	A	49.7	Very low	58.6	Low	151 Å²	151	134.4 Å²	134.4	100%	1.248	70%	0.7	S	S	*	*			trans	-116	0	159.6	0	0	0	0	0	107.3

Retrieved 605 of 605 residues in 278.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).