A0A2K5XPH8_MANLE Loading...

Kelch like family member 13

Substrate-specific adapter of a BCR (BTB-CUL3-RBX1) E3 ubiquitin-protein ligase complex required for mitotic progression and cytokinesis. The BCR(KLHL9-KLHL13) E3 ubiquitin ligase complex mediates the ubiquitination of AURKB and controls the dynamic behavior of AURKB on mitotic chromosomes and thereby coordinates faithful mitotic progression and completion of cytokinesis.

AlphaFold DB , UniProt , Accession A0A2K5XPH8, Species MANLE (Mandrillus leucophaeus, Drill), Gene KLHL13, Length 658 aa.

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(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	38	Very low	34.4	Very low	219 Å²	219	151.9 Å²	151.9	100%	1.079	69%	0.693	S	S	*	*				0	-41.4	0	-83.4	175	180	0	0	114.2	R3	M1-R3 PolarHBondContact O-N 3.43Å
2	M	24.5	Very low	34.9	Very low	170 Å²	170	142.8 Å²	142.8	84%	0.837	66%	0.664	S	S	*	*	H	α-helix	trans	-67.4	-19.6	-177.8	-87.2	176.2	169.4	0	0	117.4	T6	M2-T6 PolarHBondContact O-OG1 3.26Å
3	R	29.7	Very low	35.2	Very low	222 Å²	222	142.8 Å²	142.8	84%	0.838	66%	0.656	S	S	*	*	H	α-helix	trans	-83.1	-19.3	179	-83.6	-177.5	175.2	178	-0.6	115.1	M1 T6	M1-R3 PolarHBondContact O-N 3.43Å; R3-T6 PolarHBondContact O-OG1 3.35Å
4	V	36.2	Very low	35.7	Very low	96 Å²	96	144.6 Å²	144.6	58%	0.582	66%	0.655	S	S	*	*	H	α-helix	trans	-83.5	-29	-178.9	179.9	0	0	0	0	111.4	L7 R8	V4-L7 PolarHBondContact O-N 3.04Å; V4-R8 PolarHBondContact O-N 3.37Å
5	Q	29.8	Very low	36.2	Very low	126 Å²	126	145.9 Å²	145.9	59%	0.589	65%	0.652	S	S	*	*	H	α-helix	trans	-67.7	-41.7	175.2	-116.3	164.1	-22.8	0	0	112.1	L7 R8 E9	Q5-L7 VanDerWaalsContact C-N 3.29Å; Q5-L7 PolarHBondContact O-N 2.98Å; Q5-R8 PolarHBondContact O-N 3.15Å; Q5-E9 PolarHBondContact O-N 3.33Å; Q5-E9 VanDerWaalsContact O-N 3.08Å
6	T	33.2	Very low	36.5	Very low	71 Å²	71	148.1 Å²	148.1	44%	0.436	65%	0.654	S	S	.	*	H	α-helix	trans	-65.3	-24.8	177.2	31.5	0	0	0	0	114.7	M2 R3 K10	M2-T6 PolarHBondContact O-OG1 3.26Å; R3-T6 PolarHBondContact O-OG1 3.35Å; T6-K10 WeakPolarHBondContact O-CB 3.11Å; T6-K10 WeakPolarHBondContact O-CG 3.32Å; T6-K10 PolarHBondContact O-N 3.25Å
7	L	36.7	Very low	36.4	Very low	113 Å²	113	147.5 Å²	147.5	59%	0.592	65%	0.647	S	S	*	*	H	α-helix	trans	-80.6	-37.1	175.1	-84.7	159.6	0	0	0	111.9	V4 Q5 K10 W11	V4-L7 PolarHBondContact O-N 3.04Å; Q5-L7 VanDerWaalsContact C-N 3.29Å; Q5-L7 PolarHBondContact O-N 2.98Å; L7-K10 PolarHBondContact O-N 3.33Å; L7-W11 WeakPolarHBondContact O-CB 3.44Å; L7-W11 PolarHBondContact O-N 3.06Å
8	R	37	Very low	36.6	Very low	196 Å²	196	145.8 Å²	145.8	74%	0.74	64%	0.641	S	S	*	*	H	α-helix	trans	-65.7	-38	173.5	-81.3	-176	168.9	-176.5	-2.9	112.5	V4 Q5 W11 A12	V4-R8 PolarHBondContact O-N 3.37Å; Q5-R8 PolarHBondContact O-N 3.15Å; R8-W11 PolarHBondContact O-N 2.98Å; R8-A12 PolarHBondContact O-N 3.3Å
9	E	35.3	Very low	36.7	Very low	133 Å²	133	145.1 Å²	145.1	62%	0.621	64%	0.644	S	S	*	*	H	α-helix	trans	-71.7	-37.5	177.2	-72.7	175.3	170.9	0	0	112.6	Q5 A12 Y13	Q5-E9 PolarHBondContact O-N 3.33Å; Q5-E9 VanDerWaalsContact O-N 3.08Å; E9-A12 PolarHBondContact O-N 2.86Å; E9-Y13 PolarHBondContact O-N 3.46Å; E9-Y13 VanDerWaalsContact O-N 3.08Å
10	K	35.9	Very low	36.4	Very low	143 Å²	143	142 Å²	142	62%	0.622	64%	0.64	S	S	*	*	H	α-helix	trans	-65.7	-38.1	170.8	-76.9	-178.1	178.3	-174.5	0	112	T6 L7 Y13 W14	T6-K10 WeakPolarHBondContact O-CB 3.11Å; T6-K10 WeakPolarHBondContact O-CG 3.32Å; T6-K10 PolarHBondContact O-N 3.25Å; L7-K10 PolarHBondContact O-N 3.33Å; K10-Y13 PolarHBondContact O-N 3.42Å; K10-W14 VanDerWaalsContact O-CD1 3.26Å; K10-W14 PolarHBondContact O-N 2.87Å; K10-W14 VanDerWaalsContact O-N 3.15Å
11	W	42.2	Very low	36.3	Very low	182 Å²	182	140.7 Å²	140.7	69%	0.689	64%	0.639	S	S	*	*	H	α-helix	trans	-63.3	-40.5	172.8	-101.5	58	0	0	0	113.2	L7 R8 Y13 W14 R15	L7-W11 WeakPolarHBondContact O-CB 3.44Å; L7-W11 PolarHBondContact O-N 3.06Å; R8-W11 PolarHBondContact O-N 2.98Å; W11-Y13 VanDerWaalsContact C-N 3.32Å; W11-Y13 PolarHBondContact O-N 3.47Å; W11-W14 PolarHBondContact O-N 3.45Å; W11-R15 PolarHBondContact O-N 2.71Å; W11-R15 VanDerWaalsContact O-N 3.1Å
12	A	40	Very low	36.2	Very low	42 Å²	42	137.2 Å²	137.2	35%	0.347	62%	0.617	S	S	.	*	H	α-helix	trans	-69	-28.9	176.2	0	0	0	0	0	113.2	R8 E9 R16	R8-A12 PolarHBondContact O-N 3.3Å; E9-A12 PolarHBondContact O-N 2.86Å; A12-R16 PolarHBondContact O-N 3.34Å; A12-R16 PolarHBondContact O-NE 2.72Å
13	Y	39.5	Very low	36.6	Very low	143 Å²	143	137.6 Å²	137.6	56%	0.561	62%	0.617	S	S	*	*	H	α-helix	trans	-70.2	-42.9	173.6	-179.2	-101.6	0	0	0	112	E9 K10 W11 R16 R17	E9-Y13 PolarHBondContact O-N 3.46Å; E9-Y13 VanDerWaalsContact O-N 3.08Å; K10-Y13 PolarHBondContact O-N 3.42Å; W11-Y13 VanDerWaalsContact C-N 3.32Å; W11-Y13 PolarHBondContact O-N 3.47Å; Y13-R16 PolarHBondContact O-N 2.61Å; Y13-R17 PolarHBondContact O-N 3.01Å
14	W	41.8	Very low	36.6	Very low	169 Å²	169	130.9 Å²	130.9	64%	0.64	61%	0.609	S	S	*	*	H	α-helix	trans	-68.4	-36.1	176.3	-81.4	99.7	0	0	0	113.4	K10 W11 R16 R17 Q18	K10-W14 VanDerWaalsContact O-CD1 3.26Å; K10-W14 PolarHBondContact O-N 2.87Å; K10-W14 VanDerWaalsContact O-N 3.15Å; W11-W14 PolarHBondContact O-N 3.45Å; W14-R16 PolarHBondContact O-N 2.8Å; W14-R17 PolarHBondContact O-N 3.35Å; W14-Q18 PolarHBondContact O-N 3.21Å
15	R	43.8	Very low	36.5	Very low	163 Å²	163	132.9 Å²	132.9	62%	0.615	62%	0.617	S	S	*	*	H	α-helix	trans	-60.2	-41.2	172.7	-102.3	-172.9	-172.6	-167.5	2.3	113.4	W11 R17 Q18 L19	W11-R15 PolarHBondContact O-N 2.71Å; W11-R15 VanDerWaalsContact O-N 3.1Å; R15-R17 VanDerWaalsContact C-N 3.28Å; R15-R17 PolarHBondContact O-N 3.28Å; R15-Q18 PolarHBondContact O-N 3.21Å; R15-L19 PolarHBondContact O-N 3.08Å
16	R	39.9	Very low	36.5	Very low	181 Å²	181	135.5 Å²	135.5	68%	0.683	63%	0.626	S	S	*	*	H	α-helix	trans	-66.5	-30.8	178.5	-85.7	-176.1	-83.5	-155.6	-1.4	112.6	A12 Y13 W14	A12-R16 PolarHBondContact O-N 3.34Å; A12-R16 PolarHBondContact O-NE 2.72Å; Y13-R16 PolarHBondContact O-N 2.61Å; W14-R16 PolarHBondContact O-N 2.8Å
17	R	34.5	Very low	36.3	Very low	138 Å²	138	141.6 Å²	141.6	52%	0.521	65%	0.647	S	S	.	*	H	α-helix	trans	-76.1	-30.1	177.7	-151.4	172.4	176.6	179.3	-1.2	113	Y13 W14 R15	Y13-R17 PolarHBondContact O-N 3.01Å; W14-R17 PolarHBondContact O-N 3.35Å; R15-R17 VanDerWaalsContact C-N 3.28Å; R15-R17 PolarHBondContact O-N 3.28Å
18	Q	40.7	Very low	36	Very low	118 Å²	118	143.7 Å²	143.7	55%	0.551	66%	0.659	S	S	*	*	H	α-helix	trans	-72	-34.2	173	-92.3	-166.9	-24.6	0	0	113.7	W14 R15 S20 L21 K22	W14-Q18 PolarHBondContact O-N 3.21Å; R15-Q18 PolarHBondContact O-N 3.21Å; Q18-S20 VanDerWaalsContact C-N 3.3Å; Q18-S20 PolarHBondContact O-N 3.25Å; Q18-L21 PolarHBondContact O-N 3.29Å; Q18-K22 PolarHBondContact O-N 3.5Å
19	L	38.2	Very low	35.6	Very low	132 Å²	132	141.6 Å²	141.6	69%	0.691	66%	0.661	S	S	*	*	H	α-helix	trans	-65.8	-31.8	176.2	-89.8	150.1	0	0	0	112.5	R15	R15-L19 PolarHBondContact O-N 3.08Å
20	S	31.4	Very low	35.2	Very low	82 Å²	82	144.9 Å²	144.9	57%	0.573	67%	0.673	S	S	*	*	H	α-helix	trans	-80	-19.8	177.1	101.3	0	0	0	0	113.9	Q18	Q18-S20 VanDerWaalsContact C-N 3.3Å; Q18-S20 PolarHBondContact O-N 3.25Å
21	L	33.6	Very low	34.9	Very low	116 Å²	116	147.6 Å²	147.6	61%	0.607	69%	0.685	S	S	*	*	H	α-helix	trans	-87.3	-27.9	177.3	-77.4	160.7	0	0	0	112.4	Q18 Q23 A24	Q18-L21 PolarHBondContact O-N 3.29Å; L21-Q23 VanDerWaalsContact C-N 3.29Å; L21-Q23 PolarHBondContact O-N 3.08Å; L21-A24 PolarHBondContact O-N 3.38Å
22	K	36.3	Very low	34.3	Very low	145 Å²	145	149.1 Å²	149.1	63%	0.63	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-11.4	176.7	-79	-171.6	174.7	-175.1	0	115.1	Q18 A24	Q18-K22 PolarHBondContact O-N 3.5Å; K22-A24 VanDerWaalsContact C-N 3.34Å
23	Q	32.5	Very low	33.6	Very low	178 Å²	178	152.4 Å²	152.4	83%	0.832	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-10.7	176.1	-110	173.3	-2.8	0	0	113.8	L21	L21-Q23 VanDerWaalsContact C-N 3.29Å; L21-Q23 PolarHBondContact O-N 3.08Å
24	A	30.8	Very low	33	Very low	81 Å²	81	152.4 Å²	152.4	67%	0.669	73%	0.732	S	S	*	*	S	Bend	trans	-93.2	-24.2	-176.6	0	0	0	0	0	114.8	L21 K22	L21-A24 PolarHBondContact O-N 3.38Å; K22-A24 VanDerWaalsContact C-N 3.34Å
25	D	33.5	Very low	32.2	Very low	138 Å²	138	150.5 Å²	150.5	74%	0.738	75%	0.745	S	S	*	*	S	Bend	trans	-112	8.9	-168.6	-77.2	-30.2	0	0	0	115.7	K27	D25-K27 PolarHBondContact O-N 3.3Å
26	F	29.5	Very low	31.4	Very low	181 Å²	181	146.4 Å²	146.4	79%	0.794	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	12.9	-173	-113.7	-85.5	0	0	0	115.9
27	K	28.5	Very low	30.6	Very low	200 Å²	200	142.8 Å²	142.8	87%	0.87	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-10	-174.2	-93.4	-174.1	176.3	-179.7	0	117.4	D25	D25-K27 PolarHBondContact O-N 3.3Å
28	D	30.4	Very low	30.2	Very low	157 Å²	157	143.2 Å²	143.2	84%	0.84	77%	0.767	S	S	*	*	S	Bend	trans	-120.8	11.7	-167.7	-86	-31.6	0	0	0	117.9
29	I	29.5	Very low	29.6	Very low	152 Å²	152	143.6 Å²	143.6	78%	0.779	78%	0.777	S	S	*	*	S	Bend	trans	-111.2	0.7	-176	-61.3	179	0	0	0	114.9
30	F	27.1	Very low	29	Very low	202 Å²	202	146.1 Å²	146.1	89%	0.886	79%	0.785	S	S	*	*			trans	-124.9	68.3	175.8	-90.1	-86.4	0	0	0	113.4
31	K	29.1	Very low	28.7	Very low	200 Å²	200	151 Å²	151	87%	0.87	80%	0.799	S	S	*	*			trans	-147	80.3	157.9	-88.5	-171.9	178.8	174.1	0	110
32	K	30.1	Very low	28.3	Very low	214 Å²	214	154.9 Å²	154.9	93%	0.93	81%	0.814	S	S	*	*			trans	170.5	84.4	148.6	-97.3	168.1	-178.7	-177.2	0	111.2
33	S	26	Very low	27.8	Very low	110 Å²	110	156 Å²	156	77%	0.769	83%	0.827	S	S	*	*			trans	-169.3	86.5	145.7	55.6	0	0	0	0	110.5
34	T	25.4	Very low	27.7	Very low	143 Å²	143	155.9 Å²	155.9	88%	0.877	83%	0.827	S	S	*	*			trans	-168.1	105.1	156.4	29.3	0	0	0	0	109.1
35	S	26.3	Very low	27.4	Very low	130 Å²	130	161 Å²	161	91%	0.909	84%	0.836	S	S	*	*			trans	148.7	123.7	156.5	64.2	0	0	0	0	106.6
36	G	25.7	Very low	27.1	Very low	77 Å²	77	162.6 Å²	162.6	79%	0.794	84%	0.841	S	S	*	*			cis	-179.2	161.3	8.7	0	0	0	0	0	106.6
37	S	24.2	Very low	27	Very low	104 Å²	104	163.6 Å²	163.6	73%	0.727	85%	0.845	S	S	*	*			trans	-64.6	159.6	-173.3	53.4	0	0	0	0	116.4
38	L	25.5	Very low	26.8	Very low	148 Å²	148	161.5 Å²	161.5	78%	0.775	84%	0.843	S	S	*	*				160.5	112.3	113.6	-80.7	164.8	0	0	0	108.5
39	V	27.4	Very low	26.6	Very low	125 Å²	125	159.3 Å²	159.3	76%	0.758	84%	0.84	S	S	*	*				61.5	110.7	108.1	-177	0	0	0	0	113.2
40	E	25.8	Very low	26.5	Very low	185 Å²	185	160.4 Å²	160.4	86%	0.864	85%	0.846	S	S	*	*			trans	-165.9	129	132	-107	168	-161.1	0	0	111.8
41	E	25.1	Very low	26.5	Very low	186 Å²	186	154.8 Å²	154.8	87%	0.869	85%	0.846	S	S	*	*			trans	-1.5	133.5	168.3	-66.5	173.5	156.8	0	0	121.6
42	E	25.9	Very low	26.3	Very low	197 Å²	197	148.7 Å²	148.7	92%	0.921	84%	0.84	S	S	*	*			trans	-72.7	131.1	159.8	-72.9	-177.2	146.9	0	0	110.1
43	D	24.7	Very low	26.7	Very low	168 Å²	168	144.5 Å²	144.5	90%	0.898	84%	0.837	S	S	*	*			trans	-134.5	130.3	154	-130.8	-9.8	0	0	0	110.1
44	Q	30.6	Very low	26.8	Very low	176 Å²	176	148.2 Å²	148.2	82%	0.822	84%	0.842	S	S	*	*			trans	-72	143.9	-176.6	-70.4	175.3	-9.8	0	0	111.1
45	H	25.9	Very low	27.3	Very low	189 Å²	189	150.2 Å²	150.2	88%	0.875	84%	0.844	S	S	*	*				-167.4	132.5	126.7	-109.5	-74.8	0	0	0	113.2
46	M	26.9	Very low	27.6	Very low	170 Å²	170	146.4 Å²	146.4	84%	0.837	83%	0.825	S	S	*	*			trans	-45.2	148	170.6	-67.7	179.2	-175.6	0	0	114.5
47	K	26.2	Very low	27.9	Very low	202 Å²	202	149.8 Å²	149.8	88%	0.878	82%	0.824	S	S	*	*				-160.3	111.8	126.8	-111	167.2	-173.3	177.7	0	113.6
48	L	24.2	Very low	28.6	Very low	157 Å²	157	147.5 Å²	147.5	82%	0.822	81%	0.809	S	S	*	*			trans	19.5	121.7	141.8	-75.1	128.6	0	0	0	119.3
49	S	27.5	Very low	29.2	Very low	110 Å²	110	143.4 Å²	143.4	77%	0.769	79%	0.792	S	S	*	*			trans	-61.1	136.1	156.5	57.9	0	0	0	0	112
50	L	26.5	Very low	30	Very low	175 Å²	175	144.5 Å²	144.5	92%	0.916	79%	0.789	S	S	*	*			trans	-127.7	130.7	151.9	-89.6	159.4	0	0	0	107.7
51	G	28.1	Very low	30.7	Very low	85 Å²	85	142.7 Å²	142.7	88%	0.876	78%	0.784	S	S	*	*			trans	-67.1	148.1	-172.3	0	0	0	0	0	113.6
52	G	23.9	Very low	31.6	Very low	72 Å²	72	142.6 Å²	142.6	74%	0.742	78%	0.784	S	S	*	*			trans	-169.6	111.2	169.2	0	0	0	0	0	107.6	E54	G52-E54 PolarHBondContact O-N 2.95Å
53	S	38.2	Very low	32.4	Very low	125 Å²	125	139.2 Å²	139.2	87%	0.874	78%	0.782	S	S	*	*			trans	-58.4	114	169.4	50.4	0	0	0	0	109.5
54	E	29.9	Very low	33.3	Very low	188 Å²	188	136.5 Å²	136.5	88%	0.879	78%	0.776	S	S	*	*			trans	-157.6	140.4	165	-114.6	171	-161.3	0	0	110.2	G52 G56	G52-E54 PolarHBondContact O-N 2.95Å; E54-G56 PolarHBondContact O-N 3.37Å; E54-G56 VanDerWaalsContact O-N 3.17Å
55	M	35.7	Very low	34.2	Very low	185 Å²	185	138 Å²	138	91%	0.911	78%	0.78	S	S	*	*			trans	-47	118.5	179.1	-74.3	-171.6	-107.5	0	0	111.3	L57	M55-L57 PolarHBondContact O-N 3.49Å
56	G	31	Very low	35.7	Very low	51 Å²	51	134.1 Å²	134.1	53%	0.526	78%	0.781	S	S	.	*			trans	-66.2	91.9	-178.1	0	0	0	0	0	113	E54 T76	E54-G56 PolarHBondContact O-N 3.37Å; E54-G56 VanDerWaalsContact O-N 3.17Å; G56-T76 PolarHBondContact O-OG1 3.37Å
57	L	33.1	Very low	37.4	Very low	147 Å²	147	128.8 Å²	128.8	77%	0.77	77%	0.769	S	S	*	*			trans	-94.3	92.9	159.2	-84.4	153.9	0	0	0	108.1	M55	M55-L57 PolarHBondContact O-N 3.49Å
58	S	37.6	Very low	39.6	Very low	57 Å²	57	125.7 Å²	125.7	40%	0.399	77%	0.77	S	S	.	*			trans	-91.9	99.2	162.1	176	0	0	0	0	107.8
59	S	39	Very low	42	Very low	62 Å²	62	123.9 Å²	123.9	43%	0.434	77%	0.765	S	S	.	*			trans	-88.4	105.2	174.8	59.2	0	0	0	0	110	L61	S59-L61 PolarHBondContact O-N 3.43Å
60	H	43.5	Very low	44.7	Very low	147 Å²	147	128.6 Å²	128.6	68%	0.681	77%	0.766	S	S	*	*			trans	-76.4	107.7	160.5	-87.2	-70.1	0	0	0	108.7	Q62	H60-Q62 PolarHBondContact O-N 3.15Å
61	L	41.6	Very low	47.5	Very low	147 Å²	147	127.1 Å²	127.1	77%	0.77	76%	0.758	S	S	*	*			trans	-70.1	107.7	168	-89.9	103.5	0	0	0	109.2	S59 S63	S59-L61 PolarHBondContact O-N 3.43Å; L61-S63 PolarHBondContact O-N 3.43Å
62	Q	44.1	Very low	50.5	Low	185 Å²	185	130.2 Å²	130.2	86%	0.864	75%	0.747	S	S	*	*			trans	-78.4	113.9	156.7	-81	-177.5	-10.5	0	0	108.2	H60 S64	H60-Q62 PolarHBondContact O-N 3.15Å; Q62-S64 PolarHBondContact O-N 3.41Å
63	S	41.9	Very low	53.6	Low	126 Å²	126	131 Å²	131	88%	0.881	74%	0.738	S	S	*	*			trans	-73.1	94.2	174.1	58.8	0	0	0	0	109.9	L61	L61-S63 PolarHBondContact O-N 3.43Å
64	S	43.8	Very low	56.2	Low	110 Å²	110	127.7 Å²	127.7	77%	0.769	72%	0.715	S	S	*	*			trans	-96.4	129.5	164	123.1	0	0	0	0	109	Q62	Q62-S64 PolarHBondContact O-N 3.41Å
65	K	50.2	Low	59.2	Low	207 Å²	207	123.4 Å²	123.4	90%	0.9	70%	0.698	S	S	*	*			trans	-60.3	131.7	-176.5	-73.9	177	174.1	177.8	0	112.3
66	A	57.1	Low	61.9	Low	109 Å²	109	117.1 Å²	117.1	90%	0.901	67%	0.67	S	S	*	*	S	Bend	trans	49.3	84.4	152.6	0	0	0	0	0	119.3
67	G	61.3	Low	64.9	Low	57 Å²	57	120.5 Å²	120.5	59%	0.588	67%	0.672	S	S	*	*			trans	-160.7	158.9	154.6	0	0	0	0	0	109.4	T69	G67-T69 PolarHBondContact O-N 3.48Å; G67-T69 VanDerWaalsContact O-N 3.15Å
68	P	72.8	Confident	67.6	Low	138 Å²	138	117.2 Å²	117.2	90%	0.896	66%	0.661	S	S	*	*	S	Bend	trans	-68.7	-8.4	-178	28.4	-34.7	0	0	0	113.8
69	T	74.4	Confident	70.2	Confident	118 Å²	118	117 Å²	117	72%	0.724	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-89.3	122	-176.8	-49.4	0	0	0	0	110.9	G67	G67-T69 PolarHBondContact O-N 3.48Å; G67-T69 VanDerWaalsContact O-N 3.15Å
70	R	85.1	Confident	72.8	Confident	210 Å²	210	118 Å²	118	79%	0.792	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-100.5	130.5	168.9	-63.8	-178	-177	178.7	0.7	109.1	F72	R70-F72 HydrophobicContact CB-CE2 3.93Å; R70-F72 HydrophobicContact CB-CZ 4.28Å
71	I	86.3	Confident	75.2	Confident	144 Å²	144	113.9 Å²	113.9	74%	0.738	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-101.5	126.5	176.3	-58.7	175.4	0	0	0	108	T73	I71-T73 HydrophobicContact CG2-CG2 4.46Å
72	F	90.2	Very high	77.7	Confident	149 Å²	149	109.1 Å²	109.1	65%	0.654	62%	0.623	S	S	*	*			trans	-111.1	135.9	174	-61.6	-90	0	0	0	109.3	R70	R70-F72 HydrophobicContact CB-CE2 3.93Å; R70-F72 HydrophobicContact CB-CZ 4.28Å
73	T	89.9	Confident	80.1	Confident	90 Å²	90	106.6 Å²	106.6	55%	0.552	61%	0.611	S	S	*	*			trans	-124.3	131.1	177.7	52.9	0	0	0	0	109.8	I71	I71-T73 HydrophobicContact CG2-CG2 4.46Å
74	S	91.5	Very high	82.7	Confident	54 Å²	54	102.3 Å²	102.3	38%	0.378	59%	0.587	S	S	.	*			trans	-95.7	132.7	172.4	169.3	0	0	0	0	110.3	T76 H77	S74-T76 PolarHBondContact OG-N 2.81Å; S74-T76 PolarHBondContact OG-OG1 3.34Å; S74-H77 PolarHBondContact OG-N 2.71Å
75	N	92.3	Very high	85.2	Confident	98 Å²	98	100.1 Å²	100.1	52%	0.524	56%	0.564	S	S	.	*	S	Bend	trans	-86.4	-12.2	175.5	60.2	-10.4	0	0	0	113.7
76	T	92.4	Very high	87.4	Confident	54 Å²	54	91.7 Å²	91.7	33%	0.331	53%	0.528	S	S	.	.	S	Bend	trans	-102.3	-18.2	-178.5	52.3	0	0	0	0	113.1	G56 S74 S78 S79 V80	G56-T76 PolarHBondContact O-OG1 3.37Å; S74-T76 PolarHBondContact OG-N 2.81Å; S74-T76 PolarHBondContact OG-OG1 3.34Å; T76-S78 VanDerWaalsContact C-N 3.34Å; T76-S78 PolarHBondContact O-N 2.86Å; T76-S79 PolarHBondContact O-N 3.47Å; T76-S79 VanDerWaalsContact O-N 3.12Å; T76-S79 PolarHBondContact O-OG 2.9Å; T76-V80 WeakPolarHBondContact O-CG2 3.35Å; T76-V80 PolarHBondContact O-N 2.9Å
77	H	94.2	Very high	89.2	Confident	122 Å²	122	91.1 Å²	91.1	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-54.7	-45.8	-173.8	-177.5	61.7	0	0	0	113	S74 S79 V80 V81	S74-H77 PolarHBondContact OG-N 2.71Å; H77-S79 PolarHBondContact O-N 2.92Å; H77-V80 PolarHBondContact O-N 3.24Å; H77-V81 VanDerWaalsContact O-CG2 3.31Å; H77-V81 WeakPolarHBondContact O-CG2 3.38Å; H77-V81 PolarHBondContact O-N 3.41Å
78	S	90.4	Very high	90.9	Very high	78 Å²	78	90.9 Å²	90.9	55%	0.545	49%	0.492	S	S	.	.	H	α-helix	trans	-60	-43.5	178.7	52.8	0	0	0	0	112.7	T76 V81 L82	T76-S78 VanDerWaalsContact C-N 3.34Å; T76-S78 PolarHBondContact O-N 2.86Å; S78-V81 PolarHBondContact O-N 2.91Å; S78-L82 WeakPolarHBondContact O-CB 3.21Å; S78-L82 PolarHBondContact O-N 2.92Å
79	S	91.6	Very high	92	Very high	53 Å²	53	86 Å²	86	37%	0.371	46%	0.456	S	S	.	.	H	α-helix	trans	-66.8	-38.2	177.5	58.2	0	0	0	0	113	T76 H77 L82 Q83	T76-S79 PolarHBondContact O-N 3.47Å; T76-S79 VanDerWaalsContact O-N 3.12Å; T76-S79 PolarHBondContact O-OG 2.9Å; H77-S79 PolarHBondContact O-N 2.92Å; S79-L82 PolarHBondContact O-N 3.2Å; S79-Q83 WeakPolarHBondContact O-CB 3.41Å; S79-Q83 VanDerWaalsContact O-CG 3.27Å; S79-Q83 WeakPolarHBondContact O-CG 3.48Å; S79-Q83 PolarHBondContact O-N 3.46Å
80	V	94.2	Very high	93	Very high	83 Å²	83	85.8 Å²	85.8	50%	0.503	45%	0.45	S	S	.	.	H	α-helix	trans	-67.7	-40.9	178.2	172.9	0	0	0	0	110.4	T76 H77 Q83 G84	T76-V80 WeakPolarHBondContact O-CG2 3.35Å; T76-V80 PolarHBondContact O-N 2.9Å; H77-V80 PolarHBondContact O-N 3.24Å; V80-Q83 PolarHBondContact O-N 3.15Å; V80-G84 PolarHBondContact O-N 3.06Å
81	V	94.4	Very high	93.5	Very high	59 Å²	59	81.1 Å²	81.1	36%	0.358	44%	0.437	S	S	.	.	H	α-helix	trans	-62.8	-46.3	175.4	171	0	0	0	0	111.1	H77 S78 G84 F85	H77-V81 VanDerWaalsContact O-CG2 3.31Å; H77-V81 WeakPolarHBondContact O-CG2 3.38Å; H77-V81 PolarHBondContact O-N 3.41Å; S78-V81 PolarHBondContact O-N 2.91Å; V81-G84 PolarHBondContact O-N 2.85Å; V81-F85 HydrophobicContact CG1-CD2 3.82Å; V81-F85 HydrophobicContact CG1-CE2 3.74Å; V81-F85 WeakPolarHBondContact O-CD2 3.47Å; V81-F85 PolarHBondContact O-N 3.12Å
82	L	94.6	Very high	93.8	Very high	47 Å²	47	76.3 Å²	76.3	25%	0.246	42%	0.423	C	S	.	.	H	α-helix	trans	-59.3	-46.3	175.8	-90.9	151.9	0	0	0	112.2	S78 S79 G84 F85 D86 M114 I155 Y156	S78-L82 WeakPolarHBondContact O-CB 3.21Å; S78-L82 PolarHBondContact O-N 2.92Å; S79-L82 PolarHBondContact O-N 3.2Å; L82-G84 VanDerWaalsContact C-N 3.31Å; L82-G84 PolarHBondContact O-N 2.86Å; L82-F85 PolarHBondContact O-N 3.04Å; L82-D86 PolarHBondContact O-N 3.37Å; L82-M114 HydrophobicContact CD2-CE 3.92Å; L82-I155 WeakPolarHBondContact CD2-O 3.29Å; L82-Y156 VanDerWaalsContact CD2-O 3.29Å; L82-Y156 WeakPolarHBondContact CD2-O 3.4Å
83	Q	94.3	Very high	94	Very high	133 Å²	133	73.3 Å²	73.3	62%	0.621	41%	0.413	S	S	*	.	H	α-helix	trans	-59.4	-41.3	175	-75.6	173	-1.6	0	0	112.2	S79 V80 D86 Q87	S79-Q83 WeakPolarHBondContact O-CB 3.41Å; S79-Q83 VanDerWaalsContact O-CG 3.27Å; S79-Q83 WeakPolarHBondContact O-CG 3.48Å; S79-Q83 PolarHBondContact O-N 3.46Å; V80-Q83 PolarHBondContact O-N 3.15Å; Q83-D86 PolarHBondContact O-N 3.38Å; Q83-Q87 PolarHBondContact O-N 3.03Å
84	G	95.9	Very high	94.2	Very high	36 Å²	36	75.7 Å²	75.7	37%	0.371	42%	0.422	S	S	.	.	H	α-helix	trans	-60.6	-45.5	174.7	0	0	0	0	0	112.5	V80 V81 L82 D86 Q87 L88	V80-G84 PolarHBondContact O-N 3.06Å; V81-G84 PolarHBondContact O-N 2.85Å; L82-G84 VanDerWaalsContact C-N 3.31Å; L82-G84 PolarHBondContact O-N 2.86Å; G84-D86 VanDerWaalsContact C-N 3.34Å; G84-D86 PolarHBondContact O-N 2.89Å; G84-Q87 PolarHBondContact O-N 3.19Å; G84-L88 WeakPolarHBondContact O-CG 3.29Å; G84-L88 PolarHBondContact O-N 3.07Å
85	F	96.2	Very high	94.4	Very high	63 Å²	63	74.8 Å²	74.8	28%	0.276	42%	0.415	S	S	.	.	H	α-helix	trans	-64.8	-36.2	175.7	-85.5	-67.6	0	0	0	113.2	V81 L82 R89 H111 M114 Y156	V81-F85 HydrophobicContact CG1-CD2 3.82Å; V81-F85 HydrophobicContact CG1-CE2 3.74Å; V81-F85 WeakPolarHBondContact O-CD2 3.47Å; V81-F85 PolarHBondContact O-N 3.12Å; L82-F85 PolarHBondContact O-N 3.04Å; F85-R89 WeakPolarHBondContact O-CB 3.38Å; F85-R89 PolarHBondContact O-N 2.97Å; F85-H111 AromaticContact CD1-ND1 3.95Å; F85-M114 HydrophobicContact CB-CE 4.44Å; F85-M114 HydrophobicContact CB-SD 4.36Å; F85-M114 HydrophobicContact CD1-CG 4.06Å; F85-M114 HydrophobicContact CD1-SD 4.22Å; F85-M114 HydrophobicContact CD2-SD 3.84Å; F85-M114 HydrophobicContact CE1-CG 4.44Å; F85-M114 HydrophobicContact CE1-SD 4.49Å; F85-M114 HydrophobicContact CE2-SD 4.14Å; F85-M114 HydrophobicContact CG-CG 4.2Å; F85-M114 HydrophobicContact CG-SD 3.89Å; F85-M114 HydrophobicContact CZ-SD 4.46Å; F85-Y156 HydrophobicContact CB-CD1 4.03Å; F85-Y156 HydrophobicContact CB-CE1 4.01Å; F85-Y156 WeakPolarHBondContact O-CE1 3.27Å
86	D	95.9	Very high	94.5	Very high	30 Å²	30	73.1 Å²	73.1	16%	0.16	41%	0.407	C	S	.	.	H	α-helix	trans	-67.2	-42.3	176.6	-164.8	40.5	0	0	0	111.3	L82 Q83 G84 R89 L90 Y156	L82-D86 PolarHBondContact O-N 3.37Å; Q83-D86 PolarHBondContact O-N 3.38Å; G84-D86 VanDerWaalsContact C-N 3.34Å; G84-D86 PolarHBondContact O-N 2.89Å; D86-R89 WeakPolarHBondContact O-CB 3.5Å; D86-R89 PolarHBondContact O-N 3.4Å; D86-R89 IonicContact OD1-CZ 3.54Å; D86-R89 VanDerWaalsContact OD1-CZ 3.32Å; D86-R89 IonicContact OD1-NE 3.32Å; D86-R89 PolarHBondContact OD1-NE 3.47Å; D86-R89 VanDerWaalsContact OD1-NE 3.1Å; D86-R89 IonicContact OD1-NH2 3.95Å; D86-R89 PolarHBondContact OD1-NH2 3.1Å; D86-L90 WeakPolarHBondContact O-CG 3.45Å; D86-L90 PolarHBondContact O-N 2.88Å; D86-Y156 HydrophobicContact CB-CD1 4.27Å; D86-Y156 WeakPolarHBondContact OD1-CB 3.49Å
87	Q	96.1	Very high	94.7	Very high	97 Å²	97	70.7 Å²	70.7	45%	0.453	39%	0.391	S	S	.	.	H	α-helix	trans	-61.3	-46.8	175	-171.6	63	29.3	0	0	111.8	Q83 G84 R89 L90 E91	Q83-Q87 PolarHBondContact O-N 3.03Å; G84-Q87 PolarHBondContact O-N 3.19Å; Q87-R89 VanDerWaalsContact C-N 3.27Å; Q87-R89 PolarHBondContact O-N 3.4Å; Q87-L90 PolarHBondContact O-N 3.31Å; Q87-E91 PolarHBondContact NE2-OE1 3.37Å; Q87-E91 WeakPolarHBondContact O-CG 3.36Å; Q87-E91 PolarHBondContact O-N 3.46Å
88	L	96.7	Very high	94.8	Very high	53 Å²	53	66.6 Å²	66.6	28%	0.277	38%	0.375	S	S	.	.	H	α-helix	trans	-57.2	-42.4	175.8	-72.2	171.9	0	0	0	111.6	G84 E91 G92 L93 L94	G84-L88 WeakPolarHBondContact O-CG 3.29Å; G84-L88 PolarHBondContact O-N 3.07Å; L88-E91 PolarHBondContact O-N 3.5Å; L88-G92 PolarHBondContact O-N 3.22Å; L88-L93 HydrophobicContact CD2-CB 3.92Å; L88-L93 HydrophobicContact CD2-CD1 4.14Å; L88-L93 PolarHBondContact O-N 3.27Å; L88-L94 HydrophobicContact CD1-CD1 4.46Å
89	R	96.1	Very high	95	Very high	35 Å²	35	62.9 Å²	62.9	13%	0.132	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-46.2	177	180	-172.2	67.7	104.6	-9.7	112	F85 D86 Q87 E91 G92 P109 D153 Y156	F85-R89 WeakPolarHBondContact O-CB 3.38Å; F85-R89 PolarHBondContact O-N 2.97Å; D86-R89 WeakPolarHBondContact O-CB 3.5Å; D86-R89 PolarHBondContact O-N 3.4Å; D86-R89 IonicContact OD1-CZ 3.54Å; D86-R89 VanDerWaalsContact OD1-CZ 3.32Å; D86-R89 IonicContact OD1-NE 3.32Å; D86-R89 PolarHBondContact OD1-NE 3.47Å; D86-R89 VanDerWaalsContact OD1-NE 3.1Å; D86-R89 IonicContact OD1-NH2 3.95Å; D86-R89 PolarHBondContact OD1-NH2 3.1Å; Q87-R89 VanDerWaalsContact C-N 3.27Å; Q87-R89 PolarHBondContact O-N 3.4Å; R89-E91 VanDerWaalsContact C-N 3.27Å; R89-E91 PolarHBondContact O-N 3.31Å; R89-G92 PolarHBondContact O-N 3.43Å; R89-P109 WeakPolarHBondContact CG-O 3.5Å; R89-D153 IonicContact NH1-OD1 3.72Å; R89-D153 IonicContact NH2-OD1 3.75Å; R89-Y156 HydrophobicContact CB-CD1 4.33Å; R89-Y156 HydrophobicContact CB-CE1 3.88Å; R89-Y156 HydrophobicContact CG-CE1 4.36Å
90	L	94.1	Very high	95.3	Very high	114 Å²	114	62.2 Å²	62.2	60%	0.597	34%	0.341	S	S	*	.	H	α-helix	trans	-63.4	-34.1	179.7	-70.7	172.3	0	0	0	112.2	D86 Q87 G92	D86-L90 WeakPolarHBondContact O-CG 3.45Å; D86-L90 PolarHBondContact O-N 2.88Å; Q87-L90 PolarHBondContact O-N 3.31Å; L90-G92 VanDerWaalsContact C-N 3.28Å
91	E	95.5	Very high	95.3	Very high	111 Å²	111	58.3 Å²	58.3	52%	0.519	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-6.7	174.2	-66.9	176	-171.2	0	0	113.2	Q87 L88 R89 L93	Q87-E91 PolarHBondContact NE2-OE1 3.37Å; Q87-E91 WeakPolarHBondContact O-CG 3.36Å; Q87-E91 PolarHBondContact O-N 3.46Å; L88-E91 PolarHBondContact O-N 3.5Å; R89-E91 VanDerWaalsContact C-N 3.27Å; R89-E91 PolarHBondContact O-N 3.31Å; E91-L93 HydrophobicContact CB-CD1 4.07Å; E91-L93 HydrophobicContact CB-CG 3.89Å; E91-L93 PolarHBondContact O-N 3.27Å; E91-L93 WeakPolarHBondContact OE2-CD1 3.17Å
92	G	93.1	Very high	95.1	Very high	44 Å²	44	56.6 Å²	56.6	45%	0.454	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	17.6	-176.7	0	0	0	0	0	113.9	L88 R89 L90	L88-G92 PolarHBondContact O-N 3.22Å; R89-G92 PolarHBondContact O-N 3.43Å; L90-G92 VanDerWaalsContact C-N 3.28Å
93	L	94.3	Very high	94.8	Very high	85 Å²	85	58.9 Å²	58.9	45%	0.445	32%	0.324	S	S	.	.			trans	-84.3	133.5	-178.5	-64.3	179.5	0	0	0	110.4	L88 E91 C95 H111	L88-L93 HydrophobicContact CD2-CB 3.92Å; L88-L93 HydrophobicContact CD2-CD1 4.14Å; L88-L93 PolarHBondContact O-N 3.27Å; E91-L93 HydrophobicContact CB-CD1 4.07Å; E91-L93 HydrophobicContact CB-CG 3.89Å; E91-L93 PolarHBondContact O-N 3.27Å; E91-L93 WeakPolarHBondContact OE2-CD1 3.17Å; L93-C95 PolarHBondContact O-N 2.9Å; L93-H111 PolarHBondContact O-NE2 2.98Å; L93-H111 VanDerWaalsContact O-NE2 3.12Å
94	L	94.4	Very high	94.8	Very high	140 Å²	140	54.6 Å²	54.6	73%	0.733	31%	0.307	S	S	*	.	S	Bend	trans	62.2	4.7	177.2	-52.9	175.3	0	0	0	115.6	L88 D96 H111	L88-L94 HydrophobicContact CD1-CD1 4.46Å; L94-D96 PolarHBondContact O-N 3.21Å; L94-H111 VanDerWaalsContact C-CD2 3.49Å; L94-H111 PolarHBondContact O-CD2 3.07Å
95	C	95.3	Very high	94.5	Very high	35 Å²	35	58.9 Å²	58.9	24%	0.236	32%	0.321	C	S	.	.			trans	-60.7	118	170.9	-68.2	0	0	0	0	110.6	L93 P109 V110	L93-C95 PolarHBondContact O-N 2.9Å; C95-P109 HydrophobicContact CB-CB 3.92Å; C95-V110 WeakPolarHBondContact CA-O 3.27Å
96	D	94.7	Very high	94.4	Very high	64 Å²	64	58.3 Å²	58.3	34%	0.342	32%	0.321	S	S	.	.			trans	-111.1	6.4	-172.5	63.1	-15.6	0	0	0	112.9	L94 V110 H111 R112	L94-D96 PolarHBondContact O-N 3.21Å; D96-V110 PolarHBondContact N-O 3.37Å; D96-H111 VanDerWaalsContact OD1-CA 3.29Å; D96-H111 WeakPolarHBondContact OD1-CA 3.36Å; D96-R112 PolarHBondContact O-NE 2.92Å; D96-R112 WeakPolarHBondContact OD1-CG 3.34Å; D96-R112 PolarHBondContact OD1-N 3.48Å; D96-R112 WeakPolarHBondContact OD2-CB 3.45Å
97	V	96	Very high	94.3	Very high	2 Å²	2	60 Å²	60	1%	0.012	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	148.4	170.4	68.6	0	0	0	0	111.2	L99 V110 R112 F126 I138	V97-L99 HydrophobicContact CG2-CD2 4.44Å; V97-V110 HydrophobicContact CG1-CG2 3.52Å; V97-V110 PolarHBondContact N-O 3.34Å; V97-V110 PolarHBondContact O-N 3.46Å; V97-V110 VanDerWaalsContact O-O 3.06Å; V97-R112 HydrophobicContact CB-CG 3.78Å; V97-R112 HydrophobicContact CG1-CG 3.55Å; V97-F126 HydrophobicContact CG1-CZ 4.36Å; V97-I138 HydrophobicContact CG2-CD1 3.63Å; V97-I138 HydrophobicContact CG2-CG1 4.1Å
98	T	96.4	Very high	94.4	Very high	37 Å²	37	56.4 Å²	56.4	23%	0.227	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.9	170.8	-59.6	0	0	0	0	109.5	A107 F108 M136 C137 I138	T98-A107 HydrophobicContact CG2-CB 3.65Å; T98-F108 WeakPolarHBondContact CA-O 3.32Å; T98-M136 PolarHBondContact N-O 3.27Å; T98-C137 WeakPolarHBondContact O-CA 3.22Å; T98-I138 PolarHBondContact O-N 3.32Å
99	L	96.3	Very high	94.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.3	173.7	-58.9	-179.6	0	0	0	109.5	V97 F108 V110 M115 F122 I138 L140 L148 I152	V97-L99 HydrophobicContact CG2-CD2 4.44Å; L99-F108 PolarHBondContact N-O 3.48Å; L99-F108 WeakPolarHBondContact O-CB 3.37Å; L99-F108 PolarHBondContact O-N 2.87Å; L99-V110 HydrophobicContact CD1-CG2 3.86Å; L99-V110 HydrophobicContact CG-CG2 3.83Å; L99-M115 HydrophobicContact CD1-CE 3.83Å; L99-F122 HydrophobicContact CD1-CE1 3.9Å; L99-F122 HydrophobicContact CD1-CZ 3.73Å; L99-F122 HydrophobicContact CD2-CE1 4.09Å; L99-I138 HydrophobicContact CD2-CB 4.14Å; L99-L140 HydrophobicContact CB-CD1 4.33Å; L99-L140 HydrophobicContact CD1-CD1 4.24Å; L99-L140 HydrophobicContact CD2-CD1 4.3Å; L99-L148 HydrophobicContact CB-CD2 4.17Å; L99-L148 HydrophobicContact CD1-CD1 4.33Å; L99-I152 HydrophobicContact CD1-CD1 4.44Å
100	M	95.9	Very high	94.4	Very high	39 Å²	39	54.9 Å²	54.9	19%	0.192	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.1	172.2	-60.8	-172.2	-54.9	0	0	109	D106 C137 I138 K139 L140	M100-D106 WeakPolarHBondContact CA-O 3.33Å; M100-C137 WeakPolarHBondContact CE-SG 3.42Å; M100-C137 PolarHBondContact SD-SG 3.28Å; M100-I138 PolarHBondContact N-O 3.47Å; M100-K139 HydrophobicContact CB-CG 4.38Å; M100-K139 HydrophobicContact CE-CB 4.09Å; M100-K139 HydrophobicContact CE-CD 4.29Å; M100-K139 HydrophobicContact CE-CG 4.43Å; M100-K139 WeakPolarHBondContact O-CA 3.37Å; M100-L140 PolarHBondContact O-N 3.38Å
101	P	94.9	Very high	94.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	167.3	175.6	35.5	-36.5	0	0	0	110.1	D103 T104 D106 F108 K139 V143 K145 L148	P101-D103 VanDerWaalsContact CB-OD1 3.31Å; P101-D103 WeakPolarHBondContact CB-OD1 3.38Å; P101-T104 VanDerWaalsContact CG-OG1 3.25Å; P101-T104 WeakPolarHBondContact CG-OG1 3.49Å; P101-D106 WeakPolarHBondContact CD-O 3.48Å; P101-D106 HydrophobicContact CG-CB 4.47Å; P101-F108 HydrophobicContact CG-CE2 4.24Å; P101-K139 WeakPolarHBondContact O-CE 3.45Å; P101-V143 WeakPolarHBondContact CB-O 3.49Å; P101-K145 HydrophobicContact CB-CB 4.38Å; P101-K145 HydrophobicContact CG-CB 4.04Å; P101-L148 HydrophobicContact CB-CD2 4.01Å
102	G	89.4	Confident	94.5	Very high	24 Å²	24	46.1 Å²	46.1	25%	0.247	28%	0.275	C	S	.	.	S	Bend	trans	-76	-27.6	-175.9	0	0	0	0	0	113.6	L140 V143	G102-L140 WeakPolarHBondContact CA-O 3.31Å; G102-L140 PolarHBondContact N-O 3.08Å; G102-L140 VanDerWaalsContact N-O 3.07Å; G102-V143 PolarHBondContact N-O 3.44Å
103	D	90.1	Very high	94.6	Very high	95 Å²	95	48.6 Å²	48.6	51%	0.508	28%	0.28	S	S	.	.	S	Bend	trans	-93.2	-23.6	-170.3	59.3	-17.6	0	0	0	114	P101 S144 K145	P101-D103 VanDerWaalsContact CB-OD1 3.31Å; P101-D103 WeakPolarHBondContact CB-OD1 3.38Å; D103-S144 WeakPolarHBondContact OD2-CA 3.25Å; D103-S144 WeakPolarHBondContact OD2-CB 3.27Å; D103-K145 PolarHBondContact OD1-N 3.1Å; D103-K145 PolarHBondContact OD2-N 3.45Å; D103-K145 VanDerWaalsContact OD2-N 3.12Å
104	T	92.5	Very high	94.7	Very high	43 Å²	43	45.4 Å²	45.4	26%	0.264	26%	0.264	S	S	.	.	S	Bend	trans	-133.8	172.7	177.2	74	0	0	0	0	111.6	P101 D106 K145	P101-T104 VanDerWaalsContact CG-OG1 3.25Å; P101-T104 WeakPolarHBondContact CG-OG1 3.49Å; T104-D106 VanDerWaalsContact CB-OD2 3.27Å; T104-D106 WeakPolarHBondContact CB-OD2 3.24Å; T104-D106 WeakPolarHBondContact OG1-CB 3.21Å; T104-D106 PolarHBondContact OG1-N 3.16Å; T104-D106 PolarHBondContact OG1-OD2 3.33Å; T104-K145 HydrophobicContact CG2-CB 4.43Å; T104-K145 HydrophobicContact CG2-CD 4.46Å
105	D	91	Very high	94.7	Very high	126 Å²	126	38.8 Å²	38.8	67%	0.674	23%	0.229	S	C	*	.			trans	-100.9	25.3	171.9	-64.3	-40.4	0	0	0	111.7	A107 K139	D105-A107 PolarHBondContact O-N 3.22Å; D105-K139 IonicContact OD1-NZ 2.71Å; D105-K139 PolarHBondContact OD1-NZ 2.85Å
106	D	93.6	Very high	94.7	Very high	51 Å²	51	38 Å²	38	27%	0.273	23%	0.225	S	C	.	.			trans	-65	130.9	173.1	-72.1	-88.7	0	0	0	110.6	M100 P101 T104 F108 K145	M100-D106 WeakPolarHBondContact CA-O 3.33Å; P101-D106 WeakPolarHBondContact CD-O 3.48Å; P101-D106 HydrophobicContact CG-CB 4.47Å; T104-D106 VanDerWaalsContact CB-OD2 3.27Å; T104-D106 WeakPolarHBondContact CB-OD2 3.24Å; T104-D106 WeakPolarHBondContact OG1-CB 3.21Å; T104-D106 PolarHBondContact OG1-N 3.16Å; T104-D106 PolarHBondContact OG1-OD2 3.33Å; D106-F108 HydrophobicContact CB-CE2 3.77Å; D106-F108 HydrophobicContact CB-CZ 4.35Å; D106-K145 WeakPolarHBondContact OD1-CE 3.31Å; D106-K145 IonicContact OD1-NZ 2.76Å; D106-K145 PolarHBondContact OD1-NZ 3.41Å; D106-K145 WeakPolarHBondContact OD2-CD 3.21Å; D106-K145 WeakPolarHBondContact OD2-CE 3.37Å; D106-K145 IonicContact OD2-NZ 2.73Å; D106-K145 PolarHBondContact OD2-NZ 2.93Å
107	A	94.5	Very high	94.7	Very high	65 Å²	65	39.2 Å²	39.2	54%	0.537	24%	0.239	S	C	.	.			trans	-95.9	128.2	179.8	0	0	0	0	0	111.3	T98 D105	T98-A107 HydrophobicContact CG2-CB 3.65Å; D105-A107 PolarHBondContact O-N 3.22Å
108	F	96.9	Very high	94.6	Very high	21 Å²	21	41.1 Å²	41.1	9%	0.092	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	95.2	174.5	-63.3	-93.8	0	0	0	110.2	T98 L99 P101 D106 V110 K145 L148 R149 I152	T98-F108 WeakPolarHBondContact CA-O 3.32Å; L99-F108 PolarHBondContact N-O 3.48Å; L99-F108 WeakPolarHBondContact O-CB 3.37Å; L99-F108 PolarHBondContact O-N 2.87Å; P101-F108 HydrophobicContact CG-CE2 4.24Å; D106-F108 HydrophobicContact CB-CE2 3.77Å; D106-F108 HydrophobicContact CB-CZ 4.35Å; F108-V110 PolarHBondContact O-N 3.34Å; F108-K145 HydrophobicContact CE2-CG 4.41Å; F108-K145 HydrophobicContact CZ-CG 4.09Å; F108-L148 HydrophobicContact CD2-CD2 3.93Å; F108-L148 HydrophobicContact CE2-CD2 4.29Å; F108-R149 HydrophobicContact CE1-CB 3.94Å; F108-R149 HydrophobicContact CE1-CG 4.22Å; F108-R149 HydrophobicContact CZ-CB 4.24Å; F108-I152 HydrophobicContact CB-CD1 3.65Å; F108-I152 HydrophobicContact CD1-CD1 4.12Å; F108-I152 HydrophobicContact CG-CD1 4Å
109	P	96.8	Very high	94.6	Very high	56 Å²	56	39.4 Å²	39.4	36%	0.364	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	129.4	172.6	-19.2	32.2	0	0	0	110.6	R89 C95	R89-P109 WeakPolarHBondContact CG-O 3.5Å; C95-P109 HydrophobicContact CB-CB 3.92Å
110	V	97.3	Very high	94.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	172.3	-179.6	-60.4	0	0	0	0	111.3	C95 D96 V97 L99 F108 M115 I152 Y156	C95-V110 WeakPolarHBondContact CA-O 3.27Å; D96-V110 PolarHBondContact N-O 3.37Å; V97-V110 HydrophobicContact CG1-CG2 3.52Å; V97-V110 PolarHBondContact N-O 3.34Å; V97-V110 PolarHBondContact O-N 3.46Å; V97-V110 VanDerWaalsContact O-O 3.06Å; L99-V110 HydrophobicContact CD1-CG2 3.86Å; L99-V110 HydrophobicContact CG-CG2 3.83Å; F108-V110 PolarHBondContact O-N 3.34Å; V110-M115 HydrophobicContact CB-CG 4.21Å; V110-M115 HydrophobicContact CB-SD 4.28Å; V110-M115 HydrophobicContact CG1-SD 4.37Å; V110-M115 HydrophobicContact CG2-CG 3.77Å; V110-M115 HydrophobicContact CG2-SD 4.28Å; V110-I152 HydrophobicContact CG1-CD1 3.86Å; V110-I152 HydrophobicContact CG1-CG1 4.18Å; V110-I152 HydrophobicContact CG1-CG2 3.87Å; V110-Y156 HydrophobicContact CG1-CE2 4.44Å
111	H	96.8	Very high	94.4	Very high	8 Å²	8	45.3 Å²	45.3	4%	0.037	27%	0.272	C	S	.	.			trans	-99	123	175.2	-56	113.8	0	0	0	110	F85 L93 L94 D96 V113 M114 M115 Y156	F85-H111 AromaticContact CD1-ND1 3.95Å; L93-H111 PolarHBondContact O-NE2 2.98Å; L93-H111 VanDerWaalsContact O-NE2 3.12Å; L94-H111 VanDerWaalsContact C-CD2 3.49Å; L94-H111 PolarHBondContact O-CD2 3.07Å; D96-H111 VanDerWaalsContact OD1-CA 3.29Å; D96-H111 WeakPolarHBondContact OD1-CA 3.36Å; H111-V113 HydrophobicContact CB-CG1 4.27Å; H111-V113 PolarHBondContact O-N 3.23Å; H111-M114 HydrophobicContact CB-CB 4.13Å; H111-M114 HydrophobicContact CB-CG 3.98Å; H111-M114 PolarHBondContact O-N 3.36Å; H111-M115 PolarHBondContact O-N 3.32Å; H111-M115 VanDerWaalsContact O-N 3.15Å; H111-Y156 WeakPolarHBondContact CB-OH 3.47Å; H111-Y156 PolarHBondContact N-OH 3.01Å; H111-Y156 AromaticContact ND1-CE1 3.56Å; H111-Y156 AromaticContact ND1-CZ 3.67Å; H111-Y156 PolarHBondContact ND1-OH 3.02Å
112	R	94.9	Very high	94.4	Very high	34 Å²	34	45.3 Å²	45.3	13%	0.128	27%	0.272	C	S	.	.	H	α-helix	trans	-52.7	-42	177.7	-72.6	174.8	172.5	-92.1	-1.8	111.8	D96 V97 M114 M115 A116 F126 E132 Q133 L135	D96-R112 PolarHBondContact O-NE 2.92Å; D96-R112 WeakPolarHBondContact OD1-CG 3.34Å; D96-R112 PolarHBondContact OD1-N 3.48Å; D96-R112 WeakPolarHBondContact OD2-CB 3.45Å; V97-R112 HydrophobicContact CB-CG 3.78Å; V97-R112 HydrophobicContact CG1-CG 3.55Å; R112-M114 VanDerWaalsContact C-N 3.35Å; R112-M114 PolarHBondContact O-N 3.49Å; R112-M115 PolarHBondContact O-N 2.94Å; R112-A116 WeakPolarHBondContact O-CB 3.47Å; R112-A116 PolarHBondContact O-N 3.4Å; R112-F126 HydrophobicContact CB-CD2 3.71Å; R112-F126 HydrophobicContact CB-CE2 3.92Å; R112-F126 HydrophobicContact CB-CG 4.41Å; R112-F126 HydrophobicContact CG-CD2 3.93Å; R112-F126 HydrophobicContact CG-CE2 3.92Å; R112-F126 HydrophobicContact CG-CG 4.32Å; R112-F126 HydrophobicContact CG-CZ 4.31Å; R112-E132 PolarHBondContact NH2-O 2.9Å; R112-Q133 PolarHBondContact NH1-O 3.34Å; R112-Q133 PolarHBondContact NH2-O 3.31Å; R112-L135 PolarHBondContact NH2-O 2.76Å
113	V	94.4	Very high	94.7	Very high	95 Å²	95	49.4 Å²	49.4	58%	0.576	28%	0.283	S	S	*	.	H	α-helix	trans	-64	-37.4	-179.3	69.8	0	0	0	0	112.7	H111 S117	H111-V113 HydrophobicContact CB-CG1 4.27Å; H111-V113 PolarHBondContact O-N 3.23Å; V113-S117 VanDerWaalsContact O-CB 3.27Å; V113-S117 WeakPolarHBondContact O-CB 3.21Å; V113-S117 PolarHBondContact O-N 2.94Å; V113-S117 PolarHBondContact O-OG 3.04Å
114	M	95.6	Very high	94.8	Very high	19 Å²	19	47.6 Å²	47.6	9%	0.094	28%	0.281	C	S	.	.	H	α-helix	trans	-70.8	-42.4	177.7	-72.8	-60.3	-64.7	0	0	111.2	L82 F85 H111 R112 S117 A118 I155 Y156	L82-M114 HydrophobicContact CD2-CE 3.92Å; F85-M114 HydrophobicContact CB-CE 4.44Å; F85-M114 HydrophobicContact CB-SD 4.36Å; F85-M114 HydrophobicContact CD1-CG 4.06Å; F85-M114 HydrophobicContact CD1-SD 4.22Å; F85-M114 HydrophobicContact CD2-SD 3.84Å; F85-M114 HydrophobicContact CE1-CG 4.44Å; F85-M114 HydrophobicContact CE1-SD 4.49Å; F85-M114 HydrophobicContact CE2-SD 4.14Å; F85-M114 HydrophobicContact CG-CG 4.2Å; F85-M114 HydrophobicContact CG-SD 3.89Å; F85-M114 HydrophobicContact CZ-SD 4.46Å; H111-M114 HydrophobicContact CB-CB 4.13Å; H111-M114 HydrophobicContact CB-CG 3.98Å; H111-M114 PolarHBondContact O-N 3.36Å; R112-M114 VanDerWaalsContact C-N 3.35Å; R112-M114 PolarHBondContact O-N 3.49Å; M114-S117 PolarHBondContact O-OG 3.35Å; M114-A118 PolarHBondContact O-N 3.02Å; M114-I155 HydrophobicContact CB-CG2 4.26Å; M114-I155 HydrophobicContact CE-CG2 4.3Å; M114-Y156 HydrophobicContact CB-CE1 4.41Å; M114-Y156 HydrophobicContact CB-CE2 4.25Å; M114-Y156 HydrophobicContact CG-CE1 4.05Å
115	M	96.1	Very high	94.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-68.2	-43.1	177.9	-56.9	-56	-65.1	0	0	111.2	L99 V110 H111 R112 S117 A118 S119 F122 F126 I152 I155 Y156	L99-M115 HydrophobicContact CD1-CE 3.83Å; V110-M115 HydrophobicContact CB-CG 4.21Å; V110-M115 HydrophobicContact CB-SD 4.28Å; V110-M115 HydrophobicContact CG1-SD 4.37Å; V110-M115 HydrophobicContact CG2-CG 3.77Å; V110-M115 HydrophobicContact CG2-SD 4.28Å; H111-M115 PolarHBondContact O-N 3.32Å; H111-M115 VanDerWaalsContact O-N 3.15Å; R112-M115 PolarHBondContact O-N 2.94Å; M115-S117 PolarHBondContact O-N 3.42Å; M115-A118 PolarHBondContact O-N 3.21Å; M115-S119 VanDerWaalsContact O-CB 3.26Å; M115-S119 WeakPolarHBondContact O-CB 3.36Å; M115-S119 PolarHBondContact O-N 3Å; M115-F122 HydrophobicContact CB-CB 3.94Å; M115-F122 HydrophobicContact CB-CD1 4.47Å; M115-F122 HydrophobicContact CB-CD2 3.78Å; M115-F122 HydrophobicContact CB-CE2 4.41Å; M115-F122 HydrophobicContact CB-CG 3.82Å; M115-F122 HydrophobicContact CE-CD2 3.7Å; M115-F122 HydrophobicContact CE-CE2 3.2Å; M115-F122 HydrophobicContact CE-CZ 3.71Å; M115-F126 HydrophobicContact CB-CE2 4Å; M115-I152 HydrophobicContact CE-CG1 4.12Å; M115-I152 HydrophobicContact SD-CG1 4.44Å; M115-I155 HydrophobicContact CE-CD1 3.46Å; M115-I155 VanDerWaalsContact CE-CD1 3.46Å; M115-I155 HydrophobicContact SD-CD1 3.69Å; M115-I155 HydrophobicContact SD-CG2 4.35Å; M115-Y156 HydrophobicContact SD-CE2 4.45Å
116	A	95.1	Very high	94.9	Very high	18 Å²	18	41 Å²	41	15%	0.149	24%	0.244	C	C	.	.	H	α-helix	trans	-69.8	-27.3	179	0	0	0	0	0	113.8	R112 K123 F126	R112-A116 WeakPolarHBondContact O-CB 3.47Å; R112-A116 PolarHBondContact O-N 3.4Å; A116-K123 HydrophobicContact CB-CB 4.16Å; A116-K123 WeakPolarHBondContact O-CB 3.48Å; A116-F126 HydrophobicContact CB-CD2 4.21Å
117	S	94.4	Very high	94.7	Very high	91 Å²	91	43.4 Å²	43.4	64%	0.636	26%	0.26	S	S	*	.	H	α-helix	trans	-74.5	-31.1	175.1	67.5	0	0	0	0	112.2	V113 M114 M115	V113-S117 VanDerWaalsContact O-CB 3.27Å; V113-S117 WeakPolarHBondContact O-CB 3.21Å; V113-S117 PolarHBondContact O-N 2.94Å; V113-S117 PolarHBondContact O-OG 3.04Å; M114-S117 PolarHBondContact O-OG 3.35Å; M115-S117 PolarHBondContact O-N 3.42Å
118	A	94.3	Very high	94	Very high	41 Å²	41	42.8 Å²	42.8	34%	0.339	26%	0.26	S	S	.	.	H	α-helix	trans	-94.9	-12.8	-177.9	0	0	0	0	0	114.5	M114 M115 I155 I179	M114-A118 PolarHBondContact O-N 3.02Å; M115-A118 PolarHBondContact O-N 3.21Å; A118-I155 HydrophobicContact CB-CB 4.43Å; A118-I155 HydrophobicContact CB-CD1 4.03Å; A118-I155 HydrophobicContact CB-CG1 3.73Å; A118-I155 HydrophobicContact CB-CG2 3.99Å; A118-I179 WeakPolarHBondContact O-CD1 3.32Å
119	S	96.4	Very high	93.2	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.014	29%	0.287	C	S	.	.			trans	-142.3	122.6	-172.9	174.8	0	0	0	0	112.3	M115 Y121 F122 K123 L177	M115-S119 VanDerWaalsContact O-CB 3.26Å; M115-S119 WeakPolarHBondContact O-CB 3.36Å; M115-S119 PolarHBondContact O-N 3Å; S119-Y121 PolarHBondContact O-N 3.21Å; S119-Y121 WeakPolarHBondContact OG-CB 3.1Å; S119-Y121 PolarHBondContact OG-N 3.23Å; S119-F122 PolarHBondContact O-N 3.38Å; S119-F122 WeakPolarHBondContact OG-CD2 3.44Å; S119-F122 PolarHBondContact OG-N 3.48Å; S119-F122 VanDerWaalsContact OG-N 3.16Å; S119-K123 WeakPolarHBondContact O-CB 3.26Å; S119-K123 PolarHBondContact O-N 2.75Å; S119-L177 PolarHBondContact OG-O 2.92Å
120	D	93.8	Very high	92.4	Very high	102 Å²	102	47.2 Å²	47.2	55%	0.545	30%	0.295	S	S	.	.	H	α-helix	trans	-64.3	-29.1	171.5	-74.8	-34.9	0	0	0	112.4	A124	D120-A124 VanDerWaalsContact O-CB 3.32Å; D120-A124 WeakPolarHBondContact O-CB 3.41Å; D120-A124 PolarHBondContact O-N 3.15Å
121	Y	94.3	Very high	91.6	Very high	61 Å²	61	55 Å²	55	24%	0.239	33%	0.329	C	S	.	.	H	α-helix	trans	-63.2	-51.9	174.6	175.7	-93.8	0	0	0	111.1	S119 A124 M125 L140 F176 L177	S119-Y121 PolarHBondContact O-N 3.21Å; S119-Y121 WeakPolarHBondContact OG-CB 3.1Å; S119-Y121 PolarHBondContact OG-N 3.23Å; Y121-A124 PolarHBondContact O-N 3.02Å; Y121-M125 HydrophobicContact CD1-CE 4.24Å; Y121-M125 HydrophobicContact CE1-CE 3.26Å; Y121-M125 HydrophobicContact CE1-SD 4.49Å; Y121-M125 HydrophobicContact CE2-CE 4.45Å; Y121-M125 WeakPolarHBondContact O-CB 3.48Å; Y121-M125 PolarHBondContact O-N 3.12Å; Y121-M125 WeakPolarHBondContact OH-CE 3.4Å; Y121-L140 HydrophobicContact CE1-CD2 4.19Å; Y121-F176 HydrophobicContact CE1-CE1 4.16Å; Y121-F176 HydrophobicContact CE2-CE1 4.17Å; Y121-F176 HydrophobicContact CE2-CZ 4.45Å; Y121-F176 AromaticContact CZ-CE1 3.7Å; Y121-L177 HydrophobicContact CD1-CD2 3.6Å; Y121-L177 HydrophobicContact CE1-CD2 3.68Å; Y121-L177 HydrophobicContact CG-CD2 4.46Å
122	F	95.2	Very high	91	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-68.1	-36.3	177.4	-71.8	-60.3	0	0	0	112.1	L99 M115 S119 A124 M125 F126 L140 L177	L99-F122 HydrophobicContact CD1-CE1 3.9Å; L99-F122 HydrophobicContact CD1-CZ 3.73Å; L99-F122 HydrophobicContact CD2-CE1 4.09Å; M115-F122 HydrophobicContact CB-CB 3.94Å; M115-F122 HydrophobicContact CB-CD1 4.47Å; M115-F122 HydrophobicContact CB-CD2 3.78Å; M115-F122 HydrophobicContact CB-CE2 4.41Å; M115-F122 HydrophobicContact CB-CG 3.82Å; M115-F122 HydrophobicContact CE-CD2 3.7Å; M115-F122 HydrophobicContact CE-CE2 3.2Å; M115-F122 HydrophobicContact CE-CZ 3.71Å; S119-F122 PolarHBondContact O-N 3.38Å; S119-F122 WeakPolarHBondContact OG-CD2 3.44Å; S119-F122 PolarHBondContact OG-N 3.48Å; S119-F122 VanDerWaalsContact OG-N 3.16Å; F122-A124 PolarHBondContact O-N 2.89Å; F122-M125 HydrophobicContact CD1-SD 4.27Å; F122-M125 PolarHBondContact O-N 3.01Å; F122-F126 HydrophobicContact CB-CD2 4.25Å; F122-F126 HydrophobicContact CB-CE2 3.89Å; F122-F126 HydrophobicContact CB-CZ 4.32Å; F122-F126 HydrophobicContact CD1-CE1 4.28Å; F122-F126 HydrophobicContact CD1-CE2 4.07Å; F122-F126 AromaticContact CD1-CZ 3.66Å; F122-F126 HydrophobicContact CD1-CZ 3.66Å; F122-F126 HydrophobicContact CE1-CZ 4.4Å; F122-F126 HydrophobicContact CG-CE2 4.28Å; F122-F126 HydrophobicContact CG-CZ 4.33Å; F122-F126 WeakPolarHBondContact O-CB 3.45Å; F122-F126 WeakPolarHBondContact O-CD2 3.42Å; F122-F126 VanDerWaalsContact O-CG 3.24Å; F122-F126 WeakPolarHBondContact O-CG 3.39Å; F122-F126 PolarHBondContact O-N 2.6Å; F122-L140 HydrophobicContact CE1-CD1 4.12Å; F122-L140 HydrophobicContact CE1-CD2 4.28Å; F122-L140 HydrophobicContact CZ-CD1 3.93Å; F122-L177 HydrophobicContact CE1-CD2 4.23Å; F122-L177 HydrophobicContact CE2-CB 4.3Å; F122-L177 HydrophobicContact CE2-CD1 3.98Å; F122-L177 HydrophobicContact CE2-CD2 3.76Å; F122-L177 HydrophobicContact CE2-CG 4.23Å; F122-L177 HydrophobicContact CZ-CD1 4.06Å; F122-L177 HydrophobicContact CZ-CD2 3.52Å; F122-L177 HydrophobicContact CZ-CG 4.34Å
123	K	94.2	Very high	90.5	Very high	110 Å²	110	59.2 Å²	59.2	48%	0.478	35%	0.35	S	S	.	.	H	α-helix	trans	-57	-50.5	173.9	-170.3	174.9	178.5	179.1	0	111.2	A116 S119 F126 T127	A116-K123 HydrophobicContact CB-CB 4.16Å; A116-K123 WeakPolarHBondContact O-CB 3.48Å; S119-K123 WeakPolarHBondContact O-CB 3.26Å; S119-K123 PolarHBondContact O-N 2.75Å; K123-F126 PolarHBondContact O-N 3.33Å; K123-T127 WeakPolarHBondContact O-CB 3.43Å; K123-T127 PolarHBondContact O-N 3.35Å; K123-T127 PolarHBondContact O-OG1 2.95Å
124	A	92.4	Very high	90.1	Very high	57 Å²	57	61.2 Å²	61.2	47%	0.471	36%	0.357	S	S	.	.	H	α-helix	trans	-63.9	-41.6	176.7	0	0	0	0	0	112	D120 Y121 F122 F126 G128	D120-A124 VanDerWaalsContact O-CB 3.32Å; D120-A124 WeakPolarHBondContact O-CB 3.41Å; D120-A124 PolarHBondContact O-N 3.15Å; Y121-A124 PolarHBondContact O-N 3.02Å; F122-A124 PolarHBondContact O-N 2.89Å; A124-F126 PolarHBondContact O-N 3.42Å; A124-G128 WeakPolarHBondContact O-CA 3.35Å; A124-G128 PolarHBondContact O-N 3.42Å
125	M	92.1	Very high	89.9	Confident	16 Å²	16	63.5 Å²	63.5	8%	0.079	37%	0.369	C	S	.	.	H	α-helix	trans	-61.3	-42.2	178.3	-177.1	-177.3	-75.1	0	0	112.6	Y121 F122 E132 I138 L140	Y121-M125 HydrophobicContact CD1-CE 4.24Å; Y121-M125 HydrophobicContact CE1-CE 3.26Å; Y121-M125 HydrophobicContact CE1-SD 4.49Å; Y121-M125 HydrophobicContact CE2-CE 4.45Å; Y121-M125 WeakPolarHBondContact O-CB 3.48Å; Y121-M125 PolarHBondContact O-N 3.12Å; Y121-M125 WeakPolarHBondContact OH-CE 3.4Å; F122-M125 HydrophobicContact CD1-SD 4.27Å; F122-M125 PolarHBondContact O-N 3.01Å; M125-E132 HydrophobicContact CG-CB 3.64Å; M125-E132 HydrophobicContact CG-CG 4.33Å; M125-E132 HydrophobicContact SD-CB 4.02Å; M125-E132 HydrophobicContact SD-CG 4.37Å; M125-I138 HydrophobicContact SD-CD1 4.08Å; M125-I138 HydrophobicContact SD-CG2 4.05Å; M125-L140 HydrophobicContact CE-CD2 4.1Å
126	F	93.2	Very high	89.5	Confident	15 Å²	15	70 Å²	70	7%	0.066	40%	0.402	C	S	.	.	H	α-helix	trans	-90.1	-17.7	-173.7	-58.3	-22.8	0	0	0	114.1	V97 R112 M115 A116 F122 K123 A124 Q133 I138	V97-F126 HydrophobicContact CG1-CZ 4.36Å; R112-F126 HydrophobicContact CB-CD2 3.71Å; R112-F126 HydrophobicContact CB-CE2 3.92Å; R112-F126 HydrophobicContact CB-CG 4.41Å; R112-F126 HydrophobicContact CG-CD2 3.93Å; R112-F126 HydrophobicContact CG-CE2 3.92Å; R112-F126 HydrophobicContact CG-CG 4.32Å; R112-F126 HydrophobicContact CG-CZ 4.31Å; M115-F126 HydrophobicContact CB-CE2 4Å; A116-F126 HydrophobicContact CB-CD2 4.21Å; F122-F126 HydrophobicContact CB-CD2 4.25Å; F122-F126 HydrophobicContact CB-CE2 3.89Å; F122-F126 HydrophobicContact CB-CZ 4.32Å; F122-F126 HydrophobicContact CD1-CE1 4.28Å; F122-F126 HydrophobicContact CD1-CE2 4.07Å; F122-F126 AromaticContact CD1-CZ 3.66Å; F122-F126 HydrophobicContact CD1-CZ 3.66Å; F122-F126 HydrophobicContact CE1-CZ 4.4Å; F122-F126 HydrophobicContact CG-CE2 4.28Å; F122-F126 HydrophobicContact CG-CZ 4.33Å; F122-F126 WeakPolarHBondContact O-CB 3.45Å; F122-F126 WeakPolarHBondContact O-CD2 3.42Å; F122-F126 VanDerWaalsContact O-CG 3.24Å; F122-F126 WeakPolarHBondContact O-CG 3.39Å; F122-F126 PolarHBondContact O-N 2.6Å; K123-F126 PolarHBondContact O-N 3.33Å; A124-F126 PolarHBondContact O-N 3.42Å; F126-Q133 WeakPolarHBondContact O-CG 3.31Å; F126-I138 HydrophobicContact CD1-CD1 4.45Å; F126-I138 HydrophobicContact CE1-CD1 3.61Å; F126-I138 HydrophobicContact CZ-CD1 4.43Å
127	T	89.5	Confident	89.4	Confident	100 Å²	100	72 Å²	72	61%	0.613	41%	0.413	S	S	*	.	H	α-helix	trans	-120.1	-7.3	-177.2	67.9	0	0	0	0	113.9	K123	K123-T127 WeakPolarHBondContact O-CB 3.43Å; K123-T127 PolarHBondContact O-N 3.35Å; K123-T127 PolarHBondContact O-OG1 2.95Å
128	G	81.2	Confident	89.4	Confident	53 Å²	53	67.9 Å²	67.9	55%	0.546	39%	0.385	S	S	.	.	S	Bend	trans	-91.3	10.6	-172.3	0	0	0	0	0	116	A124 M130	A124-G128 WeakPolarHBondContact O-CA 3.35Å; A124-G128 PolarHBondContact O-N 3.42Å; G128-M130 VanDerWaalsContact C-N 3.28Å; G128-M130 PolarHBondContact O-N 3.34Å
129	G	78.4	Confident	89.4	Confident	64 Å²	64	69.4 Å²	69.4	66%	0.66	38%	0.383	S	S	*	.			trans	70.7	22.5	-178	0	0	0	0	0	114.1	Q133	G129-Q133 VanDerWaalsContact CA-OE1 3.27Å
130	M	80.9	Confident	89.2	Confident	106 Å²	106	69.4 Å²	69.4	52%	0.522	38%	0.383	S	S	.	.			trans	-76.8	155.9	175.2	-62	-71.3	-78.9	0	0	109.8	G128 E132 Q133	G128-M130 VanDerWaalsContact C-N 3.28Å; G128-M130 PolarHBondContact O-N 3.34Å; M130-E132 WeakPolarHBondContact CB-OE2 3.49Å; M130-E132 PolarHBondContact O-N 2.59Å; M130-E132 VanDerWaalsContact O-N 3.15Å; M130-Q133 WeakPolarHBondContact O-CB 3.34Å; M130-Q133 PolarHBondContact O-N 2.9Å
131	K	80.5	Confident	89	Confident	163 Å²	163	71 Å²	71	71%	0.709	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-58.3	-33.6	-178.3	-174.3	-179.7	177.7	-176.1	0	111.9	Q133 D134	K131-Q133 PolarHBondContact O-N 2.85Å; K131-D134 PolarHBondContact O-N 3.45Å
132	E	83.9	Confident	88.5	Confident	61 Å²	61	70.1 Å²	70.1	29%	0.285	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-63.8	-18.7	178.7	-65	78.3	-174.7	0	0	113.4	R112 M125 M130 D134 L135 I138	R112-E132 PolarHBondContact NH2-O 2.9Å; M125-E132 HydrophobicContact CG-CB 3.64Å; M125-E132 HydrophobicContact CG-CG 4.33Å; M125-E132 HydrophobicContact SD-CB 4.02Å; M125-E132 HydrophobicContact SD-CG 4.37Å; M130-E132 WeakPolarHBondContact CB-OE2 3.49Å; M130-E132 PolarHBondContact O-N 2.59Å; M130-E132 VanDerWaalsContact O-N 3.15Å; E132-D134 PolarHBondContact O-N 3.06Å; E132-L135 HydrophobicContact CG-CD1 4.48Å; E132-L135 PolarHBondContact O-N 2.73Å; E132-I138 HydrophobicContact CB-CD1 4.06Å; E132-I138 HydrophobicContact CB-CG1 4.39Å; E132-I138 HydrophobicContact CG-CG2 4.18Å; E132-I138 WeakPolarHBondContact O-CD1 3.33Å
133	Q	85.1	Confident	88.4	Confident	70 Å²	70	70.3 Å²	70.3	33%	0.327	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-57.1	-39.6	174.7	178.3	170.5	-25.1	0	0	111.8	R112 F126 G129 M130 K131	R112-Q133 PolarHBondContact NH1-O 3.34Å; R112-Q133 PolarHBondContact NH2-O 3.31Å; F126-Q133 WeakPolarHBondContact O-CG 3.31Å; G129-Q133 VanDerWaalsContact CA-OE1 3.27Å; M130-Q133 WeakPolarHBondContact O-CB 3.34Å; M130-Q133 PolarHBondContact O-N 2.9Å; K131-Q133 PolarHBondContact O-N 2.85Å
134	D	86.1	Confident	88.5	Confident	136 Å²	136	65.8 Å²	65.8	73%	0.727	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-98.5	-1.5	-175.9	-56.6	-45	0	0	0	113.3	K131 E132	K131-D134 PolarHBondContact O-N 3.45Å; E132-D134 PolarHBondContact O-N 3.06Å
135	L	89.9	Confident	88.7	Confident	67 Å²	67	66 Å²	66	35%	0.351	37%	0.371	S	S	.	.			trans	-86.2	127.6	-177.8	-66.3	-179.6	0	0	0	111.8	R112 E132 C137 I138	R112-L135 PolarHBondContact NH2-O 2.76Å; E132-L135 HydrophobicContact CG-CD1 4.48Å; E132-L135 PolarHBondContact O-N 2.73Å; L135-C137 VanDerWaalsContact C-N 3.28Å; L135-C137 PolarHBondContact O-N 2.96Å; L135-I138 HydrophobicContact CB-CG1 4.1Å
136	M	89.4	Confident	88.9	Confident	138 Å²	138	68.2 Å²	68.2	68%	0.68	39%	0.385	S	S	*	.	S	Bend	trans	-73.3	-20.8	172.4	-70.3	-60.1	173.1	0	0	113.4	T98	T98-M136 PolarHBondContact N-O 3.27Å
137	C	93	Very high	89	Confident	58 Å²	58	67.5 Å²	67.5	39%	0.392	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.1	-179.8	-168.6	0	0	0	0	110.2	T98 M100 L135	T98-C137 WeakPolarHBondContact O-CA 3.22Å; M100-C137 WeakPolarHBondContact CE-SG 3.42Å; M100-C137 PolarHBondContact SD-SG 3.28Å; L135-C137 VanDerWaalsContact C-N 3.28Å; L135-C137 PolarHBondContact O-N 2.96Å
138	I	93.9	Very high	89.3	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.031	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.3	-173.2	-58.1	171.1	0	0	0	109.1	V97 T98 L99 M100 M125 F126 E132 L135 L140	V97-I138 HydrophobicContact CG2-CD1 3.63Å; V97-I138 HydrophobicContact CG2-CG1 4.1Å; T98-I138 PolarHBondContact O-N 3.32Å; L99-I138 HydrophobicContact CD2-CB 4.14Å; M100-I138 PolarHBondContact N-O 3.47Å; M125-I138 HydrophobicContact SD-CD1 4.08Å; M125-I138 HydrophobicContact SD-CG2 4.05Å; F126-I138 HydrophobicContact CD1-CD1 4.45Å; F126-I138 HydrophobicContact CE1-CD1 3.61Å; F126-I138 HydrophobicContact CZ-CD1 4.43Å; E132-I138 HydrophobicContact CB-CD1 4.06Å; E132-I138 HydrophobicContact CB-CG1 4.39Å; E132-I138 HydrophobicContact CG-CG2 4.18Å; E132-I138 WeakPolarHBondContact O-CD1 3.33Å; L135-I138 HydrophobicContact CB-CG1 4.1Å; I138-L140 HydrophobicContact CG2-CD2 4.17Å
139	K	93.3	Very high	90.1	Very high	72 Å²	72	65.8 Å²	65.8	31%	0.313	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.2	175.2	-163.3	159.8	-170.3	160.6	0	110.5	M100 P101 D105 H141	M100-K139 HydrophobicContact CB-CG 4.38Å; M100-K139 HydrophobicContact CE-CB 4.09Å; M100-K139 HydrophobicContact CE-CD 4.29Å; M100-K139 HydrophobicContact CE-CG 4.43Å; M100-K139 WeakPolarHBondContact O-CA 3.37Å; P101-K139 WeakPolarHBondContact O-CE 3.45Å; D105-K139 IonicContact OD1-NZ 2.71Å; D105-K139 PolarHBondContact OD1-NZ 2.85Å; K139-H141 PolarHBondContact O-N 3.4Å
140	L	93.4	Very high	90.9	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	84.6	-178.3	-63.8	175.3	0	0	0	110.1	L99 M100 G102 Y121 F122 M125 I138 G142 V143 L148 L177	L99-L140 HydrophobicContact CB-CD1 4.33Å; L99-L140 HydrophobicContact CD1-CD1 4.24Å; L99-L140 HydrophobicContact CD2-CD1 4.3Å; M100-L140 PolarHBondContact O-N 3.38Å; G102-L140 WeakPolarHBondContact CA-O 3.31Å; G102-L140 PolarHBondContact N-O 3.08Å; G102-L140 VanDerWaalsContact N-O 3.07Å; Y121-L140 HydrophobicContact CE1-CD2 4.19Å; F122-L140 HydrophobicContact CE1-CD1 4.12Å; F122-L140 HydrophobicContact CE1-CD2 4.28Å; F122-L140 HydrophobicContact CZ-CD1 3.93Å; M125-L140 HydrophobicContact CE-CD2 4.1Å; I138-L140 HydrophobicContact CG2-CD2 4.17Å; L140-G142 PolarHBondContact O-N 3.27Å; L140-V143 HydrophobicContact CB-CB 4.3Å; L140-V143 HydrophobicContact CB-CG2 4.26Å; L140-V143 PolarHBondContact O-N 2.95Å; L140-L148 HydrophobicContact CD1-CD1 3.8Å; L140-L148 HydrophobicContact CD1-CD2 4.32Å; L140-L177 HydrophobicContact CD1-CD2 4.34Å
141	H	88.4	Confident	91.7	Very high	135 Å²	135	59.9 Å²	59.9	63%	0.625	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	124.7	174.8	-64	-64.5	0	0	0	110.8	K139 F176	K139-H141 PolarHBondContact O-N 3.4Å; H141-F176 WeakPolarHBondContact O-CZ 3.27Å
142	G	84.5	Confident	92.5	Very high	43 Å²	43	52.1 Å²	52.1	44%	0.443	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	7.6	-177.1	0	0	0	0	0	114.9	L140	L140-G142 PolarHBondContact O-N 3.27Å
143	V	93.8	Very high	93	Very high	4 Å²	4	52 Å²	52	2%	0.024	27%	0.268	C	S	.	.			trans	-122.9	126.4	171.7	-172.7	0	0	0	0	109.1	P101 G102 L140 L148 A173 F176 L177	P101-V143 WeakPolarHBondContact CB-O 3.49Å; G102-V143 PolarHBondContact N-O 3.44Å; L140-V143 HydrophobicContact CB-CB 4.3Å; L140-V143 HydrophobicContact CB-CG2 4.26Å; L140-V143 PolarHBondContact O-N 2.95Å; V143-L148 HydrophobicContact CG1-CB 3.81Å; V143-A173 HydrophobicContact CG1-CB 3.68Å; V143-F176 HydrophobicContact CG2-CB 4.29Å; V143-F176 HydrophobicContact CG2-CD1 3.38Å; V143-F176 HydrophobicContact CG2-CE1 3.86Å; V143-F176 HydrophobicContact CG2-CG 3.93Å; V143-L177 HydrophobicContact CG2-CD2 4.45Å; V143-L177 HydrophobicContact CG2-CG 4.37Å
144	S	95.6	Very high	93.6	Very high	16 Å²	16	49.9 Å²	49.9	11%	0.112	26%	0.258	C	S	.	.			trans	-76.4	159.4	177.4	70.3	0	0	0	0	112.1	D103 V146 G147 L148 D169	D103-S144 WeakPolarHBondContact OD2-CA 3.25Å; D103-S144 WeakPolarHBondContact OD2-CB 3.27Å; S144-V146 VanDerWaalsContact C-N 3.27Å; S144-V146 PolarHBondContact O-N 3.14Å; S144-G147 PolarHBondContact O-N 3.3Å; S144-G147 PolarHBondContact OG-N 2.71Å; S144-L148 WeakPolarHBondContact O-CB 3.37Å; S144-L148 PolarHBondContact O-N 3.31Å; S144-D169 WeakPolarHBondContact CB-OD1 3.38Å; S144-D169 WeakPolarHBondContact OG-CB 3.19Å; S144-D169 VanDerWaalsContact OG-CG 3.25Å; S144-D169 PolarHBondContact OG-OD1 3.43Å
145	K	96.3	Very high	94.1	Very high	62 Å²	62	43.9 Å²	43.9	27%	0.27	23%	0.226	S	C	.	.	H	α-helix	trans	-53.3	-44.1	174.4	-179.9	-170.5	-174.6	153.3	0	112.5	P101 D103 T104 D106 F108 R149	P101-K145 HydrophobicContact CB-CB 4.38Å; P101-K145 HydrophobicContact CG-CB 4.04Å; D103-K145 PolarHBondContact OD1-N 3.1Å; D103-K145 PolarHBondContact OD2-N 3.45Å; D103-K145 VanDerWaalsContact OD2-N 3.12Å; T104-K145 HydrophobicContact CG2-CB 4.43Å; T104-K145 HydrophobicContact CG2-CD 4.46Å; D106-K145 WeakPolarHBondContact OD1-CE 3.31Å; D106-K145 IonicContact OD1-NZ 2.76Å; D106-K145 PolarHBondContact OD1-NZ 3.41Å; D106-K145 WeakPolarHBondContact OD2-CD 3.21Å; D106-K145 WeakPolarHBondContact OD2-CE 3.37Å; D106-K145 IonicContact OD2-NZ 2.73Å; D106-K145 PolarHBondContact OD2-NZ 2.93Å; F108-K145 HydrophobicContact CE2-CG 4.41Å; F108-K145 HydrophobicContact CZ-CG 4.09Å; K145-R149 WeakPolarHBondContact O-CB 3.27Å; K145-R149 PolarHBondContact O-N 3.01Å
146	V	95.9	Very high	94.4	Very high	62 Å²	62	40.8 Å²	40.8	38%	0.376	21%	0.209	S	C	.	.	H	α-helix	trans	-66.5	-49.1	-177.4	178.2	0	0	0	0	110.1	S144 R149 K150 N166 D169	S144-V146 VanDerWaalsContact C-N 3.27Å; S144-V146 PolarHBondContact O-N 3.14Å; V146-R149 PolarHBondContact O-N 2.93Å; V146-K150 WeakPolarHBondContact O-CG 3.34Å; V146-K150 PolarHBondContact O-N 3.43Å; V146-K150 VanDerWaalsContact O-N 3.08Å; V146-N166 HydrophobicContact CG1-CB 4.15Å; V146-D169 HydrophobicContact CB-CB 4.06Å; V146-D169 HydrophobicContact CG1-CB 4.12Å
147	G	95.9	Very high	94.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-48.5	178.8	0	0	0	0	0	111.9	S144 R149 K150 I151 D169	S144-G147 PolarHBondContact O-N 3.3Å; S144-G147 PolarHBondContact OG-N 2.71Å; G147-R149 PolarHBondContact O-N 2.91Å; G147-K150 PolarHBondContact O-N 3.44Å; G147-I151 WeakPolarHBondContact O-CG1 3.12Å; G147-I151 PolarHBondContact O-N 2.95Å; G147-D169 WeakPolarHBondContact CA-O 3.42Å
148	L	96.8	Very high	94.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.4	-45.2	179.2	-176.6	58.1	0	0	0	111.9	L99 P101 F108 L140 V143 S144 K150 I151 I152 L177	L99-L148 HydrophobicContact CB-CD2 4.17Å; L99-L148 HydrophobicContact CD1-CD1 4.33Å; P101-L148 HydrophobicContact CB-CD2 4.01Å; F108-L148 HydrophobicContact CD2-CD2 3.93Å; F108-L148 HydrophobicContact CE2-CD2 4.29Å; L140-L148 HydrophobicContact CD1-CD1 3.8Å; L140-L148 HydrophobicContact CD1-CD2 4.32Å; V143-L148 HydrophobicContact CG1-CB 3.81Å; S144-L148 WeakPolarHBondContact O-CB 3.37Å; S144-L148 PolarHBondContact O-N 3.31Å; L148-K150 PolarHBondContact O-N 3.26Å; L148-I151 PolarHBondContact O-N 3.42Å; L148-I152 HydrophobicContact CD1-CD1 3.93Å; L148-I152 HydrophobicContact CD1-CG1 4.22Å; L148-I152 HydrophobicContact CG-CD1 3.84Å; L148-I152 WeakPolarHBondContact O-CG1 3.41Å; L148-I152 PolarHBondContact O-N 3.33Å; L148-L177 HydrophobicContact CD1-CD1 4.24Å
149	R	96.4	Very high	94.7	Very high	117 Å²	117	44.1 Å²	44.1	44%	0.442	23%	0.229	S	C	.	.	H	α-helix	trans	-58.6	-48	177	-178.3	176	-64.4	-170.6	-5.9	111.5	F108 K145 V146 G147 I151 I152 D153	F108-R149 HydrophobicContact CE1-CB 3.94Å; F108-R149 HydrophobicContact CE1-CG 4.22Å; F108-R149 HydrophobicContact CZ-CB 4.24Å; K145-R149 WeakPolarHBondContact O-CB 3.27Å; K145-R149 PolarHBondContact O-N 3.01Å; V146-R149 PolarHBondContact O-N 2.93Å; G147-R149 PolarHBondContact O-N 2.91Å; R149-I151 VanDerWaalsContact C-N 3.32Å; R149-I151 PolarHBondContact O-N 2.96Å; R149-I152 PolarHBondContact O-N 2.93Å; R149-D153 WeakPolarHBondContact CG-OD2 3.4Å; R149-D153 WeakPolarHBondContact O-CB 3.18Å; R149-D153 VanDerWaalsContact O-CG 3.22Å; R149-D153 PolarHBondContact O-N 3.27Å
150	K	97.1	Very high	94.8	Very high	45 Å²	45	42.7 Å²	42.7	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-39.9	179.3	-71.6	-73.6	-178	170	0	112.5	V146 G147 L148 F154 L160 S161 T170	V146-K150 WeakPolarHBondContact O-CG 3.34Å; V146-K150 PolarHBondContact O-N 3.43Å; V146-K150 VanDerWaalsContact O-N 3.08Å; G147-K150 PolarHBondContact O-N 3.44Å; L148-K150 PolarHBondContact O-N 3.26Å; K150-F154 VanDerWaalsContact O-CB 3.31Å; K150-F154 WeakPolarHBondContact O-CB 3.34Å; K150-F154 PolarHBondContact O-N 3.18Å; K150-L160 HydrophobicContact CB-CD1 4.26Å; K150-L160 HydrophobicContact CD-CD1 4.41Å; K150-S161 PolarHBondContact NZ-O 3.39Å; K150-T170 HydrophobicContact CB-CG2 4.24Å
151	I	97.2	Very high	94.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.1	-46.5	176.4	-65.1	-54.8	0	0	0	111.3	G147 L148 R149 F154 I155 A173 A174 L177 I179 V182	G147-I151 WeakPolarHBondContact O-CG1 3.12Å; G147-I151 PolarHBondContact O-N 2.95Å; L148-I151 PolarHBondContact O-N 3.42Å; R149-I151 VanDerWaalsContact C-N 3.32Å; R149-I151 PolarHBondContact O-N 2.96Å; I151-F154 PolarHBondContact O-N 3.04Å; I151-I155 HydrophobicContact CG2-CD1 3.82Å; I151-I155 HydrophobicContact CG2-CG1 4.45Å; I151-I155 VanDerWaalsContact O-CG1 3.29Å; I151-I155 WeakPolarHBondContact O-CG1 3.43Å; I151-I155 PolarHBondContact O-N 2.85Å; I151-A173 HydrophobicContact CG1-CB 3.74Å; I151-A174 HydrophobicContact CD1-CB 3.87Å; I151-L177 HydrophobicContact CB-CD1 4.4Å; I151-L177 HydrophobicContact CG1-CD1 4.37Å; I151-L177 HydrophobicContact CG2-CD1 4Å; I151-I179 HydrophobicContact CD1-CB 4.44Å; I151-I179 HydrophobicContact CD1-CG1 4.27Å; I151-I179 HydrophobicContact CG2-CD1 4.26Å; I151-I179 HydrophobicContact CG2-CG1 3.81Å; I151-V182 HydrophobicContact CD1-CB 4.23Å; I151-V182 HydrophobicContact CD1-CG1 3.85Å; I151-V182 HydrophobicContact CD1-CG2 4.08Å
152	I	96.5	Very high	95.1	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-50.1	178	-67.6	169.6	0	0	0	110	L99 F108 V110 M115 L148 R149 F154 I155 Y156	L99-I152 HydrophobicContact CD1-CD1 4.44Å; F108-I152 HydrophobicContact CB-CD1 3.65Å; F108-I152 HydrophobicContact CD1-CD1 4.12Å; F108-I152 HydrophobicContact CG-CD1 4Å; V110-I152 HydrophobicContact CG1-CD1 3.86Å; V110-I152 HydrophobicContact CG1-CG1 4.18Å; V110-I152 HydrophobicContact CG1-CG2 3.87Å; M115-I152 HydrophobicContact CE-CG1 4.12Å; M115-I152 HydrophobicContact SD-CG1 4.44Å; L148-I152 HydrophobicContact CD1-CD1 3.93Å; L148-I152 HydrophobicContact CD1-CG1 4.22Å; L148-I152 HydrophobicContact CG-CD1 3.84Å; L148-I152 WeakPolarHBondContact O-CG1 3.41Å; L148-I152 PolarHBondContact O-N 3.33Å; R149-I152 PolarHBondContact O-N 2.93Å; I152-F154 PolarHBondContact O-N 3.39Å; I152-I155 PolarHBondContact O-N 3.36Å; I152-I155 VanDerWaalsContact O-N 3.08Å; I152-Y156 HydrophobicContact CG2-CD2 4.04Å; I152-Y156 HydrophobicContact CG2-CE2 4.21Å; I152-Y156 WeakPolarHBondContact O-CD2 3.44Å; I152-Y156 PolarHBondContact O-N 3.31Å; I152-Y156 VanDerWaalsContact O-N 3.14Å
153	D	95.8	Very high	95.5	Very high	57 Å²	57	42.3 Å²	42.3	31%	0.305	22%	0.223	S	C	.	.	H	α-helix	trans	-57.6	-40.6	178.6	-68.2	-20	0	0	0	110.8	R89 R149 Y156 T157	R89-D153 IonicContact NH1-OD1 3.72Å; R89-D153 IonicContact NH2-OD1 3.75Å; R149-D153 WeakPolarHBondContact CG-OD2 3.4Å; R149-D153 WeakPolarHBondContact O-CB 3.18Å; R149-D153 VanDerWaalsContact O-CG 3.22Å; R149-D153 PolarHBondContact O-N 3.27Å; D153-Y156 PolarHBondContact O-N 2.65Å; D153-T157 VanDerWaalsContact O-CB 3.27Å; D153-T157 WeakPolarHBondContact O-CB 3.29Å; D153-T157 VanDerWaalsContact O-CG2 3.3Å; D153-T157 WeakPolarHBondContact O-CG2 3.35Å; D153-T157 PolarHBondContact O-N 3.26Å; D153-T157 PolarHBondContact O-OG1 2.88Å
154	F	97	Very high	95	Very high	26 Å²	26	47 Å²	47	11%	0.114	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-45.7	174.8	172.7	-104	0	0	0	112.9	K150 I151 I152 Y156 T157 A158 K159 L160 I179 P181 V182 F185	K150-F154 VanDerWaalsContact O-CB 3.31Å; K150-F154 WeakPolarHBondContact O-CB 3.34Å; K150-F154 PolarHBondContact O-N 3.18Å; I151-F154 PolarHBondContact O-N 3.04Å; I152-F154 PolarHBondContact O-N 3.39Å; F154-Y156 PolarHBondContact O-N 3.43Å; F154-T157 PolarHBondContact O-N 2.86Å; F154-A158 VanDerWaalsContact O-CA 3.23Å; F154-A158 WeakPolarHBondContact O-CA 3.21Å; F154-A158 PolarHBondContact O-N 3.02Å; F154-K159 WeakPolarHBondContact CA-O 3.17Å; F154-L160 HydrophobicContact CD2-CB 4.24Å; F154-I179 HydrophobicContact CD1-CG2 4.08Å; F154-I179 HydrophobicContact CE1-CG2 3.97Å; F154-P181 HydrophobicContact CE1-CB 4.32Å; F154-P181 HydrophobicContact CZ-CB 4.02Å; F154-V182 HydrophobicContact CB-CG2 4.26Å; F154-V182 HydrophobicContact CD1-CG2 3.28Å; F154-V182 HydrophobicContact CD2-CG2 4.25Å; F154-V182 HydrophobicContact CE1-CG2 3.6Å; F154-V182 HydrophobicContact CG-CG2 3.63Å; F154-V182 HydrophobicContact CZ-CG2 4.22Å; F154-F185 HydrophobicContact CD2-CE2 4.44Å; F154-F185 HydrophobicContact CE2-CD2 4.39Å; F154-F185 AromaticContact CE2-CE2 3.61Å; F154-F185 HydrophobicContact CE2-CE2 3.61Å; F154-F185 HydrophobicContact CZ-CE2 4Å
155	I	96.6	Very high	94.7	Very high	11 Å²	11	53 Å²	53	6%	0.056	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-35.9	-179.3	-71.4	169.3	0	0	0	111.4	L82 M114 M115 A118 I151 I152 I179	L82-I155 WeakPolarHBondContact CD2-O 3.29Å; M114-I155 HydrophobicContact CB-CG2 4.26Å; M114-I155 HydrophobicContact CE-CG2 4.3Å; M115-I155 HydrophobicContact CE-CD1 3.46Å; M115-I155 VanDerWaalsContact CE-CD1 3.46Å; M115-I155 HydrophobicContact SD-CD1 3.69Å; M115-I155 HydrophobicContact SD-CG2 4.35Å; A118-I155 HydrophobicContact CB-CB 4.43Å; A118-I155 HydrophobicContact CB-CD1 4.03Å; A118-I155 HydrophobicContact CB-CG1 3.73Å; A118-I155 HydrophobicContact CB-CG2 3.99Å; I151-I155 HydrophobicContact CG2-CD1 3.82Å; I151-I155 HydrophobicContact CG2-CG1 4.45Å; I151-I155 VanDerWaalsContact O-CG1 3.29Å; I151-I155 WeakPolarHBondContact O-CG1 3.43Å; I151-I155 PolarHBondContact O-N 2.85Å; I152-I155 PolarHBondContact O-N 3.36Å; I152-I155 VanDerWaalsContact O-N 3.08Å; I155-I179 HydrophobicContact CD1-CD1 4.2Å
156	Y	96.1	Very high	94.5	Very high	1 Å²	1	50.7 Å²	50.7	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-91.3	-25.5	-177.4	-79	-93.8	0	0	0	114.3	L82 F85 D86 R89 V110 H111 M114 M115 I152 D153 F154	L82-Y156 VanDerWaalsContact CD2-O 3.29Å; L82-Y156 WeakPolarHBondContact CD2-O 3.4Å; F85-Y156 HydrophobicContact CB-CD1 4.03Å; F85-Y156 HydrophobicContact CB-CE1 4.01Å; F85-Y156 WeakPolarHBondContact O-CE1 3.27Å; D86-Y156 HydrophobicContact CB-CD1 4.27Å; D86-Y156 WeakPolarHBondContact OD1-CB 3.49Å; R89-Y156 HydrophobicContact CB-CD1 4.33Å; R89-Y156 HydrophobicContact CB-CE1 3.88Å; R89-Y156 HydrophobicContact CG-CE1 4.36Å; V110-Y156 HydrophobicContact CG1-CE2 4.44Å; H111-Y156 WeakPolarHBondContact CB-OH 3.47Å; H111-Y156 PolarHBondContact N-OH 3.01Å; H111-Y156 AromaticContact ND1-CE1 3.56Å; H111-Y156 AromaticContact ND1-CZ 3.67Å; H111-Y156 PolarHBondContact ND1-OH 3.02Å; M114-Y156 HydrophobicContact CB-CE1 4.41Å; M114-Y156 HydrophobicContact CB-CE2 4.25Å; M114-Y156 HydrophobicContact CG-CE1 4.05Å; M115-Y156 HydrophobicContact SD-CE2 4.45Å; I152-Y156 HydrophobicContact CG2-CD2 4.04Å; I152-Y156 HydrophobicContact CG2-CE2 4.21Å; I152-Y156 WeakPolarHBondContact O-CD2 3.44Å; I152-Y156 PolarHBondContact O-N 3.31Å; I152-Y156 VanDerWaalsContact O-N 3.14Å; D153-Y156 PolarHBondContact O-N 2.65Å; F154-Y156 PolarHBondContact O-N 3.43Å
157	T	94.7	Very high	94.3	Very high	50 Å²	50	47.9 Å²	47.9	31%	0.307	25%	0.25	S	C	.	.	H	α-helix	trans	-113.1	-12.9	-174	69.9	0	0	0	0	114.3	D153 F154 K159	D153-T157 VanDerWaalsContact O-CB 3.27Å; D153-T157 WeakPolarHBondContact O-CB 3.29Å; D153-T157 VanDerWaalsContact O-CG2 3.3Å; D153-T157 WeakPolarHBondContact O-CG2 3.35Å; D153-T157 PolarHBondContact O-N 3.26Å; D153-T157 PolarHBondContact O-OG1 2.88Å; F154-T157 PolarHBondContact O-N 2.86Å; T157-K159 PolarHBondContact O-N 3.01Å; T157-K159 VanDerWaalsContact O-N 3.15Å; T157-K159 PolarHBondContact OG1-N 3.23Å
158	A	93.9	Very high	94.1	Very high	61 Å²	61	53.4 Å²	53.4	50%	0.504	28%	0.276	S	S	.	.	S	Bend	trans	55.3	18	-167.2	0	0	0	0	0	114.2	F154	F154-A158 VanDerWaalsContact O-CA 3.23Å; F154-A158 WeakPolarHBondContact O-CA 3.21Å; F154-A158 PolarHBondContact O-N 3.02Å
159	K	94.1	Very high	94	Very high	162 Å²	162	55.6 Å²	55.6	70%	0.704	29%	0.287	S	S	*	.			trans	-116	142.1	-179.8	-66.4	176.3	-176.1	178.5	0	110.6	F154 T157	F154-K159 WeakPolarHBondContact CA-O 3.17Å; T157-K159 PolarHBondContact O-N 3.01Å; T157-K159 VanDerWaalsContact O-N 3.15Å; T157-K159 PolarHBondContact OG1-N 3.23Å
160	L	95.8	Very high	94	Very high	42 Å²	42	50 Å²	50	22%	0.22	27%	0.266	C	S	.	.			trans	-135	128.9	176.2	-174.3	68.8	0	0	0	109.9	K150 F154 L162 T170 V182 F185	K150-L160 HydrophobicContact CB-CD1 4.26Å; K150-L160 HydrophobicContact CD-CD1 4.41Å; F154-L160 HydrophobicContact CD2-CB 4.24Å; L160-L162 HydrophobicContact CD1-CD2 4.48Å; L160-L162 HydrophobicContact CD2-CD1 3.89Å; L160-L162 HydrophobicContact CD2-CD2 3.89Å; L160-L162 HydrophobicContact CD2-CG 3.81Å; L160-L162 HydrophobicContact CG-CD2 4.09Å; L160-L162 HydrophobicContact CG-CG 3.97Å; L160-T170 HydrophobicContact CD1-CG2 4.11Å; L160-T170 HydrophobicContact CD2-CG2 4.5Å; L160-V182 HydrophobicContact CD2-CB 4.44Å; L160-V182 HydrophobicContact CD2-CG1 3.77Å; L160-V182 HydrophobicContact CD2-CG2 4.37Å; L160-F185 HydrophobicContact CB-CD2 4.36Å; L160-F185 HydrophobicContact CD2-CB 4.05Å; L160-F185 HydrophobicContact CD2-CD2 4.04Å
161	S	93.9	Very high	93.8	Very high	76 Å²	76	47.9 Å²	47.9	53%	0.531	26%	0.257	S	S	.	.			trans	-108.9	116.1	173	166.4	0	0	0	0	108.8	K150 N166	K150-S161 PolarHBondContact NZ-O 3.39Å; S161-N166 PolarHBondContact O-ND2 3.08Å
162	L	93.9	Very high	93.7	Very high	32 Å²	32	51.7 Å²	51.7	17%	0.168	28%	0.275	C	S	.	.			trans	-111.8	142.1	-178.9	-68	175.6	0	0	0	111.2	L160 N166 L167 T170 F185 C186 F189	L160-L162 HydrophobicContact CD1-CD2 4.48Å; L160-L162 HydrophobicContact CD2-CD1 3.89Å; L160-L162 HydrophobicContact CD2-CD2 3.89Å; L160-L162 HydrophobicContact CD2-CG 3.81Å; L160-L162 HydrophobicContact CG-CD2 4.09Å; L160-L162 HydrophobicContact CG-CG 3.97Å; L162-N166 WeakPolarHBondContact CA-OD1 3.42Å; L162-L167 HydrophobicContact CD2-CD1 4.31Å; L162-T170 HydrophobicContact CD2-CG2 3.88Å; L162-F185 HydrophobicContact CD1-CB 4.42Å; L162-C186 HydrophobicContact CD1-CB 4.48Å; L162-F189 HydrophobicContact CB-CD2 4.08Å; L162-F189 HydrophobicContact CB-CE2 4.34Å; L162-F189 HydrophobicContact CB-CG 4.18Å; L162-F189 HydrophobicContact CD1-CB 3.93Å; L162-F189 HydrophobicContact CD1-CG 4.26Å
163	N	91.4	Very high	93.6	Very high	64 Å²	64	51.7 Å²	51.7	34%	0.342	28%	0.275	S	S	.	.			trans	-149.4	173.2	166.8	63.1	24.4	0	0	0	108.9	D165 N166 L167	N163-D165 PolarHBondContact O-N 3.43Å; N163-D165 WeakPolarHBondContact OD1-CB 3.44Å; N163-D165 PolarHBondContact OD1-N 3.23Å; N163-D165 VanDerWaalsContact OD1-N 3.14Å; N163-N166 PolarHBondContact N-OD1 2.97Å; N163-N166 PolarHBondContact O-N 3.29Å; N163-N166 PolarHBondContact O-OD1 2.96Å; N163-N166 PolarHBondContact OD1-N 3.19Å; N163-N166 PolarHBondContact OD1-ND2 3.11Å; N163-N166 PolarHBondContact OD1-OD1 2.8Å; N163-L167 VanDerWaalsContact O-CB 3.24Å; N163-L167 WeakPolarHBondContact O-CB 3.39Å; N163-L167 PolarHBondContact O-N 3.4Å
164	M	84.8	Confident	93.6	Very high	103 Å²	103	49 Å²	49	51%	0.507	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.5	-178.6	-66	-61.4	-78.4	0	0	113	L167 F189	M164-L167 HydrophobicContact SD-CD2 4.4Å; M164-F189 HydrophobicContact SD-CE1 4Å
165	D	88.6	Confident	93.5	Very high	142 Å²	142	50.3 Å²	50.3	76%	0.759	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-34.7	-179	-52.6	-40.7	0	0	0	112.7	N163	N163-D165 PolarHBondContact O-N 3.43Å; N163-D165 WeakPolarHBondContact OD1-CB 3.44Å; N163-D165 PolarHBondContact OD1-N 3.23Å; N163-D165 VanDerWaalsContact OD1-N 3.14Å
166	N	92.5	Very high	93.4	Very high	13 Å²	13	53 Å²	53	7%	0.07	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-6	-176.2	69.7	34.3	0	0	0	114.2	V146 S161 L162 N163 Q168 T170	V146-N166 HydrophobicContact CG1-CB 4.15Å; S161-N166 PolarHBondContact O-ND2 3.08Å; L162-N166 WeakPolarHBondContact CA-OD1 3.42Å; N163-N166 PolarHBondContact N-OD1 2.97Å; N163-N166 PolarHBondContact O-N 3.29Å; N163-N166 PolarHBondContact O-OD1 2.96Å; N163-N166 PolarHBondContact OD1-N 3.19Å; N163-N166 PolarHBondContact OD1-ND2 3.11Å; N163-N166 PolarHBondContact OD1-OD1 2.8Å; N166-Q168 PolarHBondContact O-N 3.27Å; N166-T170 VanDerWaalsContact O-CB 3.31Å; N166-T170 WeakPolarHBondContact O-CB 3.36Å; N166-T170 PolarHBondContact O-N 3.17Å; N166-T170 PolarHBondContact O-OG1 2.71Å
167	L	92.3	Very high	93.3	Very high	2 Å²	2	53 Å²	53	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-45.3	-172.4	178.2	64.2	0	0	0	112.3	L162 N163 M164 T170 L171 C186 F189 L190	L162-L167 HydrophobicContact CD2-CD1 4.31Å; N163-L167 VanDerWaalsContact O-CB 3.24Å; N163-L167 WeakPolarHBondContact O-CB 3.39Å; N163-L167 PolarHBondContact O-N 3.4Å; M164-L167 HydrophobicContact SD-CD2 4.4Å; L167-T170 PolarHBondContact O-N 3.15Å; L167-L171 HydrophobicContact CD1-CD1 3.92Å; L167-L171 HydrophobicContact CD1-CG 4.14Å; L167-L171 HydrophobicContact CG-CD1 3.88Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.35Å; L167-L171 PolarHBondContact O-N 3.12Å; L167-C186 HydrophobicContact CD1-CB 4Å; L167-F189 HydrophobicContact CD1-CD1 4.07Å; L167-F189 HydrophobicContact CD2-CD1 3.99Å; L167-F189 HydrophobicContact CD2-CE1 4.06Å; L167-L190 HydrophobicContact CD2-CD2 3.41Å; L167-L190 VanDerWaalsContact CD2-CD2 3.41Å; L167-L190 HydrophobicContact CD2-CG 3.95Å
168	Q	91.3	Very high	93.3	Very high	117 Å²	117	54.9 Å²	54.9	55%	0.547	29%	0.29	S	S	.	.	H	α-helix	trans	-64.7	-48.8	-176.5	-175.6	171.6	-14.5	0	0	111.3	N166 T170 L171 E172	N166-Q168 PolarHBondContact O-N 3.27Å; Q168-T170 VanDerWaalsContact C-N 3.3Å; Q168-T170 PolarHBondContact O-N 2.62Å; Q168-L171 PolarHBondContact O-N 2.89Å; Q168-E172 WeakPolarHBondContact O-CB 3.31Å; Q168-E172 PolarHBondContact O-N 3.3Å
169	D	94	Very high	93.4	Very high	46 Å²	46	52 Å²	52	25%	0.246	27%	0.266	C	S	.	.	H	α-helix	trans	-57.5	-43.5	175.2	-73.4	-55.8	0	0	0	112.1	S144 V146 G147 A173	S144-D169 WeakPolarHBondContact CB-OD1 3.38Å; S144-D169 WeakPolarHBondContact OG-CB 3.19Å; S144-D169 VanDerWaalsContact OG-CG 3.25Å; S144-D169 PolarHBondContact OG-OD1 3.43Å; V146-D169 HydrophobicContact CB-CB 4.06Å; V146-D169 HydrophobicContact CG1-CB 4.12Å; G147-D169 WeakPolarHBondContact CA-O 3.42Å; D169-A173 VanDerWaalsContact O-CB 3.31Å; D169-A173 WeakPolarHBondContact O-CB 3.47Å; D169-A173 PolarHBondContact O-N 3.36Å
170	T	95.8	Very high	93.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.4	-41.8	-179.3	-54.6	0	0	0	0	111.4	K150 L160 L162 N166 L167 Q168 A174 V182	K150-T170 HydrophobicContact CB-CG2 4.24Å; L160-T170 HydrophobicContact CD1-CG2 4.11Å; L160-T170 HydrophobicContact CD2-CG2 4.5Å; L162-T170 HydrophobicContact CD2-CG2 3.88Å; N166-T170 VanDerWaalsContact O-CB 3.31Å; N166-T170 WeakPolarHBondContact O-CB 3.36Å; N166-T170 PolarHBondContact O-N 3.17Å; N166-T170 PolarHBondContact O-OG1 2.71Å; L167-T170 PolarHBondContact O-N 3.15Å; Q168-T170 VanDerWaalsContact C-N 3.3Å; Q168-T170 PolarHBondContact O-N 2.62Å; T170-A174 WeakPolarHBondContact O-CB 3.23Å; T170-A174 PolarHBondContact O-N 3.49Å; T170-V182 HydrophobicContact CG2-CG1 3.82Å
171	L	94.6	Very high	93.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-45.2	176.2	-89.3	170.1	0	0	0	112	L167 Q168 A174 S175 L183 C186 L190 I205 Y209 L211	L167-L171 HydrophobicContact CD1-CD1 3.92Å; L167-L171 HydrophobicContact CD1-CG 4.14Å; L167-L171 HydrophobicContact CG-CD1 3.88Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.35Å; L167-L171 PolarHBondContact O-N 3.12Å; Q168-L171 PolarHBondContact O-N 2.89Å; L171-A174 PolarHBondContact O-N 3.21Å; L171-S175 WeakPolarHBondContact O-CB 3.48Å; L171-S175 PolarHBondContact O-N 3.17Å; L171-L183 HydrophobicContact CD2-CD2 3.95Å; L171-C186 HydrophobicContact CD1-CB 4.37Å; L171-C186 HydrophobicContact CD2-CB 3.34Å; L171-C186 HydrophobicContact CG-CB 3.75Å; L171-L190 HydrophobicContact CD1-CD1 4.2Å; L171-I205 HydrophobicContact CD1-CG2 3.64Å; L171-Y209 HydrophobicContact CB-CD2 4.41Å; L171-Y209 HydrophobicContact CB-CE2 4.25Å; L171-Y209 HydrophobicContact CD1-CD2 4.3Å; L171-Y209 HydrophobicContact CD1-CE2 4.45Å; L171-L211 HydrophobicContact CD2-CD1 4.1Å
172	E	93.8	Very high	93.4	Very high	80 Å²	80	47.1 Å²	47.1	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-60.8	-48.4	178	-172.4	170.4	-168.4	0	0	110.5	Q168 S175 F176 Y209	Q168-E172 WeakPolarHBondContact O-CB 3.31Å; Q168-E172 PolarHBondContact O-N 3.3Å; E172-S175 PolarHBondContact O-N 3.19Å; E172-F176 VanDerWaalsContact O-CB 3.22Å; E172-F176 WeakPolarHBondContact O-CB 3.3Å; E172-F176 PolarHBondContact O-N 3.33Å; E172-Y209 HydrophobicContact CB-CE1 4.17Å
173	A	95.8	Very high	93.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-47.2	176.8	0	0	0	0	0	112.5	V143 I151 D169 S175 F176 L177	V143-A173 HydrophobicContact CG1-CB 3.68Å; I151-A173 HydrophobicContact CG1-CB 3.74Å; D169-A173 VanDerWaalsContact O-CB 3.31Å; D169-A173 WeakPolarHBondContact O-CB 3.47Å; D169-A173 PolarHBondContact O-N 3.36Å; A173-S175 VanDerWaalsContact C-N 3.34Å; A173-S175 PolarHBondContact O-N 3.01Å; A173-F176 PolarHBondContact O-N 3.05Å; A173-L177 WeakPolarHBondContact O-CB 3.34Å; A173-L177 VanDerWaalsContact O-CG 3.27Å; A173-L177 WeakPolarHBondContact O-CG 3.38Å; A173-L177 PolarHBondContact O-N 3.23Å
174	A	95.8	Very high	93.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.3	-40	179.8	0	0	0	0	0	112.2	I151 T170 L171 Q178 I179 V182 L183	I151-A174 HydrophobicContact CD1-CB 3.87Å; T170-A174 WeakPolarHBondContact O-CB 3.23Å; T170-A174 PolarHBondContact O-N 3.49Å; L171-A174 PolarHBondContact O-N 3.21Å; A174-Q178 CarbonylContact O-C 3.59Å; A174-Q178 WeakPolarHBondContact O-CA 3.28Å; A174-Q178 PolarHBondContact O-N 2.79Å; A174-I179 PolarHBondContact O-N 2.88Å; A174-V182 HydrophobicContact CB-CB 3.93Å; A174-V182 HydrophobicContact CB-CG1 3.54Å; A174-L183 HydrophobicContact CB-CD2 3.69Å; A174-L183 HydrophobicContact CB-CG 3.95Å
175	S	94	Very high	94	Very high	53 Å²	53	47 Å²	47	37%	0.371	24%	0.241	S	C	.	.	H	α-helix	trans	-67.5	-48.1	177.6	-175.4	0	0	0	0	111	L171 E172 A173 Q178	L171-S175 WeakPolarHBondContact O-CB 3.48Å; L171-S175 PolarHBondContact O-N 3.17Å; E172-S175 PolarHBondContact O-N 3.19Å; A173-S175 VanDerWaalsContact C-N 3.34Å; A173-S175 PolarHBondContact O-N 3.01Å; S175-Q178 PolarHBondContact O-N 3Å
176	F	93.8	Very high	94.4	Very high	69 Å²	69	40.2 Å²	40.2	30%	0.303	21%	0.205	S	C	.	.	H	α-helix	trans	-62.9	-45.9	179.3	-175.4	-90.1	0	0	0	112	Y121 H141 V143 E172 A173 Q178	Y121-F176 HydrophobicContact CE1-CE1 4.16Å; Y121-F176 HydrophobicContact CE2-CE1 4.17Å; Y121-F176 HydrophobicContact CE2-CZ 4.45Å; Y121-F176 AromaticContact CZ-CE1 3.7Å; H141-F176 WeakPolarHBondContact O-CZ 3.27Å; V143-F176 HydrophobicContact CG2-CB 4.29Å; V143-F176 HydrophobicContact CG2-CD1 3.38Å; V143-F176 HydrophobicContact CG2-CE1 3.86Å; V143-F176 HydrophobicContact CG2-CG 3.93Å; E172-F176 VanDerWaalsContact O-CB 3.22Å; E172-F176 WeakPolarHBondContact O-CB 3.3Å; E172-F176 PolarHBondContact O-N 3.33Å; A173-F176 PolarHBondContact O-N 3.05Å; F176-Q178 VanDerWaalsContact C-N 3.31Å; F176-Q178 PolarHBondContact O-N 2.7Å
177	L	95.2	Very high	94.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	4	-178.4	-58.3	174.4	0	0	0	113.4	S119 Y121 F122 L140 V143 L148 I151 A173 I179	S119-L177 PolarHBondContact OG-O 2.92Å; Y121-L177 HydrophobicContact CD1-CD2 3.6Å; Y121-L177 HydrophobicContact CE1-CD2 3.68Å; Y121-L177 HydrophobicContact CG-CD2 4.46Å; F122-L177 HydrophobicContact CE1-CD2 4.23Å; F122-L177 HydrophobicContact CE2-CB 4.3Å; F122-L177 HydrophobicContact CE2-CD1 3.98Å; F122-L177 HydrophobicContact CE2-CD2 3.76Å; F122-L177 HydrophobicContact CE2-CG 4.23Å; F122-L177 HydrophobicContact CZ-CD1 4.06Å; F122-L177 HydrophobicContact CZ-CD2 3.52Å; F122-L177 HydrophobicContact CZ-CG 4.34Å; L140-L177 HydrophobicContact CD1-CD2 4.34Å; V143-L177 HydrophobicContact CG2-CD2 4.45Å; V143-L177 HydrophobicContact CG2-CG 4.37Å; L148-L177 HydrophobicContact CD1-CD1 4.24Å; I151-L177 HydrophobicContact CB-CD1 4.4Å; I151-L177 HydrophobicContact CG1-CD1 4.37Å; I151-L177 HydrophobicContact CG2-CD1 4Å; A173-L177 WeakPolarHBondContact O-CB 3.34Å; A173-L177 VanDerWaalsContact O-CG 3.27Å; A173-L177 WeakPolarHBondContact O-CG 3.38Å; A173-L177 PolarHBondContact O-N 3.23Å; L177-I179 VanDerWaalsContact C-N 3.34Å; L177-I179 HydrophobicContact CB-CG1 4.11Å; L177-I179 PolarHBondContact O-N 3.2Å
178	Q	94.2	Very high	94.6	Very high	90 Å²	90	46 Å²	46	42%	0.421	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	41.2	176.7	-55.4	-177.9	20.9	0	0	114.4	A174 S175 F176 L180	A174-Q178 CarbonylContact O-C 3.59Å; A174-Q178 WeakPolarHBondContact O-CA 3.28Å; A174-Q178 PolarHBondContact O-N 2.79Å; S175-Q178 PolarHBondContact O-N 3Å; F176-Q178 VanDerWaalsContact C-N 3.31Å; F176-Q178 PolarHBondContact O-N 2.7Å; Q178-L180 PolarHBondContact O-N 3.37Å
179	I	95.6	Very high	94.8	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.224	C	C	.	.			trans	-90.3	83.7	176.3	-48.2	-65.4	0	0	0	109.2	A118 I151 F154 I155 A174 L177 V182 L183	A118-I179 WeakPolarHBondContact O-CD1 3.32Å; I151-I179 HydrophobicContact CD1-CB 4.44Å; I151-I179 HydrophobicContact CD1-CG1 4.27Å; I151-I179 HydrophobicContact CG2-CD1 4.26Å; I151-I179 HydrophobicContact CG2-CG1 3.81Å; F154-I179 HydrophobicContact CD1-CG2 4.08Å; F154-I179 HydrophobicContact CE1-CG2 3.97Å; I155-I179 HydrophobicContact CD1-CD1 4.2Å; A174-I179 PolarHBondContact O-N 2.88Å; L177-I179 VanDerWaalsContact C-N 3.34Å; L177-I179 HydrophobicContact CB-CG1 4.11Å; L177-I179 PolarHBondContact O-N 3.2Å; I179-V182 HydrophobicContact CB-CB 4.31Å; I179-V182 HydrophobicContact CB-CG2 4.33Å; I179-V182 HydrophobicContact CG2-CB 3.93Å; I179-V182 HydrophobicContact CG2-CG2 3.52Å; I179-V182 PolarHBondContact O-N 3.48Å; I179-L183 PolarHBondContact O-N 2.94Å
180	L	92.4	Very high	94.9	Very high	113 Å²	113	41.3 Å²	41.3	59%	0.592	21%	0.213	S	C	*	.	H	α-helix	trans	-56.2	-42.9	-173.9	-57.4	-179	0	0	0	114.5	Q178 V182 L183 D184	Q178-L180 PolarHBondContact O-N 3.37Å; L180-V182 VanDerWaalsContact C-N 3.28Å; L180-V182 PolarHBondContact O-N 2.72Å; L180-L183 HydrophobicContact CD2-CD1 4.19Å; L180-L183 WeakPolarHBondContact O-CB 3.4Å; L180-L183 PolarHBondContact O-N 3.27Å; L180-L183 VanDerWaalsContact O-N 3.11Å; L180-D184 PolarHBondContact O-N 3.03Å
181	P	95.5	Very high	94.9	Very high	63 Å²	63	43.6 Å²	43.6	41%	0.409	23%	0.225	S	C	.	.	H	α-helix	trans	-60.8	-35.9	179.1	-25.3	35.7	0	0	0	113.5	F154 D184 F185	F154-P181 HydrophobicContact CE1-CB 4.32Å; F154-P181 HydrophobicContact CZ-CB 4.02Å; P181-D184 PolarHBondContact O-N 3.02Å; P181-F185 VanDerWaalsContact O-CD2 3.31Å; P181-F185 WeakPolarHBondContact O-CD2 3.31Å; P181-F185 VanDerWaalsContact O-CG 3.29Å; P181-F185 WeakPolarHBondContact O-CG 3.34Å; P181-F185 PolarHBondContact O-N 2.89Å
182	V	95.7	Very high	94.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-41.2	176.5	172.9	0	0	0	0	110.5	I151 F154 L160 T170 A174 I179 L180 D184 F185 C186	I151-V182 HydrophobicContact CD1-CB 4.23Å; I151-V182 HydrophobicContact CD1-CG1 3.85Å; I151-V182 HydrophobicContact CD1-CG2 4.08Å; F154-V182 HydrophobicContact CB-CG2 4.26Å; F154-V182 HydrophobicContact CD1-CG2 3.28Å; F154-V182 HydrophobicContact CD2-CG2 4.25Å; F154-V182 HydrophobicContact CE1-CG2 3.6Å; F154-V182 HydrophobicContact CG-CG2 3.63Å; F154-V182 HydrophobicContact CZ-CG2 4.22Å; L160-V182 HydrophobicContact CD2-CB 4.44Å; L160-V182 HydrophobicContact CD2-CG1 3.77Å; L160-V182 HydrophobicContact CD2-CG2 4.37Å; T170-V182 HydrophobicContact CG2-CG1 3.82Å; A174-V182 HydrophobicContact CB-CB 3.93Å; A174-V182 HydrophobicContact CB-CG1 3.54Å; I179-V182 HydrophobicContact CB-CB 4.31Å; I179-V182 HydrophobicContact CB-CG2 4.33Å; I179-V182 HydrophobicContact CG2-CB 3.93Å; I179-V182 HydrophobicContact CG2-CG2 3.52Å; I179-V182 PolarHBondContact O-N 3.48Å; L180-V182 VanDerWaalsContact C-N 3.28Å; L180-V182 PolarHBondContact O-N 2.72Å; V182-D184 VanDerWaalsContact C-N 3.27Å; V182-D184 PolarHBondContact O-N 3.22Å; V182-F185 PolarHBondContact O-N 3.32Å; V182-C186 PolarHBondContact O-N 3Å; V182-C186 PolarHBondContact O-SG 3.01Å
183	L	94	Very high	94.8	Very high	23 Å²	23	45.8 Å²	45.8	12%	0.12	25%	0.254	C	S	.	.	H	α-helix	trans	-58.7	-42	173.3	-67.2	175.7	0	0	0	111.1	L171 A174 I179 L180 C186 K187	L171-L183 HydrophobicContact CD2-CD2 3.95Å; A174-L183 HydrophobicContact CB-CD2 3.69Å; A174-L183 HydrophobicContact CB-CG 3.95Å; I179-L183 PolarHBondContact O-N 2.94Å; L180-L183 HydrophobicContact CD2-CD1 4.19Å; L180-L183 WeakPolarHBondContact O-CB 3.4Å; L180-L183 PolarHBondContact O-N 3.27Å; L180-L183 VanDerWaalsContact O-N 3.11Å; L183-C186 PolarHBondContact O-N 3.27Å; L183-K187 WeakPolarHBondContact O-CG 3.41Å; L183-K187 PolarHBondContact O-N 2.71Å
184	D	94.8	Very high	94.7	Very high	75 Å²	75	46.5 Å²	46.5	40%	0.401	26%	0.258	S	S	.	.	H	α-helix	trans	-64.6	-41.5	177.9	-67.9	-25.6	0	0	0	112.1	L180 P181 V182 C186 K187 V188	L180-D184 PolarHBondContact O-N 3.03Å; P181-D184 PolarHBondContact O-N 3.02Å; V182-D184 VanDerWaalsContact C-N 3.27Å; V182-D184 PolarHBondContact O-N 3.22Å; D184-C186 VanDerWaalsContact C-N 3.34Å; D184-C186 PolarHBondContact O-N 2.99Å; D184-K187 WeakPolarHBondContact O-CB 3.31Å; D184-K187 PolarHBondContact O-N 3.46Å; D184-K187 IonicContact OD1-NZ 3.1Å; D184-K187 PolarHBondContact OD1-NZ 2.85Å; D184-V188 WeakPolarHBondContact O-CG2 3.43Å; D184-V188 PolarHBondContact O-N 3.44Å
185	F	95.7	Very high	94.7	Very high	98 Å²	98	49.3 Å²	49.3	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-62.2	-40.7	172.8	-60.7	-30.5	0	0	0	112.6	F154 L160 L162 P181 V182 K187 V188 F189	F154-F185 HydrophobicContact CD2-CE2 4.44Å; F154-F185 HydrophobicContact CE2-CD2 4.39Å; F154-F185 AromaticContact CE2-CE2 3.61Å; F154-F185 HydrophobicContact CE2-CE2 3.61Å; F154-F185 HydrophobicContact CZ-CE2 4Å; L160-F185 HydrophobicContact CB-CD2 4.36Å; L160-F185 HydrophobicContact CD2-CB 4.05Å; L160-F185 HydrophobicContact CD2-CD2 4.04Å; L162-F185 HydrophobicContact CD1-CB 4.42Å; P181-F185 VanDerWaalsContact O-CD2 3.31Å; P181-F185 WeakPolarHBondContact O-CD2 3.31Å; P181-F185 VanDerWaalsContact O-CG 3.29Å; P181-F185 WeakPolarHBondContact O-CG 3.34Å; P181-F185 PolarHBondContact O-N 2.89Å; V182-F185 PolarHBondContact O-N 3.32Å; F185-K187 VanDerWaalsContact C-N 3.33Å; F185-K187 PolarHBondContact O-N 3.3Å; F185-V188 PolarHBondContact O-N 3.34Å; F185-F189 WeakPolarHBondContact O-CB 3.39Å; F185-F189 PolarHBondContact O-N 3.37Å
186	C	95.1	Very high	94.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-37.7	174.9	-66.4	0	0	0	0	112.1	L162 L167 L171 V182 L183 D184 F189 L190	L162-C186 HydrophobicContact CD1-CB 4.48Å; L167-C186 HydrophobicContact CD1-CB 4Å; L171-C186 HydrophobicContact CD1-CB 4.37Å; L171-C186 HydrophobicContact CD2-CB 3.34Å; L171-C186 HydrophobicContact CG-CB 3.75Å; V182-C186 PolarHBondContact O-N 3Å; V182-C186 PolarHBondContact O-SG 3.01Å; L183-C186 PolarHBondContact O-N 3.27Å; D184-C186 VanDerWaalsContact C-N 3.34Å; D184-C186 PolarHBondContact O-N 2.99Å; C186-F189 PolarHBondContact O-N 3.26Å; C186-L190 WeakPolarHBondContact O-CB 3.29Å; C186-L190 VanDerWaalsContact O-CG 3.31Å; C186-L190 WeakPolarHBondContact O-CG 3.47Å; C186-L190 PolarHBondContact O-N 3.26Å
187	K	95.1	Very high	94.6	Very high	39 Å²	39	51.5 Å²	51.5	17%	0.17	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-47.6	173.9	-66.8	170.6	-164.3	164.7	0	111.4	L183 D184 F185 F189 L190 I191 L211 E213 V214	L183-K187 WeakPolarHBondContact O-CG 3.41Å; L183-K187 PolarHBondContact O-N 2.71Å; D184-K187 WeakPolarHBondContact O-CB 3.31Å; D184-K187 PolarHBondContact O-N 3.46Å; D184-K187 IonicContact OD1-NZ 3.1Å; D184-K187 PolarHBondContact OD1-NZ 2.85Å; F185-K187 VanDerWaalsContact C-N 3.33Å; F185-K187 PolarHBondContact O-N 3.3Å; K187-F189 VanDerWaalsContact C-N 3.34Å; K187-F189 PolarHBondContact O-N 3.4Å; K187-L190 PolarHBondContact O-N 2.94Å; K187-I191 WeakPolarHBondContact O-CB 3.29Å; K187-I191 WeakPolarHBondContact O-CG1 3.47Å; K187-I191 PolarHBondContact O-N 3.33Å; K187-L211 HydrophobicContact CG-CD2 4.24Å; K187-E213 IonicContact NZ-OE2 2.71Å; K187-V214 HydrophobicContact CB-CG2 3.81Å; K187-V214 HydrophobicContact CG-CG2 3.84Å
188	V	95.4	Very high	94.4	Very high	99 Å²	99	53 Å²	53	60%	0.6	29%	0.294	S	S	*	.	H	α-helix	trans	-59.6	-46.7	178.4	172.4	0	0	0	0	110.4	D184 F185 L190 I191 S192	D184-V188 WeakPolarHBondContact O-CG2 3.43Å; D184-V188 PolarHBondContact O-N 3.44Å; F185-V188 PolarHBondContact O-N 3.34Å; V188-L190 PolarHBondContact O-N 3.34Å; V188-I191 PolarHBondContact O-N 2.98Å; V188-S192 WeakPolarHBondContact O-CB 3.49Å; V188-S192 PolarHBondContact O-N 3.01Å; V188-S192 PolarHBondContact O-OG 3.23Å
189	F	95.1	Very high	94.4	Very high	60 Å²	60	48.8 Å²	48.8	26%	0.263	27%	0.274	S	S	.	.	H	α-helix	trans	-57.3	-50.7	176.3	-178.5	-97.9	0	0	0	111.4	L162 M164 L167 F185 C186 K187 I191 S192 G193	L162-F189 HydrophobicContact CB-CD2 4.08Å; L162-F189 HydrophobicContact CB-CE2 4.34Å; L162-F189 HydrophobicContact CB-CG 4.18Å; L162-F189 HydrophobicContact CD1-CB 3.93Å; L162-F189 HydrophobicContact CD1-CG 4.26Å; M164-F189 HydrophobicContact SD-CE1 4Å; L167-F189 HydrophobicContact CD1-CD1 4.07Å; L167-F189 HydrophobicContact CD2-CD1 3.99Å; L167-F189 HydrophobicContact CD2-CE1 4.06Å; F185-F189 WeakPolarHBondContact O-CB 3.39Å; F185-F189 PolarHBondContact O-N 3.37Å; C186-F189 PolarHBondContact O-N 3.26Å; K187-F189 VanDerWaalsContact C-N 3.34Å; K187-F189 PolarHBondContact O-N 3.4Å; F189-I191 PolarHBondContact O-N 2.65Å; F189-S192 PolarHBondContact O-N 3.33Å; F189-S192 PolarHBondContact O-OG 3.47Å; F189-G193 PolarHBondContact O-N 2.98Å
190	L	94.9	Very high	94.3	Very high	3 Å²	3	49 Å²	49	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-48.1	178.9	-78.5	174.2	0	0	0	112.6	L167 L171 C186 K187 V188 S192 G193 V194 V202 I205 L211 V214	L167-L190 HydrophobicContact CD2-CD2 3.41Å; L167-L190 VanDerWaalsContact CD2-CD2 3.41Å; L167-L190 HydrophobicContact CD2-CG 3.95Å; L171-L190 HydrophobicContact CD1-CD1 4.2Å; C186-L190 WeakPolarHBondContact O-CB 3.29Å; C186-L190 VanDerWaalsContact O-CG 3.31Å; C186-L190 WeakPolarHBondContact O-CG 3.47Å; C186-L190 PolarHBondContact O-N 3.26Å; K187-L190 PolarHBondContact O-N 2.94Å; V188-L190 PolarHBondContact O-N 3.34Å; L190-S192 PolarHBondContact O-N 2.9Å; L190-G193 PolarHBondContact O-N 2.64Å; L190-V194 WeakPolarHBondContact O-CG2 3.39Å; L190-V194 PolarHBondContact O-N 3.02Å; L190-V202 HydrophobicContact CB-CG1 4.16Å; L190-V202 HydrophobicContact CD2-CB 4.43Å; L190-V202 HydrophobicContact CD2-CG1 3.87Å; L190-V202 HydrophobicContact CD2-CG2 4.05Å; L190-V202 HydrophobicContact CG-CG1 4.48Å; L190-I205 HydrophobicContact CD1-CG2 3.95Å; L190-L211 HydrophobicContact CD1-CD1 3.82Å; L190-V214 HydrophobicContact CB-CG1 3.96Å; L190-V214 HydrophobicContact CB-CG2 4.41Å; L190-V214 HydrophobicContact CD1-CG1 4.25Å; L190-V214 HydrophobicContact CD1-CG2 4.47Å
191	I	96.1	Very high	94.2	Very high	49 Å²	49	47.2 Å²	47.2	25%	0.251	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-44.7	-179.8	-71.5	168.1	0	0	0	110.6	K187 V188 F189 G193 V214 Y217	K187-I191 WeakPolarHBondContact O-CB 3.29Å; K187-I191 WeakPolarHBondContact O-CG1 3.47Å; K187-I191 PolarHBondContact O-N 3.33Å; V188-I191 PolarHBondContact O-N 2.98Å; F189-I191 PolarHBondContact O-N 2.65Å; I191-G193 VanDerWaalsContact C-N 3.26Å; I191-G193 PolarHBondContact O-N 3.37Å; I191-V214 HydrophobicContact CD1-CG2 4.25Å; I191-V214 HydrophobicContact CG1-CB 4.48Å; I191-V214 HydrophobicContact CG1-CG1 4.46Å; I191-V214 HydrophobicContact CG1-CG2 4.11Å; I191-Y217 HydrophobicContact CB-CD1 4.38Å; I191-Y217 HydrophobicContact CG1-CD1 4.28Å; I191-Y217 HydrophobicContact CG1-CG 4.28Å; I191-Y217 HydrophobicContact CG2-CD1 3.97Å; I191-Y217 HydrophobicContact CG2-CD2 3.99Å; I191-Y217 HydrophobicContact CG2-CE1 3.95Å; I191-Y217 HydrophobicContact CG2-CE2 3.99Å; I191-Y217 HydrophobicContact CG2-CG 3.98Å; I191-Y217 WeakPolarHBondContact O-CE1 3.38Å
192	S	94.5	Very high	94.2	Very high	95 Å²	95	44.3 Å²	44.3	66%	0.664	25%	0.246	S	C	*	.	H	α-helix	trans	-68.2	-24.6	179.8	71.1	0	0	0	0	113.6	V188 F189 L190	V188-S192 WeakPolarHBondContact O-CB 3.49Å; V188-S192 PolarHBondContact O-N 3.01Å; V188-S192 PolarHBondContact O-OG 3.23Å; F189-S192 PolarHBondContact O-N 3.33Å; F189-S192 PolarHBondContact O-OG 3.47Å; L190-S192 PolarHBondContact O-N 2.9Å
193	G	92	Very high	94.1	Very high	31 Å²	31	44.4 Å²	44.4	32%	0.32	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	3.7	-176.1	0	0	0	0	0	115.3	F189 L190 I191 T195 N198	F189-G193 PolarHBondContact O-N 2.98Å; L190-G193 PolarHBondContact O-N 2.64Å; I191-G193 VanDerWaalsContact C-N 3.26Å; I191-G193 PolarHBondContact O-N 3.37Å; G193-T195 PolarHBondContact O-N 2.96Å; G193-N198 PolarHBondContact O-ND2 3.03Å; G193-N198 PolarHBondContact O-OD1 3.44Å
194	V	94.7	Very high	94	Very high	15 Å²	15	49.3 Å²	49.3	9%	0.091	26%	0.263	C	S	.	.			trans	-68.1	124.1	-179.3	-177.3	0	0	0	0	110.9	L190 N198 C199 V202 Y217 V218 F221	L190-V194 WeakPolarHBondContact O-CG2 3.39Å; L190-V194 PolarHBondContact O-N 3.02Å; V194-N198 WeakPolarHBondContact CA-OD1 3.46Å; V194-C199 HydrophobicContact CG1-CB 3.77Å; V194-V202 HydrophobicContact CG2-CG1 4.02Å; V194-Y217 HydrophobicContact CB-CE1 3.93Å; V194-Y217 HydrophobicContact CG2-CD1 3.93Å; V194-Y217 HydrophobicContact CG2-CE1 3.72Å; V194-V218 HydrophobicContact CG2-CG2 4.23Å; V194-F221 HydrophobicContact CG1-CB 4.42Å; V194-F221 HydrophobicContact CG1-CD1 3.75Å; V194-F221 HydrophobicContact CG1-CD2 4.05Å; V194-F221 HydrophobicContact CG1-CE1 3.96Å; V194-F221 HydrophobicContact CG1-CE2 4.24Å; V194-F221 HydrophobicContact CG1-CG 3.81Å; V194-F221 HydrophobicContact CG1-CZ 4.21Å
195	T	94.6	Very high	93.9	Very high	60 Å²	60	46.5 Å²	46.5	37%	0.368	25%	0.249	S	C	.	.			trans	-127.8	172	174.6	69.8	0	0	0	0	110.7	G193 D197 N198 C199	G193-T195 PolarHBondContact O-N 2.96Å; T195-D197 PolarHBondContact O-N 3.48Å; T195-D197 PolarHBondContact OG1-N 2.9Å; T195-N198 PolarHBondContact N-OD1 3.5Å; T195-N198 PolarHBondContact O-N 3.45Å; T195-N198 PolarHBondContact O-OD1 2.94Å; T195-N198 VanDerWaalsContact OG1-CG 3.32Å; T195-N198 PolarHBondContact OG1-N 3.23Å; T195-N198 PolarHBondContact OG1-OD1 3.16Å; T195-C199 WeakPolarHBondContact O-CB 3.31Å; T195-C199 PolarHBondContact O-N 3.22Å
196	L	93.6	Very high	93.7	Very high	51 Å²	51	41.9 Å²	41.9	27%	0.267	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-37.2	174.6	-67.9	174.9	0	0	0	111.9	C199 F221 N225 A228 L229	L196-C199 PolarHBondContact O-SG 2.91Å; L196-F221 HydrophobicContact CD2-CE1 4.15Å; L196-F221 HydrophobicContact CD2-CZ 4.22Å; L196-N225 HydrophobicContact CD2-CB 3.7Å; L196-A228 HydrophobicContact CD1-CB 4Å; L196-A228 HydrophobicContact CD2-CB 4.09Å; L196-L229 HydrophobicContact CB-CD2 4.43Å; L196-L229 HydrophobicContact CD2-CD2 4.06Å; L196-L229 HydrophobicContact CD2-CG 4.19Å; L196-L229 WeakPolarHBondContact O-CD2 3.33Å
197	D	91.6	Very high	93.6	Very high	116 Å²	116	47 Å²	47	62%	0.62	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-27.4	-174.2	-50.5	-59.7	0	0	0	113.4	T195	T195-D197 PolarHBondContact O-N 3.48Å; T195-D197 PolarHBondContact OG1-N 2.9Å
198	N	92.1	Very high	93.4	Very high	33 Å²	33	49.4 Å²	49.4	18%	0.176	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-7.3	-174.7	75.7	15.6	0	0	0	114.5	G193 V194 T195 V200 E201 V202	G193-N198 PolarHBondContact O-ND2 3.03Å; G193-N198 PolarHBondContact O-OD1 3.44Å; V194-N198 WeakPolarHBondContact CA-OD1 3.46Å; T195-N198 PolarHBondContact N-OD1 3.5Å; T195-N198 PolarHBondContact O-N 3.45Å; T195-N198 PolarHBondContact O-OD1 2.94Å; T195-N198 VanDerWaalsContact OG1-CG 3.32Å; T195-N198 PolarHBondContact OG1-N 3.23Å; T195-N198 PolarHBondContact OG1-OD1 3.16Å; N198-V200 PolarHBondContact O-N 3.48Å; N198-V200 VanDerWaalsContact O-N 3.13Å; N198-E201 PolarHBondContact O-N 3.3Å; N198-V202 HydrophobicContact CB-CG2 4.48Å; N198-V202 WeakPolarHBondContact O-CG2 3.47Å; N198-V202 PolarHBondContact O-N 3.48Å
199	C	94.5	Very high	93.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.8	-33.8	-172.9	63.4	0	0	0	0	113.6	V194 T195 L196 G203 V218 F221	V194-C199 HydrophobicContact CG1-CB 3.77Å; T195-C199 WeakPolarHBondContact O-CB 3.31Å; T195-C199 PolarHBondContact O-N 3.22Å; L196-C199 PolarHBondContact O-SG 2.91Å; C199-G203 PolarHBondContact O-N 2.93Å; C199-V218 HydrophobicContact CB-CG1 4.34Å; C199-V218 VanDerWaalsContact O-CG1 3.29Å; C199-V218 WeakPolarHBondContact O-CG1 3.48Å; C199-F221 HydrophobicContact CB-CD1 3.89Å; C199-F221 HydrophobicContact CB-CE1 3.91Å
200	V	92.9	Very high	92.8	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.036	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-44.3	177.3	-176.3	0	0	0	0	110.8	N198 G203 R204 K237 L238	N198-V200 PolarHBondContact O-N 3.48Å; N198-V200 VanDerWaalsContact O-N 3.13Å; V200-G203 PolarHBondContact O-N 3.49Å; V200-R204 PolarHBondContact O-N 3.22Å; V200-K237 HydrophobicContact CG1-CB 3.88Å; V200-K237 WeakPolarHBondContact CG1-O 3.27Å; V200-L238 HydrophobicContact CG1-CD2 4.31Å; V200-L238 HydrophobicContact CG2-CD2 3.85Å; V200-L238 HydrophobicContact CG2-CG 4.24Å
201	E	91.3	Very high	92.8	Very high	75 Å²	75	49.6 Å²	49.6	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-69.1	-46.1	179.7	-166.6	59	-133.1	0	0	111.4	N198 G203 R204 I205	N198-E201 PolarHBondContact O-N 3.3Å; E201-G203 PolarHBondContact O-N 3.21Å; E201-R204 WeakPolarHBondContact O-CA 3.24Å; E201-R204 WeakPolarHBondContact O-CB 3.47Å; E201-R204 PolarHBondContact O-N 3.14Å; E201-R204 IonicContact OE1-CZ 2.72Å; E201-R204 IonicContact OE1-NH1 3.34Å; E201-R204 PolarHBondContact OE1-NH1 3.05Å; E201-R204 IonicContact OE2-CZ 3.87Å; E201-R204 IonicContact OE2-NH1 3.69Å; E201-R204 PolarHBondContact OE2-NH1 3.34Å; E201-R204 IonicContact OE2-NH2 3.13Å; E201-R204 PolarHBondContact OE2-NH2 2.92Å; E201-I205 HydrophobicContact CG-CD1 4.42Å; E201-I205 WeakPolarHBondContact O-CG1 3.47Å; E201-I205 PolarHBondContact O-N 3.23Å
202	V	93.7	Very high	92.6	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.012	29%	0.287	C	S	.	.	H	α-helix	trans	-56.5	-38.4	173.5	174.6	0	0	0	0	110.6	L190 V194 N198 I205 A206 V214 V218	L190-V202 HydrophobicContact CB-CG1 4.16Å; L190-V202 HydrophobicContact CD2-CB 4.43Å; L190-V202 HydrophobicContact CD2-CG1 3.87Å; L190-V202 HydrophobicContact CD2-CG2 4.05Å; L190-V202 HydrophobicContact CG-CG1 4.48Å; V194-V202 HydrophobicContact CG2-CG1 4.02Å; N198-V202 HydrophobicContact CB-CG2 4.48Å; N198-V202 WeakPolarHBondContact O-CG2 3.47Å; N198-V202 PolarHBondContact O-N 3.48Å; V202-I205 PolarHBondContact O-N 3.03Å; V202-A206 WeakPolarHBondContact O-CB 3.35Å; V202-A206 PolarHBondContact O-N 3.38Å; V202-V214 HydrophobicContact CG1-CG1 3.82Å; V202-V218 HydrophobicContact CB-CG2 4.43Å; V202-V218 HydrophobicContact CG1-CG2 3.8Å
203	G	93.9	Very high	92.7	Very high	2 Å²	2	52.6 Å²	52.6	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-59.3	-45.5	171.4	0	0	0	0	0	114.7	C199 V200 E201 A206 N207 R242	C199-G203 PolarHBondContact O-N 2.93Å; V200-G203 PolarHBondContact O-N 3.49Å; E201-G203 PolarHBondContact O-N 3.21Å; G203-A206 PolarHBondContact O-N 2.98Å; G203-N207 PolarHBondContact O-N 2.93Å; G203-R242 VanDerWaalsContact CA-NH2 3.26Å; G203-R242 PolarHBondContact O-NH2 3.48Å
204	R	92.5	Very high	92.9	Very high	126 Å²	126	51.1 Å²	51.1	48%	0.475	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-43.6	177.3	-167.9	-171.7	-59.4	143.7	8.4	111.4	V200 E201 A206 N207 T208	V200-R204 PolarHBondContact O-N 3.22Å; E201-R204 WeakPolarHBondContact O-CA 3.24Å; E201-R204 WeakPolarHBondContact O-CB 3.47Å; E201-R204 PolarHBondContact O-N 3.14Å; E201-R204 IonicContact OE1-CZ 2.72Å; E201-R204 IonicContact OE1-NH1 3.34Å; E201-R204 PolarHBondContact OE1-NH1 3.05Å; E201-R204 IonicContact OE2-CZ 3.87Å; E201-R204 IonicContact OE2-NH1 3.69Å; E201-R204 PolarHBondContact OE2-NH1 3.34Å; E201-R204 IonicContact OE2-NH2 3.13Å; E201-R204 PolarHBondContact OE2-NH2 2.92Å; R204-A206 VanDerWaalsContact C-N 3.34Å; R204-N207 PolarHBondContact O-N 3.19Å; R204-T208 WeakPolarHBondContact O-CB 3.04Å; R204-T208 PolarHBondContact O-N 3.04Å; R204-T208 PolarHBondContact O-OG1 3.45Å
205	I	91.7	Very high	92.9	Very high	17 Å²	17	52.5 Å²	52.5	9%	0.087	27%	0.272	C	S	.	.	H	α-helix	trans	-57.7	-49.4	173.8	-65.9	170.2	0	0	0	109.6	L171 L190 E201 V202 N207 T208 Y209	L171-I205 HydrophobicContact CD1-CG2 3.64Å; L190-I205 HydrophobicContact CD1-CG2 3.95Å; E201-I205 HydrophobicContact CG-CD1 4.42Å; E201-I205 WeakPolarHBondContact O-CG1 3.47Å; E201-I205 PolarHBondContact O-N 3.23Å; V202-I205 PolarHBondContact O-N 3.03Å; I205-N207 VanDerWaalsContact C-N 3.35Å; I205-N207 PolarHBondContact O-N 3.38Å; I205-T208 PolarHBondContact O-N 2.94Å; I205-Y209 HydrophobicContact CG2-CD2 3.83Å; I205-Y209 HydrophobicContact CG2-CE2 4.12Å; I205-Y209 VanDerWaalsContact O-CD2 3.28Å; I205-Y209 WeakPolarHBondContact O-CD2 3.42Å; I205-Y209 PolarHBondContact O-N 2.91Å
206	A	93.4	Very high	93	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.7	-44.4	-179.7	0	0	0	0	0	112.5	V202 G203 R204 N210 L211 V214 D215	V202-A206 WeakPolarHBondContact O-CB 3.35Å; V202-A206 PolarHBondContact O-N 3.38Å; G203-A206 PolarHBondContact O-N 2.98Å; R204-A206 VanDerWaalsContact C-N 3.34Å; A206-N210 CarbonylContact O-C 3.51Å; A206-N210 WeakPolarHBondContact O-CA 3.2Å; A206-N210 PolarHBondContact O-N 2.95Å; A206-L211 HydrophobicContact CB-CB 4.24Å; A206-L211 PolarHBondContact O-N 3.11Å; A206-V214 HydrophobicContact CB-CB 3.92Å; A206-V214 HydrophobicContact CB-CG1 3.89Å; A206-D215 HydrophobicContact CB-CB 4.09Å
207	N	91.6	Very high	93.1	Very high	109 Å²	109	58.9 Å²	58.9	58%	0.583	29%	0.29	S	S	*	.	H	α-helix	trans	-66.6	-43.6	177.1	-169.2	25.2	0	0	0	112.1	G203 R204 I205 Y209 N210	G203-N207 PolarHBondContact O-N 2.93Å; R204-N207 PolarHBondContact O-N 3.19Å; I205-N207 VanDerWaalsContact C-N 3.35Å; I205-N207 PolarHBondContact O-N 3.38Å; N207-Y209 VanDerWaalsContact C-N 3.31Å; N207-Y209 PolarHBondContact O-N 2.84Å; N207-N210 PolarHBondContact O-N 3.12Å
208	T	90.8	Very high	93.4	Very high	89 Å²	89	53.3 Å²	53.3	55%	0.546	26%	0.261	S	S	.	.	H	α-helix	trans	-60.3	-40.9	-177.8	-57.4	0	0	0	0	111.7	R204 I205	R204-T208 WeakPolarHBondContact O-CB 3.04Å; R204-T208 PolarHBondContact O-N 3.04Å; R204-T208 PolarHBondContact O-OG1 3.45Å; I205-T208 PolarHBondContact O-N 2.94Å
209	Y	89	Confident	93.5	Very high	41 Å²	41	52.9 Å²	52.9	16%	0.161	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	9	-179.7	-60.9	-72	0	0	0	114	L171 E172 I205 N207 L211	L171-Y209 HydrophobicContact CB-CD2 4.41Å; L171-Y209 HydrophobicContact CB-CE2 4.25Å; L171-Y209 HydrophobicContact CD1-CD2 4.3Å; L171-Y209 HydrophobicContact CD1-CE2 4.45Å; E172-Y209 HydrophobicContact CB-CE1 4.17Å; I205-Y209 HydrophobicContact CG2-CD2 3.83Å; I205-Y209 HydrophobicContact CG2-CE2 4.12Å; I205-Y209 VanDerWaalsContact O-CD2 3.28Å; I205-Y209 WeakPolarHBondContact O-CD2 3.42Å; I205-Y209 PolarHBondContact O-N 2.91Å; N207-Y209 VanDerWaalsContact C-N 3.31Å; N207-Y209 PolarHBondContact O-N 2.84Å; Y209-L211 VanDerWaalsContact C-N 3.29Å; Y209-L211 PolarHBondContact O-N 3.23Å
210	N	90.1	Very high	93.6	Very high	115 Å²	115	56.5 Å²	56.5	62%	0.615	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	39.5	-176.7	-61.3	-75.8	0	0	0	114.2	A206 N207 T212	A206-N210 CarbonylContact O-C 3.51Å; A206-N210 WeakPolarHBondContact O-CA 3.2Å; A206-N210 PolarHBondContact O-N 2.95Å; N207-N210 PolarHBondContact O-N 3.12Å; N210-T212 VanDerWaalsContact C-N 3.34Å; N210-T212 PolarHBondContact O-N 2.89Å
211	L	93.6	Very high	93.8	Very high	9 Å²	9	57.9 Å²	57.9	5%	0.047	29%	0.289	C	S	.	.			trans	-80.3	78.5	176.6	-52.7	179.4	0	0	0	110.2	L171 K187 L190 A206 Y209 E213 V214 D215	L171-L211 HydrophobicContact CD2-CD1 4.1Å; K187-L211 HydrophobicContact CG-CD2 4.24Å; L190-L211 HydrophobicContact CD1-CD1 3.82Å; A206-L211 HydrophobicContact CB-CB 4.24Å; A206-L211 PolarHBondContact O-N 3.11Å; Y209-L211 VanDerWaalsContact C-N 3.29Å; Y209-L211 PolarHBondContact O-N 3.23Å; L211-E213 VanDerWaalsContact C-N 3.29Å; L211-E213 PolarHBondContact O-N 3.31Å; L211-V214 HydrophobicContact CB-CB 4.05Å; L211-V214 HydrophobicContact CB-CG2 3.9Å; L211-V214 HydrophobicContact CD1-CG2 4.29Å; L211-V214 PolarHBondContact O-N 3.07Å; L211-V214 VanDerWaalsContact O-N 3.16Å; L211-D215 PolarHBondContact O-N 3.33Å
212	T	93.6	Very high	94	Very high	94 Å²	94	54.3 Å²	54.3	58%	0.577	27%	0.273	S	S	*	.	H	α-helix	trans	-59.3	-34.1	-171.2	54.6	0	0	0	0	114.6	N210 K216	N210-T212 VanDerWaalsContact C-N 3.34Å; N210-T212 PolarHBondContact O-N 2.89Å; T212-K216 WeakPolarHBondContact O-CB 3.39Å; T212-K216 VanDerWaalsContact O-CG 3.29Å; T212-K216 WeakPolarHBondContact O-CG 3.28Å; T212-K216 PolarHBondContact O-N 2.84Å
213	E	95.5	Very high	94.1	Very high	113 Å²	113	54.8 Å²	54.8	53%	0.528	28%	0.275	S	S	.	.	H	α-helix	trans	-69.7	-42.5	178.6	-68.8	171.4	168.7	0	0	111.5	K187 L211 K216 Y217	K187-E213 IonicContact NZ-OE2 2.71Å; L211-E213 VanDerWaalsContact C-N 3.29Å; L211-E213 PolarHBondContact O-N 3.31Å; E213-K216 PolarHBondContact O-N 3.12Å; E213-Y217 WeakPolarHBondContact O-CB 3.3Å; E213-Y217 PolarHBondContact O-N 3.15Å
214	V	96.2	Very high	94.1	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65	-45.2	175.3	-174.2	0	0	0	0	109.6	K187 L190 I191 V202 A206 L211 K216 Y217 V218	K187-V214 HydrophobicContact CB-CG2 3.81Å; K187-V214 HydrophobicContact CG-CG2 3.84Å; L190-V214 HydrophobicContact CB-CG1 3.96Å; L190-V214 HydrophobicContact CB-CG2 4.41Å; L190-V214 HydrophobicContact CD1-CG1 4.25Å; L190-V214 HydrophobicContact CD1-CG2 4.47Å; I191-V214 HydrophobicContact CD1-CG2 4.25Å; I191-V214 HydrophobicContact CG1-CB 4.48Å; I191-V214 HydrophobicContact CG1-CG1 4.46Å; I191-V214 HydrophobicContact CG1-CG2 4.11Å; V202-V214 HydrophobicContact CG1-CG1 3.82Å; A206-V214 HydrophobicContact CB-CB 3.92Å; A206-V214 HydrophobicContact CB-CG1 3.89Å; L211-V214 HydrophobicContact CB-CB 4.05Å; L211-V214 HydrophobicContact CB-CG2 3.9Å; L211-V214 HydrophobicContact CD1-CG2 4.29Å; L211-V214 PolarHBondContact O-N 3.07Å; L211-V214 VanDerWaalsContact O-N 3.16Å; V214-K216 PolarHBondContact O-N 2.94Å; V214-Y217 PolarHBondContact O-N 3.49Å; V214-V218 HydrophobicContact CG1-CG2 4.22Å; V214-V218 VanDerWaalsContact O-CG2 3.26Å; V214-V218 WeakPolarHBondContact O-CG2 3.2Å; V214-V218 PolarHBondContact O-N 3.3Å
215	D	94.9	Very high	94.1	Very high	44 Å²	44	58.1 Å²	58.1	24%	0.235	29%	0.294	C	S	.	.	H	α-helix	trans	-59.8	-45.4	178.6	-173	72.1	0	0	0	112.1	A206 L211 Y217 V218 N219 R242	A206-D215 HydrophobicContact CB-CB 4.09Å; L211-D215 PolarHBondContact O-N 3.33Å; D215-Y217 PolarHBondContact O-N 2.87Å; D215-V218 PolarHBondContact O-N 3.3Å; D215-N219 WeakPolarHBondContact O-CB 3.3Å; D215-N219 PolarHBondContact O-N 3.01Å; D215-N219 PolarHBondContact O-ND2 2.98Å; D215-N219 PolarHBondContact OD2-ND2 2.87Å; D215-R242 IonicContact OD1-CZ 3.39Å; D215-R242 IonicContact OD1-NH2 2.82Å; D215-R242 PolarHBondContact OD1-NH2 3.19Å
216	K	95.8	Very high	94.3	Very high	147 Å²	147	57.3 Å²	57.3	64%	0.639	29%	0.29	S	S	*	.	H	α-helix	trans	-58	-47.9	173.7	-76.7	176.3	-179.2	-178.5	0	111.9	T212 E213 V214 V218 N219 S220	T212-K216 WeakPolarHBondContact O-CB 3.39Å; T212-K216 VanDerWaalsContact O-CG 3.29Å; T212-K216 WeakPolarHBondContact O-CG 3.28Å; T212-K216 PolarHBondContact O-N 2.84Å; E213-K216 PolarHBondContact O-N 3.12Å; V214-K216 PolarHBondContact O-N 2.94Å; K216-V218 PolarHBondContact O-N 3.34Å; K216-N219 PolarHBondContact O-N 3.13Å; K216-S220 PolarHBondContact O-N 2.93Å; K216-S220 PolarHBondContact O-OG 3.2Å
217	Y	97.3	Very high	94.3	Very high	98 Å²	98	59.2 Å²	59.2	38%	0.384	30%	0.303	S	S	.	.	H	α-helix	trans	-60.4	-45.5	178.5	-179.8	-95.8	0	0	0	111.7	I191 V194 E213 V214 D215 N219 S220 F221	I191-Y217 HydrophobicContact CB-CD1 4.38Å; I191-Y217 HydrophobicContact CG1-CD1 4.28Å; I191-Y217 HydrophobicContact CG1-CG 4.28Å; I191-Y217 HydrophobicContact CG2-CD1 3.97Å; I191-Y217 HydrophobicContact CG2-CD2 3.99Å; I191-Y217 HydrophobicContact CG2-CE1 3.95Å; I191-Y217 HydrophobicContact CG2-CE2 3.99Å; I191-Y217 HydrophobicContact CG2-CG 3.98Å; I191-Y217 WeakPolarHBondContact O-CE1 3.38Å; V194-Y217 HydrophobicContact CB-CE1 3.93Å; V194-Y217 HydrophobicContact CG2-CD1 3.93Å; V194-Y217 HydrophobicContact CG2-CE1 3.72Å; E213-Y217 WeakPolarHBondContact O-CB 3.3Å; E213-Y217 PolarHBondContact O-N 3.15Å; V214-Y217 PolarHBondContact O-N 3.49Å; D215-Y217 PolarHBondContact O-N 2.87Å; Y217-N219 PolarHBondContact O-N 3.25Å; Y217-S220 PolarHBondContact O-N 3.48Å; Y217-F221 WeakPolarHBondContact O-CB 3.46Å; Y217-F221 PolarHBondContact O-N 3.32Å
218	V	96.7	Very high	94.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.7	-40.9	177.9	-178.1	0	0	0	0	111.1	V194 C199 V202 V214 D215 K216 S220 F221 V222	V194-V218 HydrophobicContact CG2-CG2 4.23Å; C199-V218 HydrophobicContact CB-CG1 4.34Å; C199-V218 VanDerWaalsContact O-CG1 3.29Å; C199-V218 WeakPolarHBondContact O-CG1 3.48Å; V202-V218 HydrophobicContact CB-CG2 4.43Å; V202-V218 HydrophobicContact CG1-CG2 3.8Å; V214-V218 HydrophobicContact CG1-CG2 4.22Å; V214-V218 VanDerWaalsContact O-CG2 3.26Å; V214-V218 WeakPolarHBondContact O-CG2 3.2Å; V214-V218 PolarHBondContact O-N 3.3Å; D215-V218 PolarHBondContact O-N 3.3Å; K216-V218 PolarHBondContact O-N 3.34Å; V218-S220 VanDerWaalsContact C-N 3.34Å; V218-S220 PolarHBondContact O-N 2.95Å; V218-F221 WeakPolarHBondContact O-CB 3.35Å; V218-F221 PolarHBondContact O-N 2.91Å; V218-V222 HydrophobicContact CG1-CG2 4.11Å; V218-V222 WeakPolarHBondContact O-CB 3.41Å; V218-V222 VanDerWaalsContact O-CG2 3.28Å; V218-V222 WeakPolarHBondContact O-CG2 3.29Å; V218-V222 PolarHBondContact O-N 2.86Å
219	N	95.5	Very high	94.5	Very high	23 Å²	23	51.6 Å²	51.6	12%	0.123	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-44.8	175.6	-72.9	-26	0	0	0	111.3	D215 K216 Y217 V222 L223 R242 F245	D215-N219 WeakPolarHBondContact O-CB 3.3Å; D215-N219 PolarHBondContact O-N 3.01Å; D215-N219 PolarHBondContact O-ND2 2.98Å; D215-N219 PolarHBondContact OD2-ND2 2.87Å; K216-N219 PolarHBondContact O-N 3.13Å; Y217-N219 PolarHBondContact O-N 3.25Å; N219-V222 PolarHBondContact O-N 3.48Å; N219-L223 WeakPolarHBondContact O-CB 3.45Å; N219-L223 VanDerWaalsContact O-CG 3.28Å; N219-L223 WeakPolarHBondContact O-CG 3.26Å; N219-L223 PolarHBondContact O-N 3.2Å; N219-R242 PolarHBondContact OD1-NE 2.99Å; N219-R242 VanDerWaalsContact OD1-NE 3.15Å; N219-F245 HydrophobicContact CB-CD1 4.39Å; N219-F245 HydrophobicContact CB-CE1 3.73Å; N219-F245 HydrophobicContact CB-CZ 4.3Å
220	S	95.9	Very high	94.6	Very high	76 Å²	76	50.8 Å²	50.8	53%	0.531	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-40.6	173.4	-62.8	0	0	0	0	112.6	K216 Y217 V218 L223 K224	K216-S220 PolarHBondContact O-N 2.93Å; K216-S220 PolarHBondContact O-OG 3.2Å; Y217-S220 PolarHBondContact O-N 3.48Å; V218-S220 VanDerWaalsContact C-N 3.34Å; V218-S220 PolarHBondContact O-N 2.95Å; S220-L223 PolarHBondContact O-N 3.02Å; S220-K224 WeakPolarHBondContact O-CB 3.37Å; S220-K224 PolarHBondContact O-N 3.48Å; S220-K224 VanDerWaalsContact O-N 3.07Å
221	F	96.2	Very high	94.6	Very high	36 Å²	36	50.6 Å²	50.6	16%	0.158	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-45.6	176.6	-178.7	-88	0	0	0	111.7	V194 L196 C199 Y217 V218 K224 N225	V194-F221 HydrophobicContact CG1-CB 4.42Å; V194-F221 HydrophobicContact CG1-CD1 3.75Å; V194-F221 HydrophobicContact CG1-CD2 4.05Å; V194-F221 HydrophobicContact CG1-CE1 3.96Å; V194-F221 HydrophobicContact CG1-CE2 4.24Å; V194-F221 HydrophobicContact CG1-CG 3.81Å; V194-F221 HydrophobicContact CG1-CZ 4.21Å; L196-F221 HydrophobicContact CD2-CE1 4.15Å; L196-F221 HydrophobicContact CD2-CZ 4.22Å; C199-F221 HydrophobicContact CB-CD1 3.89Å; C199-F221 HydrophobicContact CB-CE1 3.91Å; Y217-F221 WeakPolarHBondContact O-CB 3.46Å; Y217-F221 PolarHBondContact O-N 3.32Å; V218-F221 WeakPolarHBondContact O-CB 3.35Å; V218-F221 PolarHBondContact O-N 2.91Å; F221-K224 PolarHBondContact O-N 2.97Å; F221-N225 HydrophobicContact CE1-CB 4.44Å; F221-N225 WeakPolarHBondContact O-CB 3.16Å; F221-N225 PolarHBondContact O-N 3.37Å; F221-N225 PolarHBondContact O-ND2 3.29Å
222	V	95.8	Very high	94.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-44.8	178	172.4	0	0	0	0	110.5	V218 N219 K224 N225 F226 L229 V246	V218-V222 HydrophobicContact CG1-CG2 4.11Å; V218-V222 WeakPolarHBondContact O-CB 3.41Å; V218-V222 VanDerWaalsContact O-CG2 3.28Å; V218-V222 WeakPolarHBondContact O-CG2 3.29Å; V218-V222 PolarHBondContact O-N 2.86Å; N219-V222 PolarHBondContact O-N 3.48Å; V222-K224 VanDerWaalsContact C-N 3.32Å; V222-K224 PolarHBondContact O-N 3.36Å; V222-N225 CarbonylContact O-C 3.49Å; V222-N225 PolarHBondContact O-N 3.41Å; V222-F226 HydrophobicContact CG1-CD2 4Å; V222-F226 WeakPolarHBondContact O-CA 3.37Å; V222-F226 VanDerWaalsContact O-CB 3.32Å; V222-F226 WeakPolarHBondContact O-CB 3.45Å; V222-F226 PolarHBondContact O-N 3.25Å; V222-L229 HydrophobicContact CB-CD1 4.37Å; V222-L229 HydrophobicContact CG1-CD1 3.97Å; V222-L229 HydrophobicContact CG2-CD1 4.23Å; V222-V246 HydrophobicContact CG1-CG2 3.62Å
223	L	95.3	Very high	94.1	Very high	12 Å²	12	49.9 Å²	49.9	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-40.6	177.1	-74.2	169.3	0	0	0	112.7	N219 S220 F245 V246 L252	N219-L223 WeakPolarHBondContact O-CB 3.45Å; N219-L223 VanDerWaalsContact O-CG 3.28Å; N219-L223 WeakPolarHBondContact O-CG 3.26Å; N219-L223 PolarHBondContact O-N 3.2Å; S220-L223 PolarHBondContact O-N 3.02Å; L223-F245 HydrophobicContact CD1-CE1 3.68Å; L223-F245 HydrophobicContact CD1-CZ 3.94Å; L223-F245 HydrophobicContact CD2-CE1 4.41Å; L223-F245 HydrophobicContact CG-CE1 4.1Å; L223-V246 HydrophobicContact CD2-CB 4.41Å; L223-V246 HydrophobicContact CD2-CG1 4.29Å; L223-V246 HydrophobicContact CD2-CG2 4.28Å; L223-L252 HydrophobicContact CD2-CB 4.03Å; L223-L252 HydrophobicContact CD2-CD1 4.49Å
224	K	93.9	Very high	93.8	Very high	154 Å²	154	46.1 Å²	46.1	67%	0.67	25%	0.253	S	S	*	.	H	α-helix	trans	-71.8	-35.6	179.7	-176	179.1	176.3	-175.9	0	112.6	S220 F221 V222	S220-K224 WeakPolarHBondContact O-CB 3.37Å; S220-K224 PolarHBondContact O-N 3.48Å; S220-K224 VanDerWaalsContact O-N 3.07Å; F221-K224 PolarHBondContact O-N 2.97Å; V222-K224 VanDerWaalsContact C-N 3.32Å; V222-K224 PolarHBondContact O-N 3.36Å
225	N	94.4	Very high	93.6	Very high	44 Å²	44	46.2 Å²	46.2	24%	0.235	25%	0.253	C	S	.	.	H	α-helix	trans	-111.2	13	-171.3	-60.1	-76.6	0	0	0	113.8	L196 F221 V222 P227 A228 L229	L196-N225 HydrophobicContact CD2-CB 3.7Å; F221-N225 HydrophobicContact CE1-CB 4.44Å; F221-N225 WeakPolarHBondContact O-CB 3.16Å; F221-N225 PolarHBondContact O-N 3.37Å; F221-N225 PolarHBondContact O-ND2 3.29Å; V222-N225 CarbonylContact O-C 3.49Å; V222-N225 PolarHBondContact O-N 3.41Å; N225-P227 VanDerWaalsContact C-CD 3.42Å; N225-A228 WeakPolarHBondContact O-CB 3.39Å; N225-A228 PolarHBondContact O-N 3.48Å; N225-A228 VanDerWaalsContact O-N 3.08Å; N225-L229 PolarHBondContact O-N 3.15Å
226	F	95	Very high	93.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-55.1	-41.9	-178.4	-159	-112.8	0	0	0	113.8	V222 A228 L229 L230 F235 L238 L243 V246 L252 L260	V222-F226 HydrophobicContact CG1-CD2 4Å; V222-F226 WeakPolarHBondContact O-CA 3.37Å; V222-F226 VanDerWaalsContact O-CB 3.32Å; V222-F226 WeakPolarHBondContact O-CB 3.45Å; V222-F226 PolarHBondContact O-N 3.25Å; F226-A228 VanDerWaalsContact C-N 3.28Å; F226-A228 PolarHBondContact O-N 3.02Å; F226-L229 HydrophobicContact CD2-CD1 4.44Å; F226-L229 WeakPolarHBondContact O-CB 3.15Å; F226-L229 PolarHBondContact O-N 2.86Å; F226-L230 HydrophobicContact CD1-CD1 4.22Å; F226-L230 HydrophobicContact CD1-CD2 4.3Å; F226-L230 HydrophobicContact CD1-CG 4.12Å; F226-L230 HydrophobicContact CE1-CD1 4.21Å; F226-L230 HydrophobicContact CE1-CD2 3.73Å; F226-L230 HydrophobicContact CE1-CG 4.04Å; F226-L230 HydrophobicContact CZ-CD2 3.97Å; F226-L230 WeakPolarHBondContact O-CG 3.39Å; F226-L230 PolarHBondContact O-N 3.43Å; F226-F235 HydrophobicContact CE2-CB 4.3Å; F226-L238 HydrophobicContact CE2-CD1 4.13Å; F226-L243 HydrophobicContact CZ-CD1 4.12Å; F226-V246 HydrophobicContact CD1-CG1 4.22Å; F226-V246 HydrophobicContact CD2-CG1 3.77Å; F226-V246 HydrophobicContact CE1-CG1 4.22Å; F226-V246 HydrophobicContact CE2-CG1 3.79Å; F226-V246 HydrophobicContact CG-CG1 3.99Å; F226-V246 HydrophobicContact CZ-CG1 4.02Å; F226-L252 HydrophobicContact CB-CD1 3.5Å; F226-L252 VanDerWaalsContact CB-CD1 3.5Å; F226-L252 HydrophobicContact CD1-CD1 3.93Å; F226-L252 HydrophobicContact CG-CD1 3.9Å; F226-L260 HydrophobicContact CD1-CD2 4Å; F226-L260 HydrophobicContact CE1-CD2 3.68Å
227	P	93	Very high	93.5	Very high	40 Å²	40	44.7 Å²	44.7	26%	0.26	25%	0.246	S	C	.	.	H	α-helix	trans	-56.8	-41.2	175.7	-20.3	28.2	0	0	0	112.9	N225 L230 K253 H254	N225-P227 VanDerWaalsContact C-CD 3.42Å; P227-L230 WeakPolarHBondContact O-CB 3.33Å; P227-L230 PolarHBondContact O-N 2.89Å; P227-K253 WeakPolarHBondContact CG-O 3.48Å; P227-H254 HydrophobicContact CG-CB 3.97Å; P227-H254 WeakPolarHBondContact CG-O 3.48Å
228	A	93.5	Very high	93.4	Very high	38 Å²	38	40.1 Å²	40.1	31%	0.314	23%	0.228	S	C	.	.	H	α-helix	trans	-67.6	-39.1	176.2	0	0	0	0	0	111.7	L196 N225 F226 L230 S231 T232	L196-A228 HydrophobicContact CD1-CB 4Å; L196-A228 HydrophobicContact CD2-CB 4.09Å; N225-A228 WeakPolarHBondContact O-CB 3.39Å; N225-A228 PolarHBondContact O-N 3.48Å; N225-A228 VanDerWaalsContact O-N 3.08Å; F226-A228 VanDerWaalsContact C-N 3.28Å; F226-A228 PolarHBondContact O-N 3.02Å; A228-L230 VanDerWaalsContact C-N 3.29Å; A228-L230 PolarHBondContact O-N 2.95Å; A228-S231 WeakPolarHBondContact O-CB 3.45Å; A228-S231 PolarHBondContact O-N 3.19Å; A228-S231 VanDerWaalsContact O-N 3.13Å; A228-T232 PolarHBondContact O-N 3.07Å; A228-T232 VanDerWaalsContact O-N 3.15Å
229	L	93.1	Very high	93.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-32.3	175.2	-69.2	171.8	0	0	0	112.8	L196 V222 N225 F226 S231 T232 G233 E234 F235	L196-L229 HydrophobicContact CB-CD2 4.43Å; L196-L229 HydrophobicContact CD2-CD2 4.06Å; L196-L229 HydrophobicContact CD2-CG 4.19Å; L196-L229 WeakPolarHBondContact O-CD2 3.33Å; V222-L229 HydrophobicContact CB-CD1 4.37Å; V222-L229 HydrophobicContact CG1-CD1 3.97Å; V222-L229 HydrophobicContact CG2-CD1 4.23Å; N225-L229 PolarHBondContact O-N 3.15Å; F226-L229 HydrophobicContact CD2-CD1 4.44Å; F226-L229 WeakPolarHBondContact O-CB 3.15Å; F226-L229 PolarHBondContact O-N 2.86Å; L229-S231 PolarHBondContact O-N 3.07Å; L229-T232 PolarHBondContact O-N 3.07Å; L229-T232 PolarHBondContact O-OG1 3.31Å; L229-G233 PolarHBondContact O-N 2.79Å; L229-E234 HydrophobicContact CD2-CB 4.14Å; L229-F235 HydrophobicContact CB-CB 4.42Å; L229-F235 WeakPolarHBondContact O-CD1 3.29Å
230	L	91.9	Very high	93.3	Very high	23 Å²	23	43.7 Å²	43.7	12%	0.12	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-30.5	174.6	-68.5	-177.5	0	0	0	112.6	F226 P227 A228 F235 A263 R266	F226-L230 HydrophobicContact CD1-CD1 4.22Å; F226-L230 HydrophobicContact CD1-CD2 4.3Å; F226-L230 HydrophobicContact CD1-CG 4.12Å; F226-L230 HydrophobicContact CE1-CD1 4.21Å; F226-L230 HydrophobicContact CE1-CD2 3.73Å; F226-L230 HydrophobicContact CE1-CG 4.04Å; F226-L230 HydrophobicContact CZ-CD2 3.97Å; F226-L230 WeakPolarHBondContact O-CG 3.39Å; F226-L230 PolarHBondContact O-N 3.43Å; P227-L230 WeakPolarHBondContact O-CB 3.33Å; P227-L230 PolarHBondContact O-N 2.89Å; A228-L230 VanDerWaalsContact C-N 3.29Å; A228-L230 PolarHBondContact O-N 2.95Å; L230-F235 HydrophobicContact CD2-CD1 4.01Å; L230-F235 HydrophobicContact CD2-CD2 4.24Å; L230-F235 HydrophobicContact CD2-CE1 4.22Å; L230-F235 HydrophobicContact CD2-CE2 4.44Å; L230-F235 HydrophobicContact CD2-CG 4.03Å; L230-F235 HydrophobicContact CD2-CZ 4.44Å; L230-A263 HydrophobicContact CD2-CB 3.4Å; L230-A263 VanDerWaalsContact CD2-CB 3.4Å; L230-R266 PolarHBondContact O-NH2 2.8Å
231	S	89.6	Confident	93.2	Very high	111 Å²	111	46.2 Å²	46.2	78%	0.776	25%	0.252	S	S	*	.	H	α-helix	trans	-80.9	-37.7	178.7	-60.8	0	0	0	0	112.8	A228 L229	A228-S231 WeakPolarHBondContact O-CB 3.45Å; A228-S231 PolarHBondContact O-N 3.19Å; A228-S231 VanDerWaalsContact O-N 3.13Å; L229-S231 PolarHBondContact O-N 3.07Å
232	T	89.6	Confident	93.2	Very high	66 Å²	66	45.2 Å²	45.2	41%	0.405	25%	0.247	S	C	.	.	H	α-helix	trans	-77.1	-25.2	177.8	63.6	0	0	0	0	113	A228 L229 E234	A228-T232 PolarHBondContact O-N 3.07Å; A228-T232 VanDerWaalsContact O-N 3.15Å; L229-T232 PolarHBondContact O-N 3.07Å; L229-T232 PolarHBondContact O-OG1 3.31Å; T232-E234 VanDerWaalsContact C-N 3.28Å; T232-E234 PolarHBondContact O-N 2.86Å; T232-E234 PolarHBondContact OG1-N 3.26Å
233	G	86.3	Confident	93.2	Very high	23 Å²	23	45.2 Å²	45.2	24%	0.237	25%	0.248	C	C	.	.	S	Bend	trans	84.6	-4	-177.2	0	0	0	0	0	114.2	L229 F235 L236	L229-G233 PolarHBondContact O-N 2.79Å; G233-F235 PolarHBondContact O-N 3.19Å; G233-F235 VanDerWaalsContact O-N 3.11Å; G233-L236 WeakPolarHBondContact O-CB 3.48Å; G233-L236 WeakPolarHBondContact O-CG 3.4Å; G233-L236 PolarHBondContact O-N 2.8Å
234	E	89.2	Confident	93.3	Very high	34 Å²	34	45.4 Å²	45.4	16%	0.159	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-59	-25.8	178	-73.1	-59.6	129.8	0	0	112.6	L229 T232 L236 K237	L229-E234 HydrophobicContact CD2-CB 4.14Å; T232-E234 VanDerWaalsContact C-N 3.28Å; T232-E234 PolarHBondContact O-N 2.86Å; T232-E234 PolarHBondContact OG1-N 3.26Å; E234-L236 PolarHBondContact O-N 2.9Å; E234-L236 VanDerWaalsContact O-N 3.08Å; E234-K237 WeakPolarHBondContact O-CB 3.32Å; E234-K237 PolarHBondContact O-N 3.25Å; E234-K237 IonicContact OE1-NZ 3.05Å; E234-K237 PolarHBondContact OE1-NZ 3.11Å; E234-K237 WeakPolarHBondContact OE2-CD 3.48Å; E234-K237 WeakPolarHBondContact OE2-CE 3.33Å; E234-K237 IonicContact OE2-NZ 3.28Å; E234-K237 PolarHBondContact OE2-NZ 3.22Å
235	F	92.8	Very high	93.5	Very high	2 Å²	2	42 Å²	42	1%	0.009	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-57.1	-24.9	175.2	83.6	-84.6	0	0	0	113.5	F226 L229 L230 G233 K237 L238 A263 R266 W267	F226-F235 HydrophobicContact CE2-CB 4.3Å; L229-F235 HydrophobicContact CB-CB 4.42Å; L229-F235 WeakPolarHBondContact O-CD1 3.29Å; L230-F235 HydrophobicContact CD2-CD1 4.01Å; L230-F235 HydrophobicContact CD2-CD2 4.24Å; L230-F235 HydrophobicContact CD2-CE1 4.22Å; L230-F235 HydrophobicContact CD2-CE2 4.44Å; L230-F235 HydrophobicContact CD2-CG 4.03Å; L230-F235 HydrophobicContact CD2-CZ 4.44Å; G233-F235 PolarHBondContact O-N 3.19Å; G233-F235 VanDerWaalsContact O-N 3.11Å; F235-K237 PolarHBondContact O-N 2.61Å; F235-L238 HydrophobicContact CB-CD1 4.02Å; F235-L238 VanDerWaalsContact O-CB 3.29Å; F235-L238 WeakPolarHBondContact O-CB 3.26Å; F235-L238 WeakPolarHBondContact O-CG 3.43Å; F235-L238 PolarHBondContact O-N 3.48Å; F235-L238 VanDerWaalsContact O-N 3.12Å; F235-A263 HydrophobicContact CE2-CB 4.09Å; F235-A263 WeakPolarHBondContact CE2-O 3.39Å; F235-A263 HydrophobicContact CZ-CB 4.43Å; F235-R266 HydrophobicContact CZ-CB 4.14Å; F235-W267 HydrophobicContact CE2-CB 4.31Å
236	L	94.9	Very high	93.6	Very high	45 Å²	45	40 Å²	40	24%	0.236	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-63.7	-24	177.9	-69	174.6	0	0	0	112.8	G233 E234 R266 W267 L270 R274	G233-L236 WeakPolarHBondContact O-CB 3.48Å; G233-L236 WeakPolarHBondContact O-CG 3.4Å; G233-L236 PolarHBondContact O-N 2.8Å; E234-L236 PolarHBondContact O-N 2.9Å; E234-L236 VanDerWaalsContact O-N 3.08Å; L236-R266 HydrophobicContact CD2-CB 4.17Å; L236-W267 HydrophobicContact CD2-CB 4.36Å; L236-L270 HydrophobicContact CB-CD2 4.15Å; L236-R274 PolarHBondContact O-NH1 3.48Å
237	K	93.9	Very high	93.7	Very high	113 Å²	113	40 Å²	40	49%	0.491	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-86.1	-5.9	178.5	-57.7	178.1	-166.3	160.2	0	113	V200 E234 F235	V200-K237 HydrophobicContact CG1-CB 3.88Å; V200-K237 WeakPolarHBondContact CG1-O 3.27Å; E234-K237 WeakPolarHBondContact O-CB 3.32Å; E234-K237 PolarHBondContact O-N 3.25Å; E234-K237 IonicContact OE1-NZ 3.05Å; E234-K237 PolarHBondContact OE1-NZ 3.11Å; E234-K237 WeakPolarHBondContact OE2-CD 3.48Å; E234-K237 WeakPolarHBondContact OE2-CE 3.33Å; E234-K237 IonicContact OE2-NZ 3.28Å; E234-K237 PolarHBondContact OE2-NZ 3.22Å; F235-K237 PolarHBondContact O-N 2.61Å
238	L	94.6	Very high	93.8	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	23%	0.233	C	C	.	.			trans	-64.5	139.3	179.9	-71.8	169.8	0	0	0	111.1	V200 F226 F235 R242 W267	V200-L238 HydrophobicContact CG1-CD2 4.31Å; V200-L238 HydrophobicContact CG2-CD2 3.85Å; V200-L238 HydrophobicContact CG2-CG 4.24Å; F226-L238 HydrophobicContact CE2-CD1 4.13Å; F235-L238 HydrophobicContact CB-CD1 4.02Å; F235-L238 VanDerWaalsContact O-CB 3.29Å; F235-L238 WeakPolarHBondContact O-CB 3.26Å; F235-L238 WeakPolarHBondContact O-CG 3.43Å; F235-L238 PolarHBondContact O-N 3.48Å; F235-L238 VanDerWaalsContact O-N 3.12Å; L238-R242 HydrophobicContact CD2-CG 4.19Å; L238-W267 PolarHBondContact O-NE1 3.35Å
239	P	94.3	Very high	93.9	Very high	57 Å²	57	39.9 Å²	39.9	37%	0.37	22%	0.223	S	C	.	.			trans	-68.4	156.6	170.4	30.3	-34.3	0	0	0	110.9	E241 R242 L243	P239-E241 VanDerWaalsContact C-N 3.28Å; P239-E241 PolarHBondContact O-N 3.49Å; P239-R242 HydrophobicContact CG-CB 3.89Å; P239-R242 PolarHBondContact O-N 3.37Å; P239-L243 PolarHBondContact O-N 3.26Å; P239-L243 VanDerWaalsContact O-N 3.07Å
240	F	95.4	Very high	94	Very high	42 Å²	42	42 Å²	42	18%	0.184	24%	0.235	C	C	.	.	H	α-helix	trans	-51.4	-47	-179.1	163.5	-100.8	0	0	0	112	R242 L243 A244 W267 F277 K280 L281	F240-R242 VanDerWaalsContact C-N 3.29Å; F240-R242 PolarHBondContact O-N 3.45Å; F240-L243 PolarHBondContact O-N 3.04Å; F240-A244 HydrophobicContact CE2-CB 4.37Å; F240-A244 HydrophobicContact CZ-CB 4.28Å; F240-A244 VanDerWaalsContact O-CB 3.28Å; F240-A244 WeakPolarHBondContact O-CB 3.29Å; F240-A244 PolarHBondContact O-N 2.93Å; F240-W267 HydrophobicContact CB-CH2 4.06Å; F240-W267 HydrophobicContact CB-CZ2 4.39Å; F240-F277 HydrophobicContact CD1-CD1 4.28Å; F240-F277 HydrophobicContact CD1-CE1 4.33Å; F240-F277 HydrophobicContact CD2-CB 3.68Å; F240-F277 AromaticContact CD2-CD1 3.61Å; F240-F277 HydrophobicContact CD2-CD1 3.61Å; F240-F277 HydrophobicContact CD2-CD2 4.29Å; F240-F277 HydrophobicContact CD2-CE1 4.34Å; F240-F277 AromaticContact CD2-CG 3.59Å; F240-F277 HydrophobicContact CD2-CG 3.59Å; F240-F277 HydrophobicContact CE1-CD1 4.39Å; F240-F277 HydrophobicContact CE2-CB 3.78Å; F240-F277 AromaticContact CE2-CD1 3.72Å; F240-F277 HydrophobicContact CE2-CD1 3.72Å; F240-F277 AromaticContact CE2-CG 3.95Å; F240-F277 HydrophobicContact CE2-CG 3.95Å; F240-F277 AromaticContact CG-CD1 3.91Å; F240-F277 HydrophobicContact CG-CD1 3.91Å; F240-F277 HydrophobicContact CG-CE1 4.18Å; F240-F277 HydrophobicContact CG-CG 4.15Å; F240-F277 HydrophobicContact CZ-CD1 4.12Å; F240-K280 HydrophobicContact CE2-CB 4.03Å; F240-K280 HydrophobicContact CZ-CB 3.98Å; F240-K280 HydrophobicContact CZ-CD 4.03Å; F240-L281 HydrophobicContact CD2-CD1 4.42Å; F240-L281 HydrophobicContact CD2-CD2 3.83Å; F240-L281 HydrophobicContact CD2-CG 4.1Å; F240-L281 HydrophobicContact CE2-CD2 3.65Å; F240-L281 HydrophobicContact CE2-CG 3.87Å
241	E	95.1	Very high	94.1	Very high	129 Å²	129	44.1 Å²	44.1	60%	0.603	25%	0.251	S	S	*	.	H	α-helix	trans	-60.8	-41	-174.9	-63.2	74.2	-164.1	0	0	111.4	P239 F245	P239-E241 VanDerWaalsContact C-N 3.28Å; P239-E241 PolarHBondContact O-N 3.49Å; E241-F245 WeakPolarHBondContact O-CB 3.44Å; E241-F245 PolarHBondContact O-N 2.95Å
242	R	95.3	Very high	94.2	Very high	14 Å²	14	39.1 Å²	39.1	5%	0.053	22%	0.216	C	C	.	.	H	α-helix	trans	-76	-39.6	-178.9	-170.3	170.3	-69.6	-170.4	-0.5	111.8	G203 D215 N219 L238 P239 F240 F245 V246	G203-R242 VanDerWaalsContact CA-NH2 3.26Å; G203-R242 PolarHBondContact O-NH2 3.48Å; D215-R242 IonicContact OD1-CZ 3.39Å; D215-R242 IonicContact OD1-NH2 2.82Å; D215-R242 PolarHBondContact OD1-NH2 3.19Å; N219-R242 PolarHBondContact OD1-NE 2.99Å; N219-R242 VanDerWaalsContact OD1-NE 3.15Å; L238-R242 HydrophobicContact CD2-CG 4.19Å; P239-R242 HydrophobicContact CG-CB 3.89Å; P239-R242 PolarHBondContact O-N 3.37Å; F240-R242 VanDerWaalsContact C-N 3.29Å; F240-R242 PolarHBondContact O-N 3.45Å; R242-F245 WeakPolarHBondContact O-CB 3.34Å; R242-F245 PolarHBondContact O-N 3.27Å; R242-V246 VanDerWaalsContact O-CG2 3.3Å; R242-V246 WeakPolarHBondContact O-CG2 3.39Å; R242-V246 PolarHBondContact O-N 3.14Å
243	L	96.8	Very high	93.9	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-45.2	173.8	-179.2	60.9	0	0	0	110.7	F226 P239 F240 F245 V246 L247 W267 L281	F226-L243 HydrophobicContact CZ-CD1 4.12Å; P239-L243 PolarHBondContact O-N 3.26Å; P239-L243 VanDerWaalsContact O-N 3.07Å; F240-L243 PolarHBondContact O-N 3.04Å; L243-F245 VanDerWaalsContact C-N 3.32Å; L243-F245 PolarHBondContact O-N 2.94Å; L243-V246 PolarHBondContact O-N 3.22Å; L243-L247 HydrophobicContact CD1-CD1 4.19Å; L243-L247 HydrophobicContact CD1-CD2 4.5Å; L243-L247 HydrophobicContact CD1-CG 4.08Å; L243-L247 HydrophobicContact CG-CD1 4.01Å; L243-L247 HydrophobicContact CG-CG 4.31Å; L243-L247 WeakPolarHBondContact O-CB 3.37Å; L243-L247 VanDerWaalsContact O-CG 3.27Å; L243-L247 WeakPolarHBondContact O-CG 3.36Å; L243-L247 PolarHBondContact O-N 3.15Å; L243-W267 HydrophobicContact CD2-CB 3.95Å; L243-W267 HydrophobicContact CD2-CD2 3.54Å; L243-W267 HydrophobicContact CD2-CE3 4.04Å; L243-W267 HydrophobicContact CD2-CG 3.48Å; L243-W267 VanDerWaalsContact CD2-CG 3.48Å; L243-L281 HydrophobicContact CD2-CD1 3.95Å; L243-L281 HydrophobicContact CD2-CD2 4.42Å; L243-L281 HydrophobicContact CG-CD2 4.31Å
244	A	97.6	Very high	93.9	Very high	15 Å²	15	45.7 Å²	45.7	12%	0.124	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-44	175.1	0	0	0	0	0	111.6	F240 L247 S248 L281	F240-A244 HydrophobicContact CE2-CB 4.37Å; F240-A244 HydrophobicContact CZ-CB 4.28Å; F240-A244 VanDerWaalsContact O-CB 3.28Å; F240-A244 WeakPolarHBondContact O-CB 3.29Å; F240-A244 PolarHBondContact O-N 2.93Å; A244-L247 PolarHBondContact O-N 3.16Å; A244-S248 WeakPolarHBondContact O-CB 3.4Å; A244-S248 PolarHBondContact O-N 3.45Å; A244-S248 PolarHBondContact O-OG 3.42Å; A244-L281 HydrophobicContact CB-CD2 3.87Å
245	F	96.5	Very high	94.1	Very high	84 Å²	84	45.2 Å²	45.2	37%	0.368	23%	0.234	S	C	.	.	H	α-helix	trans	-57.6	-51	174.1	169.4	-98.3	0	0	0	111.9	N219 L223 E241 R242 L243 L247 S248 S249	N219-F245 HydrophobicContact CB-CD1 4.39Å; N219-F245 HydrophobicContact CB-CE1 3.73Å; N219-F245 HydrophobicContact CB-CZ 4.3Å; L223-F245 HydrophobicContact CD1-CE1 3.68Å; L223-F245 HydrophobicContact CD1-CZ 3.94Å; L223-F245 HydrophobicContact CD2-CE1 4.41Å; L223-F245 HydrophobicContact CG-CE1 4.1Å; E241-F245 WeakPolarHBondContact O-CB 3.44Å; E241-F245 PolarHBondContact O-N 2.95Å; R242-F245 WeakPolarHBondContact O-CB 3.34Å; R242-F245 PolarHBondContact O-N 3.27Å; L243-F245 VanDerWaalsContact C-N 3.32Å; L243-F245 PolarHBondContact O-N 2.94Å; F245-L247 PolarHBondContact O-N 2.66Å; F245-S248 PolarHBondContact O-N 3.22Å; F245-S248 VanDerWaalsContact O-N 3.15Å; F245-S248 PolarHBondContact O-OG 3.41Å; F245-S249 PolarHBondContact O-N 3.25Å; F245-S249 VanDerWaalsContact O-N 3.13Å
246	V	96.4	Very high	94.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.7	-50.2	178.7	170.4	0	0	0	0	111.1	V222 L223 F226 R242 L243 S248 S249 L252	V222-V246 HydrophobicContact CG1-CG2 3.62Å; L223-V246 HydrophobicContact CD2-CB 4.41Å; L223-V246 HydrophobicContact CD2-CG1 4.29Å; L223-V246 HydrophobicContact CD2-CG2 4.28Å; F226-V246 HydrophobicContact CD1-CG1 4.22Å; F226-V246 HydrophobicContact CD2-CG1 3.77Å; F226-V246 HydrophobicContact CE1-CG1 4.22Å; F226-V246 HydrophobicContact CE2-CG1 3.79Å; F226-V246 HydrophobicContact CG-CG1 3.99Å; F226-V246 HydrophobicContact CZ-CG1 4.02Å; R242-V246 VanDerWaalsContact O-CG2 3.3Å; R242-V246 WeakPolarHBondContact O-CG2 3.39Å; R242-V246 PolarHBondContact O-N 3.14Å; L243-V246 PolarHBondContact O-N 3.22Å; V246-S248 PolarHBondContact O-N 3.23Å; V246-S249 PolarHBondContact O-N 3.03Å; V246-L252 HydrophobicContact CG1-CD1 4.01Å; V246-L252 HydrophobicContact CG1-CD2 4.01Å
247	L	96.9	Very high	94.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-65.7	-23.6	180	-65.3	177.8	0	0	0	112.9	L243 A244 F245 L260 T264 L281 N284 I285 R339	L243-L247 HydrophobicContact CD1-CD1 4.19Å; L243-L247 HydrophobicContact CD1-CD2 4.5Å; L243-L247 HydrophobicContact CD1-CG 4.08Å; L243-L247 HydrophobicContact CG-CD1 4.01Å; L243-L247 HydrophobicContact CG-CG 4.31Å; L243-L247 WeakPolarHBondContact O-CB 3.37Å; L243-L247 VanDerWaalsContact O-CG 3.27Å; L243-L247 WeakPolarHBondContact O-CG 3.36Å; L243-L247 PolarHBondContact O-N 3.15Å; A244-L247 PolarHBondContact O-N 3.16Å; F245-L247 PolarHBondContact O-N 2.66Å; L247-L260 HydrophobicContact CD2-CB 3.97Å; L247-L260 HydrophobicContact CD2-CD1 4.42Å; L247-L260 HydrophobicContact CD2-CD2 4.14Å; L247-L260 HydrophobicContact CD2-CG 4.39Å; L247-T264 HydrophobicContact CD1-CG2 4.31Å; L247-T264 WeakPolarHBondContact CD1-OG1 3.36Å; L247-L281 HydrophobicContact CD1-CB 4.32Å; L247-L281 HydrophobicContact CD1-CD2 4.16Å; L247-N284 HydrophobicContact CB-CB 3.67Å; L247-I285 HydrophobicContact CD1-CD1 4.23Å; L247-I285 HydrophobicContact CD2-CD1 3.79Å; L247-I285 HydrophobicContact CG-CD1 4.44Å; L247-R339 VanDerWaalsContact O-CZ 3.26Å; L247-R339 PolarHBondContact O-NH1 3.43Å; L247-R339 PolarHBondContact O-NH2 2.9Å; L247-R339 VanDerWaalsContact O-NH2 3.16Å
248	S	96.3	Very high	94.3	Very high	59 Å²	59	42.5 Å²	42.5	41%	0.413	23%	0.227	S	C	.	.	H	α-helix	trans	-86.1	-18.8	178.2	70.3	0	0	0	0	113.3	A244 F245 V246	A244-S248 WeakPolarHBondContact O-CB 3.4Å; A244-S248 PolarHBondContact O-N 3.45Å; A244-S248 PolarHBondContact O-OG 3.42Å; F245-S248 PolarHBondContact O-N 3.22Å; F245-S248 VanDerWaalsContact O-N 3.15Å; F245-S248 PolarHBondContact O-OG 3.41Å; V246-S248 PolarHBondContact O-N 3.23Å
249	S	96	Very high	94.3	Very high	17 Å²	17	46.6 Å²	46.6	12%	0.119	25%	0.246	C	C	.	.			trans	-78.4	137.8	-169.1	-175.3	0	0	0	0	113.8	F245 V246 S251 R339	F245-S249 PolarHBondContact O-N 3.25Å; F245-S249 VanDerWaalsContact O-N 3.13Å; V246-S249 PolarHBondContact O-N 3.03Å; S249-S251 VanDerWaalsContact C-N 3.28Å; S249-S251 WeakPolarHBondContact OG-CB 3.47Å; S249-S251 PolarHBondContact OG-N 3.04Å; S249-R339 WeakPolarHBondContact O-CD 3.43Å; S249-R339 VanDerWaalsContact O-CG 3.25Å; S249-R339 WeakPolarHBondContact O-CG 3.47Å; S249-R339 PolarHBondContact O-NH1 2.96Å
250	N	94.6	Very high	94.5	Very high	45 Å²	45	43.9 Å²	43.9	24%	0.241	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-9.8	166.9	-82	-18.6	0	0	0	113.3	L252 R286 D341	N250-L252 VanDerWaalsContact C-N 3.34Å; N250-R286 VanDerWaalsContact OD1-CZ 3.31Å; N250-R286 PolarHBondContact OD1-NH1 3.46Å; N250-R286 PolarHBondContact OD1-NH2 3.4Å; N250-D341 VanDerWaalsContact CB-CG 3.49Å; N250-D341 WeakPolarHBondContact CB-OD1 3.28Å; N250-D341 WeakPolarHBondContact CB-OD2 3.5Å; N250-D341 PolarHBondContact ND2-OD1 3.08Å
251	S	93.5	Very high	94.6	Very high	67 Å²	67	42.1 Å²	42.1	47%	0.469	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-3	176.9	-63.8	0	0	0	0	113.5	S249 K253	S249-S251 VanDerWaalsContact C-N 3.28Å; S249-S251 WeakPolarHBondContact OG-CB 3.47Å; S249-S251 PolarHBondContact OG-N 3.04Å; S251-K253 WeakPolarHBondContact O-CG 3.28Å; S251-K253 PolarHBondContact O-N 3.21Å
252	L	93	Very high	94.7	Very high	6 Å²	6	40 Å²	40	3%	0.031	21%	0.21	C	C	.	.			trans	-71.9	123.2	175.7	177.4	60.8	0	0	0	109.6	L223 F226 V246 N250 L260	L223-L252 HydrophobicContact CD2-CB 4.03Å; L223-L252 HydrophobicContact CD2-CD1 4.49Å; F226-L252 HydrophobicContact CB-CD1 3.5Å; F226-L252 VanDerWaalsContact CB-CD1 3.5Å; F226-L252 HydrophobicContact CD1-CD1 3.93Å; F226-L252 HydrophobicContact CG-CD1 3.9Å; V246-L252 HydrophobicContact CG1-CD1 4.01Å; V246-L252 HydrophobicContact CG1-CD2 4.01Å; N250-L252 VanDerWaalsContact C-N 3.34Å; L252-L260 HydrophobicContact CD2-CD1 3.71Å; L252-L260 HydrophobicContact CD2-CD2 3.72Å; L252-L260 HydrophobicContact CD2-CG 4.36Å
253	K	83.4	Confident	94.8	Very high	100 Å²	100	39.4 Å²	39.4	44%	0.435	21%	0.208	S	C	.	.			trans	-111.5	153.8	-173.2	-57.9	-170.4	177.1	-173.2	0	112.4	P227 S251 C255	P227-K253 WeakPolarHBondContact CG-O 3.48Å; S251-K253 WeakPolarHBondContact O-CG 3.28Å; S251-K253 PolarHBondContact O-N 3.21Å; K253-C255 VanDerWaalsContact C-N 3.29Å; K253-C255 PolarHBondContact O-N 3.13Å
254	H	85.9	Confident	94.8	Very high	127 Å²	127	39.4 Å²	39.4	59%	0.588	21%	0.208	S	C	*	.	S	Bend	trans	54.1	40.1	170.8	-50.4	-75.9	0	0	0	114.1	P227 E643	P227-H254 HydrophobicContact CG-CB 3.97Å; P227-H254 WeakPolarHBondContact CG-O 3.48Å; H254-E643 IonicContact CE1-OE1 2.85Å; H254-E643 IonicContact ND1-OE1 3.66Å; H254-E643 PolarHBondContact ND1-OE1 3.45Å; H254-E643 VanDerWaalsContact ND1-OE1 3.11Å
255	C	91.7	Very high	94.8	Very high	23 Å²	23	39.1 Å²	39.1	16%	0.155	21%	0.205	C	C	.	.			trans	-135.5	125.7	172.4	-73.3	0	0	0	0	109.4	K253 L260	K253-C255 VanDerWaalsContact C-N 3.29Å; K253-C255 PolarHBondContact O-N 3.13Å; C255-L260 HydrophobicContact CB-CD2 3.7Å; C255-L260 HydrophobicContact CB-CG 4.06Å
256	T	93.4	Very high	94.8	Very high	72 Å²	72	41.1 Å²	41.1	44%	0.442	21%	0.21	S	C	.	.			trans	-73.5	153.6	169.9	63.8	0	0	0	0	110.3	L258 E259 L260	T256-L258 PolarHBondContact O-N 3.48Å; T256-E259 WeakPolarHBondContact CB-OE2 3.21Å; T256-E259 PolarHBondContact N-OE2 2.81Å; T256-E259 PolarHBondContact O-N 2.72Å; T256-E259 VanDerWaalsContact O-N 3.11Å; T256-E259 VanDerWaalsContact OG1-CD 3.26Å; T256-E259 VanDerWaalsContact OG1-CG 3.23Å; T256-E259 WeakPolarHBondContact OG1-CG 3.47Å; T256-E259 PolarHBondContact OG1-N 3.43Å; T256-E259 PolarHBondContact OG1-OE2 3.06Å; T256-L260 WeakPolarHBondContact O-CG 3.41Å; T256-L260 PolarHBondContact O-N 2.72Å; T256-L260 VanDerWaalsContact O-N 3.11Å
257	E	95.9	Very high	94.8	Very high	15 Å²	15	41.4 Å²	41.4	7%	0.07	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-31.4	176.6	-65.8	-62.8	149.2	0	0	112	L260 F261 R286 L289 M290 R339	E257-L260 PolarHBondContact O-N 2.99Å; E257-F261 WeakPolarHBondContact O-CB 3.46Å; E257-F261 PolarHBondContact O-N 2.81Å; E257-R286 HydrophobicContact CG-CB 3.91Å; E257-R286 PolarHBondContact OE2-N 2.89Å; E257-L289 HydrophobicContact CG-CB 4.11Å; E257-L289 HydrophobicContact CG-CD1 4.14Å; E257-M290 VanDerWaalsContact C-CE 3.47Å; E257-M290 HydrophobicContact CB-CE 3.78Å; E257-M290 HydrophobicContact CB-CG 4.04Å; E257-M290 VanDerWaalsContact O-CE 3.29Å; E257-M290 WeakPolarHBondContact O-CE 3.14Å; E257-R339 IonicContact OE1-CZ 3.47Å; E257-R339 VanDerWaalsContact OE1-CZ 3.25Å; E257-R339 IonicContact OE1-NE 2.72Å; E257-R339 PolarHBondContact OE1-NE 2.9Å; E257-R339 IonicContact OE1-NH2 2.8Å; E257-R339 PolarHBondContact OE1-NH2 3.21Å; E257-R339 IonicContact OE2-NH2 2.61Å; E257-R339 PolarHBondContact OE2-NH2 3.37Å; E257-R339 VanDerWaalsContact OE2-NH2 3.1Å
258	L	96.7	Very high	94.9	Very high	16 Å²	16	41.4 Å²	41.4	8%	0.084	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-42.1	176.2	-179.4	64.6	0	0	0	111.9	T256 F261 K262 E294 Y298	T256-L258 PolarHBondContact O-N 3.48Å; L258-F261 PolarHBondContact O-N 3.19Å; L258-K262 HydrophobicContact CD1-CD 4.47Å; L258-K262 HydrophobicContact CG-CD 4.22Å; L258-K262 WeakPolarHBondContact O-CB 3.44Å; L258-K262 WeakPolarHBondContact O-CG 3.39Å; L258-K262 PolarHBondContact O-N 3.44Å; L258-E294 HydrophobicContact CD1-CB 4.43Å; L258-E294 HydrophobicContact CD2-CB 4.44Å; L258-E294 HydrophobicContact CD2-CG 3.91Å; L258-E294 WeakPolarHBondContact CD2-OE1 3.25Å; L258-Y298 HydrophobicContact CD1-CD2 3.92Å; L258-Y298 HydrophobicContact CD1-CG 4.02Å; L258-Y298 HydrophobicContact CD2-CD2 3.88Å; L258-Y298 HydrophobicContact CD2-CE2 4.1Å
259	E	96.1	Very high	94.8	Very high	89 Å²	89	46.2 Å²	46.2	42%	0.416	22%	0.22	S	C	.	.	H	α-helix	trans	-64.2	-42.3	175.6	-72.2	163.7	138.1	0	0	111.2	T256 F261 K262 A263	T256-E259 WeakPolarHBondContact CB-OE2 3.21Å; T256-E259 PolarHBondContact N-OE2 2.81Å; T256-E259 PolarHBondContact O-N 2.72Å; T256-E259 VanDerWaalsContact O-N 3.11Å; T256-E259 VanDerWaalsContact OG1-CD 3.26Å; T256-E259 VanDerWaalsContact OG1-CG 3.23Å; T256-E259 WeakPolarHBondContact OG1-CG 3.47Å; T256-E259 PolarHBondContact OG1-N 3.43Å; T256-E259 PolarHBondContact OG1-OE2 3.06Å; E259-F261 PolarHBondContact O-N 3.46Å; E259-K262 PolarHBondContact O-N 3.01Å; E259-A263 VanDerWaalsContact O-CB 3.26Å; E259-A263 WeakPolarHBondContact O-CB 3.35Å; E259-A263 PolarHBondContact O-N 3.4Å
260	L	97.2	Very high	94.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-41.6	175.9	-61.1	-178	0	0	0	111.9	F226 L247 L252 C255 T256 E257 A263 T264 I285	F226-L260 HydrophobicContact CD1-CD2 4Å; F226-L260 HydrophobicContact CE1-CD2 3.68Å; L247-L260 HydrophobicContact CD2-CB 3.97Å; L247-L260 HydrophobicContact CD2-CD1 4.42Å; L247-L260 HydrophobicContact CD2-CD2 4.14Å; L247-L260 HydrophobicContact CD2-CG 4.39Å; L252-L260 HydrophobicContact CD2-CD1 3.71Å; L252-L260 HydrophobicContact CD2-CD2 3.72Å; L252-L260 HydrophobicContact CD2-CG 4.36Å; C255-L260 HydrophobicContact CB-CD2 3.7Å; C255-L260 HydrophobicContact CB-CG 4.06Å; T256-L260 WeakPolarHBondContact O-CG 3.41Å; T256-L260 PolarHBondContact O-N 2.72Å; T256-L260 VanDerWaalsContact O-N 3.11Å; E257-L260 PolarHBondContact O-N 2.99Å; L260-A263 PolarHBondContact O-N 3.43Å; L260-T264 WeakPolarHBondContact O-CB 3.28Å; L260-T264 PolarHBondContact O-N 3.31Å; L260-T264 PolarHBondContact O-OG1 3.27Å; L260-I285 HydrophobicContact CB-CD1 3.65Å
261	F	98.2	Very high	94.6	Very high	4 Å²	4	52 Å²	52	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-49.6	174.1	172.5	-106	0	0	0	111.9	E257 L258 E259 A263 T264 C265 M282 I285 F287 M290 V299 V302 M305	E257-F261 WeakPolarHBondContact O-CB 3.46Å; E257-F261 PolarHBondContact O-N 2.81Å; L258-F261 PolarHBondContact O-N 3.19Å; E259-F261 PolarHBondContact O-N 3.46Å; F261-A263 VanDerWaalsContact C-N 3.35Å; F261-A263 PolarHBondContact O-N 3.43Å; F261-T264 PolarHBondContact O-N 3.39Å; F261-C265 VanDerWaalsContact CZ-SG 3.59Å; F261-C265 PolarHBondContact O-N 3.22Å; F261-C265 PolarHBondContact O-SG 3.38Å; F261-M282 HydrophobicContact CD2-CE 3.79Å; F261-M282 HydrophobicContact CD2-SD 3.69Å; F261-M282 HydrophobicContact CE2-CE 3.63Å; F261-M282 HydrophobicContact CE2-SD 3.86Å; F261-I285 HydrophobicContact CB-CG2 4.24Å; F261-F287 AromaticContact CD2-CE1 3.54Å; F261-F287 HydrophobicContact CD2-CE1 3.54Å; F261-F287 AromaticContact CD2-CZ 3.79Å; F261-F287 HydrophobicContact CD2-CZ 3.79Å; F261-F287 AromaticContact CE2-CE1 3.93Å; F261-F287 HydrophobicContact CE2-CE1 3.93Å; F261-F287 HydrophobicContact CE2-CZ 4.12Å; F261-F287 HydrophobicContact CG-CE1 4.17Å; F261-M290 HydrophobicContact CB-CE 3.81Å; F261-M290 HydrophobicContact CG-CE 4.43Å; F261-V299 HydrophobicContact CD1-CG2 3.95Å; F261-V299 HydrophobicContact CE1-CB 4.21Å; F261-V299 HydrophobicContact CE1-CG1 4.44Å; F261-V299 HydrophobicContact CE1-CG2 3.9Å; F261-V299 HydrophobicContact CE2-CG1 4.06Å; F261-V299 HydrophobicContact CG-CG2 4.33Å; F261-V299 HydrophobicContact CZ-CB 4.17Å; F261-V299 HydrophobicContact CZ-CG1 3.93Å; F261-V299 HydrophobicContact CZ-CG2 4.21Å; F261-V302 HydrophobicContact CE1-CG2 4.07Å; F261-V302 HydrophobicContact CZ-CB 4.21Å; F261-V302 HydrophobicContact CZ-CG2 3.73Å; F261-M305 HydrophobicContact CE2-CG 4.04Å; F261-M305 HydrophobicContact CE2-SD 3.98Å; F261-M305 HydrophobicContact CZ-CG 4.12Å
262	K	97.1	Very high	94.4	Very high	85 Å²	85	56.5 Å²	56.5	37%	0.37	26%	0.26	S	S	.	.	H	α-helix	trans	-60.7	-44.2	178	-74.8	173.1	178	171.9	0	111.2	L258 E259 C265 R266	L258-K262 HydrophobicContact CD1-CD 4.47Å; L258-K262 HydrophobicContact CG-CD 4.22Å; L258-K262 WeakPolarHBondContact O-CB 3.44Å; L258-K262 WeakPolarHBondContact O-CG 3.39Å; L258-K262 PolarHBondContact O-N 3.44Å; E259-K262 PolarHBondContact O-N 3.01Å; K262-C265 PolarHBondContact O-N 2.84Å; K262-R266 WeakPolarHBondContact O-CG 3.45Å; K262-R266 PolarHBondContact O-N 2.8Å
263	A	96.9	Very high	94.5	Very high	2 Å²	2	60.4 Å²	60.4	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-46	176.2	0	0	0	0	0	111.7	L230 F235 E259 L260 F261 C265 R266 W267	L230-A263 HydrophobicContact CD2-CB 3.4Å; L230-A263 VanDerWaalsContact CD2-CB 3.4Å; F235-A263 HydrophobicContact CE2-CB 4.09Å; F235-A263 WeakPolarHBondContact CE2-O 3.39Å; F235-A263 HydrophobicContact CZ-CB 4.43Å; E259-A263 VanDerWaalsContact O-CB 3.26Å; E259-A263 WeakPolarHBondContact O-CB 3.35Å; E259-A263 PolarHBondContact O-N 3.4Å; L260-A263 PolarHBondContact O-N 3.43Å; F261-A263 VanDerWaalsContact C-N 3.35Å; F261-A263 PolarHBondContact O-N 3.43Å; A263-C265 VanDerWaalsContact C-N 3.34Å; A263-C265 PolarHBondContact O-N 3.29Å; A263-R266 WeakPolarHBondContact O-CB 3.49Å; A263-R266 PolarHBondContact O-N 3.48Å; A263-R266 VanDerWaalsContact O-N 3.13Å; A263-W267 PolarHBondContact O-N 3.35Å
264	T	97.8	Very high	95.1	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-43.7	177.1	-57	0	0	0	0	111.1	L247 L260 F261 R266 W267 L268 L281 M282	L247-T264 HydrophobicContact CD1-CG2 4.31Å; L247-T264 WeakPolarHBondContact CD1-OG1 3.36Å; L260-T264 WeakPolarHBondContact O-CB 3.28Å; L260-T264 PolarHBondContact O-N 3.31Å; L260-T264 PolarHBondContact O-OG1 3.27Å; F261-T264 PolarHBondContact O-N 3.39Å; T264-R266 VanDerWaalsContact C-N 3.34Å; T264-R266 PolarHBondContact O-N 3.25Å; T264-W267 PolarHBondContact O-N 2.72Å; T264-L268 HydrophobicContact CG2-CD1 4.05Å; T264-L268 HydrophobicContact CG2-CG 4.44Å; T264-L268 VanDerWaalsContact O-CG 3.29Å; T264-L268 WeakPolarHBondContact O-CG 3.46Å; T264-L268 PolarHBondContact O-N 2.88Å; T264-L281 HydrophobicContact CG2-CB 3.68Å; T264-L281 HydrophobicContact CG2-CD1 3.95Å; T264-L281 HydrophobicContact CG2-CG 4.44Å; T264-M282 HydrophobicContact CG2-CE 3.83Å; T264-M282 HydrophobicContact CG2-SD 4.25Å
265	C	97.1	Very high	95.5	Very high	9 Å²	9	53.9 Å²	53.9	6%	0.061	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-41	174.5	-68.5	0	0	0	0	112.4	F261 K262 A263 L268 R269	F261-C265 VanDerWaalsContact CZ-SG 3.59Å; F261-C265 PolarHBondContact O-N 3.22Å; F261-C265 PolarHBondContact O-SG 3.38Å; K262-C265 PolarHBondContact O-N 2.84Å; A263-C265 VanDerWaalsContact C-N 3.34Å; A263-C265 PolarHBondContact O-N 3.29Å; C265-L268 PolarHBondContact O-N 3.4Å; C265-R269 WeakPolarHBondContact O-CB 3.43Å; C265-R269 VanDerWaalsContact O-CG 3.28Å; C265-R269 WeakPolarHBondContact O-CG 3.33Å; C265-R269 PolarHBondContact O-N 3.17Å; C265-R269 VanDerWaalsContact O-N 3.11Å
266	R	96.6	Very high	95.7	Very high	127 Å²	127	59.2 Å²	59.2	48%	0.479	28%	0.283	S	S	.	.	H	α-helix	trans	-63.7	-41.6	175.2	-69.1	-169.9	-59.7	-173.1	8.4	111.8	L230 F235 L236 K262 A263 T264 R269 L270	L230-R266 PolarHBondContact O-NH2 2.8Å; F235-R266 HydrophobicContact CZ-CB 4.14Å; L236-R266 HydrophobicContact CD2-CB 4.17Å; K262-R266 WeakPolarHBondContact O-CG 3.45Å; K262-R266 PolarHBondContact O-N 2.8Å; A263-R266 WeakPolarHBondContact O-CB 3.49Å; A263-R266 PolarHBondContact O-N 3.48Å; A263-R266 VanDerWaalsContact O-N 3.13Å; T264-R266 VanDerWaalsContact C-N 3.34Å; T264-R266 PolarHBondContact O-N 3.25Å; R266-R269 PolarHBondContact O-N 2.99Å; R266-L270 PolarHBondContact O-N 3.48Å
267	W	97.4	Very high	95.8	Very high	6 Å²	6	58.8 Å²	58.8	2%	0.023	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-41.2	177.9	-175.3	97.2	0	0	0	112.4	F235 L236 L238 F240 L243 A263 T264 L270 R274 F277 L281	F235-W267 HydrophobicContact CE2-CB 4.31Å; L236-W267 HydrophobicContact CD2-CB 4.36Å; L238-W267 PolarHBondContact O-NE1 3.35Å; F240-W267 HydrophobicContact CB-CH2 4.06Å; F240-W267 HydrophobicContact CB-CZ2 4.39Å; L243-W267 HydrophobicContact CD2-CB 3.95Å; L243-W267 HydrophobicContact CD2-CD2 3.54Å; L243-W267 HydrophobicContact CD2-CE3 4.04Å; L243-W267 HydrophobicContact CD2-CG 3.48Å; L243-W267 VanDerWaalsContact CD2-CG 3.48Å; A263-W267 PolarHBondContact O-N 3.35Å; T264-W267 PolarHBondContact O-N 2.72Å; W267-L270 PolarHBondContact O-N 3.48Å; W267-R274 VanDerWaalsContact CE2-NH1 3.3Å; W267-R274 HydrophobicContact CE3-CB 4.25Å; W267-R274 HydrophobicContact CE3-CG 4.47Å; W267-R274 HydrophobicContact CH2-CB 4.18Å; W267-R274 HydrophobicContact CH2-CG 3.86Å; W267-R274 HydrophobicContact CZ2-CG 4.43Å; W267-R274 HydrophobicContact CZ3-CB 3.72Å; W267-R274 HydrophobicContact CZ3-CG 3.89Å; W267-R274 VanDerWaalsContact NE1-NH1 3.16Å; W267-R274 WeakPolarHBondContact O-CD 3.31Å; W267-R274 PolarHBondContact O-NH1 3.06Å; W267-F277 HydrophobicContact CH2-CD2 4.12Å; W267-F277 HydrophobicContact CZ3-CB 4.43Å; W267-F277 HydrophobicContact CZ3-CD2 4.29Å; W267-L281 HydrophobicContact CE3-CD1 3.69Å; W267-L281 HydrophobicContact CZ3-CD1 3.67Å
268	L	97.1	Very high	95.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.8	-38.2	178.2	-72.5	168.2	0	0	0	112.5	T264 C265 L270 R274 M275 F277 A278 L281 M282 F304	T264-L268 HydrophobicContact CG2-CD1 4.05Å; T264-L268 HydrophobicContact CG2-CG 4.44Å; T264-L268 VanDerWaalsContact O-CG 3.29Å; T264-L268 WeakPolarHBondContact O-CG 3.46Å; T264-L268 PolarHBondContact O-N 2.88Å; C265-L268 PolarHBondContact O-N 3.4Å; L268-L270 VanDerWaalsContact C-N 3.25Å; L268-L270 PolarHBondContact O-N 2.69Å; L268-R274 HydrophobicContact CD2-CB 4.46Å; L268-R274 WeakPolarHBondContact CD2-O 3.48Å; L268-M275 HydrophobicContact CB-CE 4.34Å; L268-M275 HydrophobicContact CB-SD 4.01Å; L268-F277 HydrophobicContact CD2-CB 4.49Å; L268-A278 HydrophobicContact CD1-CB 3.88Å; L268-A278 HydrophobicContact CD2-CB 4.16Å; L268-L281 HydrophobicContact CD2-CD1 4.08Å; L268-L281 HydrophobicContact CG-CD1 4.44Å; L268-M282 HydrophobicContact CD1-CE 3.96Å; L268-F304 HydrophobicContact CD1-CE1 4.31Å; L268-F304 HydrophobicContact CD1-CZ 3.87Å
269	R	95.4	Very high	95.9	Very high	161 Å²	161	58.5 Å²	58.5	61%	0.608	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.8	-178.4	-70.1	175.2	-172.2	-177.9	2.6	114.3	C265 R266 M275	C265-R269 WeakPolarHBondContact O-CB 3.43Å; C265-R269 VanDerWaalsContact O-CG 3.28Å; C265-R269 WeakPolarHBondContact O-CG 3.33Å; C265-R269 PolarHBondContact O-N 3.17Å; C265-R269 VanDerWaalsContact O-N 3.11Å; R266-R269 PolarHBondContact O-N 2.99Å; R269-M275 HydrophobicContact CB-CE 4.41Å; R269-M275 HydrophobicContact CG-CE 3.69Å
270	L	93.8	Very high	96	Very high	87 Å²	87	60 Å²	60	46%	0.455	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-39.9	-178.6	-169.6	70	0	0	0	111.9	L236 R266 W267 L268	L236-L270 HydrophobicContact CB-CD2 4.15Å; R266-L270 PolarHBondContact O-N 3.48Å; W267-L270 PolarHBondContact O-N 3.48Å; L268-L270 VanDerWaalsContact C-N 3.25Å; L268-L270 PolarHBondContact O-N 2.69Å
271	E	91.6	Very high	96.1	Very high	97 Å²	97	60 Å²	60	45%	0.453	28%	0.283	S	S	.	.	S	Bend	trans	-142.5	130.4	-176	-66.1	163.4	-165.8	0	0	108.8	P273 R274	E271-P273 VanDerWaalsContact C-CD 3.4Å; E271-R274 HydrophobicContact CB-CG 4.08Å; E271-R274 VanDerWaalsContact CD-NE 3.32Å; E271-R274 VanDerWaalsContact O-CB 3.3Å; E271-R274 WeakPolarHBondContact O-CB 3.41Å; E271-R274 PolarHBondContact O-N 3.04Å; E271-R274 IonicContact OE1-CZ 2.65Å; E271-R274 IonicContact OE1-NE 3.02Å; E271-R274 IonicContact OE1-NH2 3.79Å; E271-R274 PolarHBondContact OE1-NH2 3.4Å; E271-R274 IonicContact OE2-CZ 3.78Å; E271-R274 IonicContact OE2-NE 2.64Å; E271-R274 PolarHBondContact OE2-NE 3.24Å; E271-R274 IonicContact OE2-NH2 2.84Å; E271-R274 PolarHBondContact OE2-NH2 2.91Å
272	E	89.2	Confident	96	Very high	161 Å²	161	59.8 Å²	59.8	75%	0.752	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-48.8	-44.3	-178.6	-70.7	-65.8	154.7	0	0	114.5	R274 M275	E272-R274 PolarHBondContact O-N 3.42Å; E272-M275 WeakPolarHBondContact O-CB 3.3Å; E272-M275 PolarHBondContact O-N 3.35Å; E272-M275 VanDerWaalsContact O-N 3.12Å
273	P	94.9	Very high	96	Very high	88 Å²	88	60.8 Å²	60.8	57%	0.571	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-62	-18.2	179.6	-22.9	34.8	0	0	0	114.2	E271 M275 D276	E271-P273 VanDerWaalsContact C-CD 3.4Å; P273-M275 PolarHBondContact O-N 2.91Å; P273-D276 PolarHBondContact O-N 3.2Å
274	R	96.1	Very high	96.1	Very high	27 Å²	27	62.7 Å²	62.7	10%	0.102	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-71	-21.3	179.9	-66.2	179.5	-173.5	-159.9	2.8	112.3	L236 W267 L268 E271 E272 D276 F277	L236-R274 PolarHBondContact O-NH1 3.48Å; W267-R274 VanDerWaalsContact CE2-NH1 3.3Å; W267-R274 HydrophobicContact CE3-CB 4.25Å; W267-R274 HydrophobicContact CE3-CG 4.47Å; W267-R274 HydrophobicContact CH2-CB 4.18Å; W267-R274 HydrophobicContact CH2-CG 3.86Å; W267-R274 HydrophobicContact CZ2-CG 4.43Å; W267-R274 HydrophobicContact CZ3-CB 3.72Å; W267-R274 HydrophobicContact CZ3-CG 3.89Å; W267-R274 VanDerWaalsContact NE1-NH1 3.16Å; W267-R274 WeakPolarHBondContact O-CD 3.31Å; W267-R274 PolarHBondContact O-NH1 3.06Å; L268-R274 HydrophobicContact CD2-CB 4.46Å; L268-R274 WeakPolarHBondContact CD2-O 3.48Å; E271-R274 HydrophobicContact CB-CG 4.08Å; E271-R274 VanDerWaalsContact CD-NE 3.32Å; E271-R274 VanDerWaalsContact O-CB 3.3Å; E271-R274 WeakPolarHBondContact O-CB 3.41Å; E271-R274 PolarHBondContact O-N 3.04Å; E271-R274 IonicContact OE1-CZ 2.65Å; E271-R274 IonicContact OE1-NE 3.02Å; E271-R274 IonicContact OE1-NH2 3.79Å; E271-R274 PolarHBondContact OE1-NH2 3.4Å; E271-R274 IonicContact OE2-CZ 3.78Å; E271-R274 IonicContact OE2-NE 2.64Å; E271-R274 PolarHBondContact OE2-NE 3.24Å; E271-R274 IonicContact OE2-NH2 2.84Å; E271-R274 PolarHBondContact OE2-NH2 2.91Å; E272-R274 PolarHBondContact O-N 3.42Å; R274-D276 PolarHBondContact O-N 3.12Å; R274-F277 WeakPolarHBondContact O-CB 3.28Å; R274-F277 PolarHBondContact O-N 3.27Å
275	M	95.4	Very high	96.1	Very high	63 Å²	63	62.7 Å²	62.7	31%	0.31	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-59.6	-27.4	178.1	-70.3	-62.3	-178.5	0	0	112.8	L268 R269 E272 P273 F277 A278 F304	L268-M275 HydrophobicContact CB-CE 4.34Å; L268-M275 HydrophobicContact CB-SD 4.01Å; R269-M275 HydrophobicContact CB-CE 4.41Å; R269-M275 HydrophobicContact CG-CE 3.69Å; E272-M275 WeakPolarHBondContact O-CB 3.3Å; E272-M275 PolarHBondContact O-N 3.35Å; E272-M275 VanDerWaalsContact O-N 3.12Å; P273-M275 PolarHBondContact O-N 2.91Å; M275-F277 PolarHBondContact O-N 3.48Å; M275-F277 VanDerWaalsContact O-N 3.11Å; M275-A278 WeakPolarHBondContact O-CB 3.35Å; M275-A278 PolarHBondContact O-N 2.73Å; M275-F304 HydrophobicContact SD-CD1 4.46Å
276	D	95.3	Very high	96.1	Very high	134 Å²	134	63.1 Å²	63.1	72%	0.717	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-61.3	-20	173.8	-67.4	-16.6	0	0	0	113	P273 R274	P273-D276 PolarHBondContact O-N 3.2Å; R274-D276 PolarHBondContact O-N 3.12Å
277	F	96.9	Very high	96.2	Very high	64 Å²	64	57.1 Å²	57.1	28%	0.281	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-92.7	-4.2	176.7	-56.5	-64.9	0	0	0	113.8	F240 W267 L268 R274 M275 A279 K280 L281	F240-F277 HydrophobicContact CD1-CD1 4.28Å; F240-F277 HydrophobicContact CD1-CE1 4.33Å; F240-F277 HydrophobicContact CD2-CB 3.68Å; F240-F277 AromaticContact CD2-CD1 3.61Å; F240-F277 HydrophobicContact CD2-CD1 3.61Å; F240-F277 HydrophobicContact CD2-CD2 4.29Å; F240-F277 HydrophobicContact CD2-CE1 4.34Å; F240-F277 AromaticContact CD2-CG 3.59Å; F240-F277 HydrophobicContact CD2-CG 3.59Å; F240-F277 HydrophobicContact CE1-CD1 4.39Å; F240-F277 HydrophobicContact CE2-CB 3.78Å; F240-F277 AromaticContact CE2-CD1 3.72Å; F240-F277 HydrophobicContact CE2-CD1 3.72Å; F240-F277 AromaticContact CE2-CG 3.95Å; F240-F277 HydrophobicContact CE2-CG 3.95Å; F240-F277 AromaticContact CG-CD1 3.91Å; F240-F277 HydrophobicContact CG-CD1 3.91Å; F240-F277 HydrophobicContact CG-CE1 4.18Å; F240-F277 HydrophobicContact CG-CG 4.15Å; F240-F277 HydrophobicContact CZ-CD1 4.12Å; W267-F277 HydrophobicContact CH2-CD2 4.12Å; W267-F277 HydrophobicContact CZ3-CB 4.43Å; W267-F277 HydrophobicContact CZ3-CD2 4.29Å; L268-F277 HydrophobicContact CD2-CB 4.49Å; R274-F277 WeakPolarHBondContact O-CB 3.28Å; R274-F277 PolarHBondContact O-N 3.27Å; M275-F277 PolarHBondContact O-N 3.48Å; M275-F277 VanDerWaalsContact O-N 3.11Å; F277-A279 PolarHBondContact O-N 2.95Å; F277-K280 HydrophobicContact CD1-CD 4.35Å; F277-K280 PolarHBondContact O-N 2.81Å; F277-L281 HydrophobicContact CB-CD1 4.44Å; F277-L281 PolarHBondContact O-N 2.63Å
278	A	97	Very high	96.2	Very high	7 Å²	7	56.8 Å²	56.8	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-53.9	-55.7	-172.7	0	0	0	0	0	112.1	L268 M275 K280 L281 M282 F304	L268-A278 HydrophobicContact CD1-CB 3.88Å; L268-A278 HydrophobicContact CD2-CB 4.16Å; M275-A278 WeakPolarHBondContact O-CB 3.35Å; M275-A278 PolarHBondContact O-N 2.73Å; A278-K280 VanDerWaalsContact C-N 3.25Å; A278-K280 PolarHBondContact O-N 3.18Å; A278-L281 PolarHBondContact O-N 3.32Å; A278-M282 WeakPolarHBondContact O-CB 3.48Å; A278-M282 VanDerWaalsContact O-CG 3.26Å; A278-M282 WeakPolarHBondContact O-CG 3.41Å; A278-M282 PolarHBondContact O-N 2.86Å; A278-F304 HydrophobicContact CB-CD2 4.11Å; A278-F304 HydrophobicContact CB-CE2 4.21Å; A278-F304 HydrophobicContact CB-CG 4.45Å
279	A	97.3	Very high	96.1	Very high	18 Å²	18	58 Å²	58	15%	0.149	28%	0.279	C	S	.	.	H	α-helix	trans	-59.2	-34.7	178.7	0	0	0	0	0	113.1	F277 K283 T310	F277-A279 PolarHBondContact O-N 2.95Å; A279-K283 WeakPolarHBondContact O-CG 3.33Å; A279-K283 PolarHBondContact O-N 3.01Å; A279-T310 HydrophobicContact CB-CG2 4.22Å
280	K	97.8	Very high	96.1	Very high	119 Å²	119	50.5 Å²	50.5	52%	0.517	25%	0.251	S	S	.	.	H	α-helix	trans	-72	-41	-179.8	-66.4	176.1	-177.2	168	0	111.9	F240 F277 A278	F240-K280 HydrophobicContact CE2-CB 4.03Å; F240-K280 HydrophobicContact CZ-CB 3.98Å; F240-K280 HydrophobicContact CZ-CD 4.03Å; F277-K280 HydrophobicContact CD1-CD 4.35Å; F277-K280 PolarHBondContact O-N 2.81Å; A278-K280 VanDerWaalsContact C-N 3.25Å; A278-K280 PolarHBondContact O-N 3.18Å
281	L	98.1	Very high	96.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-73.5	-40.8	177.4	-66.8	176.5	0	0	0	111.7	F240 L243 A244 L247 T264 W267 L268 F277 A278 K283 N284	F240-L281 HydrophobicContact CD2-CD1 4.42Å; F240-L281 HydrophobicContact CD2-CD2 3.83Å; F240-L281 HydrophobicContact CD2-CG 4.1Å; F240-L281 HydrophobicContact CE2-CD2 3.65Å; F240-L281 HydrophobicContact CE2-CG 3.87Å; L243-L281 HydrophobicContact CD2-CD1 3.95Å; L243-L281 HydrophobicContact CD2-CD2 4.42Å; L243-L281 HydrophobicContact CG-CD2 4.31Å; A244-L281 HydrophobicContact CB-CD2 3.87Å; L247-L281 HydrophobicContact CD1-CB 4.32Å; L247-L281 HydrophobicContact CD1-CD2 4.16Å; T264-L281 HydrophobicContact CG2-CB 3.68Å; T264-L281 HydrophobicContact CG2-CD1 3.95Å; T264-L281 HydrophobicContact CG2-CG 4.44Å; W267-L281 HydrophobicContact CE3-CD1 3.69Å; W267-L281 HydrophobicContact CZ3-CD1 3.67Å; L268-L281 HydrophobicContact CD2-CD1 4.08Å; L268-L281 HydrophobicContact CG-CD1 4.44Å; F277-L281 HydrophobicContact CB-CD1 4.44Å; F277-L281 PolarHBondContact O-N 2.63Å; A278-L281 PolarHBondContact O-N 3.32Å; L281-K283 PolarHBondContact O-N 3.44Å; L281-N284 WeakPolarHBondContact O-CB 3.43Å; L281-N284 PolarHBondContact O-N 3.33Å
282	M	97.9	Very high	96.3	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-29.2	-178.7	-69.2	-50.8	172.4	0	0	113	F261 T264 L268 A278 N284 I285 F287 F304 M305 L314	F261-M282 HydrophobicContact CD2-CE 3.79Å; F261-M282 HydrophobicContact CD2-SD 3.69Å; F261-M282 HydrophobicContact CE2-CE 3.63Å; F261-M282 HydrophobicContact CE2-SD 3.86Å; T264-M282 HydrophobicContact CG2-CE 3.83Å; T264-M282 HydrophobicContact CG2-SD 4.25Å; L268-M282 HydrophobicContact CD1-CE 3.96Å; A278-M282 WeakPolarHBondContact O-CB 3.48Å; A278-M282 VanDerWaalsContact O-CG 3.26Å; A278-M282 WeakPolarHBondContact O-CG 3.41Å; A278-M282 PolarHBondContact O-N 2.86Å; M282-N284 PolarHBondContact O-N 2.71Å; M282-N284 VanDerWaalsContact O-N 3.14Å; M282-I285 PolarHBondContact O-N 2.92Å; M282-I285 HydrophobicContact SD-CG1 4.19Å; M282-F287 HydrophobicContact CB-CE2 4.24Å; M282-F287 HydrophobicContact CB-CZ 4.37Å; M282-F287 WeakPolarHBondContact O-CE2 3.26Å; M282-F287 HydrophobicContact SD-CZ 3.88Å; M282-F304 HydrophobicContact CE-CE2 3.49Å; M282-F304 VanDerWaalsContact CE-CE2 3.49Å; M282-F304 HydrophobicContact CE-CZ 3.44Å; M282-F304 VanDerWaalsContact CE-CZ 3.44Å; M282-F304 HydrophobicContact CG-CE2 4.03Å; M282-M305 HydrophobicContact CG-SD 4Å; M282-M305 HydrophobicContact SD-SD 4.33Å; M282-L314 HydrophobicContact CB-CD1 3.82Å
283	K	97.3	Very high	96.6	Very high	106 Å²	106	46.3 Å²	46.3	46%	0.461	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.8	172.5	-77.7	178	-172.8	-170.1	0	113.9	A279 L281 T310 L314	A279-K283 WeakPolarHBondContact O-CG 3.33Å; A279-K283 PolarHBondContact O-N 3.01Å; L281-K283 PolarHBondContact O-N 3.44Å; K283-T310 HydrophobicContact CD-CG2 4.29Å; K283-T310 HydrophobicContact CG-CG2 4.05Å; K283-L314 HydrophobicContact CG-CD1 4.35Å
284	N	97.9	Very high	96.8	Very high	43 Å²	43	44.4 Å²	44.4	23%	0.23	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-8.9	-179.9	-60.6	-36.3	0	0	0	112.9	L247 L281 M282 R339	L247-N284 HydrophobicContact CB-CB 3.67Å; L281-N284 WeakPolarHBondContact O-CB 3.43Å; L281-N284 PolarHBondContact O-N 3.33Å; M282-N284 PolarHBondContact O-N 2.71Å; M282-N284 VanDerWaalsContact O-N 3.14Å; N284-R339 PolarHBondContact O-NH2 2.93Å
285	I	97.8	Very high	96.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-86.7	132.3	173.9	-54.9	-60.1	0	0	0	109.4	L247 L260 F261 M282 F287 M290	L247-I285 HydrophobicContact CD1-CD1 4.23Å; L247-I285 HydrophobicContact CD2-CD1 3.79Å; L247-I285 HydrophobicContact CG-CD1 4.44Å; L260-I285 HydrophobicContact CB-CD1 3.65Å; F261-I285 HydrophobicContact CB-CG2 4.24Å; M282-I285 PolarHBondContact O-N 2.92Å; M282-I285 HydrophobicContact SD-CG1 4.19Å; I285-F287 VanDerWaalsContact C-N 3.34Å; I285-F287 HydrophobicContact CB-CD2 4.26Å; I285-F287 HydrophobicContact CB-CE1 4.42Å; I285-F287 HydrophobicContact CB-CE2 3.79Å; I285-F287 HydrophobicContact CB-CZ 3.88Å; I285-F287 HydrophobicContact CG2-CD1 4.05Å; I285-F287 HydrophobicContact CG2-CD2 4.22Å; I285-F287 HydrophobicContact CG2-CE1 3.82Å; I285-F287 HydrophobicContact CG2-CE2 4.01Å; I285-F287 HydrophobicContact CG2-CG 4.25Å; I285-F287 HydrophobicContact CG2-CZ 3.81Å; I285-F287 WeakPolarHBondContact O-CD2 3.43Å; I285-F287 PolarHBondContact O-N 3.27Å; I285-M290 HydrophobicContact CG2-CE 3.65Å
286	R	97.4	Very high	96.9	Very high	18 Å²	18	44.9 Å²	44.9	7%	0.068	23%	0.226	C	C	.	.			trans	-92.8	66.5	-177.1	-58.3	-173.6	-175.1	179	4.7	110.7	N250 E257 P288 L289 D334 R335 A337 I338 R339	N250-R286 VanDerWaalsContact OD1-CZ 3.31Å; N250-R286 PolarHBondContact OD1-NH1 3.46Å; N250-R286 PolarHBondContact OD1-NH2 3.4Å; E257-R286 HydrophobicContact CG-CB 3.91Å; E257-R286 PolarHBondContact OE2-N 2.89Å; R286-P288 VanDerWaalsContact C-N 3.25Å; R286-P288 VanDerWaalsContact O-N 3.15Å; R286-L289 HydrophobicContact CB-CB 4.48Å; R286-L289 HydrophobicContact CB-CD1 3.66Å; R286-L289 HydrophobicContact CB-CG 3.85Å; R286-L289 HydrophobicContact CG-CD1 4.38Å; R286-L289 WeakPolarHBondContact O-CB 3.45Å; R286-L289 PolarHBondContact O-N 2.87Å; R286-D334 PolarHBondContact NE-O 2.75Å; R286-R335 VanDerWaalsContact CB-O 3.3Å; R286-R335 WeakPolarHBondContact CB-O 3.4Å; R286-A337 WeakPolarHBondContact CD-O 3.33Å; R286-A337 PolarHBondContact NH1-O 3.46Å; R286-I338 PolarHBondContact NH1-O 2.82Å; R286-R339 VanDerWaalsContact NH1-N 3.19Å
287	F	97.9	Very high	97	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-49.3	-36.5	178.7	-62.7	-76.1	0	0	0	114.7	F261 M282 I285 L289 M290 L295 V299 M305 L314 A318	F261-F287 AromaticContact CD2-CE1 3.54Å; F261-F287 HydrophobicContact CD2-CE1 3.54Å; F261-F287 AromaticContact CD2-CZ 3.79Å; F261-F287 HydrophobicContact CD2-CZ 3.79Å; F261-F287 AromaticContact CE2-CE1 3.93Å; F261-F287 HydrophobicContact CE2-CE1 3.93Å; F261-F287 HydrophobicContact CE2-CZ 4.12Å; F261-F287 HydrophobicContact CG-CE1 4.17Å; M282-F287 HydrophobicContact CB-CE2 4.24Å; M282-F287 HydrophobicContact CB-CZ 4.37Å; M282-F287 WeakPolarHBondContact O-CE2 3.26Å; M282-F287 HydrophobicContact SD-CZ 3.88Å; I285-F287 VanDerWaalsContact C-N 3.34Å; I285-F287 HydrophobicContact CB-CD2 4.26Å; I285-F287 HydrophobicContact CB-CE1 4.42Å; I285-F287 HydrophobicContact CB-CE2 3.79Å; I285-F287 HydrophobicContact CB-CZ 3.88Å; I285-F287 HydrophobicContact CG2-CD1 4.05Å; I285-F287 HydrophobicContact CG2-CD2 4.22Å; I285-F287 HydrophobicContact CG2-CE1 3.82Å; I285-F287 HydrophobicContact CG2-CE2 4.01Å; I285-F287 HydrophobicContact CG2-CG 4.25Å; I285-F287 HydrophobicContact CG2-CZ 3.81Å; I285-F287 WeakPolarHBondContact O-CD2 3.43Å; I285-F287 PolarHBondContact O-N 3.27Å; F287-L289 PolarHBondContact O-N 3.13Å; F287-M290 HydrophobicContact CD1-CE 3.56Å; F287-M290 HydrophobicContact CD1-SD 3.85Å; F287-M290 HydrophobicContact CE1-CE 3.9Å; F287-M290 HydrophobicContact CG-CE 4.45Å; F287-M290 WeakPolarHBondContact O-CB 3.37Å; F287-M290 PolarHBondContact O-N 3.49Å; F287-L295 HydrophobicContact CB-CD2 4.18Å; F287-L295 HydrophobicContact CD1-CD2 4.32Å; F287-V299 HydrophobicContact CD1-CG1 3.9Å; F287-V299 HydrophobicContact CD1-CG2 4.15Å; F287-V299 HydrophobicContact CE1-CG1 3.58Å; F287-V299 HydrophobicContact CE1-CG2 4.09Å; F287-V299 HydrophobicContact CZ-CG1 4.47Å; F287-M305 HydrophobicContact CE1-CE 4.02Å; F287-M305 HydrophobicContact CE2-CE 4.08Å; F287-M305 HydrophobicContact CZ-CE 3.63Å; F287-M305 HydrophobicContact CZ-SD 4.28Å; F287-L314 HydrophobicContact CD2-CB 3.97Å; F287-L314 HydrophobicContact CD2-CD1 4.48Å; F287-L314 HydrophobicContact CE2-CB 4.15Å; F287-L314 HydrophobicContact CE2-CD1 4.01Å; F287-A318 HydrophobicContact CB-CB 3.56Å
288	P	97.3	Very high	97	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-59.9	-15.3	174.8	-26	35.9	0	0	0	115.3	R286 E317 A318 Y321 Q322 T336	R286-P288 VanDerWaalsContact C-N 3.25Å; R286-P288 VanDerWaalsContact O-N 3.15Å; P288-E317 HydrophobicContact CG-CG 4.27Å; P288-A318 HydrophobicContact CG-CB 4.27Å; P288-Y321 HydrophobicContact CB-CD1 3.96Å; P288-Y321 HydrophobicContact CB-CG 3.94Å; P288-Q322 PolarHBondContact O-NE2 3.15Å; P288-T336 HydrophobicContact CB-CG2 3.79Å; P288-T336 HydrophobicContact CG-CG2 4.02Å
289	L	95.3	Very high	97	Very high	25 Å²	25	44.9 Å²	44.9	13%	0.131	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-87.8	-9.7	174.7	-55.9	-176.8	0	0	0	113.4	E257 R286 F287 T336 A337 R420 Y421	E257-L289 HydrophobicContact CG-CB 4.11Å; E257-L289 HydrophobicContact CG-CD1 4.14Å; R286-L289 HydrophobicContact CB-CB 4.48Å; R286-L289 HydrophobicContact CB-CD1 3.66Å; R286-L289 HydrophobicContact CB-CG 3.85Å; R286-L289 HydrophobicContact CG-CD1 4.38Å; R286-L289 WeakPolarHBondContact O-CB 3.45Å; R286-L289 PolarHBondContact O-N 2.87Å; F287-L289 PolarHBondContact O-N 3.13Å; L289-T336 VanDerWaalsContact CD2-O 3.26Å; L289-T336 WeakPolarHBondContact CD2-O 3.29Å; L289-A337 WeakPolarHBondContact CD1-O 3.34Å; L289-R420 VanDerWaalsContact CD2-CD 3.45Å; L289-R420 HydrophobicContact CD2-CG 4.22Å; L289-Y421 WeakPolarHBondContact O-CE1 3.23Å; L289-Y421 PolarHBondContact O-OH 2.67Å
290	M	95.9	Very high	97	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.015	23%	0.233	C	C	.	.	S	Bend	trans	-79.1	149.7	174.1	-60.9	180	-169.8	0	0	110.7	E257 F261 I285 F287 E294 L295 V299 Q322	E257-M290 VanDerWaalsContact C-CE 3.47Å; E257-M290 HydrophobicContact CB-CE 3.78Å; E257-M290 HydrophobicContact CB-CG 4.04Å; E257-M290 VanDerWaalsContact O-CE 3.29Å; E257-M290 WeakPolarHBondContact O-CE 3.14Å; F261-M290 HydrophobicContact CB-CE 3.81Å; F261-M290 HydrophobicContact CG-CE 4.43Å; I285-M290 HydrophobicContact CG2-CE 3.65Å; F287-M290 HydrophobicContact CD1-CE 3.56Å; F287-M290 HydrophobicContact CD1-SD 3.85Å; F287-M290 HydrophobicContact CE1-CE 3.9Å; F287-M290 HydrophobicContact CG-CE 4.45Å; F287-M290 WeakPolarHBondContact O-CB 3.37Å; F287-M290 PolarHBondContact O-N 3.49Å; M290-E294 HydrophobicContact CB-CB 4.19Å; M290-L295 HydrophobicContact CB-CD2 3.94Å; M290-L295 HydrophobicContact CB-CG 4.02Å; M290-L295 HydrophobicContact CG-CD2 4.48Å; M290-L295 HydrophobicContact SD-CD2 3.91Å; M290-V299 HydrophobicContact CE-CG2 4.31Å; M290-V299 HydrophobicContact SD-CG2 3.58Å; M290-V299 VanDerWaalsContact SD-CG2 3.58Å; M290-Q322 PolarHBondContact O-NE2 3.23Å
291	T	94.5	Very high	96.9	Very high	47 Å²	47	46.6 Å²	46.6	29%	0.288	23%	0.234	S	C	.	.			trans	-68.8	156.8	172.6	65.4	0	0	0	0	111.1	Q293 E294 L295 Y421	T291-Q293 PolarHBondContact O-N 2.78Å; T291-E294 WeakPolarHBondContact CB-OE2 3.32Å; T291-E294 PolarHBondContact N-OE2 3Å; T291-E294 PolarHBondContact O-N 3.38Å; T291-E294 VanDerWaalsContact OG1-CD 3.3Å; T291-E294 WeakPolarHBondContact OG1-CG 3.41Å; T291-E294 PolarHBondContact OG1-N 2.82Å; T291-E294 PolarHBondContact OG1-OE2 3.18Å; T291-L295 PolarHBondContact O-N 3.16Å; T291-L295 VanDerWaalsContact O-N 3.12Å; T291-Y421 HydrophobicContact CG2-CE1 4.49Å
292	P	95.6	Very high	96.9	Very high	65 Å²	65	47.1 Å²	47.1	42%	0.422	24%	0.237	S	C	.	.	H	α-helix	trans	-54.9	-37.5	176.1	-27	34.5	0	0	0	113.6	L295 I296 Q322	P292-L295 PolarHBondContact O-N 3.35Å; P292-I296 WeakPolarHBondContact O-CG1 3.43Å; P292-I296 PolarHBondContact O-N 2.64Å; P292-I296 VanDerWaalsContact O-N 3.1Å; P292-Q322 HydrophobicContact CG-CB 4.21Å
293	Q	95.8	Very high	96.8	Very high	145 Å²	145	52 Å²	52	68%	0.678	26%	0.263	S	S	*	.	H	α-helix	trans	-65.6	-39.4	178.7	-68.3	175.4	-5.1	0	0	111.6	T291 N297	T291-Q293 PolarHBondContact O-N 2.78Å; Q293-N297 WeakPolarHBondContact O-CB 3.41Å; Q293-N297 VanDerWaalsContact O-CG 3.26Å; Q293-N297 PolarHBondContact O-N 3.1Å; Q293-N297 PolarHBondContact O-ND2 2.94Å
294	E	97.3	Very high	96.7	Very high	48 Å²	48	48.4 Å²	48.4	22%	0.224	25%	0.247	C	C	.	.	H	α-helix	trans	-68.1	-41.3	178.4	-69.3	168.4	130.5	0	0	112	L258 M290 T291 Y298 V299	L258-E294 HydrophobicContact CD1-CB 4.43Å; L258-E294 HydrophobicContact CD2-CB 4.44Å; L258-E294 HydrophobicContact CD2-CG 3.91Å; L258-E294 WeakPolarHBondContact CD2-OE1 3.25Å; M290-E294 HydrophobicContact CB-CB 4.19Å; T291-E294 WeakPolarHBondContact CB-OE2 3.32Å; T291-E294 PolarHBondContact N-OE2 3Å; T291-E294 PolarHBondContact O-N 3.38Å; T291-E294 VanDerWaalsContact OG1-CD 3.3Å; T291-E294 WeakPolarHBondContact OG1-CG 3.41Å; T291-E294 PolarHBondContact OG1-N 2.82Å; T291-E294 PolarHBondContact OG1-OE2 3.18Å; E294-Y298 HydrophobicContact CB-CD2 4.39Å; E294-Y298 HydrophobicContact CG-CD2 4.49Å; E294-Y298 WeakPolarHBondContact O-CB 3.47Å; E294-Y298 PolarHBondContact O-N 2.93Å; E294-V299 PolarHBondContact O-N 3.06Å
295	L	97.6	Very high	96.7	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.026	24%	0.236	C	C	.	.	I	π-helix	trans	-60.1	-47.4	176.6	-67.6	173.2	0	0	0	111.3	F287 M290 T291 P292 V299 Q300 L315 A318 Q322	F287-L295 HydrophobicContact CB-CD2 4.18Å; F287-L295 HydrophobicContact CD1-CD2 4.32Å; M290-L295 HydrophobicContact CB-CD2 3.94Å; M290-L295 HydrophobicContact CB-CG 4.02Å; M290-L295 HydrophobicContact CG-CD2 4.48Å; M290-L295 HydrophobicContact SD-CD2 3.91Å; T291-L295 PolarHBondContact O-N 3.16Å; T291-L295 VanDerWaalsContact O-N 3.12Å; P292-L295 PolarHBondContact O-N 3.35Å; L295-V299 HydrophobicContact CD2-CB 4.48Å; L295-V299 HydrophobicContact CD2-CG2 4.21Å; L295-V299 WeakPolarHBondContact O-CB 3.37Å; L295-V299 PolarHBondContact O-N 2.96Å; L295-Q300 WeakPolarHBondContact O-CB 3.5Å; L295-Q300 PolarHBondContact O-N 3.44Å; L295-L315 HydrophobicContact CB-CD1 4.46Å; L295-L315 HydrophobicContact CD2-CD1 4.19Å; L295-A318 HydrophobicContact CD1-CB 3.91Å; L295-A318 HydrophobicContact CD2-CB 4.06Å; L295-Q322 HydrophobicContact CD1-CG 4.2Å
296	I	96.8	Very high	96.6	Very high	96 Å²	96	52.7 Å²	52.7	49%	0.492	26%	0.26	S	S	.	.	I	π-helix	trans	-71.8	-49	-177.6	-65.4	167.2	0	0	0	111.3	P292	P292-I296 WeakPolarHBondContact O-CG1 3.43Å; P292-I296 PolarHBondContact O-N 2.64Å; P292-I296 VanDerWaalsContact O-N 3.1Å
297	N	97.4	Very high	96.5	Very high	94 Å²	94	57.4 Å²	57.4	50%	0.503	29%	0.291	S	S	.	.	I	π-helix	trans	-81.9	-24.3	-168.9	-63.7	-20.8	0	0	0	113.4	Q293 T301	Q293-N297 WeakPolarHBondContact O-CB 3.41Å; Q293-N297 VanDerWaalsContact O-CG 3.26Å; Q293-N297 PolarHBondContact O-N 3.1Å; Q293-N297 PolarHBondContact O-ND2 2.94Å; N297-T301 VanDerWaalsContact O-CG2 3.29Å; N297-T301 WeakPolarHBondContact O-CG2 3.48Å
298	Y	97.6	Very high	96.5	Very high	110 Å²	110	60.1 Å²	60.1	43%	0.431	31%	0.305	S	S	.	.	I	π-helix	trans	-121.7	-41.9	-175.7	-57.6	-69.2	0	0	0	114.2	L258 E294 T301	L258-Y298 HydrophobicContact CD1-CD2 3.92Å; L258-Y298 HydrophobicContact CD1-CG 4.02Å; L258-Y298 HydrophobicContact CD2-CD2 3.88Å; L258-Y298 HydrophobicContact CD2-CE2 4.1Å; E294-Y298 HydrophobicContact CB-CD2 4.39Å; E294-Y298 HydrophobicContact CG-CD2 4.49Å; E294-Y298 WeakPolarHBondContact O-CB 3.47Å; E294-Y298 PolarHBondContact O-N 2.93Å; Y298-T301 PolarHBondContact O-OG1 3.2Å
299	V	97.6	Very high	96.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.336	C	S	.	.	I	π-helix	trans	-81.3	-49.9	-173.9	-177.9	0	0	0	0	111.3	F261 F287 M290 E294 L295 T301 V302 M305 L315	F261-V299 HydrophobicContact CD1-CG2 3.95Å; F261-V299 HydrophobicContact CE1-CB 4.21Å; F261-V299 HydrophobicContact CE1-CG1 4.44Å; F261-V299 HydrophobicContact CE1-CG2 3.9Å; F261-V299 HydrophobicContact CE2-CG1 4.06Å; F261-V299 HydrophobicContact CG-CG2 4.33Å; F261-V299 HydrophobicContact CZ-CB 4.17Å; F261-V299 HydrophobicContact CZ-CG1 3.93Å; F261-V299 HydrophobicContact CZ-CG2 4.21Å; F287-V299 HydrophobicContact CD1-CG1 3.9Å; F287-V299 HydrophobicContact CD1-CG2 4.15Å; F287-V299 HydrophobicContact CE1-CG1 3.58Å; F287-V299 HydrophobicContact CE1-CG2 4.09Å; F287-V299 HydrophobicContact CZ-CG1 4.47Å; M290-V299 HydrophobicContact CE-CG2 4.31Å; M290-V299 HydrophobicContact SD-CG2 3.58Å; M290-V299 VanDerWaalsContact SD-CG2 3.58Å; E294-V299 PolarHBondContact O-N 3.06Å; L295-V299 HydrophobicContact CD2-CB 4.48Å; L295-V299 HydrophobicContact CD2-CG2 4.21Å; L295-V299 WeakPolarHBondContact O-CB 3.37Å; L295-V299 PolarHBondContact O-N 2.96Å; V299-T301 PolarHBondContact O-N 2.75Å; V299-V302 PolarHBondContact O-N 3.11Å; V299-M305 HydrophobicContact CG1-CE 3.7Å; V299-M305 HydrophobicContact CG1-CG 4.15Å; V299-L315 HydrophobicContact CG1-CD1 4.09Å
300	Q	96.1	Very high	96.6	Very high	89 Å²	89	66.6 Å²	66.6	42%	0.416	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.6	-178	-170.6	175.6	3.9	0	0	112.9	L295 V302 R306 L315	L295-Q300 WeakPolarHBondContact O-CB 3.5Å; L295-Q300 PolarHBondContact O-N 3.44Å; Q300-V302 PolarHBondContact O-N 3.23Å; Q300-R306 WeakPolarHBondContact O-CD 3.41Å; Q300-R306 PolarHBondContact O-NE 3.07Å; Q300-R306 VanDerWaalsContact O-NE 3.16Å; Q300-L315 HydrophobicContact CB-CD2 4.17Å; Q300-L315 HydrophobicContact CG-CD2 4.15Å
301	T	96.8	Very high	96.7	Very high	85 Å²	85	66.4 Å²	66.4	52%	0.521	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-12.8	178.4	62.6	0	0	0	0	113.4	N297 Y298 V299	N297-T301 VanDerWaalsContact O-CG2 3.29Å; N297-T301 WeakPolarHBondContact O-CG2 3.48Å; Y298-T301 PolarHBondContact O-OG1 3.2Å; V299-T301 PolarHBondContact O-N 2.75Å
302	V	97.1	Very high	96.9	Very high	10 Å²	10	66.2 Å²	66.2	6%	0.061	34%	0.339	C	S	.	.	S	Bend	trans	-87	126	178.9	179.5	0	0	0	0	110.9	F261 V299 Q300 F304 M305	F261-V302 HydrophobicContact CE1-CG2 4.07Å; F261-V302 HydrophobicContact CZ-CB 4.21Å; F261-V302 HydrophobicContact CZ-CG2 3.73Å; V299-V302 PolarHBondContact O-N 3.11Å; Q300-V302 PolarHBondContact O-N 3.23Å; V302-F304 HydrophobicContact CG1-CD1 3.65Å; V302-F304 HydrophobicContact CG1-CD2 4.45Å; V302-F304 HydrophobicContact CG1-CE1 3.29Å; V302-F304 HydrophobicContact CG1-CE2 4.15Å; V302-F304 HydrophobicContact CG1-CG 4.22Å; V302-F304 HydrophobicContact CG1-CZ 3.57Å; V302-F304 PolarHBondContact O-N 3.34Å; V302-M305 HydrophobicContact CB-CB 4.45Å; V302-M305 HydrophobicContact CB-CG 3.98Å; V302-M305 HydrophobicContact CG1-CG 4.22Å; V302-M305 WeakPolarHBondContact O-CB 3.42Å; V302-M305 PolarHBondContact O-N 3.4Å
303	D	95.6	Very high	97	Very high	104 Å²	104	67 Å²	67	56%	0.556	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-49.2	-170.4	-66.2	-23.5	0	0	0	114.4	M305 R306 T307	D303-M305 PolarHBondContact O-N 2.72Å; D303-R306 WeakPolarHBondContact O-CA 3.48Å; D303-R306 WeakPolarHBondContact O-CB 3.48Å; D303-R306 PolarHBondContact O-N 3.39Å; D303-R306 IonicContact OD1-CZ 3.11Å; D303-R306 IonicContact OD1-NH2 3.91Å; D303-R306 PolarHBondContact OD1-NH2 2.92Å; D303-T307 PolarHBondContact O-N 3.29Å; D303-T307 PolarHBondContact O-OG1 3.3Å
304	F	95.8	Very high	97.1	Very high	29 Å²	29	60.3 Å²	60.3	13%	0.127	31%	0.309	C	S	.	.	H	α-helix	trans	-66.7	-18.4	-179.8	66.7	-103.3	0	0	0	113.3	L268 M275 A278 M282 V302 R306 T307 D308 C311	L268-F304 HydrophobicContact CD1-CE1 4.31Å; L268-F304 HydrophobicContact CD1-CZ 3.87Å; M275-F304 HydrophobicContact SD-CD1 4.46Å; A278-F304 HydrophobicContact CB-CD2 4.11Å; A278-F304 HydrophobicContact CB-CE2 4.21Å; A278-F304 HydrophobicContact CB-CG 4.45Å; M282-F304 HydrophobicContact CE-CE2 3.49Å; M282-F304 VanDerWaalsContact CE-CE2 3.49Å; M282-F304 HydrophobicContact CE-CZ 3.44Å; M282-F304 VanDerWaalsContact CE-CZ 3.44Å; M282-F304 HydrophobicContact CG-CE2 4.03Å; V302-F304 HydrophobicContact CG1-CD1 3.65Å; V302-F304 HydrophobicContact CG1-CD2 4.45Å; V302-F304 HydrophobicContact CG1-CE1 3.29Å; V302-F304 HydrophobicContact CG1-CE2 4.15Å; V302-F304 HydrophobicContact CG1-CG 4.22Å; V302-F304 HydrophobicContact CG1-CZ 3.57Å; V302-F304 PolarHBondContact O-N 3.34Å; F304-R306 PolarHBondContact O-N 3.48Å; F304-T307 WeakPolarHBondContact CA-OG1 3.33Å; F304-D308 WeakPolarHBondContact O-CB 3.26Å; F304-D308 PolarHBondContact O-N 3.06Å; F304-D308 VanDerWaalsContact O-N 3.07Å; F304-C311 WeakPolarHBondContact O-CB 3.46Å
305	M	97.5	Very high	97.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-69.9	-17	170.8	-64.9	-59.6	-58.9	0	0	112.4	F261 M282 F287 V299 V302 D303 C311 V312	F261-M305 HydrophobicContact CE2-CG 4.04Å; F261-M305 HydrophobicContact CE2-SD 3.98Å; F261-M305 HydrophobicContact CZ-CG 4.12Å; M282-M305 HydrophobicContact CG-SD 4Å; M282-M305 HydrophobicContact SD-SD 4.33Å; F287-M305 HydrophobicContact CE1-CE 4.02Å; F287-M305 HydrophobicContact CE2-CE 4.08Å; F287-M305 HydrophobicContact CZ-CE 3.63Å; F287-M305 HydrophobicContact CZ-SD 4.28Å; V299-M305 HydrophobicContact CG1-CE 3.7Å; V299-M305 HydrophobicContact CG1-CG 4.15Å; V302-M305 HydrophobicContact CB-CB 4.45Å; V302-M305 HydrophobicContact CB-CG 3.98Å; V302-M305 HydrophobicContact CG1-CG 4.22Å; V302-M305 WeakPolarHBondContact O-CB 3.42Å; V302-M305 PolarHBondContact O-N 3.4Å; D303-M305 PolarHBondContact O-N 2.72Å; M305-C311 HydrophobicContact CE-CB 4.04Å; M305-C311 HydrophobicContact SD-CB 3.74Å; M305-V312 WeakPolarHBondContact O-CG2 3.5Å
306	R	96.1	Very high	97.1	Very high	134 Å²	134	62.9 Å²	62.9	51%	0.506	32%	0.324	S	S	.	.	H	α-helix	trans	-107.9	-18.6	179.2	-63	-176.5	-71.5	131.7	-1.1	113.7	Q300 D303 F304 V312	Q300-R306 WeakPolarHBondContact O-CD 3.41Å; Q300-R306 PolarHBondContact O-NE 3.07Å; Q300-R306 VanDerWaalsContact O-NE 3.16Å; D303-R306 WeakPolarHBondContact O-CA 3.48Å; D303-R306 WeakPolarHBondContact O-CB 3.48Å; D303-R306 PolarHBondContact O-N 3.39Å; D303-R306 IonicContact OD1-CZ 3.11Å; D303-R306 IonicContact OD1-NH2 3.91Å; D303-R306 PolarHBondContact OD1-NH2 2.92Å; F304-R306 PolarHBondContact O-N 3.48Å; R306-V312 VanDerWaalsContact C-CG2 3.47Å; R306-V312 WeakPolarHBondContact O-CG2 3.34Å
307	T	95.8	Very high	97.2	Very high	116 Å²	116	60.7 Å²	60.7	71%	0.712	31%	0.311	S	S	*	.	H	α-helix	trans	-108.7	-32.5	-176.6	61.2	0	0	0	0	113.9	D303 F304	D303-T307 PolarHBondContact O-N 3.29Å; D303-T307 PolarHBondContact O-OG1 3.3Å; F304-T307 WeakPolarHBondContact CA-OG1 3.33Å
308	D	97.3	Very high	97.2	Very high	57 Å²	57	56.2 Å²	56.2	31%	0.305	29%	0.287	S	S	.	.	S	Bend	trans	-79.6	127.4	176.1	177.8	-92.4	0	0	0	110.9	F304 T310 C311 V312	F304-D308 WeakPolarHBondContact O-CB 3.26Å; F304-D308 PolarHBondContact O-N 3.06Å; F304-D308 VanDerWaalsContact O-N 3.07Å; D308-T310 VanDerWaalsContact C-N 3.28Å; D308-T310 PolarHBondContact O-N 3.49Å; D308-T310 WeakPolarHBondContact OD1-CA 3.1Å; D308-T310 WeakPolarHBondContact OD1-CB 3.49Å; D308-T310 PolarHBondContact OD1-N 2.82Å; D308-C311 HydrophobicContact CB-CB 4.12Å; D308-C311 PolarHBondContact O-N 2.85Å; D308-C311 PolarHBondContact OD1-N 3.32Å; D308-V312 VanDerWaalsContact O-CG2 3.28Å; D308-V312 WeakPolarHBondContact O-CG2 3.25Å; D308-V312 PolarHBondContact O-N 3Å
309	N	97.4	Very high	97.1	Very high	119 Å²	119	53 Å²	53	64%	0.636	28%	0.282	S	S	*	.	H	α-helix	trans	-60.9	-35	-176	-176.6	65.8	0	0	0	113	N313	N309-N313 PolarHBondContact O-N 3.45Å; N309-N313 PolarHBondContact O-ND2 3.04Å
310	T	97.9	Very high	97.1	Very high	42 Å²	42	57 Å²	57	26%	0.258	30%	0.303	S	S	.	.	H	α-helix	trans	-67.5	-50.2	176.9	-56.2	0	0	0	0	109.8	A279 K283 D308 V312 N313 L314	A279-T310 HydrophobicContact CB-CG2 4.22Å; K283-T310 HydrophobicContact CD-CG2 4.29Å; K283-T310 HydrophobicContact CG-CG2 4.05Å; D308-T310 VanDerWaalsContact C-N 3.28Å; D308-T310 PolarHBondContact O-N 3.49Å; D308-T310 WeakPolarHBondContact OD1-CA 3.1Å; D308-T310 WeakPolarHBondContact OD1-CB 3.49Å; D308-T310 PolarHBondContact OD1-N 2.82Å; T310-V312 VanDerWaalsContact C-N 3.34Å; T310-V312 PolarHBondContact O-N 3.39Å; T310-N313 PolarHBondContact O-N 3.38Å; T310-L314 HydrophobicContact CG2-CD1 4.49Å; T310-L314 WeakPolarHBondContact O-CG 3.36Å; T310-L314 PolarHBondContact O-N 3.48Å
311	C	97.9	Very high	97.1	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.5	-38.4	-177.9	-63	0	0	0	0	112.6	F304 M305 D308 N313 L314 L315	F304-C311 WeakPolarHBondContact O-CB 3.46Å; M305-C311 HydrophobicContact CE-CB 4.04Å; M305-C311 HydrophobicContact SD-CB 3.74Å; D308-C311 HydrophobicContact CB-CB 4.12Å; D308-C311 PolarHBondContact O-N 2.85Å; D308-C311 PolarHBondContact OD1-N 3.32Å; C311-N313 VanDerWaalsContact C-N 3.34Å; C311-N313 PolarHBondContact O-N 3.37Å; C311-L314 WeakPolarHBondContact O-CB 3.42Å; C311-L314 PolarHBondContact O-N 3.08Å; C311-L315 PolarHBondContact O-N 2.94Å
312	V	98.1	Very high	97.1	Very high	42 Å²	42	50.5 Å²	50.5	26%	0.255	27%	0.266	S	S	.	.	H	α-helix	trans	-60	-45.1	173.9	170.4	0	0	0	0	110.8	M305 R306 D308 T310 L314 L315 L316	M305-V312 WeakPolarHBondContact O-CG2 3.5Å; R306-V312 VanDerWaalsContact C-CG2 3.47Å; R306-V312 WeakPolarHBondContact O-CG2 3.34Å; D308-V312 VanDerWaalsContact O-CG2 3.28Å; D308-V312 WeakPolarHBondContact O-CG2 3.25Å; D308-V312 PolarHBondContact O-N 3Å; T310-V312 VanDerWaalsContact C-N 3.34Å; T310-V312 PolarHBondContact O-N 3.39Å; V312-L314 VanDerWaalsContact C-N 3.32Å; V312-L314 PolarHBondContact O-N 2.81Å; V312-L315 PolarHBondContact O-N 3.05Å; V312-L316 HydrophobicContact CG1-CD1 4.01Å; V312-L316 HydrophobicContact CG1-CG 4.34Å; V312-L316 WeakPolarHBondContact O-CG 3.42Å; V312-L316 PolarHBondContact O-N 3.17Å
313	N	98.2	Very high	97	Very high	82 Å²	82	57 Å²	57	44%	0.439	30%	0.298	S	S	.	.	H	α-helix	trans	-64.1	-35.6	177.7	-74.5	-45.9	0	0	0	112.7	N309 T310 C311 L316 E317	N309-N313 PolarHBondContact O-N 3.45Å; N309-N313 PolarHBondContact O-ND2 3.04Å; T310-N313 PolarHBondContact O-N 3.38Å; C311-N313 VanDerWaalsContact C-N 3.34Å; C311-N313 PolarHBondContact O-N 3.37Å; N313-L316 PolarHBondContact O-N 3.07Å; N313-E317 WeakPolarHBondContact O-CB 3.45Å; N313-E317 PolarHBondContact O-N 2.86Å
314	L	98.4	Very high	97	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-41.9	173.3	-64.1	174.1	0	0	0	111.9	M282 K283 F287 T310 C311 V312 A318	M282-L314 HydrophobicContact CB-CD1 3.82Å; K283-L314 HydrophobicContact CG-CD1 4.35Å; F287-L314 HydrophobicContact CD2-CB 3.97Å; F287-L314 HydrophobicContact CD2-CD1 4.48Å; F287-L314 HydrophobicContact CE2-CB 4.15Å; F287-L314 HydrophobicContact CE2-CD1 4.01Å; T310-L314 HydrophobicContact CG2-CD1 4.49Å; T310-L314 WeakPolarHBondContact O-CG 3.36Å; T310-L314 PolarHBondContact O-N 3.48Å; C311-L314 WeakPolarHBondContact O-CB 3.42Å; C311-L314 PolarHBondContact O-N 3.08Å; V312-L314 VanDerWaalsContact C-N 3.32Å; V312-L314 PolarHBondContact O-N 2.81Å; L314-A318 PolarHBondContact O-N 2.89Å; L314-A318 VanDerWaalsContact O-N 3.12Å
315	L	97.3	Very high	97	Very high	17 Å²	17	56.9 Å²	56.9	9%	0.089	30%	0.299	C	S	.	.	H	α-helix	trans	-67.6	-43.3	177.8	-175	60.3	0	0	0	111.3	L295 V299 Q300 C311 V312 E317 A318 S319	L295-L315 HydrophobicContact CB-CD1 4.46Å; L295-L315 HydrophobicContact CD2-CD1 4.19Å; V299-L315 HydrophobicContact CG1-CD1 4.09Å; Q300-L315 HydrophobicContact CB-CD2 4.17Å; Q300-L315 HydrophobicContact CG-CD2 4.15Å; C311-L315 PolarHBondContact O-N 2.94Å; V312-L315 PolarHBondContact O-N 3.05Å; L315-E317 PolarHBondContact O-N 2.83Å; L315-A318 PolarHBondContact O-N 3Å; L315-S319 PolarHBondContact O-N 2.88Å; L315-S319 PolarHBondContact O-OG 2.66Å
316	L	97.1	Very high	97	Very high	89 Å²	89	61.1 Å²	61.1	47%	0.466	32%	0.316	S	S	.	.	H	α-helix	trans	-60.9	-43.3	176.7	-72.1	174.4	0	0	0	112.2	V312 N313 S319 N320	V312-L316 HydrophobicContact CG1-CD1 4.01Å; V312-L316 HydrophobicContact CG1-CG 4.34Å; V312-L316 WeakPolarHBondContact O-CG 3.42Å; V312-L316 PolarHBondContact O-N 3.17Å; N313-L316 PolarHBondContact O-N 3.07Å; L316-S319 PolarHBondContact O-N 3.43Å; L316-N320 WeakPolarHBondContact O-CB 3.44Å; L316-N320 PolarHBondContact O-N 3.24Å; L316-N320 PolarHBondContact O-ND2 3.25Å
317	E	97.7	Very high	97	Very high	50 Å²	50	56.4 Å²	56.4	23%	0.234	30%	0.3	C	S	.	.	H	α-helix	trans	-56.7	-50.8	173	174.6	-164.7	-139.6	0	0	111.1	P288 N313 L315 S319 N320 Y321 R335	P288-E317 HydrophobicContact CG-CG 4.27Å; N313-E317 WeakPolarHBondContact O-CB 3.45Å; N313-E317 PolarHBondContact O-N 2.86Å; L315-E317 PolarHBondContact O-N 2.83Å; E317-S319 PolarHBondContact O-N 2.86Å; E317-N320 PolarHBondContact O-N 3.36Å; E317-Y321 VanDerWaalsContact O-CB 3.29Å; E317-Y321 WeakPolarHBondContact O-CB 3.15Å; E317-Y321 PolarHBondContact O-N 2.93Å; E317-R335 IonicContact OE1-CZ 3.67Å; E317-R335 IonicContact OE1-NE 2.74Å; E317-R335 PolarHBondContact OE1-NE 3.22Å; E317-R335 IonicContact OE1-NH2 2.89Å; E317-R335 PolarHBondContact OE1-NH2 3.1Å; E317-R335 IonicContact OE2-CZ 3.46Å; E317-R335 IonicContact OE2-NE 2.94Å; E317-R335 PolarHBondContact OE2-NE 3.17Å; E317-R335 IonicContact OE2-NH2 3.23Å; E317-R335 PolarHBondContact OE2-NH2 3.07Å
318	A	97.8	Very high	97.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-44.2	-178.9	0	0	0	0	0	112.2	F287 P288 L295 L314 L315 Y321 Q322	F287-A318 HydrophobicContact CB-CB 3.56Å; P288-A318 HydrophobicContact CG-CB 4.27Å; L295-A318 HydrophobicContact CD1-CB 3.91Å; L295-A318 HydrophobicContact CD2-CB 4.06Å; L314-A318 PolarHBondContact O-N 2.89Å; L314-A318 VanDerWaalsContact O-N 3.12Å; L315-A318 PolarHBondContact O-N 3Å; A318-Y321 PolarHBondContact O-N 3.34Å; A318-Q322 WeakPolarHBondContact O-CB 3.41Å; A318-Q322 WeakPolarHBondContact O-CG 3.37Å; A318-Q322 PolarHBondContact O-N 3.26Å
319	S	96.3	Very high	97.1	Very high	44 Å²	44	48.7 Å²	48.7	31%	0.308	25%	0.254	S	S	.	.	H	α-helix	trans	-60.3	-48.9	175.4	-64.8	0	0	0	0	111.7	L315 L316 E317 Y321 Q322 M323	L315-S319 PolarHBondContact O-N 2.88Å; L315-S319 PolarHBondContact O-OG 2.66Å; L316-S319 PolarHBondContact O-N 3.43Å; E317-S319 PolarHBondContact O-N 2.86Å; S319-Y321 VanDerWaalsContact C-N 3.33Å; S319-Y321 PolarHBondContact O-N 3.31Å; S319-Q322 PolarHBondContact O-N 3.11Å; S319-M323 WeakPolarHBondContact O-CB 3.38Å; S319-M323 VanDerWaalsContact O-CG 3.26Å; S319-M323 WeakPolarHBondContact O-CG 3.36Å; S319-M323 PolarHBondContact O-N 2.87Å
320	N	96.8	Very high	97.1	Very high	83 Å²	83	44.9 Å²	44.9	44%	0.444	24%	0.235	S	C	.	.	H	α-helix	trans	-61.2	-42.7	178.2	-72.8	-23.1	0	0	0	111.8	L316 E317 Q322 M323 M324	L316-N320 WeakPolarHBondContact O-CB 3.44Å; L316-N320 PolarHBondContact O-N 3.24Å; L316-N320 PolarHBondContact O-ND2 3.25Å; E317-N320 PolarHBondContact O-N 3.36Å; N320-Q322 PolarHBondContact O-N 2.88Å; N320-M323 PolarHBondContact O-N 3.16Å; N320-M324 PolarHBondContact O-N 3.37Å
321	Y	97.3	Very high	97	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-42	178.6	-172.2	-82.8	0	0	0	112.1	P288 E317 A318 S319 Q328 M331 Q332 T336 R420	P288-Y321 HydrophobicContact CB-CD1 3.96Å; P288-Y321 HydrophobicContact CB-CG 3.94Å; E317-Y321 VanDerWaalsContact O-CB 3.29Å; E317-Y321 WeakPolarHBondContact O-CB 3.15Å; E317-Y321 PolarHBondContact O-N 2.93Å; A318-Y321 PolarHBondContact O-N 3.34Å; S319-Y321 VanDerWaalsContact C-N 3.33Å; S319-Y321 PolarHBondContact O-N 3.31Å; Y321-Q328 HydrophobicContact CD1-CG 3.94Å; Y321-Q328 HydrophobicContact CE1-CB 3.91Å; Y321-Q328 VanDerWaalsContact CE1-CD 3.47Å; Y321-Q328 HydrophobicContact CE1-CG 3.4Å; Y321-Q328 HydrophobicContact CE2-CB 4.2Å; Y321-Q328 HydrophobicContact CE2-CG 4.19Å; Y321-Q328 HydrophobicContact CG-CG 4.48Å; Y321-Q328 WeakPolarHBondContact O-CG 3.35Å; Y321-Q328 PolarHBondContact O-NE2 3.47Å; Y321-Q328 WeakPolarHBondContact OH-CB 3.43Å; Y321-Q328 PolarHBondContact OH-O 3.32Å; Y321-M331 HydrophobicContact CD2-CB 4.03Å; Y321-M331 HydrophobicContact CD2-CE 4.29Å; Y321-M331 HydrophobicContact CE2-CB 3.89Å; Y321-M331 WeakPolarHBondContact CE2-O 3.41Å; Y321-Q332 PolarHBondContact OH-NE2 3.49Å; Y321-T336 HydrophobicContact CD2-CG2 3.54Å; Y321-T336 HydrophobicContact CE2-CG2 3.35Å; Y321-T336 HydrophobicContact CG-CG2 4.27Å; Y321-R420 PolarHBondContact OH-NH1 2.88Å
322	Q	95.6	Very high	96.9	Very high	33 Å²	33	49 Å²	49	15%	0.154	25%	0.252	C	S	.	.	H	α-helix	trans	-73.6	-28.9	178.1	-71.3	-65.9	-33.7	0	0	112.9	P288 M290 P292 L295 A318 S319 N320 M324 Y421	P288-Q322 PolarHBondContact O-NE2 3.15Å; M290-Q322 PolarHBondContact O-NE2 3.23Å; P292-Q322 HydrophobicContact CG-CB 4.21Å; L295-Q322 HydrophobicContact CD1-CG 4.2Å; A318-Q322 WeakPolarHBondContact O-CB 3.41Å; A318-Q322 WeakPolarHBondContact O-CG 3.37Å; A318-Q322 PolarHBondContact O-N 3.26Å; S319-Q322 PolarHBondContact O-N 3.11Å; N320-Q322 PolarHBondContact O-N 2.88Å; Q322-M324 VanDerWaalsContact C-N 3.31Å; Q322-M324 PolarHBondContact O-N 3.19Å; Q322-Y421 PolarHBondContact NE2-OH 3.26Å
323	M	95.8	Very high	96.7	Very high	147 Å²	147	49.3 Å²	49.3	72%	0.724	26%	0.256	S	S	*	.	H	α-helix	trans	-73.6	-18.1	176.2	-75.9	178.9	65.8	0	0	114.1	S319 N320 P325	S319-M323 WeakPolarHBondContact O-CB 3.38Å; S319-M323 VanDerWaalsContact O-CG 3.26Å; S319-M323 WeakPolarHBondContact O-CG 3.36Å; S319-M323 PolarHBondContact O-N 2.87Å; N320-M323 PolarHBondContact O-N 3.16Å; M323-P325 WeakPolarHBondContact O-CD 3.29Å
324	M	96.1	Very high	96.5	Very high	86 Å²	86	52.2 Å²	52.2	42%	0.424	27%	0.272	S	S	.	.			trans	-116.5	64.1	-176.6	-59.1	-165.4	-176.5	0	0	112.2	N320 Q322 Y326 M327 Q328 M331	N320-M324 PolarHBondContact O-N 3.37Å; Q322-M324 VanDerWaalsContact C-N 3.31Å; Q322-M324 PolarHBondContact O-N 3.19Å; M324-Y326 VanDerWaalsContact C-N 3.29Å; M324-Y326 PolarHBondContact O-N 3.21Å; M324-Y326 VanDerWaalsContact O-N 3.17Å; M324-M327 HydrophobicContact CB-CB 3.97Å; M324-M327 HydrophobicContact CB-CG 4.37Å; M324-M327 HydrophobicContact CB-SD 4.44Å; M324-M327 PolarHBondContact O-N 3.39Å; M324-M327 HydrophobicContact SD-CE 4.22Å; M324-M327 HydrophobicContact SD-SD 3.59Å; M324-Q328 WeakPolarHBondContact O-CG 3.46Å; M324-Q328 PolarHBondContact O-N 3Å; M324-M331 HydrophobicContact CB-SD 4.37Å
325	P	95.2	Very high	96.4	Very high	44 Å²	44	55.5 Å²	55.5	29%	0.286	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-41.6	-170.9	21.8	-33.6	0	0	0	112.7	M323 M327 Q328 R416 M425	M323-P325 WeakPolarHBondContact O-CD 3.29Å; P325-M327 VanDerWaalsContact C-N 3.33Å; P325-M327 PolarHBondContact O-N 2.88Å; P325-Q328 WeakPolarHBondContact O-CB 3.44Å; P325-Q328 WeakPolarHBondContact O-CG 3.38Å; P325-Q328 PolarHBondContact O-N 2.99Å; P325-R416 VanDerWaalsContact O-CZ 3.29Å; P325-R416 PolarHBondContact O-NH1 2.77Å; P325-R416 PolarHBondContact O-NH2 3.24Å; P325-M425 HydrophobicContact CB-CE 4.3Å
326	Y	96.8	Very high	96.3	Very high	89 Å²	89	54.8 Å²	54.8	35%	0.349	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-30.8	-179.9	-49.7	-60.5	0	0	0	113.6	M324 P329 M425 V427 P466 N469	M324-Y326 VanDerWaalsContact C-N 3.29Å; M324-Y326 PolarHBondContact O-N 3.21Å; M324-Y326 VanDerWaalsContact O-N 3.17Å; Y326-P329 WeakPolarHBondContact O-CD 3.14Å; Y326-M425 HydrophobicContact CD1-CE 3.8Å; Y326-M425 HydrophobicContact CE1-CE 3.42Å; Y326-M425 VanDerWaalsContact CE1-CE 3.42Å; Y326-V427 HydrophobicContact CD1-CG1 4.01Å; Y326-V427 HydrophobicContact CE1-CG1 4.27Å; Y326-P466 CarbonylContact C-O 3.52Å; Y326-P466 VanDerWaalsContact C-O 3.24Å; Y326-P466 WeakPolarHBondContact CB-O 3.32Å; Y326-P466 WeakPolarHBondContact O-CB 3.43Å; Y326-N469 HydrophobicContact CD1-CB 4.23Å; Y326-N469 HydrophobicContact CD2-CB 3.9Å; Y326-N469 HydrophobicContact CE2-CB 4.39Å; Y326-N469 HydrophobicContact CG-CB 3.82Å
327	M	97	Very high	96.1	Very high	35 Å²	35	52.4 Å²	52.4	17%	0.172	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-18	-178	-69.9	-172.4	54.9	0	0	114.2	M324 P325 P329 V330 M331 R467	M324-M327 HydrophobicContact CB-CB 3.97Å; M324-M327 HydrophobicContact CB-CG 4.37Å; M324-M327 HydrophobicContact CB-SD 4.44Å; M324-M327 PolarHBondContact O-N 3.39Å; M324-M327 HydrophobicContact SD-CE 4.22Å; M324-M327 HydrophobicContact SD-SD 3.59Å; P325-M327 VanDerWaalsContact C-N 3.33Å; P325-M327 PolarHBondContact O-N 2.88Å; M327-P329 WeakPolarHBondContact O-CD 3.38Å; M327-V330 HydrophobicContact CB-CG2 4.48Å; M327-V330 WeakPolarHBondContact O-CG2 3.49Å; M327-V330 PolarHBondContact O-N 2.94Å; M327-M331 HydrophobicContact CB-CG 4.18Å; M327-M331 HydrophobicContact CB-SD 3.51Å; M327-M331 VanDerWaalsContact CB-SD 3.51Å; M327-M331 HydrophobicContact CE-SD 4.14Å; M327-M331 WeakPolarHBondContact O-CG 3.33Å; M327-M331 PolarHBondContact O-N 2.93Å; M327-R467 HydrophobicContact CE-CB 4.48Å; M327-R467 HydrophobicContact CE-CG 4.1Å; M327-R467 VanDerWaalsContact CE-NH1 3.35Å; M327-R467 HydrophobicContact CG-CB 4.39Å; M327-R467 HydrophobicContact CG-CG 4.47Å; M327-R467 HydrophobicContact SD-CB 4.31Å
328	Q	97.3	Very high	95.9	Very high	7 Å²	7	50.3 Å²	50.3	3%	0.033	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-43	-42.8	179.2	-68.4	-179.3	-16	0	0	114.5	Y321 M324 P325 V330 M331 Q332 F393	Y321-Q328 HydrophobicContact CD1-CG 3.94Å; Y321-Q328 HydrophobicContact CE1-CB 3.91Å; Y321-Q328 VanDerWaalsContact CE1-CD 3.47Å; Y321-Q328 HydrophobicContact CE1-CG 3.4Å; Y321-Q328 HydrophobicContact CE2-CB 4.2Å; Y321-Q328 HydrophobicContact CE2-CG 4.19Å; Y321-Q328 HydrophobicContact CG-CG 4.48Å; Y321-Q328 WeakPolarHBondContact O-CG 3.35Å; Y321-Q328 PolarHBondContact O-NE2 3.47Å; Y321-Q328 WeakPolarHBondContact OH-CB 3.43Å; Y321-Q328 PolarHBondContact OH-O 3.32Å; M324-Q328 WeakPolarHBondContact O-CG 3.46Å; M324-Q328 PolarHBondContact O-N 3Å; P325-Q328 WeakPolarHBondContact O-CB 3.44Å; P325-Q328 WeakPolarHBondContact O-CG 3.38Å; P325-Q328 PolarHBondContact O-N 2.99Å; Q328-V330 PolarHBondContact O-N 3.38Å; Q328-M331 PolarHBondContact O-N 3.14Å; Q328-M331 VanDerWaalsContact O-N 3.14Å; Q328-Q332 PolarHBondContact O-NE2 3.49Å; Q328-F393 HydrophobicContact CB-CE2 4.3Å; Q328-F393 HydrophobicContact CB-CZ 3.89Å
329	P	97.1	Very high	95.6	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.026	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-62.3	-27.6	179.7	-26	40.2	0	0	0	114.2	Y326 M327 I390 G391 F393 Y395 R416	Y326-P329 WeakPolarHBondContact O-CD 3.14Å; M327-P329 WeakPolarHBondContact O-CD 3.38Å; P329-I390 HydrophobicContact CB-CB 3.94Å; P329-I390 HydrophobicContact CB-CG2 3.64Å; P329-I390 WeakPolarHBondContact CB-O 3.48Å; P329-G391 WeakPolarHBondContact O-CA 3.15Å; P329-F393 HydrophobicContact CB-CB 4.4Å; P329-F393 HydrophobicContact CB-CD2 3.82Å; P329-F393 HydrophobicContact CB-CE2 4.45Å; P329-F393 HydrophobicContact CB-CG 4.31Å; P329-F393 HydrophobicContact CG-CB 4.07Å; P329-F393 HydrophobicContact CG-CD1 4.43Å; P329-F393 HydrophobicContact CG-CD2 3.68Å; P329-F393 HydrophobicContact CG-CE2 4.21Å; P329-F393 HydrophobicContact CG-CG 3.82Å; P329-Y395 HydrophobicContact CB-CE2 4.47Å; P329-Y395 HydrophobicContact CG-CE2 4.28Å; P329-Y395 WeakPolarHBondContact CG-OH 3.24Å; P329-R416 VanDerWaalsContact CD-NH1 3.32Å
330	V	97.2	Very high	95.4	Very high	39 Å²	39	49.3 Å²	49.3	24%	0.236	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-103.2	5.2	179	-61.2	0	0	0	0	113.1	M327 Q328 I390 G444 P466 R467	M327-V330 HydrophobicContact CB-CG2 4.48Å; M327-V330 WeakPolarHBondContact O-CG2 3.49Å; M327-V330 PolarHBondContact O-N 2.94Å; Q328-V330 PolarHBondContact O-N 3.38Å; V330-I390 HydrophobicContact CG1-CG2 4Å; V330-G444 WeakPolarHBondContact CG1-O 3.3Å; V330-P466 HydrophobicContact CG1-CB 4.27Å; V330-P466 HydrophobicContact CG1-CG 4.08Å; V330-P466 HydrophobicContact CG2-CB 4.41Å; V330-R467 HydrophobicContact CG2-CG 4.34Å
331	M	96.1	Very high	95.1	Very high	60 Å²	60	50.7 Å²	50.7	30%	0.296	26%	0.263	S	S	.	.	S	Bend	trans	-110	33.3	177.9	-66.7	174.9	66.4	0	0	111.5	Y321 M324 M327 Q328	Y321-M331 HydrophobicContact CD2-CB 4.03Å; Y321-M331 HydrophobicContact CD2-CE 4.29Å; Y321-M331 HydrophobicContact CE2-CB 3.89Å; Y321-M331 WeakPolarHBondContact CE2-O 3.41Å; M324-M331 HydrophobicContact CB-SD 4.37Å; M327-M331 HydrophobicContact CB-CG 4.18Å; M327-M331 HydrophobicContact CB-SD 3.51Å; M327-M331 VanDerWaalsContact CB-SD 3.51Å; M327-M331 HydrophobicContact CE-SD 4.14Å; M327-M331 WeakPolarHBondContact O-CG 3.33Å; M327-M331 PolarHBondContact O-N 2.93Å; Q328-M331 PolarHBondContact O-N 3.14Å; Q328-M331 VanDerWaalsContact O-N 3.14Å
332	Q	95.2	Very high	94.8	Very high	69 Å²	69	53.7 Å²	53.7	32%	0.322	28%	0.281	S	S	.	.			trans	-76.1	137.9	-174.9	-66.1	-57.7	-56.6	0	0	113.1	Y321 Q328 T336	Y321-Q332 PolarHBondContact OH-NE2 3.49Å; Q328-Q332 PolarHBondContact O-NE2 3.49Å; Q332-T336 VanDerWaalsContact CA-OG1 3.3Å; Q332-T336 WeakPolarHBondContact CA-OG1 3.39Å; Q332-T336 PolarHBondContact OE1-OG1 3.24Å; Q332-T336 VanDerWaalsContact OE1-OG1 3.1Å
333	S	95.1	Very high	94.7	Very high	48 Å²	48	54.4 Å²	54.4	34%	0.336	29%	0.288	S	S	.	.			trans	-146.9	172.4	168.9	70.1	0	0	0	0	109.6	R335 T336 A337	S333-R335 PolarHBondContact O-N 3.41Å; S333-R335 PolarHBondContact OG-N 2.9Å; S333-T336 PolarHBondContact N-OG1 3.22Å; S333-T336 PolarHBondContact O-N 2.99Å; S333-T336 PolarHBondContact O-OG1 3.05Å; S333-T336 VanDerWaalsContact O-OG1 3.07Å; S333-A337 PolarHBondContact O-N 3.23Å; S333-A337 VanDerWaalsContact O-N 3.16Å
334	D	93.2	Very high	94.6	Very high	143 Å²	143	47.7 Å²	47.7	77%	0.765	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.8	174.9	-59.8	-22.2	0	0	0	113	R286	R286-D334 PolarHBondContact NE-O 2.75Å
335	R	95.6	Very high	94.6	Very high	75 Å²	75	43.9 Å²	43.9	28%	0.283	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-10.7	178.6	-64.9	-162.3	-59	-125.8	-0.2	115	R286 E317 S333	R286-R335 VanDerWaalsContact CB-O 3.3Å; R286-R335 WeakPolarHBondContact CB-O 3.4Å; E317-R335 IonicContact OE1-CZ 3.67Å; E317-R335 IonicContact OE1-NE 2.74Å; E317-R335 PolarHBondContact OE1-NE 3.22Å; E317-R335 IonicContact OE1-NH2 2.89Å; E317-R335 PolarHBondContact OE1-NH2 3.1Å; E317-R335 IonicContact OE2-CZ 3.46Å; E317-R335 IonicContact OE2-NE 2.94Å; E317-R335 PolarHBondContact OE2-NE 3.17Å; E317-R335 IonicContact OE2-NH2 3.23Å; E317-R335 PolarHBondContact OE2-NH2 3.07Å; S333-R335 PolarHBondContact O-N 3.41Å; S333-R335 PolarHBondContact OG-N 2.9Å
336	T	95.4	Very high	94.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-10	175.6	66.7	0	0	0	0	112	P288 L289 Y321 Q332 S333	P288-T336 HydrophobicContact CB-CG2 3.79Å; P288-T336 HydrophobicContact CG-CG2 4.02Å; L289-T336 VanDerWaalsContact CD2-O 3.26Å; L289-T336 WeakPolarHBondContact CD2-O 3.29Å; Y321-T336 HydrophobicContact CD2-CG2 3.54Å; Y321-T336 HydrophobicContact CE2-CG2 3.35Å; Y321-T336 HydrophobicContact CG-CG2 4.27Å; Q332-T336 VanDerWaalsContact CA-OG1 3.3Å; Q332-T336 WeakPolarHBondContact CA-OG1 3.39Å; Q332-T336 PolarHBondContact OE1-OG1 3.24Å; Q332-T336 VanDerWaalsContact OE1-OG1 3.1Å; S333-T336 PolarHBondContact N-OG1 3.22Å; S333-T336 PolarHBondContact O-N 2.99Å; S333-T336 PolarHBondContact O-OG1 3.05Å; S333-T336 VanDerWaalsContact O-OG1 3.07Å
337	A	94	Very high	94.7	Very high	38 Å²	38	37.8 Å²	37.8	31%	0.314	21%	0.207	S	C	.	.	S	Bend	trans	-78.7	146.8	176.2	0	0	0	0	0	111.6	R286 L289 S333	R286-A337 WeakPolarHBondContact CD-O 3.33Å; R286-A337 PolarHBondContact NH1-O 3.46Å; L289-A337 WeakPolarHBondContact CD1-O 3.34Å; S333-A337 PolarHBondContact O-N 3.23Å; S333-A337 VanDerWaalsContact O-N 3.16Å
338	I	92.7	Very high	94.6	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.036	20%	0.2	C	C	.	.			trans	-57	142.4	172.6	-68.3	172.4	0	0	0	109.9	R286 S340 P419 R420 T638 F640	R286-I338 PolarHBondContact NH1-O 2.82Å; I338-S340 PolarHBondContact O-N 3.33Å; I338-P419 HydrophobicContact CD1-CB 3.93Å; I338-P419 HydrophobicContact CD1-CG 3.91Å; I338-R420 HydrophobicContact CD1-CB 4.44Å; I338-R420 HydrophobicContact CD1-CG 3.76Å; I338-R420 HydrophobicContact CG1-CB 4.35Å; I338-R420 HydrophobicContact CG1-CG 3.48Å; I338-R420 VanDerWaalsContact CG1-CG 3.48Å; I338-T638 HydrophobicContact CB-CG2 4.39Å; I338-T638 WeakPolarHBondContact CD1-O 3.2Å; I338-F640 HydrophobicContact CG2-CD2 3.95Å; I338-F640 HydrophobicContact CG2-CE1 4.02Å; I338-F640 HydrophobicContact CG2-CE2 3.36Å; I338-F640 HydrophobicContact CG2-CZ 3.39Å
339	R	92.7	Very high	94.4	Very high	8 Å²	8	36 Å²	36	3%	0.03	20%	0.199	C	C	.	.	S	Bend	trans	-75.8	66.7	175.3	-169.4	179.9	-66.3	-82.6	7.3	111.5	L247 S249 E257 N284 R286	L247-R339 VanDerWaalsContact O-CZ 3.26Å; L247-R339 PolarHBondContact O-NH1 3.43Å; L247-R339 PolarHBondContact O-NH2 2.9Å; L247-R339 VanDerWaalsContact O-NH2 3.16Å; S249-R339 WeakPolarHBondContact O-CD 3.43Å; S249-R339 VanDerWaalsContact O-CG 3.25Å; S249-R339 WeakPolarHBondContact O-CG 3.47Å; S249-R339 PolarHBondContact O-NH1 2.96Å; E257-R339 IonicContact OE1-CZ 3.47Å; E257-R339 VanDerWaalsContact OE1-CZ 3.25Å; E257-R339 IonicContact OE1-NE 2.72Å; E257-R339 PolarHBondContact OE1-NE 2.9Å; E257-R339 IonicContact OE1-NH2 2.8Å; E257-R339 PolarHBondContact OE1-NH2 3.21Å; E257-R339 IonicContact OE2-NH2 2.61Å; E257-R339 PolarHBondContact OE2-NH2 3.37Å; E257-R339 VanDerWaalsContact OE2-NH2 3.1Å; N284-R339 PolarHBondContact O-NH2 2.93Å; R286-R339 VanDerWaalsContact NH1-N 3.19Å
340	S	91.9	Very high	94.2	Very high	15 Å²	15	35.8 Å²	35.8	11%	0.105	20%	0.198	C	C	.	.			trans	-162.2	138.9	178	-177.3	0	0	0	0	109.4	I338 T342 T638	I338-S340 PolarHBondContact O-N 3.33Å; S340-T342 VanDerWaalsContact C-N 3.35Å; S340-T342 WeakPolarHBondContact OG-CB 3.47Å; S340-T342 PolarHBondContact OG-N 3.08Å; S340-T342 PolarHBondContact OG-OG1 2.98Å; S340-T638 WeakPolarHBondContact O-CG2 3.43Å
341	D	89.8	Confident	93.9	Very high	112 Å²	112	34.1 Å²	34.1	60%	0.599	19%	0.188	S	C	*	.			trans	-93.5	-0.6	166.9	-58.6	-48.6	0	0	0	111.7	N250 T343	N250-D341 VanDerWaalsContact CB-CG 3.49Å; N250-D341 WeakPolarHBondContact CB-OD1 3.28Å; N250-D341 WeakPolarHBondContact CB-OD2 3.5Å; N250-D341 PolarHBondContact ND2-OD1 3.08Å; D341-T343 PolarHBondContact O-N 3.31Å
342	T	90.3	Very high	93.4	Very high	66 Å²	66	32.6 Å²	32.6	41%	0.405	18%	0.181	S	C	.	.			trans	-83.5	115.5	-173.9	-41.6	0	0	0	0	109.3	S340 H344 T638	S340-T342 VanDerWaalsContact C-N 3.35Å; S340-T342 WeakPolarHBondContact OG-CB 3.47Å; S340-T342 PolarHBondContact OG-N 3.08Å; S340-T342 PolarHBondContact OG-OG1 2.98Å; T342-H344 WeakPolarHBondContact CG2-CE1 3.16Å; T342-H344 WeakPolarHBondContact CG2-NE2 3.41Å; T342-T638 WeakPolarHBondContact O-CG2 3.34Å
343	T	93.4	Very high	92.3	Very high	48 Å²	48	33.9 Å²	33.9	29%	0.294	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	148.3	174.5	-59.7	0	0	0	0	108.7	D341 F588 T636 T638	D341-T343 PolarHBondContact O-N 3.31Å; T343-F588 HydrophobicContact CG2-CD2 4.37Å; T343-F588 HydrophobicContact CG2-CE2 4.18Å; T343-F588 VanDerWaalsContact O-CE2 3.23Å; T343-F588 WeakPolarHBondContact O-CE2 3.38Å; T343-T636 HydrophobicContact CG2-CG2 4.46Å; T343-T638 PolarHBondContact OG1-OG1 3.14Å
344	H	95.1	Very high	91.3	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.028	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	147.4	-175.5	-61.9	-74.5	0	0	0	111	T342 V346 M364 Y365 T636 L637 V639	T342-H344 WeakPolarHBondContact CG2-CE1 3.16Å; T342-H344 WeakPolarHBondContact CG2-NE2 3.41Å; H344-V346 PolarHBondContact O-N 3.31Å; H344-M364 HydrophobicContact CB-CB 4.41Å; H344-M364 HydrophobicContact CB-CE 3.79Å; H344-M364 WeakPolarHBondContact ND1-CE 3.25Å; H344-Y365 PolarHBondContact ND1-O 3.11Å; H344-T636 VanDerWaalsContact O-CA 3.29Å; H344-T636 WeakPolarHBondContact O-CA 3.47Å; H344-L637 PolarHBondContact N-O 3.15Å; H344-L637 PolarHBondContact O-N 2.99Å; H344-V639 PolarHBondContact CD2-O 3.23Å
345	L	96.1	Very high	90.5	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	127.5	163.1	-179.5	66.4	0	0	0	108.6	M364 Y365 W372 A586 Y593 V595 F623 A634	L345-M364 CarbonylContact O-C 3.46Å; L345-M364 WeakPolarHBondContact O-CA 3.49Å; L345-Y365 PolarHBondContact O-N 3.06Å; L345-W372 HydrophobicContact CD2-CH2 3.79Å; L345-W372 HydrophobicContact CD2-CZ2 4.31Å; L345-W372 HydrophobicContact CG-CH2 4.06Å; L345-A586 HydrophobicContact CD1-CB 3.36Å; L345-Y593 HydrophobicContact CD2-CD1 4.32Å; L345-V595 HydrophobicContact CD2-CG2 4.28Å; L345-F623 HydrophobicContact CD2-CE2 4.11Å; L345-F623 HydrophobicContact CD2-CZ 3.99Å; L345-A634 HydrophobicContact CD1-CB 4.42Å
346	V	96.8	Very high	89.8	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.5	-179.1	175.9	0	0	0	0	109.6	H344 L362 R363 M364 A634 C635 L637	H344-V346 PolarHBondContact O-N 3.31Å; V346-L362 HydrophobicContact CG1-CD1 3.37Å; V346-L362 HydrophobicContact CG1-CG 4.06Å; V346-R363 CarbonylContact C-O 3.54Å; V346-R363 VanDerWaalsContact CA-O 3.27Å; V346-R363 WeakPolarHBondContact CA-O 3.46Å; V346-M364 HydrophobicContact CG2-CB 4.03Å; V346-A634 CarbonylContact O-C 3.5Å; V346-A634 WeakPolarHBondContact O-CA 3.46Å; V346-C635 PolarHBondContact N-O 3.08Å; V346-C635 PolarHBondContact O-N 3.34Å; V346-L637 HydrophobicContact CB-CD1 4.36Å; V346-L637 HydrophobicContact CG1-CD1 4.17Å; V346-L637 HydrophobicContact CG2-CB 4Å; V346-L637 HydrophobicContact CG2-CD1 4.18Å; V346-L637 HydrophobicContact CG2-CG 4.31Å
347	T	95.8	Very high	89.4	Confident	4 Å²	4	44.6 Å²	44.6	3%	0.025	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146.6	177.5	60.2	0	0	0	0	111.3	R363 W372 V595 L625 I632 R633 A634	T347-R363 PolarHBondContact N-O 3.11Å; T347-R363 PolarHBondContact O-N 2.79Å; T347-W372 HydrophobicContact CG2-CH2 3.36Å; T347-W372 HydrophobicContact CG2-CZ2 4.33Å; T347-W372 HydrophobicContact CG2-CZ3 3.61Å; T347-W372 WeakPolarHBondContact OG1-CZ3 3.48Å; T347-V595 HydrophobicContact CG2-CG1 3.74Å; T347-L625 HydrophobicContact CG2-CD2 4.31Å; T347-I632 HydrophobicContact CG2-CD1 4.19Å; T347-R633 CarbonylContact C-O 3.55Å; T347-R633 VanDerWaalsContact CA-O 3.23Å; T347-R633 WeakPolarHBondContact CA-O 3.26Å; T347-A634 HydrophobicContact CG2-CB 4.18Å
348	L	95.6	Very high	89.3	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	136.7	-179.3	178.8	72.2	0	0	0	112	E361 L362 M378 I387 V396 W424 R633	L348-E361 WeakPolarHBondContact CA-O 3.34Å; L348-L362 HydrophobicContact CB-CD1 3.96Å; L348-L362 HydrophobicContact CD1-CB 3.96Å; L348-L362 HydrophobicContact CD1-CD1 3.92Å; L348-L362 HydrophobicContact CG-CD1 4.43Å; L348-M378 HydrophobicContact CD1-CG 4.07Å; L348-M378 HydrophobicContact CD1-SD 3.87Å; L348-M378 HydrophobicContact CD2-SD 3.88Å; L348-M378 HydrophobicContact CG-SD 4.32Å; L348-I387 HydrophobicContact CD2-CG2 4.37Å; L348-V396 HydrophobicContact CD2-CB 4.18Å; L348-V396 HydrophobicContact CD2-CG1 3.91Å; L348-V396 HydrophobicContact CD2-CG2 3.17Å; L348-W424 HydrophobicContact CD1-CH2 4.4Å; L348-W424 HydrophobicContact CD1-CZ2 4.3Å; L348-W424 HydrophobicContact CD2-CH2 4.24Å; L348-R633 PolarHBondContact N-O 2.72Å; L348-R633 PolarHBondContact O-N 2.91Å; L348-R633 VanDerWaalsContact O-N 3.08Å
349	G	93.8	Very high	89.3	Confident	2 Å²	2	43.7 Å²	43.7	2%	0.021	23%	0.225	C	C	.	.			trans	65.4	-143.3	163.6	0	0	0	0	0	113.3	S359 E361 R382	G349-S359 WeakPolarHBondContact CA-O 3.32Å; G349-E361 PolarHBondContact N-O 2.84Å; G349-R382 CarbonylContact C-O 3.59Å; G349-R382 VanDerWaalsContact CA-O 3.26Å; G349-R382 WeakPolarHBondContact CA-O 3.25Å
350	G	92.4	Very high	89.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.			trans	95.6	179.3	-173.2	0	0	0	0	0	112.6	V358 S359 R382 G630	G350-V358 CarbonylContact O-C 3.59Å; G350-V358 WeakPolarHBondContact O-CA 3.33Å; G350-V358 WeakPolarHBondContact O-CG1 3.43Å; G350-S359 PolarHBondContact O-N 3.26Å; G350-R382 PolarHBondContact N-O 2.58Å; G350-G630 CarbonylContact C-O 3.59Å; G350-G630 WeakPolarHBondContact CA-O 3.23Å
351	V	91.3	Very high	89.6	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.4	-175.1	66.1	0	0	0	0	112	R353 V357 V358 Y383 Y403 M605 G630	V351-R353 PolarHBondContact O-N 3.23Å; V351-V357 WeakPolarHBondContact CA-O 3.47Å; V351-V357 WeakPolarHBondContact CG2-O 3.47Å; V351-V358 HydrophobicContact CB-CG2 4.37Å; V351-V358 HydrophobicContact CG2-CG2 4.02Å; V351-Y383 HydrophobicContact CB-CD2 4.16Å; V351-Y383 HydrophobicContact CB-CG 4.06Å; V351-Y383 HydrophobicContact CG1-CD2 3.84Å; V351-Y383 HydrophobicContact CG1-CE2 4.4Å; V351-Y383 HydrophobicContact CG1-CG 4.25Å; V351-Y403 HydrophobicContact CG1-CD2 4.08Å; V351-Y403 HydrophobicContact CG1-CE2 4.38Å; V351-Y403 HydrophobicContact CG2-CD2 3.84Å; V351-Y403 HydrophobicContact CG2-CG 4.49Å; V351-M605 HydrophobicContact CG1-CE 4.28Å; V351-G630 PolarHBondContact N-O 2.95Å; V351-G630 PolarHBondContact O-N 3.42Å; V351-G630 VanDerWaalsContact O-N 3.08Å
352	L	85.4	Confident	89.8	Confident	29 Å²	29	44 Å²	44	15%	0.152	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	93.4	164.8	-67.5	106.7	0	0	0	108.4	Q354 Q355 L356 V357 E627 L629	L352-Q354 PolarHBondContact O-N 2.79Å; L352-Q354 VanDerWaalsContact O-N 3.15Å; L352-Q355 HydrophobicContact CB-CB 4.37Å; L352-Q355 CarbonylContact O-C 3.58Å; L352-Q355 PolarHBondContact O-N 2.8Å; L352-L356 PolarHBondContact O-N 2.75Å; L352-V357 PolarHBondContact N-O 3.13Å; L352-V357 PolarHBondContact O-N 2.87Å; L352-E627 WeakPolarHBondContact CD1-OE2 3.37Å; L352-E627 HydrophobicContact CD2-CB 4.34Å; L352-E627 HydrophobicContact CD2-CG 4.44Å; L352-L629 HydrophobicContact CD1-CD2 3.56Å; L352-L629 HydrophobicContact CG-CD2 3.67Å
353	R	72.7	Confident	90.1	Very high	96 Å²	96	42.3 Å²	42.3	36%	0.362	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.2	-172.7	-176.9	173.7	177.7	-178.5	0.7	114.3	V351 Q355 L356 Y403 Y598 M605	V351-R353 PolarHBondContact O-N 3.23Å; R353-Q355 VanDerWaalsContact C-N 3.29Å; R353-Q355 PolarHBondContact O-N 2.94Å; R353-L356 WeakPolarHBondContact O-CD2 3.48Å; R353-L356 PolarHBondContact O-N 3.14Å; R353-Y403 HydrophobicContact CG-CE2 4.18Å; R353-Y403 PolarHBondContact NE-OH 3.48Å; R353-Y598 PolarHBondContact NH1-OH 2.91Å; R353-Y598 VanDerWaalsContact NH1-OH 3.08Å; R353-M605 HydrophobicContact CB-CE 3.55Å; R353-M605 HydrophobicContact CB-CG 4.15Å; R353-M605 HydrophobicContact CG-CE 4.3Å
354	Q	72.8	Confident	90.2	Very high	187 Å²	187	40 Å²	40	87%	0.874	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-31.8	178.8	-68.9	164.1	-10.6	0	0	112.4	L352	L352-Q354 PolarHBondContact O-N 2.79Å; L352-Q354 VanDerWaalsContact O-N 3.15Å
355	Q	76.2	Confident	90.1	Very high	130 Å²	130	40.3 Å²	40.3	61%	0.607	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-10	-179.7	-60.1	176.6	5.8	0	0	112.1	L352 R353 V357	L352-Q355 HydrophobicContact CB-CB 4.37Å; L352-Q355 CarbonylContact O-C 3.58Å; L352-Q355 PolarHBondContact O-N 2.8Å; R353-Q355 VanDerWaalsContact C-N 3.29Å; R353-Q355 PolarHBondContact O-N 2.94Å; Q355-V357 HydrophobicContact CB-CB 4.23Å; Q355-V357 HydrophobicContact CB-CG2 3.8Å; Q355-V357 PolarHBondContact O-N 3.27Å
356	L	81.7	Confident	89.8	Confident	104 Å²	104	41 Å²	41	55%	0.545	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	26.3	-171.1	-55.2	173.4	0	0	0	112.8	L352 R353 Y403	L352-L356 PolarHBondContact O-N 2.75Å; R353-L356 WeakPolarHBondContact O-CD2 3.48Å; R353-L356 PolarHBondContact O-N 3.14Å; L356-Y403 HydrophobicContact CD2-CD1 3.56Å; L356-Y403 HydrophobicContact CD2-CE1 4.06Å; L356-Y403 HydrophobicContact CD2-CG 3.85Å
357	V	87.3	Confident	89.2	Confident	71 Å²	71	44.3 Å²	44.3	43%	0.43	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.9	-178.6	176.5	0	0	0	0	109.5	V351 L352 Q355	V351-V357 WeakPolarHBondContact CA-O 3.47Å; V351-V357 WeakPolarHBondContact CG2-O 3.47Å; L352-V357 PolarHBondContact N-O 3.13Å; L352-V357 PolarHBondContact O-N 2.87Å; Q355-V357 HydrophobicContact CB-CB 4.23Å; Q355-V357 HydrophobicContact CB-CG2 3.8Å; Q355-V357 PolarHBondContact O-N 3.27Å
358	V	92.1	Very high	88.8	Confident	15 Å²	15	52.2 Å²	52.2	9%	0.091	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.5	174.2	-174.9	0	0	0	0	108.9	G350 V351 P381 Y383 S401	G350-V358 CarbonylContact O-C 3.59Å; G350-V358 WeakPolarHBondContact O-CA 3.33Å; G350-V358 WeakPolarHBondContact O-CG1 3.43Å; V351-V358 HydrophobicContact CB-CG2 4.37Å; V351-V358 HydrophobicContact CG2-CG2 4.02Å; V358-P381 HydrophobicContact CB-CB 3.88Å; V358-P381 HydrophobicContact CB-CG 4.39Å; V358-P381 HydrophobicContact CG1-CB 3.77Å; V358-P381 WeakPolarHBondContact O-CB 2.92Å; V358-Y383 HydrophobicContact CB-CD1 4.27Å; V358-Y383 HydrophobicContact CG1-CD1 3.63Å; V358-Y383 HydrophobicContact CG1-CG 4.26Å; V358-Y383 HydrophobicContact CG2-CD1 3.52Å; V358-Y383 HydrophobicContact CG2-CE1 3.82Å; V358-Y383 HydrophobicContact CG2-CG 4.42Å; V358-S401 WeakPolarHBondContact CB-O 3.43Å; V358-S401 VanDerWaalsContact CG2-O 3.26Å; V358-S401 WeakPolarHBondContact CG2-O 3.42Å
359	S	93.3	Very high	88.4	Confident	12 Å²	12	54 Å²	54	8%	0.084	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-80.7	149	178.9	-178.3	0	0	0	0	111.6	G349 G350 E361 P381 R382	G349-S359 WeakPolarHBondContact CA-O 3.32Å; G350-S359 PolarHBondContact O-N 3.26Å; S359-E361 PolarHBondContact OG-N 3.15Å; S359-E361 VanDerWaalsContact OG-N 3.14Å; S359-P381 WeakPolarHBondContact O-CA 3.19Å; S359-P381 WeakPolarHBondContact O-CB 3.45Å; S359-R382 PolarHBondContact O-N 3.06Å
360	K	94.1	Very high	88.2	Confident	88 Å²	88	60.6 Å²	60.6	38%	0.383	29%	0.291	S	S	.	.			trans	-115.3	1.2	171.4	65.8	-176.2	-167.5	160.8	0	112.3	P377 M378 P381	K360-P377 HydrophobicContact CG-CB 4.16Å; K360-M378 HydrophobicContact CB-CB 4.36Å; K360-M378 WeakPolarHBondContact CD-O 3.36Å; K360-M378 PolarHBondContact O-N 2.9Å; K360-P381 HydrophobicContact CB-CB 4.11Å
361	E	95.1	Very high	88.1	Confident	52 Å²	52	66.4 Å²	66.4	24%	0.243	32%	0.318	C	S	.	.			trans	-77	129.1	-170.1	-60.8	-57.1	130.8	0	0	110.4	L348 G349 S359 R363	L348-E361 WeakPolarHBondContact CA-O 3.34Å; G349-E361 PolarHBondContact N-O 2.84Å; S359-E361 PolarHBondContact OG-N 3.15Å; S359-E361 VanDerWaalsContact OG-N 3.14Å; E361-R363 HydrophobicContact CB-CG 4.33Å
362	L	95.8	Very high	88.1	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.6	166	-177.1	70.5	0	0	0	106.9	V346 L348 L375 L394 F417 W424	V346-L362 HydrophobicContact CG1-CD1 3.37Å; V346-L362 HydrophobicContact CG1-CG 4.06Å; L348-L362 HydrophobicContact CB-CD1 3.96Å; L348-L362 HydrophobicContact CD1-CB 3.96Å; L348-L362 HydrophobicContact CD1-CD1 3.92Å; L348-L362 HydrophobicContact CG-CD1 4.43Å; L362-L375 HydrophobicContact CB-CB 4.21Å; L362-L375 HydrophobicContact CD2-CB 3.76Å; L362-L375 HydrophobicContact CD2-CD1 3.74Å; L362-L375 HydrophobicContact CD2-CG 4.4Å; L362-L375 HydrophobicContact CG-CB 3.98Å; L362-L375 HydrophobicContact CG-CD1 4.01Å; L362-L375 PolarHBondContact O-N 2.82Å; L362-L394 HydrophobicContact CD1-CD2 3.76Å; L362-F417 HydrophobicContact CD2-CD1 3.82Å; L362-F417 HydrophobicContact CD2-CD2 3.92Å; L362-F417 HydrophobicContact CD2-CE1 3.67Å; L362-F417 HydrophobicContact CD2-CE2 3.78Å; L362-F417 HydrophobicContact CD2-CG 3.93Å; L362-F417 HydrophobicContact CD2-CZ 3.65Å; L362-W424 HydrophobicContact CB-CZ2 4.27Å; L362-W424 HydrophobicContact CD1-CZ2 4.47Å; L362-W424 HydrophobicContact CD2-CZ2 3.83Å; L362-W424 HydrophobicContact CG-CZ2 4.41Å
363	R	95.4	Very high	88.5	Confident	31 Å²	31	68.8 Å²	68.8	12%	0.117	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.2	-177.7	-62.1	178	177.9	159.3	-1.9	110	V346 T347 E361 W372 K373 E627	V346-R363 CarbonylContact C-O 3.54Å; V346-R363 VanDerWaalsContact CA-O 3.27Å; V346-R363 WeakPolarHBondContact CA-O 3.46Å; T347-R363 PolarHBondContact N-O 3.11Å; T347-R363 PolarHBondContact O-N 2.79Å; E361-R363 HydrophobicContact CB-CG 4.33Å; R363-W372 HydrophobicContact CB-CE3 3.85Å; R363-W372 HydrophobicContact CB-CZ3 4.48Å; R363-K373 CarbonylContact C-O 3.59Å; R363-K373 WeakPolarHBondContact CA-O 3.42Å; R363-E627 IonicContact CZ-OE1 3.69Å; R363-E627 IonicContact NH1-OE1 3.61Å; R363-E627 IonicContact NH2-OE1 2.82Å; R363-E627 PolarHBondContact NH2-OE1 2.9Å
364	M	95	Very high	89.5	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	146.5	170.8	66.3	151.9	-68.3	0	0	110.3	H344 L345 V346 D366 W372 K373 L375 V639 P641	H344-M364 HydrophobicContact CB-CB 4.41Å; H344-M364 HydrophobicContact CB-CE 3.79Å; H344-M364 WeakPolarHBondContact ND1-CE 3.25Å; L345-M364 CarbonylContact O-C 3.46Å; L345-M364 WeakPolarHBondContact O-CA 3.49Å; V346-M364 HydrophobicContact CG2-CB 4.03Å; M364-D366 HydrophobicContact CE-CB 4.43Å; M364-W372 CarbonylContact O-C 3.56Å; M364-W372 WeakPolarHBondContact O-CA 3.43Å; M364-K373 HydrophobicContact CG-CB 4.13Å; M364-K373 PolarHBondContact N-O 2.86Å; M364-K373 PolarHBondContact O-N 3.07Å; M364-L375 HydrophobicContact CB-CD1 4.13Å; M364-L375 HydrophobicContact CB-CG 4.36Å; M364-L375 HydrophobicContact CG-CD1 4.4Å; M364-L375 HydrophobicContact CG-CD2 4.19Å; M364-L375 HydrophobicContact CG-CG 4.15Å; M364-L375 HydrophobicContact SD-CD2 4.37Å; M364-V639 HydrophobicContact SD-CG1 4.08Å; M364-P641 HydrophobicContact CE-CB 4.5Å; M364-P641 HydrophobicContact CE-CG 4.33Å; M364-P641 HydrophobicContact SD-CB 4.26Å; M364-P641 HydrophobicContact SD-CG 4.49Å
365	Y	93.1	Very high	90.6	Very high	13 Å²	13	58.9 Å²	58.9	5%	0.051	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.2	173.4	-171.5	-109.8	0	0	0	109.9	H344 L345 E367 H370 W372 F623	H344-Y365 PolarHBondContact ND1-O 3.11Å; L345-Y365 PolarHBondContact O-N 3.06Å; Y365-E367 HydrophobicContact CD1-CG 4.1Å; Y365-E367 HydrophobicContact CE1-CG 4.3Å; Y365-H370 WeakPolarHBondContact OH-CA 3.37Å; Y365-H370 PolarHBondContact OH-ND1 3.24Å; Y365-W372 HydrophobicContact CD2-CD2 4.01Å; Y365-W372 AromaticContact CD2-CE2 3.84Å; Y365-W372 HydrophobicContact CD2-CG 4.22Å; Y365-W372 HydrophobicContact CD2-CZ2 4.3Å; Y365-W372 AromaticContact CD2-NE1 3.9Å; Y365-F623 AromaticContact CD1-CE1 3.82Å; Y365-F623 HydrophobicContact CD1-CE1 3.82Å; Y365-F623 HydrophobicContact CD1-CE2 4.4Å; Y365-F623 AromaticContact CD1-CZ 3.7Å; Y365-F623 HydrophobicContact CD1-CZ 3.7Å; Y365-F623 HydrophobicContact CD2-CD2 4.36Å; Y365-F623 HydrophobicContact CD2-CE2 4.08Å; Y365-F623 HydrophobicContact CD2-CZ 4.18Å; Y365-F623 AromaticContact CE1-CD1 3.79Å; Y365-F623 HydrophobicContact CE1-CD1 3.79Å; Y365-F623 AromaticContact CE1-CE1 3.28Å; Y365-F623 HydrophobicContact CE1-CE1 3.28Å; Y365-F623 HydrophobicContact CE1-CE2 4.45Å; Y365-F623 AromaticContact CE1-CZ 3.67Å; Y365-F623 HydrophobicContact CE1-CZ 3.67Å; Y365-F623 AromaticContact CE2-CD1 3.97Å; Y365-F623 HydrophobicContact CE2-CD1 3.97Å; Y365-F623 HydrophobicContact CE2-CD2 4.05Å; Y365-F623 HydrophobicContact CE2-CE1 4.08Å; Y365-F623 HydrophobicContact CE2-CE2 4.13Å; Y365-F623 AromaticContact CE2-CG 3.97Å; Y365-F623 HydrophobicContact CE2-CG 3.97Å; Y365-F623 HydrophobicContact CE2-CZ 4.16Å; Y365-F623 HydrophobicContact CG-CE1 4.41Å; Y365-F623 HydrophobicContact CG-CE2 4.23Å; Y365-F623 AromaticContact CG-CZ 3.96Å; Y365-F623 HydrophobicContact CG-CZ 3.96Å; Y365-F623 AromaticContact CZ-CD1 3.41Å; Y365-F623 VanDerWaalsContact CZ-CD1 3.41Å; Y365-F623 AromaticContact CZ-CE1 3.43Å; Y365-F623 VanDerWaalsContact CZ-CE1 3.43Å; Y365-F623 AromaticContact CZ-CG 3.89Å; Y365-F623 AromaticContact CZ-CZ 3.91Å; Y365-F623 VanDerWaalsContact OH-CD1 3.28Å; Y365-F623 WeakPolarHBondContact OH-CD1 3.49Å
366	D	90	Very high	91.5	Very high	19 Å²	19	53.7 Å²	53.7	10%	0.102	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	105.4	171.9	-174.8	-20.3	0	0	0	108.9	M364 K368 A369 H370 E371 K373	M364-D366 HydrophobicContact CE-CB 4.43Å; D366-K368 PolarHBondContact O-N 3.38Å; D366-K368 PolarHBondContact OD1-N 2.8Å; D366-A369 HydrophobicContact CB-CB 4.09Å; D366-A369 PolarHBondContact O-N 3.24Å; D366-A369 PolarHBondContact OD1-N 2.79Å; D366-H370 WeakPolarHBondContact O-CA 3.1Å; D366-H370 PolarHBondContact O-N 3.01Å; D366-E371 PolarHBondContact N-O 2.93Å; D366-E371 PolarHBondContact O-N 3.34Å; D366-K373 HydrophobicContact CB-CD 4.13Å; D366-K373 WeakPolarHBondContact OD2-CE 3.23Å; D366-K373 IonicContact OD2-NZ 3.26Å; D366-K373 PolarHBondContact OD2-NZ 2.83Å
367	E	85.6	Confident	92.2	Very high	72 Å²	72	51.2 Å²	51.2	34%	0.336	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-26.1	-177.1	-54.8	-163.9	126.6	0	0	113.7	Y365 H370 F588	Y365-E367 HydrophobicContact CD1-CG 4.1Å; Y365-E367 HydrophobicContact CE1-CG 4.3Å; E367-H370 PolarHBondContact O-CE1 2.93Å; E367-H370 VanDerWaalsContact O-CE1 3.28Å; E367-H370 PolarHBondContact O-ND1 2.91Å; E367-F588 WeakPolarHBondContact OE1-CE1 3.47Å; E367-F588 WeakPolarHBondContact OE1-CZ 3.47Å
368	K	86.4	Confident	92.5	Very high	170 Å²	170	48 Å²	48	74%	0.739	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-38.8	-179	-66.4	-178.1	-179.8	176	0	111.3	D366 H370	D366-K368 PolarHBondContact O-N 3.38Å; D366-K368 PolarHBondContact OD1-N 2.8Å; K368-H370 VanDerWaalsContact C-N 3.34Å
369	A	87.4	Confident	92.5	Very high	41 Å²	41	54.2 Å²	54.2	34%	0.339	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-16.7	175.4	0	0	0	0	0	112.4	D366 E371	D366-A369 HydrophobicContact CB-CB 4.09Å; D366-A369 PolarHBondContact O-N 3.24Å; D366-A369 PolarHBondContact OD1-N 2.79Å; A369-E371 HydrophobicContact CB-CB 4.21Å; A369-E371 PolarHBondContact O-N 3.07Å
370	H	88.3	Confident	92.4	Very high	139 Å²	139	54.8 Å²	54.8	64%	0.644	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	33.4	-169	-65.7	-66.7	0	0	0	113.8	Y365 D366 E367 K368	Y365-H370 WeakPolarHBondContact OH-CA 3.37Å; Y365-H370 PolarHBondContact OH-ND1 3.24Å; D366-H370 WeakPolarHBondContact O-CA 3.1Å; D366-H370 PolarHBondContact O-N 3.01Å; E367-H370 PolarHBondContact O-CE1 2.93Å; E367-H370 VanDerWaalsContact O-CE1 3.28Å; E367-H370 PolarHBondContact O-ND1 2.91Å; K368-H370 VanDerWaalsContact C-N 3.34Å
371	E	91	Very high	92.4	Very high	122 Å²	122	52.5 Å²	52.5	57%	0.57	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.4	-171.7	-74.3	178.8	175.1	0	0	112.7	D366 A369	D366-E371 PolarHBondContact N-O 2.93Å; D366-E371 PolarHBondContact O-N 3.34Å; A369-E371 HydrophobicContact CB-CB 4.21Å; A369-E371 PolarHBondContact O-N 3.07Å
372	W	91.8	Very high	92.3	Very high	41 Å²	41	50.4 Å²	50.4	16%	0.155	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.8	170.9	-70.2	95	0	0	0	110.5	L345 T347 R363 M364 Y365 F623 D624 L625 P626	L345-W372 HydrophobicContact CD2-CH2 3.79Å; L345-W372 HydrophobicContact CD2-CZ2 4.31Å; L345-W372 HydrophobicContact CG-CH2 4.06Å; T347-W372 HydrophobicContact CG2-CH2 3.36Å; T347-W372 HydrophobicContact CG2-CZ2 4.33Å; T347-W372 HydrophobicContact CG2-CZ3 3.61Å; T347-W372 WeakPolarHBondContact OG1-CZ3 3.48Å; R363-W372 HydrophobicContact CB-CE3 3.85Å; R363-W372 HydrophobicContact CB-CZ3 4.48Å; M364-W372 CarbonylContact O-C 3.56Å; M364-W372 WeakPolarHBondContact O-CA 3.43Å; Y365-W372 HydrophobicContact CD2-CD2 4.01Å; Y365-W372 AromaticContact CD2-CE2 3.84Å; Y365-W372 HydrophobicContact CD2-CG 4.22Å; Y365-W372 HydrophobicContact CD2-CZ2 4.3Å; Y365-W372 AromaticContact CD2-NE1 3.9Å; W372-F623 HydrophobicContact CZ2-CD2 4.25Å; W372-F623 AromaticContact CZ2-CE2 3.74Å; W372-F623 HydrophobicContact CZ2-CE2 3.74Å; W372-D624 PolarHBondContact NE1-O 2.84Å; W372-L625 HydrophobicContact CH2-CD2 4.14Å; W372-L625 HydrophobicContact CZ2-CD2 3.6Å; W372-P626 HydrophobicContact CB-CG 3.91Å; W372-P626 HydrophobicContact CG-CG 3.97Å
373	K	93.4	Very high	92.2	Very high	41 Å²	41	50.4 Å²	50.4	18%	0.178	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.6	176.8	-66.7	-178.1	174.6	174	0	110.8	R363 M364 D366 P642	R363-K373 CarbonylContact C-O 3.59Å; R363-K373 WeakPolarHBondContact CA-O 3.42Å; M364-K373 HydrophobicContact CG-CB 4.13Å; M364-K373 PolarHBondContact N-O 2.86Å; M364-K373 PolarHBondContact O-N 3.07Å; D366-K373 HydrophobicContact CB-CD 4.13Å; D366-K373 WeakPolarHBondContact OD2-CE 3.23Å; D366-K373 IonicContact OD2-NZ 3.26Å; D366-K373 PolarHBondContact OD2-NZ 2.83Å; K373-P642 HydrophobicContact CB-CG 3.99Å; K373-P642 HydrophobicContact CD-CG 4.45Å
374	S	93.8	Very high	92.1	Very high	67 Å²	67	49.6 Å²	49.6	47%	0.469	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	130.3	178.1	-66.4	0	0	0	0	111.6
375	L	95.8	Very high	92.2	Very high	8 Å²	8	49.6 Å²	49.6	4%	0.042	26%	0.261	C	S	.	.			trans	-92	-177.2	163.9	-63.1	177.1	0	0	0	109.3	L362 M364 P377 F417 V639	L362-L375 HydrophobicContact CB-CB 4.21Å; L362-L375 HydrophobicContact CD2-CB 3.76Å; L362-L375 HydrophobicContact CD2-CD1 3.74Å; L362-L375 HydrophobicContact CD2-CG 4.4Å; L362-L375 HydrophobicContact CG-CB 3.98Å; L362-L375 HydrophobicContact CG-CD1 4.01Å; L362-L375 PolarHBondContact O-N 2.82Å; M364-L375 HydrophobicContact CB-CD1 4.13Å; M364-L375 HydrophobicContact CB-CG 4.36Å; M364-L375 HydrophobicContact CG-CD1 4.4Å; M364-L375 HydrophobicContact CG-CD2 4.19Å; M364-L375 HydrophobicContact CG-CG 4.15Å; M364-L375 HydrophobicContact SD-CD2 4.37Å; L375-P377 WeakPolarHBondContact O-CD 3.39Å; L375-F417 HydrophobicContact CB-CZ 4.34Å; L375-F417 HydrophobicContact CD1-CE1 4.26Å; L375-F417 HydrophobicContact CD1-CZ 4.22Å; L375-V639 HydrophobicContact CD1-CG1 4.21Å; L375-V639 HydrophobicContact CD1-CG2 4.26Å; L375-V639 HydrophobicContact CD2-CG2 4.08Å
376	A	95.4	Very high	92.4	Very high	21 Å²	21	49.1 Å²	49.1	17%	0.174	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-59.6	123.9	177	0	0	0	0	0	110	F417 N422 W424	A376-F417 HydrophobicContact CB-CE2 4.34Å; A376-N422 WeakPolarHBondContact CB-O 3.46Å; A376-N422 WeakPolarHBondContact CB-OD1 3.46Å; A376-N422 PolarHBondContact N-ND2 2.8Å; A376-N422 PolarHBondContact N-OD1 2.9Å; A376-W424 PolarHBondContact O-NE1 2.81Å
377	P	95.7	Very high	92.8	Very high	52 Å²	52	49.6 Å²	49.6	34%	0.338	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-71.4	159.5	179.5	30.4	-35.1	0	0	0	110.6	K360 L375 W424	K360-P377 HydrophobicContact CG-CB 4.16Å; L375-P377 WeakPolarHBondContact O-CD 3.39Å; P377-W424 PolarHBondContact O-NE1 2.8Å
378	M	95.2	Very high	93.4	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.015	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-69.3	154.3	167.8	-66.2	-176.3	65.1	0	0	110.8	L348 K360 A380 R382 V396 F415 W424	L348-M378 HydrophobicContact CD1-CG 4.07Å; L348-M378 HydrophobicContact CD1-SD 3.87Å; L348-M378 HydrophobicContact CD2-SD 3.88Å; L348-M378 HydrophobicContact CG-SD 4.32Å; K360-M378 HydrophobicContact CB-CB 4.36Å; K360-M378 WeakPolarHBondContact CD-O 3.36Å; K360-M378 PolarHBondContact O-N 2.9Å; M378-A380 VanDerWaalsContact C-N 3.35Å; M378-A380 WeakPolarHBondContact CB-O 3.43Å; M378-R382 HydrophobicContact CE-CG 3.67Å; M378-R382 HydrophobicContact SD-CB 4.47Å; M378-R382 HydrophobicContact SD-CG 4Å; M378-V396 HydrophobicContact CE-CB 4.25Å; M378-V396 HydrophobicContact CE-CG1 3.84Å; M378-V396 HydrophobicContact SD-CB 4.36Å; M378-V396 HydrophobicContact SD-CG1 3.88Å; M378-V396 HydrophobicContact SD-CG2 4.25Å; M378-F415 HydrophobicContact CE-CB 4.03Å; M378-F415 HydrophobicContact CE-CD2 3.45Å; M378-F415 VanDerWaalsContact CE-CD2 3.45Å; M378-F415 HydrophobicContact CE-CE2 4.12Å; M378-F415 HydrophobicContact CE-CG 3.87Å; M378-W424 HydrophobicContact CG-CD2 4.12Å; M378-W424 HydrophobicContact CG-CE3 4.35Å; M378-W424 HydrophobicContact CG-CH2 3.8Å; M378-W424 HydrophobicContact CG-CZ2 3.53Å; M378-W424 HydrophobicContact CG-CZ3 4.19Å; M378-W424 HydrophobicContact SD-CH2 4.14Å; M378-W424 HydrophobicContact SD-CZ2 4.43Å; M378-W424 HydrophobicContact SD-CZ3 4.44Å
379	D	91	Very high	94	Very high	146 Å²	146	40.7 Å²	40.7	78%	0.781	23%	0.229	S	C	*	.	S	Bend	trans	-67.6	-38.4	172	-68	-31.6	0	0	0	111.8
380	A	90.9	Very high	94.5	Very high	25 Å²	25	39.3 Å²	39.3	21%	0.207	22%	0.216	C	C	.	.	S	Bend	trans	-113.1	135.6	179.4	0	0	0	0	0	111.3	M378	M378-A380 VanDerWaalsContact C-N 3.35Å; M378-A380 WeakPolarHBondContact CB-O 3.43Å
381	P	93.5	Very high	94.8	Very high	39 Å²	39	34 Å²	34	25%	0.253	20%	0.199	S	C	.	.			trans	-69.7	151.2	177.3	32	-36.9	0	0	0	111.7	V358 S359 K360	V358-P381 HydrophobicContact CB-CB 3.88Å; V358-P381 HydrophobicContact CB-CG 4.39Å; V358-P381 HydrophobicContact CG1-CB 3.77Å; V358-P381 WeakPolarHBondContact O-CB 2.92Å; S359-P381 WeakPolarHBondContact O-CA 3.19Å; S359-P381 WeakPolarHBondContact O-CB 3.45Å; K360-P381 HydrophobicContact CB-CB 4.11Å
382	R	94.3	Very high	95.1	Very high	9 Å²	9	30.1 Å²	30.1	3%	0.034	18%	0.181	C	C	.	.			trans	-143.8	133.9	-175.8	-66.8	-72.6	173.3	-103.8	9.9	111.7	G349 G350 S359 M378 H385 V396 G398 S401 T413	G349-R382 CarbonylContact C-O 3.59Å; G349-R382 VanDerWaalsContact CA-O 3.26Å; G349-R382 WeakPolarHBondContact CA-O 3.25Å; G350-R382 PolarHBondContact N-O 2.58Å; S359-R382 PolarHBondContact O-N 3.06Å; M378-R382 HydrophobicContact CE-CG 3.67Å; M378-R382 HydrophobicContact SD-CB 4.47Å; M378-R382 HydrophobicContact SD-CG 4Å; R382-H385 HydrophobicContact CB-CB 4.32Å; R382-H385 WeakPolarHBondContact CB-ND1 3.3Å; R382-H385 PolarHBondContact O-ND1 3.31Å; R382-V396 HydrophobicContact CG-CG1 4.22Å; R382-G398 WeakPolarHBondContact CD-O 3.5Å; R382-S401 PolarHBondContact NH1-OG 3.17Å; R382-T413 PolarHBondContact NH2-OG1 2.69Å
383	Y	92.7	Very high	95.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-137.2	158.8	161.8	77.2	-66	0	0	0	109.6	V351 V358 H385 Q400 N402 Y403 D404	V351-Y383 HydrophobicContact CB-CD2 4.16Å; V351-Y383 HydrophobicContact CB-CG 4.06Å; V351-Y383 HydrophobicContact CG1-CD2 3.84Å; V351-Y383 HydrophobicContact CG1-CE2 4.4Å; V351-Y383 HydrophobicContact CG1-CG 4.25Å; V358-Y383 HydrophobicContact CB-CD1 4.27Å; V358-Y383 HydrophobicContact CG1-CD1 3.63Å; V358-Y383 HydrophobicContact CG1-CG 4.26Å; V358-Y383 HydrophobicContact CG2-CD1 3.52Å; V358-Y383 HydrophobicContact CG2-CE1 3.82Å; V358-Y383 HydrophobicContact CG2-CG 4.42Å; Y383-H385 PolarHBondContact O-N 3.47Å; Y383-Q400 HydrophobicContact CD1-CB 4.04Å; Y383-Q400 VanDerWaalsContact CD1-O 3.23Å; Y383-Q400 WeakPolarHBondContact CD1-O 3.45Å; Y383-Q400 HydrophobicContact CE1-CB 3.31Å; Y383-Q400 HydrophobicContact CE1-CG 4.44Å; Y383-Q400 PolarHBondContact N-O 2.91Å; Y383-Q400 PolarHBondContact O-N 2.83Å; Y383-Q400 PolarHBondContact OH-NE2 3.06Å; Y383-N402 WeakPolarHBondContact CE1-O 3.38Å; Y383-N402 PolarHBondContact OH-O 2.85Å; Y383-Y403 HydrophobicContact CE2-CD2 4.4Å; Y383-Y403 VanDerWaalsContact OH-CA 3.29Å; Y383-Y403 WeakPolarHBondContact OH-CA 3.31Å; Y383-D404 PolarHBondContact OH-N 3.37Å; Y383-D404 PolarHBondContact OH-O 2.94Å
384	Q	94	Very high	95.7	Very high	13 Å²	13	26.4 Å²	26.4	6%	0.061	17%	0.167	C	C	.	.	S	Bend	trans	54.6	24.1	-175.6	-68.8	166.3	-5.1	0	0	114.6	T435 F436 D582 G631	Q384-T435 WeakPolarHBondContact CB-OG1 3.39Å; Q384-T435 PolarHBondContact O-OG1 3Å; Q384-F436 HydrophobicContact CG-CD1 4.16Å; Q384-F436 HydrophobicContact CG-CE1 3.96Å; Q384-F436 HydrophobicContact CG-CZ 4.31Å; Q384-F436 PolarHBondContact O-N 3.47Å; Q384-D582 VanDerWaalsContact CG-OD2 3.29Å; Q384-D582 WeakPolarHBondContact CG-OD2 3.4Å; Q384-D582 PolarHBondContact NE2-OD2 2.96Å; Q384-G631 PolarHBondContact N-O 3.28Å
385	H	96.8	Very high	95.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.144	C	C	.	.			trans	-80.1	161.7	172.9	57.6	-85.2	0	0	0	110.1	R382 Y383 I387 V396 V397 R633	R382-H385 HydrophobicContact CB-CB 4.32Å; R382-H385 WeakPolarHBondContact CB-ND1 3.3Å; R382-H385 PolarHBondContact O-ND1 3.31Å; Y383-H385 PolarHBondContact O-N 3.47Å; H385-I387 WeakPolarHBondContact CD2-CG2 3.48Å; H385-V396 HydrophobicContact CB-CG1 4.29Å; H385-V397 WeakPolarHBondContact CB-O 3.2Å; H385-R633 WeakPolarHBondContact NE2-CG 3.43Å; H385-R633 PolarHBondContact O-NE 2.89Å
386	G	97.6	Very high	96	Very high	4 Å²	4	22.9 Å²	22.9	4%	0.041	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	143.1	167.6	0	0	0	0	0	110.4	V396 V397	G386-V396 WeakPolarHBondContact O-CA 3.43Å; G386-V397 PolarHBondContact N-O 3.25Å; G386-V397 PolarHBondContact O-N 2.88Å
387	I	97.8	Very high	96.2	Very high	28 Å²	28	21.9 Å²	21.9	14%	0.144	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.4	166.4	64.9	166.5	0	0	0	111.7	L348 H385 L394 Y395 V396 R633 A634 C635	L348-I387 HydrophobicContact CD2-CG2 4.37Å; H385-I387 WeakPolarHBondContact CD2-CG2 3.48Å; I387-L394 HydrophobicContact CB-CD1 3.92Å; I387-L394 HydrophobicContact CD1-CD1 4.48Å; I387-L394 HydrophobicContact CG2-CD1 4.25Å; I387-Y395 VanDerWaalsContact CA-O 3.23Å; I387-Y395 WeakPolarHBondContact CA-O 3.29Å; I387-V396 HydrophobicContact CG2-CG2 4.33Å; I387-R633 HydrophobicContact CB-CB 4.43Å; I387-R633 HydrophobicContact CD1-CB 3.54Å; I387-R633 HydrophobicContact CG1-CB 3.79Å; I387-R633 HydrophobicContact CG1-CG 4.38Å; I387-R633 HydrophobicContact CG2-CB 3.8Å; I387-R633 HydrophobicContact CG2-CG 4.16Å; I387-A634 VanDerWaalsContact CD1-O 3.26Å; I387-A634 WeakPolarHBondContact CD1-O 3.43Å; I387-C635 HydrophobicContact CD1-CB 3.87Å
388	A	98.3	Very high	96.3	Very high	10 Å²	10	19.4 Å²	19.4	8%	0.083	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	155	176.3	0	0	0	0	0	109.3	Y395 L439 A441 L446	A388-Y395 PolarHBondContact N-O 3.23Å; A388-Y395 PolarHBondContact O-N 2.93Å; A388-L439 HydrophobicContact CB-CD2 3.74Å; A388-L439 HydrophobicContact CB-CG 3.97Å; A388-A441 HydrophobicContact CB-CB 4.23Å; A388-L446 HydrophobicContact CB-CD2 3.56Å
389	V	98.4	Very high	96.4	Very high	46 Å²	46	19.3 Å²	19.3	28%	0.279	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.4	179.4	-179.1	0	0	0	0	109.2	F393 L394 A441 C635 L637	V389-F393 VanDerWaalsContact CA-O 3.3Å; V389-F393 WeakPolarHBondContact CA-O 3.34Å; V389-L394 HydrophobicContact CG2-CD1 4.34Å; V389-A441 WeakPolarHBondContact O-CB 3.41Å; V389-C635 HydrophobicContact CG2-CB 4.17Å; V389-L637 HydrophobicContact CB-CD2 4.49Å; V389-L637 HydrophobicContact CG1-CD2 3.8Å; V389-L637 HydrophobicContact CG2-CD2 3.79Å
390	I	98.1	Very high	96.5	Very high	12 Å²	12	12.3 Å²	12.3	6%	0.062	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.2	169.8	-59.5	175.6	0	0	0	107.2	P329 V330 N392 F393 Y395 A441 L446 P466	P329-I390 HydrophobicContact CB-CB 3.94Å; P329-I390 HydrophobicContact CB-CG2 3.64Å; P329-I390 WeakPolarHBondContact CB-O 3.48Å; V330-I390 HydrophobicContact CG1-CG2 4Å; I390-N392 PolarHBondContact O-N 3.42Å; I390-F393 PolarHBondContact N-O 3.29Å; I390-F393 WeakPolarHBondContact O-CB 3.32Å; I390-F393 PolarHBondContact O-N 2.92Å; I390-Y395 HydrophobicContact CB-CE2 4.21Å; I390-Y395 HydrophobicContact CD1-CE2 4.34Å; I390-Y395 HydrophobicContact CG1-CE2 4.44Å; I390-A441 HydrophobicContact CD1-CB 4.41Å; I390-A441 HydrophobicContact CG1-CB 3.68Å; I390-L446 HydrophobicContact CD1-CD2 3.41Å; I390-L446 VanDerWaalsContact CD1-CD2 3.41Å; I390-L446 HydrophobicContact CD1-CG 3.66Å; I390-L446 HydrophobicContact CG1-CD2 3.82Å; I390-P466 HydrophobicContact CD1-CG 4.27Å
391	G	96.4	Very high	96.6	Very high	28 Å²	28	12.7 Å²	12.7	29%	0.289	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	38.5	175.1	0	0	0	0	0	114.1	P329 F393	P329-G391 WeakPolarHBondContact O-CA 3.15Å; G391-F393 WeakPolarHBondContact O-CD2 3.43Å; G391-F393 WeakPolarHBondContact O-CE2 3.26Å; G391-F393 PolarHBondContact O-N 3.45Å
392	N	97.2	Very high	96.3	Very high	39 Å²	39	15.9 Å²	15.9	21%	0.209	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	11.3	-174.3	-163.2	49.3	0	0	0	115.4	I390 P419 T638	I390-N392 PolarHBondContact O-N 3.42Å; N392-P419 WeakPolarHBondContact ND2-CG 3.39Å; N392-P419 WeakPolarHBondContact O-CD 3.45Å; N392-P419 WeakPolarHBondContact O-CG 3.19Å; N392-T638 PolarHBondContact ND2-O 2.77Å; N392-T638 PolarHBondContact OD1-N 3.1Å
393	F	98.1	Very high	96	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.018	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.2	168.4	-63.8	-100.5	0	0	0	109.9	Q328 P329 V389 I390 G391 Y395 R416 D418	Q328-F393 HydrophobicContact CB-CE2 4.3Å; Q328-F393 HydrophobicContact CB-CZ 3.89Å; P329-F393 HydrophobicContact CB-CB 4.4Å; P329-F393 HydrophobicContact CB-CD2 3.82Å; P329-F393 HydrophobicContact CB-CE2 4.45Å; P329-F393 HydrophobicContact CB-CG 4.31Å; P329-F393 HydrophobicContact CG-CB 4.07Å; P329-F393 HydrophobicContact CG-CD1 4.43Å; P329-F393 HydrophobicContact CG-CD2 3.68Å; P329-F393 HydrophobicContact CG-CE2 4.21Å; P329-F393 HydrophobicContact CG-CG 3.82Å; V389-F393 VanDerWaalsContact CA-O 3.3Å; V389-F393 WeakPolarHBondContact CA-O 3.34Å; I390-F393 PolarHBondContact N-O 3.29Å; I390-F393 WeakPolarHBondContact O-CB 3.32Å; I390-F393 PolarHBondContact O-N 2.92Å; G391-F393 WeakPolarHBondContact O-CD2 3.43Å; G391-F393 WeakPolarHBondContact O-CE2 3.26Å; G391-F393 PolarHBondContact O-N 3.45Å; F393-Y395 HydrophobicContact CB-CE2 4.26Å; F393-R416 HydrophobicContact CB-CG 3.99Å; F393-R416 HydrophobicContact CD1-CG 4.36Å; F393-D418 HydrophobicContact CD1-CB 4.09Å; F393-D418 HydrophobicContact CE1-CB 3.94Å; F393-D418 VanDerWaalsContact CE1-CG 3.44Å; F393-D418 WeakPolarHBondContact CE1-OD2 3.42Å
394	L	98.6	Very high	95.8	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.6	176.7	166	66.7	0	0	0	110	L362 I387 V389 V396 R416 F417 W424 L637	L362-L394 HydrophobicContact CD1-CD2 3.76Å; I387-L394 HydrophobicContact CB-CD1 3.92Å; I387-L394 HydrophobicContact CD1-CD1 4.48Å; I387-L394 HydrophobicContact CG2-CD1 4.25Å; V389-L394 HydrophobicContact CG2-CD1 4.34Å; L394-V396 HydrophobicContact CG-CG2 4.36Å; L394-R416 CarbonylContact O-C 3.57Å; L394-R416 VanDerWaalsContact O-CA 3.3Å; L394-R416 WeakPolarHBondContact O-CA 3.42Å; L394-F417 HydrophobicContact CB-CB 4.15Å; L394-F417 PolarHBondContact N-O 2.84Å; L394-F417 PolarHBondContact O-N 2.76Å; L394-W424 HydrophobicContact CD2-CH2 4.22Å; L394-L637 HydrophobicContact CB-CD1 3.82Å; L394-L637 HydrophobicContact CB-CD2 4.21Å; L394-L637 HydrophobicContact CD2-CD1 4.11Å
395	Y	98.7	Very high	95.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141.4	171.9	-75	-97.5	0	0	0	110.8	P329 I387 A388 I390 F393 V414 F415 R416 V427 L446 Y464	P329-Y395 HydrophobicContact CB-CE2 4.47Å; P329-Y395 HydrophobicContact CG-CE2 4.28Å; P329-Y395 WeakPolarHBondContact CG-OH 3.24Å; I387-Y395 VanDerWaalsContact CA-O 3.23Å; I387-Y395 WeakPolarHBondContact CA-O 3.29Å; A388-Y395 PolarHBondContact N-O 3.23Å; A388-Y395 PolarHBondContact O-N 2.93Å; I390-Y395 HydrophobicContact CB-CE2 4.21Å; I390-Y395 HydrophobicContact CD1-CE2 4.34Å; I390-Y395 HydrophobicContact CG1-CE2 4.44Å; F393-Y395 HydrophobicContact CB-CE2 4.26Å; Y395-V414 HydrophobicContact CD1-CG1 4.2Å; Y395-F415 CarbonylContact C-O 3.51Å; Y395-F415 WeakPolarHBondContact CA-O 3.45Å; Y395-R416 HydrophobicContact CD1-CB 4.14Å; Y395-R416 HydrophobicContact CD1-CG 4.26Å; Y395-R416 HydrophobicContact CD2-CG 4.3Å; Y395-R416 HydrophobicContact CE1-CB 4.01Å; Y395-R416 HydrophobicContact CE1-CG 3.97Å; Y395-R416 HydrophobicContact CE2-CG 3.99Å; Y395-R416 HydrophobicContact CG-CG 4.44Å; Y395-V427 HydrophobicContact CD1-CG2 4.49Å; Y395-V427 HydrophobicContact CE1-CG2 4.23Å; Y395-L446 HydrophobicContact CD1-CD1 3.5Å; Y395-L446 HydrophobicContact CD2-CD1 4.11Å; Y395-L446 HydrophobicContact CE1-CD1 3.97Å; Y395-L446 HydrophobicContact CG-CD1 3.55Å; Y395-Y464 HydrophobicContact CE1-CD1 4.45Å; Y395-Y464 AromaticContact CE1-CE1 3.88Å; Y395-Y464 HydrophobicContact CE1-CE1 3.88Å
396	V	98.4	Very high	94.8	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	112.2	177.3	-178.1	0	0	0	0	107.5	L348 M378 R382 H385 G386 I387 L394 V414 F415 W424	L348-V396 HydrophobicContact CD2-CB 4.18Å; L348-V396 HydrophobicContact CD2-CG1 3.91Å; L348-V396 HydrophobicContact CD2-CG2 3.17Å; M378-V396 HydrophobicContact CE-CB 4.25Å; M378-V396 HydrophobicContact CE-CG1 3.84Å; M378-V396 HydrophobicContact SD-CB 4.36Å; M378-V396 HydrophobicContact SD-CG1 3.88Å; M378-V396 HydrophobicContact SD-CG2 4.25Å; R382-V396 HydrophobicContact CG-CG1 4.22Å; H385-V396 HydrophobicContact CB-CG1 4.29Å; G386-V396 WeakPolarHBondContact O-CA 3.43Å; I387-V396 HydrophobicContact CG2-CG2 4.33Å; L394-V396 HydrophobicContact CG-CG2 4.36Å; V396-V414 WeakPolarHBondContact O-CA 3.42Å; V396-F415 HydrophobicContact CB-CB 4.5Å; V396-F415 PolarHBondContact N-O 2.69Å; V396-F415 PolarHBondContact O-N 3.32Å; V396-W424 HydrophobicContact CB-CZ3 4.33Å; V396-W424 HydrophobicContact CG2-CH2 3.59Å; V396-W424 HydrophobicContact CG2-CZ3 3.56Å
397	V	98.6	Very high	94.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.7	-169.3	178.9	0	0	0	0	109.3	H385 G386 V414 L430 F437 L439 W471	H385-V397 WeakPolarHBondContact CB-O 3.2Å; G386-V397 PolarHBondContact N-O 3.25Å; G386-V397 PolarHBondContact O-N 2.88Å; V397-V414 HydrophobicContact CB-CG1 4.5Å; V397-V414 HydrophobicContact CB-CG2 4.31Å; V397-V414 HydrophobicContact CG1-CG2 3.93Å; V397-V414 HydrophobicContact CG2-CB 4.49Å; V397-V414 HydrophobicContact CG2-CG1 3.64Å; V397-V414 HydrophobicContact CG2-CG2 4.13Å; V397-L430 HydrophobicContact CG1-CD1 3.6Å; V397-L430 HydrophobicContact CG1-CD2 3.9Å; V397-L430 HydrophobicContact CG1-CG 3.82Å; V397-F437 HydrophobicContact CB-CE2 4.45Å; V397-F437 HydrophobicContact CB-CZ 3.94Å; V397-F437 HydrophobicContact CG1-CE2 4.07Å; V397-F437 HydrophobicContact CG1-CZ 3.7Å; V397-F437 WeakPolarHBondContact O-CE1 3.34Å; V397-F437 WeakPolarHBondContact O-CZ 3.41Å; V397-L439 HydrophobicContact CB-CD1 4.22Å; V397-L439 HydrophobicContact CB-CD2 3.83Å; V397-L439 HydrophobicContact CG1-CD1 4.34Å; V397-L439 HydrophobicContact CG2-CD1 3.94Å; V397-L439 HydrophobicContact CG2-CD2 3.45Å; V397-L439 VanDerWaalsContact CG2-CD2 3.45Å; V397-L439 HydrophobicContact CG2-CG 4.39Å; V397-W471 HydrophobicContact CG1-CH2 4.13Å; V397-W471 HydrophobicContact CG1-CZ2 4.05Å; V397-W471 HydrophobicContact CG2-CH2 4.33Å; V397-W471 HydrophobicContact CG2-CZ2 4.14Å
398	G	98.1	Very high	94.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.			trans	58.1	-139.6	171.2	0	0	0	0	0	114.1	R382 V411 T413	R382-G398 WeakPolarHBondContact CD-O 3.5Å; G398-V411 WeakPolarHBondContact CA-O 3.36Å; G398-V411 WeakPolarHBondContact O-CG2 3.41Å; G398-T413 PolarHBondContact N-O 3.48Å; G398-T413 VanDerWaalsContact N-O 3.15Å
399	G	96.8	Very high	93.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.			trans	83.1	-150.3	-175.9	0	0	0	0	0	112.1	A410 V411 R434	G399-A410 WeakPolarHBondContact O-CA 3.43Å; G399-V411 WeakPolarHBondContact O-CG2 3.4Å; G399-V411 PolarHBondContact O-N 2.96Å; G399-R434 PolarHBondContact N-O 2.82Å
400	Q	94.1	Very high	93.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-139.9	141.3	-175.5	-63.4	-178	105.3	0	0	110.7	Y383 D404 T409 T435	Y383-Q400 HydrophobicContact CD1-CB 4.04Å; Y383-Q400 VanDerWaalsContact CD1-O 3.23Å; Y383-Q400 WeakPolarHBondContact CD1-O 3.45Å; Y383-Q400 HydrophobicContact CE1-CB 3.31Å; Y383-Q400 HydrophobicContact CE1-CG 4.44Å; Y383-Q400 PolarHBondContact N-O 2.91Å; Y383-Q400 PolarHBondContact O-N 2.83Å; Y383-Q400 PolarHBondContact OH-NE2 3.06Å; Q400-D404 PolarHBondContact NE2-O 3.2Å; Q400-D404 PolarHBondContact OE1-O 3.12Å; Q400-D404 PolarHBondContact OE1-OD2 3.42Å; Q400-T409 PolarHBondContact OE1-OG1 2.99Å; Q400-T435 HydrophobicContact CG-CG2 4.07Å; Q400-T435 PolarHBondContact NE2-OG1 2.83Å
401	S	91.2	Very high	93.8	Very high	33 Å²	33	35 Å²	35	23%	0.231	19%	0.185	C	C	.	.	S	Bend	trans	-83.9	-26.1	173.2	-50.3	0	0	0	0	112.8	V358 R382	V358-S401 WeakPolarHBondContact CB-O 3.43Å; V358-S401 VanDerWaalsContact CG2-O 3.26Å; V358-S401 WeakPolarHBondContact CG2-O 3.42Å; R382-S401 PolarHBondContact NH1-OG 3.17Å
402	N	88.7	Confident	93.9	Very high	105 Å²	105	35.9 Å²	35.9	56%	0.561	18%	0.183	S	C	*	.	S	Bend	trans	-125.5	144.1	-173.8	-62.9	-26.5	0	0	0	109.6	Y383 D404 T409	Y383-N402 WeakPolarHBondContact CE1-O 3.38Å; Y383-N402 PolarHBondContact OH-O 2.85Å; N402-D404 PolarHBondContact O-N 3.25Å; N402-T409 HydrophobicContact CB-CG2 4.41Å; N402-T409 PolarHBondContact O-OG1 3.23Å; N402-T409 VanDerWaalsContact O-OG1 3.14Å
403	Y	87.3	Confident	93.9	Very high	68 Å²	68	35.3 Å²	35.3	27%	0.267	18%	0.181	S	C	.	.			trans	-60.7	121.2	178.2	-176.4	-93.5	0	0	0	112	V351 R353 L356 Y383 T405	V351-Y403 HydrophobicContact CG1-CD2 4.08Å; V351-Y403 HydrophobicContact CG1-CE2 4.38Å; V351-Y403 HydrophobicContact CG2-CD2 3.84Å; V351-Y403 HydrophobicContact CG2-CG 4.49Å; R353-Y403 HydrophobicContact CG-CE2 4.18Å; R353-Y403 PolarHBondContact NE-OH 3.48Å; L356-Y403 HydrophobicContact CD2-CD1 3.56Å; L356-Y403 HydrophobicContact CD2-CE1 4.06Å; L356-Y403 HydrophobicContact CD2-CG 3.85Å; Y383-Y403 HydrophobicContact CE2-CD2 4.4Å; Y383-Y403 VanDerWaalsContact OH-CA 3.29Å; Y383-Y403 WeakPolarHBondContact OH-CA 3.31Å; Y403-T405 HydrophobicContact CE1-CG2 4.18Å; Y403-T405 WeakPolarHBondContact OH-CG2 3.17Å
404	D	88.4	Confident	94	Very high	31 Å²	31	35.1 Å²	35.1	17%	0.166	18%	0.181	C	C	.	.			trans	-161	128.9	178	178.4	69.8	0	0	0	108.9	Y383 Q400 N402 K406 G407 K408 T409	Y383-D404 PolarHBondContact OH-N 3.37Å; Y383-D404 PolarHBondContact OH-O 2.94Å; Q400-D404 PolarHBondContact NE2-O 3.2Å; Q400-D404 PolarHBondContact OE1-O 3.12Å; Q400-D404 PolarHBondContact OE1-OD2 3.42Å; N402-D404 PolarHBondContact O-N 3.25Å; D404-K406 VanDerWaalsContact OD2-C 3.29Å; D404-K406 WeakPolarHBondContact OD2-CA 3.26Å; D404-K406 PolarHBondContact OD2-N 3.07Å; D404-G407 WeakPolarHBondContact OD2-CA 3.44Å; D404-G407 PolarHBondContact OD2-N 3.03Å; D404-K408 PolarHBondContact OD2-N 2.84Å; D404-T409 HydrophobicContact CB-CG2 4.18Å
405	T	83.5	Confident	93.9	Very high	78 Å²	78	36 Å²	36	48%	0.479	19%	0.185	S	C	.	.	S	Bend	trans	-91.5	-5.1	-177.7	56.1	0	0	0	0	113.1	Y403	Y403-T405 HydrophobicContact CE1-CG2 4.18Å; Y403-T405 WeakPolarHBondContact OH-CG2 3.17Å
406	K	86.4	Confident	93.9	Very high	124 Å²	124	36.1 Å²	36.1	54%	0.539	19%	0.185	S	C	.	.	S	Bend	trans	-107.7	-2.5	-173.3	-65.2	-167.8	177.2	-169.6	0	113.7	D404 K408 R452	D404-K406 VanDerWaalsContact OD2-C 3.29Å; D404-K406 WeakPolarHBondContact OD2-CA 3.26Å; D404-K406 PolarHBondContact OD2-N 3.07Å; K406-K408 HydrophobicContact CB-CG 4.37Å; K406-R452 VanDerWaalsContact C-NE 3.33Å; K406-R452 VanDerWaalsContact O-CZ 3.28Å; K406-R452 PolarHBondContact O-NE 3.06Å; K406-R452 PolarHBondContact O-NH2 3.4Å
407	G	88.5	Confident	93.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	79.1	13.8	-179.4	0	0	0	0	0	114.9	D404 T409 A410 N453 A454	D404-G407 WeakPolarHBondContact OD2-CA 3.44Å; D404-G407 PolarHBondContact OD2-N 3.03Å; G407-T409 PolarHBondContact O-N 3.35Å; G407-A410 WeakPolarHBondContact O-CB 3.39Å; G407-A410 PolarHBondContact O-N 3.31Å; G407-N453 CarbonylContact O-C 3.19Å; G407-N453 VanDerWaalsContact O-CA 3.26Å; G407-N453 WeakPolarHBondContact O-CA 3.49Å; G407-A454 PolarHBondContact O-N 3.28Å
408	K	91.8	Very high	93.8	Very high	143 Å²	143	36.7 Å²	36.7	62%	0.622	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.5	-178.1	-68.1	-176.8	176.5	-175.5	0	112.9	D404 K406	D404-K408 PolarHBondContact OD2-N 2.84Å; K406-K408 HydrophobicContact CB-CG 4.37Å
409	T	95	Very high	93.6	Very high	46 Å²	46	37 Å²	37	28%	0.282	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	19.7	-178.4	63.6	0	0	0	0	112.3	Q400 N402 D404 G407	Q400-T409 PolarHBondContact OE1-OG1 2.99Å; N402-T409 HydrophobicContact CB-CG2 4.41Å; N402-T409 PolarHBondContact O-OG1 3.23Å; N402-T409 VanDerWaalsContact O-OG1 3.14Å; D404-T409 HydrophobicContact CB-CG2 4.18Å; G407-T409 PolarHBondContact O-N 3.35Å
410	A	97.3	Very high	93.3	Very high	8 Å²	8	38.6 Å²	38.6	7%	0.066	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-54.4	142.4	175.1	0	0	0	0	0	111.4	G399 G407 K433 T435 N453	G399-A410 WeakPolarHBondContact O-CA 3.43Å; G407-A410 WeakPolarHBondContact O-CB 3.39Å; G407-A410 PolarHBondContact O-N 3.31Å; A410-K433 HydrophobicContact CB-CB 4Å; A410-K433 WeakPolarHBondContact O-CD 3.38Å; A410-T435 HydrophobicContact CB-CG2 4.19Å; A410-N453 HydrophobicContact CB-CB 3.96Å
411	V	97.6	Very high	93.1	Very high	25 Å²	25	41.8 Å²	41.8	15%	0.152	21%	0.208	C	C	.	.			trans	-119.6	164.7	175.5	-59.8	0	0	0	0	111	G398 G399 R434	G398-V411 WeakPolarHBondContact CA-O 3.36Å; G398-V411 WeakPolarHBondContact O-CG2 3.41Å; G399-V411 WeakPolarHBondContact O-CG2 3.4Å; G399-V411 PolarHBondContact O-N 2.96Å; V411-R434 PolarHBondContact O-N 2.96Å
412	D	97.9	Very high	93.2	Very high	47 Å²	47	43 Å²	43	25%	0.251	21%	0.213	S	C	.	.			trans	-111.1	-11.7	-179.8	46.7	26.3	0	0	0	112.5	S429 L430 K433	D412-S429 CarbonylContact O-C 3.43Å; D412-S429 VanDerWaalsContact O-CA 3.3Å; D412-S429 WeakPolarHBondContact O-CA 3.33Å; D412-S429 WeakPolarHBondContact O-CB 3.19Å; D412-L430 HydrophobicContact CB-CB 4.07Å; D412-L430 PolarHBondContact O-N 3.06Å; D412-K433 HydrophobicContact CB-CG 3.82Å; D412-K433 VanDerWaalsContact OD2-CE 3.32Å; D412-K433 WeakPolarHBondContact OD2-CE 3.41Å
413	T	98.2	Very high	93.5	Very high	27 Å²	27	44.8 Å²	44.8	17%	0.166	22%	0.215	C	C	.	.			trans	-60.4	141.3	-175.8	59.3	0	0	0	0	112	R382 G398	R382-T413 PolarHBondContact NH2-OG1 2.69Å; G398-T413 PolarHBondContact N-O 3.48Å; G398-T413 VanDerWaalsContact N-O 3.15Å
414	V	98.3	Very high	94	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.2	176.2	-174.5	0	0	0	0	110.5	Y395 V396 V397 Q426 V427 A428 L430 W471	Y395-V414 HydrophobicContact CD1-CG1 4.2Å; V396-V414 WeakPolarHBondContact O-CA 3.42Å; V397-V414 HydrophobicContact CB-CG1 4.5Å; V397-V414 HydrophobicContact CB-CG2 4.31Å; V397-V414 HydrophobicContact CG1-CG2 3.93Å; V397-V414 HydrophobicContact CG2-CB 4.49Å; V397-V414 HydrophobicContact CG2-CG1 3.64Å; V397-V414 HydrophobicContact CG2-CG2 4.13Å; V414-Q426 WeakPolarHBondContact O-CA 3.4Å; V414-Q426 WeakPolarHBondContact O-CG 3.31Å; V414-V427 HydrophobicContact CB-CG2 3.66Å; V414-V427 HydrophobicContact CG1-CG2 3.36Å; V414-V427 PolarHBondContact O-N 3.26Å; V414-A428 WeakPolarHBondContact CB-O 3.45Å; V414-A428 WeakPolarHBondContact CG2-O 3.48Å; V414-L430 HydrophobicContact CG2-CG 4.4Å; V414-W471 HydrophobicContact CG2-CZ2 4Å
415	F	98	Very high	94.3	Very high	20 Å²	20	44.5 Å²	44.5	9%	0.088	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144.4	176.8	-62.2	-84.7	0	0	0	110.5	M378 Y395 V396 W424 M425 Q426	M378-F415 HydrophobicContact CE-CB 4.03Å; M378-F415 HydrophobicContact CE-CD2 3.45Å; M378-F415 VanDerWaalsContact CE-CD2 3.45Å; M378-F415 HydrophobicContact CE-CE2 4.12Å; M378-F415 HydrophobicContact CE-CG 3.87Å; Y395-F415 CarbonylContact C-O 3.51Å; Y395-F415 WeakPolarHBondContact CA-O 3.45Å; V396-F415 HydrophobicContact CB-CB 4.5Å; V396-F415 PolarHBondContact N-O 2.69Å; V396-F415 PolarHBondContact O-N 3.32Å; F415-W424 HydrophobicContact CB-CE3 3.82Å; F415-W424 HydrophobicContact CB-CZ3 4.1Å; F415-M425 CarbonylContact C-O 3.57Å; F415-M425 WeakPolarHBondContact CA-O 3.35Å; F415-Q426 HydrophobicContact CD1-CB 4.06Å; F415-Q426 HydrophobicContact CD1-CG 4.38Å; F415-Q426 HydrophobicContact CE1-CB 3.95Å; F415-Q426 HydrophobicContact CE1-CG 4.12Å
416	R	97.9	Very high	95	Very high	3 Å²	3	45.7 Å²	45.7	1%	0.011	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.6	174	-173.1	-170.1	76	171.9	8.8	109.6	P325 P329 F393 L394 Y395 W424 M425 V427	P325-R416 VanDerWaalsContact O-CZ 3.29Å; P325-R416 PolarHBondContact O-NH1 2.77Å; P325-R416 PolarHBondContact O-NH2 3.24Å; P329-R416 VanDerWaalsContact CD-NH1 3.32Å; F393-R416 HydrophobicContact CB-CG 3.99Å; F393-R416 HydrophobicContact CD1-CG 4.36Å; L394-R416 CarbonylContact O-C 3.57Å; L394-R416 VanDerWaalsContact O-CA 3.3Å; L394-R416 WeakPolarHBondContact O-CA 3.42Å; Y395-R416 HydrophobicContact CD1-CB 4.14Å; Y395-R416 HydrophobicContact CD1-CG 4.26Å; Y395-R416 HydrophobicContact CD2-CG 4.3Å; Y395-R416 HydrophobicContact CE1-CB 4.01Å; Y395-R416 HydrophobicContact CE1-CG 3.97Å; Y395-R416 HydrophobicContact CE2-CG 3.99Å; Y395-R416 HydrophobicContact CG-CG 4.44Å; R416-W424 CarbonylContact O-C 3.54Å; R416-W424 WeakPolarHBondContact O-CA 3.18Å; R416-M425 HydrophobicContact CB-CG 4.13Å; R416-M425 PolarHBondContact N-O 2.93Å; R416-M425 PolarHBondContact NH2-SD 2.95Å; R416-M425 PolarHBondContact O-N 2.79Å; R416-V427 HydrophobicContact CB-CG1 4.19Å
417	F	98.2	Very high	95.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131	171.5	-179.1	-110.7	0	0	0	110.7	L362 L375 A376 L394 P419 N422 W424 L637	L362-F417 HydrophobicContact CD2-CD1 3.82Å; L362-F417 HydrophobicContact CD2-CD2 3.92Å; L362-F417 HydrophobicContact CD2-CE1 3.67Å; L362-F417 HydrophobicContact CD2-CE2 3.78Å; L362-F417 HydrophobicContact CD2-CG 3.93Å; L362-F417 HydrophobicContact CD2-CZ 3.65Å; L375-F417 HydrophobicContact CB-CZ 4.34Å; L375-F417 HydrophobicContact CD1-CE1 4.26Å; L375-F417 HydrophobicContact CD1-CZ 4.22Å; A376-F417 HydrophobicContact CB-CE2 4.34Å; L394-F417 HydrophobicContact CB-CB 4.15Å; L394-F417 PolarHBondContact N-O 2.84Å; L394-F417 PolarHBondContact O-N 2.76Å; F417-P419 HydrophobicContact CD1-CB 4.39Å; F417-P419 HydrophobicContact CE1-CB 3.9Å; F417-N422 WeakPolarHBondContact CE2-OD1 3.41Å; F417-N422 VanDerWaalsContact CZ-OD1 3.23Å; F417-N422 WeakPolarHBondContact CZ-OD1 3.43Å; F417-W424 HydrophobicContact CB-CD2 3.89Å; F417-W424 HydrophobicContact CB-CE3 3.64Å; F417-W424 HydrophobicContact CB-CH2 3.65Å; F417-W424 HydrophobicContact CB-CZ2 3.87Å; F417-W424 HydrophobicContact CB-CZ3 3.53Å; F417-W424 AromaticContact CD2-CD2 3.89Å; F417-W424 HydrophobicContact CD2-CD2 3.89Å; F417-W424 AromaticContact CD2-CE2 3.56Å; F417-W424 HydrophobicContact CD2-CG 4.19Å; F417-W424 AromaticContact CD2-CZ2 3.96Å; F417-W424 HydrophobicContact CD2-CZ2 3.96Å; F417-W424 AromaticContact CD2-NE1 3.62Å; F417-W424 HydrophobicContact CG-CD2 4.36Å; F417-W424 HydrophobicContact CG-CH2 4.35Å; F417-W424 HydrophobicContact CG-CZ2 4.12Å; F417-L637 HydrophobicContact CD1-CD1 4.34Å
418	D	95.9	Very high	96	Very high	13 Å²	13	41.3 Å²	41.3	7%	0.07	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	106.1	171.9	-172	-18.9	0	0	0	109.6	F393 R420 Y421 N422 K423	F393-D418 HydrophobicContact CD1-CB 4.09Å; F393-D418 HydrophobicContact CE1-CB 3.94Å; F393-D418 VanDerWaalsContact CE1-CG 3.44Å; F393-D418 WeakPolarHBondContact CE1-OD2 3.42Å; D418-R420 PolarHBondContact O-N 2.89Å; D418-R420 WeakPolarHBondContact OD1-CB 3.42Å; D418-R420 WeakPolarHBondContact OD1-CG 3.43Å; D418-R420 IonicContact OD1-CZ 2.69Å; D418-R420 PolarHBondContact OD1-N 3.19Å; D418-R420 IonicContact OD1-NE 3.35Å; D418-R420 PolarHBondContact OD1-NE 2.82Å; D418-R420 IonicContact OD1-NH2 3.83Å; D418-R420 IonicContact OD2-CZ 2.91Å; D418-R420 IonicContact OD2-NE 2.63Å; D418-R420 PolarHBondContact OD2-NE 3.28Å; D418-R420 IonicContact OD2-NH2 2.72Å; D418-R420 PolarHBondContact OD2-NH2 2.97Å; D418-Y421 PolarHBondContact O-N 3.17Å; D418-Y421 WeakPolarHBondContact OD2-CD2 3.46Å; D418-N422 PolarHBondContact O-N 2.88Å; D418-K423 PolarHBondContact N-O 2.86Å; D418-K423 PolarHBondContact O-N 3.05Å
419	P	95.1	Very high	96.4	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.039	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.1	-178.2	28.8	-35.6	0	0	0	113.5	I338 N392 F417 V639	I338-P419 HydrophobicContact CD1-CB 3.93Å; I338-P419 HydrophobicContact CD1-CG 3.91Å; N392-P419 WeakPolarHBondContact ND2-CG 3.39Å; N392-P419 WeakPolarHBondContact O-CD 3.45Å; N392-P419 WeakPolarHBondContact O-CG 3.19Å; F417-P419 HydrophobicContact CD1-CB 4.39Å; F417-P419 HydrophobicContact CE1-CB 3.9Å; P419-V639 HydrophobicContact CB-CB 3.86Å; P419-V639 HydrophobicContact CB-CG2 3.81Å
420	R	90.2	Very high	96.5	Very high	33 Å²	33	34.9 Å²	34.9	13%	0.125	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-36	-179.7	-58.8	171.1	-65.3	162.7	9.2	111.7	L289 Y321 I338 D418	L289-R420 VanDerWaalsContact CD2-CD 3.45Å; L289-R420 HydrophobicContact CD2-CG 4.22Å; Y321-R420 PolarHBondContact OH-NH1 2.88Å; I338-R420 HydrophobicContact CD1-CB 4.44Å; I338-R420 HydrophobicContact CD1-CG 3.76Å; I338-R420 HydrophobicContact CG1-CB 4.35Å; I338-R420 HydrophobicContact CG1-CG 3.48Å; I338-R420 VanDerWaalsContact CG1-CG 3.48Å; D418-R420 PolarHBondContact O-N 2.89Å; D418-R420 WeakPolarHBondContact OD1-CB 3.42Å; D418-R420 WeakPolarHBondContact OD1-CG 3.43Å; D418-R420 IonicContact OD1-CZ 2.69Å; D418-R420 PolarHBondContact OD1-N 3.19Å; D418-R420 IonicContact OD1-NE 3.35Å; D418-R420 PolarHBondContact OD1-NE 2.82Å; D418-R420 IonicContact OD1-NH2 3.83Å; D418-R420 IonicContact OD2-CZ 2.91Å; D418-R420 IonicContact OD2-NE 2.63Å; D418-R420 PolarHBondContact OD2-NE 3.28Å; D418-R420 IonicContact OD2-NH2 2.72Å; D418-R420 PolarHBondContact OD2-NH2 2.97Å
421	Y	89.3	Confident	96.6	Very high	67 Å²	67	38.6 Å²	38.6	26%	0.263	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	0.9	-176.5	-52.2	-61.6	0	0	0	112.9	L289 T291 Q322 D418 K423	L289-Y421 WeakPolarHBondContact O-CE1 3.23Å; L289-Y421 PolarHBondContact O-OH 2.67Å; T291-Y421 HydrophobicContact CG2-CE1 4.49Å; Q322-Y421 PolarHBondContact NE2-OH 3.26Å; D418-Y421 PolarHBondContact O-N 3.17Å; D418-Y421 WeakPolarHBondContact OD2-CD2 3.46Å; Y421-K423 VanDerWaalsContact C-N 3.31Å; Y421-K423 WeakPolarHBondContact O-CG 3.4Å; Y421-K423 PolarHBondContact O-N 2.77Å
422	N	93.6	Very high	96.6	Very high	60 Å²	60	40 Å²	40	32%	0.321	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	50.4	-173.9	-168.5	30.4	0	0	0	111.3	A376 F417 D418	A376-N422 WeakPolarHBondContact CB-O 3.46Å; A376-N422 WeakPolarHBondContact CB-OD1 3.46Å; A376-N422 PolarHBondContact N-ND2 2.8Å; A376-N422 PolarHBondContact N-OD1 2.9Å; F417-N422 WeakPolarHBondContact CE2-OD1 3.41Å; F417-N422 VanDerWaalsContact CZ-OD1 3.23Å; F417-N422 WeakPolarHBondContact CZ-OD1 3.43Å; D418-N422 PolarHBondContact O-N 2.88Å
423	K	94.6	Very high	96.6	Very high	141 Å²	141	42.9 Å²	42.9	61%	0.613	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.2	-173.2	-79.6	177.5	-174.4	-178.6	0	112.3	D418 Y421	D418-K423 PolarHBondContact N-O 2.86Å; D418-K423 PolarHBondContact O-N 3.05Å; Y421-K423 VanDerWaalsContact C-N 3.31Å; Y421-K423 WeakPolarHBondContact O-CG 3.4Å; Y421-K423 PolarHBondContact O-N 2.77Å
424	W	97.4	Very high	96.5	Very high	43 Å²	43	41.6 Å²	41.6	16%	0.163	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	150.3	172.9	-66.9	94.5	0	0	0	111.1	L348 L362 A376 P377 M378 L394 V396 F415 R416 F417	L348-W424 HydrophobicContact CD1-CH2 4.4Å; L348-W424 HydrophobicContact CD1-CZ2 4.3Å; L348-W424 HydrophobicContact CD2-CH2 4.24Å; L362-W424 HydrophobicContact CB-CZ2 4.27Å; L362-W424 HydrophobicContact CD1-CZ2 4.47Å; L362-W424 HydrophobicContact CD2-CZ2 3.83Å; L362-W424 HydrophobicContact CG-CZ2 4.41Å; A376-W424 PolarHBondContact O-NE1 2.81Å; P377-W424 PolarHBondContact O-NE1 2.8Å; M378-W424 HydrophobicContact CG-CD2 4.12Å; M378-W424 HydrophobicContact CG-CE3 4.35Å; M378-W424 HydrophobicContact CG-CH2 3.8Å; M378-W424 HydrophobicContact CG-CZ2 3.53Å; M378-W424 HydrophobicContact CG-CZ3 4.19Å; M378-W424 HydrophobicContact SD-CH2 4.14Å; M378-W424 HydrophobicContact SD-CZ2 4.43Å; M378-W424 HydrophobicContact SD-CZ3 4.44Å; L394-W424 HydrophobicContact CD2-CH2 4.22Å; V396-W424 HydrophobicContact CB-CZ3 4.33Å; V396-W424 HydrophobicContact CG2-CH2 3.59Å; V396-W424 HydrophobicContact CG2-CZ3 3.56Å; F415-W424 HydrophobicContact CB-CE3 3.82Å; F415-W424 HydrophobicContact CB-CZ3 4.1Å; R416-W424 CarbonylContact O-C 3.54Å; R416-W424 WeakPolarHBondContact O-CA 3.18Å; F417-W424 HydrophobicContact CB-CD2 3.89Å; F417-W424 HydrophobicContact CB-CE3 3.64Å; F417-W424 HydrophobicContact CB-CH2 3.65Å; F417-W424 HydrophobicContact CB-CZ2 3.87Å; F417-W424 HydrophobicContact CB-CZ3 3.53Å; F417-W424 AromaticContact CD2-CD2 3.89Å; F417-W424 HydrophobicContact CD2-CD2 3.89Å; F417-W424 AromaticContact CD2-CE2 3.56Å; F417-W424 HydrophobicContact CD2-CG 4.19Å; F417-W424 AromaticContact CD2-CZ2 3.96Å; F417-W424 HydrophobicContact CD2-CZ2 3.96Å; F417-W424 AromaticContact CD2-NE1 3.62Å; F417-W424 HydrophobicContact CG-CD2 4.36Å; F417-W424 HydrophobicContact CG-CH2 4.35Å; F417-W424 HydrophobicContact CG-CZ2 4.12Å
425	M	96.6	Very high	96.5	Very high	50 Å²	50	41.6 Å²	41.6	25%	0.246	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.9	164.4	67.5	179.1	-64.4	0	0	110.3	P325 Y326 F415 R416 V427	P325-M425 HydrophobicContact CB-CE 4.3Å; Y326-M425 HydrophobicContact CD1-CE 3.8Å; Y326-M425 HydrophobicContact CE1-CE 3.42Å; Y326-M425 VanDerWaalsContact CE1-CE 3.42Å; F415-M425 CarbonylContact C-O 3.57Å; F415-M425 WeakPolarHBondContact CA-O 3.35Å; R416-M425 HydrophobicContact CB-CG 4.13Å; R416-M425 PolarHBondContact N-O 2.93Å; R416-M425 PolarHBondContact NH2-SD 2.95Å; R416-M425 PolarHBondContact O-N 2.79Å; M425-V427 HydrophobicContact CE-CG1 4.46Å; M425-V427 HydrophobicContact CG-CG1 4.48Å
426	Q	97.4	Very high	96.4	Very high	104 Å²	104	41.3 Å²	41.3	49%	0.486	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	137.9	170.6	-169	171.3	-10.8	0	0	109.8	V414 F415	V414-Q426 WeakPolarHBondContact O-CA 3.4Å; V414-Q426 WeakPolarHBondContact O-CG 3.31Å; F415-Q426 HydrophobicContact CD1-CB 4.06Å; F415-Q426 HydrophobicContact CD1-CG 4.38Å; F415-Q426 HydrophobicContact CE1-CB 3.95Å; F415-Q426 HydrophobicContact CE1-CG 4.12Å
427	V	98.2	Very high	96.4	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-177	171.9	-59.1	0	0	0	0	108.9	Y326 Y395 V414 R416 M425 S429 Y464 N469	Y326-V427 HydrophobicContact CD1-CG1 4.01Å; Y326-V427 HydrophobicContact CE1-CG1 4.27Å; Y395-V427 HydrophobicContact CD1-CG2 4.49Å; Y395-V427 HydrophobicContact CE1-CG2 4.23Å; V414-V427 HydrophobicContact CB-CG2 3.66Å; V414-V427 HydrophobicContact CG1-CG2 3.36Å; V414-V427 PolarHBondContact O-N 3.26Å; R416-V427 HydrophobicContact CB-CG1 4.19Å; M425-V427 HydrophobicContact CE-CG1 4.46Å; M425-V427 HydrophobicContact CG-CG1 4.48Å; V427-S429 PolarHBondContact O-N 2.85Å; V427-Y464 HydrophobicContact CG2-CE2 4.48Å; V427-N469 WeakPolarHBondContact CB-OD1 3.25Å
428	A	98.5	Very high	96.4	Very high	25 Å²	25	42.7 Å²	42.7	21%	0.207	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-55.3	134.5	-179.3	0	0	0	0	0	112.3	V414 Y464 N469 W471	V414-A428 WeakPolarHBondContact CB-O 3.45Å; V414-A428 WeakPolarHBondContact CG2-O 3.48Å; A428-Y464 HydrophobicContact CB-CE2 4.35Å; A428-N469 WeakPolarHBondContact CB-O 3.44Å; A428-N469 PolarHBondContact N-OD1 2.84Å; A428-W471 PolarHBondContact O-NE1 3.03Å
429	S	98.6	Very high	96.6	Very high	46 Å²	46	42.6 Å²	42.6	32%	0.322	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-70.9	154.2	175.1	-63.3	0	0	0	0	111.1	D412 V427	D412-S429 CarbonylContact O-C 3.43Å; D412-S429 VanDerWaalsContact O-CA 3.3Å; D412-S429 WeakPolarHBondContact O-CA 3.33Å; D412-S429 WeakPolarHBondContact O-CB 3.19Å; V427-S429 PolarHBondContact O-N 2.85Å
430	L	98.7	Very high	96.7	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.042	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-56	153.5	169	-68.8	165.9	0	0	0	111.2	V397 D412 V414 E432 R434 A448 E462 W471	V397-L430 HydrophobicContact CG1-CD1 3.6Å; V397-L430 HydrophobicContact CG1-CD2 3.9Å; V397-L430 HydrophobicContact CG1-CG 3.82Å; D412-L430 HydrophobicContact CB-CB 4.07Å; D412-L430 PolarHBondContact O-N 3.06Å; V414-L430 HydrophobicContact CG2-CG 4.4Å; L430-E432 VanDerWaalsContact CB-O 3.24Å; L430-E432 WeakPolarHBondContact CB-O 3.46Å; L430-R434 HydrophobicContact CD1-CB 4.25Å; L430-R434 HydrophobicContact CD1-CG 4.36Å; L430-A448 HydrophobicContact CD2-CB 3.94Å; L430-E462 HydrophobicContact CD2-CB 4.46Å; L430-W471 HydrophobicContact CD2-CD2 3.76Å; L430-W471 HydrophobicContact CD2-CE3 3.75Å; L430-W471 HydrophobicContact CD2-CG 4.49Å; L430-W471 HydrophobicContact CD2-CH2 3.75Å; L430-W471 HydrophobicContact CD2-CZ2 3.76Å; L430-W471 HydrophobicContact CD2-CZ3 3.75Å; L430-W471 HydrophobicContact CG-CZ2 4.46Å
431	N	98.5	Very high	97.1	Very high	85 Å²	85	42.9 Å²	42.9	46%	0.455	22%	0.215	S	C	.	.	S	Bend	trans	-71.4	-34.2	171.1	-61.3	-79.3	0	0	0	111.3	E462 W471 Y473	N431-E462 VanDerWaalsContact CB-OE2 3.24Å; N431-E462 WeakPolarHBondContact CB-OE2 3.18Å; N431-E462 PolarHBondContact N-OE2 2.66Å; N431-E462 PolarHBondContact ND2-OE2 3.08Å; N431-W471 VanDerWaalsContact ND2-CB 3.31Å; N431-W471 WeakPolarHBondContact ND2-CB 3.23Å; N431-W471 PolarHBondContact ND2-O 3.3Å; N431-Y473 HydrophobicContact CB-CE1 4.44Å; N431-Y473 HydrophobicContact CB-CE2 3.9Å; N431-Y473 VanDerWaalsContact CB-OH 3.24Å; N431-Y473 WeakPolarHBondContact CB-OH 3.37Å
432	E	96.8	Very high	97.5	Very high	55 Å²	55	39.9 Å²	39.9	26%	0.257	20%	0.203	S	C	.	.	S	Bend	trans	-120.7	137.5	173.9	-74.9	171.6	171	0	0	111.2	L430 R434 T460 E462 Y473	L430-E432 VanDerWaalsContact CB-O 3.24Å; L430-E432 WeakPolarHBondContact CB-O 3.46Å; E432-R434 WeakPolarHBondContact O-CG 3.3Å; E432-R434 IonicContact OE2-CZ 2.94Å; E432-R434 IonicContact OE2-NH1 3.1Å; E432-R434 IonicContact OE2-NH2 2.73Å; E432-R434 PolarHBondContact OE2-NH2 3.37Å; E432-T460 WeakPolarHBondContact OE2-CB 3.45Å; E432-T460 PolarHBondContact OE2-OG1 2.94Å; E432-E462 PolarHBondContact N-OE1 3.4Å; E432-Y473 WeakPolarHBondContact CG-OH 3.39Å
433	K	98.1	Very high	97.7	Very high	107 Å²	107	41.7 Å²	41.7	47%	0.465	21%	0.208	S	C	.	.			trans	-62.7	136	171	-64.5	171.2	176.7	-175	0	109.4	A410 D412 N453	A410-K433 HydrophobicContact CB-CB 4Å; A410-K433 WeakPolarHBondContact O-CD 3.38Å; D412-K433 HydrophobicContact CB-CG 3.82Å; D412-K433 VanDerWaalsContact OD2-CE 3.32Å; D412-K433 WeakPolarHBondContact OD2-CE 3.41Å; K433-N453 HydrophobicContact CB-CB 4.47Å; K433-N453 WeakPolarHBondContact O-CB 3.4Å; K433-N453 PolarHBondContact O-ND2 3.11Å
434	R	97.8	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.			trans	-142.1	138.5	-176.3	-64.5	174.2	-168.1	-78	-9.9	112	G399 V411 L430 E432 F437 G450 L458 T460 E462	G399-R434 PolarHBondContact N-O 2.82Å; V411-R434 PolarHBondContact O-N 2.96Å; L430-R434 HydrophobicContact CD1-CB 4.25Å; L430-R434 HydrophobicContact CD1-CG 4.36Å; E432-R434 WeakPolarHBondContact O-CG 3.3Å; E432-R434 IonicContact OE2-CZ 2.94Å; E432-R434 IonicContact OE2-NH1 3.1Å; E432-R434 IonicContact OE2-NH2 2.73Å; E432-R434 PolarHBondContact OE2-NH2 3.37Å; R434-F437 HydrophobicContact CB-CB 4.33Å; R434-F437 HydrophobicContact CB-CD1 3.6Å; R434-F437 HydrophobicContact CB-CE1 4.02Å; R434-F437 HydrophobicContact CB-CG 3.96Å; R434-G450 PolarHBondContact NH1-O 2.93Å; R434-L458 HydrophobicContact CG-CD1 3.74Å; R434-T460 PolarHBondContact NH1-O 3.38Å; R434-T460 VanDerWaalsContact NH1-O 3.11Å; R434-T460 PolarHBondContact NH1-OG1 2.86Å; R434-T460 PolarHBondContact NH2-OG1 3.16Å; R434-E462 IonicContact CZ-OE1 2.96Å; R434-E462 VanDerWaalsContact CZ-OE1 3.24Å; R434-E462 IonicContact NE-OE1 2.8Å; R434-E462 PolarHBondContact NE-OE1 2.8Å; R434-E462 IonicContact NH2-OE1 3.25Å; R434-E462 PolarHBondContact NH2-OE1 3.07Å
435	T	97.5	Very high	97.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-133.3	164.4	162.5	-175.6	0	0	0	0	109.4	Q384 Q400 A410 F437 G451 R452	Q384-T435 WeakPolarHBondContact CB-OG1 3.39Å; Q384-T435 PolarHBondContact O-OG1 3Å; Q400-T435 HydrophobicContact CG-CG2 4.07Å; Q400-T435 PolarHBondContact NE2-OG1 2.83Å; A410-T435 HydrophobicContact CB-CG2 4.19Å; T435-F437 PolarHBondContact O-N 3.33Å; T435-F437 VanDerWaalsContact O-N 3.15Å; T435-G451 CarbonylContact O-C 3.5Å; T435-G451 VanDerWaalsContact O-CA 3.27Å; T435-G451 WeakPolarHBondContact O-CA 3.27Å; T435-R452 HydrophobicContact CG2-CG 3.93Å; T435-R452 VanDerWaalsContact CG2-O 3.29Å; T435-R452 WeakPolarHBondContact CG2-O 3.39Å; T435-R452 PolarHBondContact N-O 3.01Å; T435-R452 PolarHBondContact O-N 2.74Å
436	F	96.7	Very high	98	Very high	15 Å²	15	35.3 Å²	35.3	7%	0.066	19%	0.186	C	C	.	.	S	Bend	trans	53.5	32.6	-178.3	-62	-83.5	0	0	0	113.9	Q384 R452 Y482 G483 L530	Q384-F436 HydrophobicContact CG-CD1 4.16Å; Q384-F436 HydrophobicContact CG-CE1 3.96Å; Q384-F436 HydrophobicContact CG-CZ 4.31Å; Q384-F436 PolarHBondContact O-N 3.47Å; F436-R452 HydrophobicContact CB-CG 4.45Å; F436-R452 HydrophobicContact CD2-CG 3.92Å; F436-Y482 HydrophobicContact CB-CD2 4.1Å; F436-Y482 HydrophobicContact CG-CD2 4.31Å; F436-Y482 WeakPolarHBondContact O-CA 3.45Å; F436-G483 PolarHBondContact O-N 3.14Å; F436-L530 HydrophobicContact CD1-CD2 3.59Å; F436-L530 HydrophobicContact CE1-CD2 3.73Å
437	F	97.9	Very high	98	Very high	9 Å²	9	31.1 Å²	31.1	4%	0.039	17%	0.166	C	C	.	.			trans	-105.2	163.8	-179.6	72.1	-81	0	0	0	109.8	V397 R434 T435 L439 A448 V449 G450	V397-F437 HydrophobicContact CB-CE2 4.45Å; V397-F437 HydrophobicContact CB-CZ 3.94Å; V397-F437 HydrophobicContact CG1-CE2 4.07Å; V397-F437 HydrophobicContact CG1-CZ 3.7Å; V397-F437 WeakPolarHBondContact O-CE1 3.34Å; V397-F437 WeakPolarHBondContact O-CZ 3.41Å; R434-F437 HydrophobicContact CB-CB 4.33Å; R434-F437 HydrophobicContact CB-CD1 3.6Å; R434-F437 HydrophobicContact CB-CE1 4.02Å; R434-F437 HydrophobicContact CB-CG 3.96Å; T435-F437 PolarHBondContact O-N 3.33Å; T435-F437 VanDerWaalsContact O-N 3.15Å; F437-L439 HydrophobicContact CE2-CB 3.93Å; F437-L439 HydrophobicContact CE2-CD1 4.14Å; F437-A448 HydrophobicContact CD2-CB 3.91Å; F437-A448 HydrophobicContact CE2-CB 3.76Å; F437-V449 WeakPolarHBondContact CB-O 3.23Å; F437-G450 WeakPolarHBondContact CB-O 3.39Å
438	H	97.9	Very high	98.1	Very high	23 Å²	23	30.8 Å²	30.8	11%	0.106	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.3	170.9	178.1	66.2	0	0	0	111.3	S440 A448 V449 H484 G486 I495	H438-S440 PolarHBondContact CE1-OG 2.94Å; H438-S440 VanDerWaalsContact CE1-OG 3.26Å; H438-S440 WeakPolarHBondContact NE2-CB 3.4Å; H438-S440 PolarHBondContact NE2-OG 3.04Å; H438-A448 WeakPolarHBondContact O-CA 3.17Å; H438-V449 HydrophobicContact CB-CB 4.39Å; H438-V449 PolarHBondContact N-O 3.27Å; H438-V449 PolarHBondContact O-N 2.99Å; H438-H484 WeakPolarHBondContact CB-NE2 3.33Å; H438-H484 PolarHBondContact N-NE2 3.19Å; H438-G486 WeakPolarHBondContact CE1-CA 3.42Å; H438-G486 PolarHBondContact CE1-O 2.84Å; H438-G486 PolarHBondContact ND1-N 2.82Å; H438-I495 HydrophobicContact CB-CD1 3.96Å; H438-I495 WeakPolarHBondContact CD2-CD1 3.15Å
439	L	98.6	Very high	98.1	Very high	10 Å²	10	29.6 Å²	29.6	5%	0.052	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.6	171.3	-172	76.4	0	0	0	109.5	A388 V397 F437 L446 Y447 A448 W471	A388-L439 HydrophobicContact CB-CD2 3.74Å; A388-L439 HydrophobicContact CB-CG 3.97Å; V397-L439 HydrophobicContact CB-CD1 4.22Å; V397-L439 HydrophobicContact CB-CD2 3.83Å; V397-L439 HydrophobicContact CG1-CD1 4.34Å; V397-L439 HydrophobicContact CG2-CD1 3.94Å; V397-L439 HydrophobicContact CG2-CD2 3.45Å; V397-L439 VanDerWaalsContact CG2-CD2 3.45Å; V397-L439 HydrophobicContact CG2-CG 4.39Å; F437-L439 HydrophobicContact CE2-CB 3.93Å; F437-L439 HydrophobicContact CE2-CD1 4.14Å; L439-L446 HydrophobicContact CD1-CB 4.2Å; L439-Y447 WeakPolarHBondContact CA-O 3.35Å; L439-A448 HydrophobicContact CD1-CB 4.07Å; L439-W471 HydrophobicContact CD1-CH2 4.19Å
440	S	97.8	Very high	98.1	Very high	13 Å²	13	27.4 Å²	27.4	9%	0.091	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146	172.2	-92.3	0	0	0	0	112.1	H438 L446 Y447	H438-S440 PolarHBondContact CE1-OG 2.94Å; H438-S440 VanDerWaalsContact CE1-OG 3.26Å; H438-S440 WeakPolarHBondContact NE2-CB 3.4Å; H438-S440 PolarHBondContact NE2-OG 3.04Å; S440-L446 CarbonylContact O-C 3.52Å; S440-L446 WeakPolarHBondContact O-CA 3.46Å; S440-Y447 PolarHBondContact N-O 3.27Å; S440-Y447 VanDerWaalsContact N-O 3.14Å; S440-Y447 PolarHBondContact O-N 2.83Å
441	A	98.4	Very high	98	Very high	33 Å²	33	27 Å²	27	27%	0.273	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.8	163.7	0	0	0	0	0	109.4	A388 V389 I390 Y445 L446	A388-A441 HydrophobicContact CB-CB 4.23Å; V389-A441 WeakPolarHBondContact O-CB 3.41Å; I390-A441 HydrophobicContact CD1-CB 4.41Å; I390-A441 HydrophobicContact CG1-CB 3.68Å; A441-Y445 CarbonylContact C-O 3.5Å; A441-Y445 VanDerWaalsContact CA-O 3.31Å; A441-Y445 WeakPolarHBondContact CA-O 2.93Å; A441-L446 HydrophobicContact CB-CD2 4.1Å
442	L	98.4	Very high	97.9	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	123.9	-179.1	174.4	62.4	0	0	0	109.9	G444 Y445 Y447 V488 M493 P513	L442-G444 PolarHBondContact O-N 3.25Å; L442-G444 VanDerWaalsContact O-N 3.08Å; L442-Y445 PolarHBondContact N-O 2.82Å; L442-Y445 PolarHBondContact O-N 2.81Å; L442-Y447 HydrophobicContact CB-CD2 3.78Å; L442-Y447 HydrophobicContact CB-CE2 3.75Å; L442-Y447 HydrophobicContact CD2-CD2 4.33Å; L442-Y447 HydrophobicContact CD2-CE2 4.1Å; L442-Y447 HydrophobicContact CG-CE2 4.14Å; L442-V488 HydrophobicContact CB-CG2 4.14Å; L442-V488 HydrophobicContact CD1-CG1 3.55Å; L442-V488 HydrophobicContact CD1-CG2 4.27Å; L442-M493 HydrophobicContact CD2-CB 4.08Å; L442-P513 HydrophobicContact CD2-CB 4.22Å; L442-P513 HydrophobicContact CD2-CG 3.64Å; L442-P513 HydrophobicContact CG-CG 4.18Å
443	K	97	Very high	97.9	Very high	97 Å²	97	23.1 Å²	23.1	42%	0.422	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	31.9	179.6	-65.8	176.5	172.2	165.8	0	114.2	Y445 G491 P513 D514	K443-Y445 VanDerWaalsContact O-CD2 3.24Å; K443-Y445 WeakPolarHBondContact O-CD2 3.4Å; K443-Y445 WeakPolarHBondContact O-CE2 3.29Å; K443-G491 WeakPolarHBondContact CE-O 3.37Å; K443-G491 PolarHBondContact NZ-O 3.5Å; K443-P513 HydrophobicContact CD-CG 3.95Å; K443-D514 IonicContact NZ-OD1 2.74Å; K443-D514 PolarHBondContact NZ-OD1 2.89Å; K443-D514 IonicContact NZ-OD2 2.82Å; K443-D514 PolarHBondContact NZ-OD2 2.8Å
444	G	97.2	Very high	97.8	Very high	26 Å²	26	21.8 Å²	21.8	27%	0.268	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	7.6	-179.7	0	0	0	0	0	115.3	V330 L442 P466	V330-G444 WeakPolarHBondContact CG1-O 3.3Å; L442-G444 PolarHBondContact O-N 3.25Å; L442-G444 VanDerWaalsContact O-N 3.08Å; G444-P466 WeakPolarHBondContact O-CD 3.47Å; G444-P466 WeakPolarHBondContact O-CG 3.29Å
445	Y	98.7	Very high	97.6	Very high	75 Å²	75	26.6 Å²	26.6	29%	0.294	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	163.6	174.6	-61.1	-98.6	0	0	0	110.1	A441 L442 K443 Y464 N465	A441-Y445 CarbonylContact C-O 3.5Å; A441-Y445 VanDerWaalsContact CA-O 3.31Å; A441-Y445 WeakPolarHBondContact CA-O 2.93Å; L442-Y445 PolarHBondContact N-O 2.82Å; L442-Y445 PolarHBondContact O-N 2.81Å; K443-Y445 VanDerWaalsContact O-CD2 3.24Å; K443-Y445 WeakPolarHBondContact O-CD2 3.4Å; K443-Y445 WeakPolarHBondContact O-CE2 3.29Å; Y445-Y464 WeakPolarHBondContact CA-O 3.44Å; Y445-Y464 WeakPolarHBondContact CB-O 3.48Å; Y445-Y464 WeakPolarHBondContact CD1-O 3.32Å; Y445-N465 HydrophobicContact CD1-CB 3.95Å; Y445-N465 HydrophobicContact CE1-CB 3.77Å
446	L	98.9	Very high	97.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138.5	168.4	-54.5	171.4	0	0	0	110	A388 I390 Y395 L439 S440 A441 C463 Y464 W471	A388-L446 HydrophobicContact CB-CD2 3.56Å; I390-L446 HydrophobicContact CD1-CD2 3.41Å; I390-L446 VanDerWaalsContact CD1-CD2 3.41Å; I390-L446 HydrophobicContact CD1-CG 3.66Å; I390-L446 HydrophobicContact CG1-CD2 3.82Å; Y395-L446 HydrophobicContact CD1-CD1 3.5Å; Y395-L446 HydrophobicContact CD2-CD1 4.11Å; Y395-L446 HydrophobicContact CE1-CD1 3.97Å; Y395-L446 HydrophobicContact CG-CD1 3.55Å; L439-L446 HydrophobicContact CD1-CB 4.2Å; S440-L446 CarbonylContact O-C 3.52Å; S440-L446 WeakPolarHBondContact O-CA 3.46Å; A441-L446 HydrophobicContact CB-CD2 4.1Å; L446-C463 CarbonylContact O-C 3.24Å; L446-C463 VanDerWaalsContact O-CA 3.25Å; L446-C463 WeakPolarHBondContact O-CA 3.2Å; L446-Y464 HydrophobicContact CD1-CD1 3.83Å; L446-Y464 HydrophobicContact CD1-CG 4.39Å; L446-Y464 HydrophobicContact CG-CD1 4.15Å; L446-Y464 PolarHBondContact N-O 2.89Å; L446-Y464 PolarHBondContact O-N 3.07Å; L446-W471 HydrophobicContact CB-CH2 4.04Å
447	Y	98.8	Very high	97.4	Very high	16 Å²	16	29.2 Å²	29.2	6%	0.063	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.1	175.5	-67.8	-96.8	0	0	0	109.8	L439 S440 L442 E462 C463 V474 M493 F511 P513	L439-Y447 WeakPolarHBondContact CA-O 3.35Å; S440-Y447 PolarHBondContact N-O 3.27Å; S440-Y447 VanDerWaalsContact N-O 3.14Å; S440-Y447 PolarHBondContact O-N 2.83Å; L442-Y447 HydrophobicContact CB-CD2 3.78Å; L442-Y447 HydrophobicContact CB-CE2 3.75Å; L442-Y447 HydrophobicContact CD2-CD2 4.33Å; L442-Y447 HydrophobicContact CD2-CE2 4.1Å; L442-Y447 HydrophobicContact CG-CE2 4.14Å; Y447-E462 CarbonylContact C-O 3.24Å; Y447-E462 VanDerWaalsContact CA-O 3.29Å; Y447-E462 WeakPolarHBondContact CA-O 3.42Å; Y447-C463 HydrophobicContact CD1-CB 4.02Å; Y447-C463 HydrophobicContact CE1-CB 3.74Å; Y447-C463 VanDerWaalsContact CZ-SG 3.59Å; Y447-V474 HydrophobicContact CD1-CG2 4.3Å; Y447-V474 HydrophobicContact CE1-CG2 4.37Å; Y447-M493 HydrophobicContact CG-CE 4.43Å; Y447-F511 AromaticContact CD1-CE1 3.89Å; Y447-F511 HydrophobicContact CD1-CE1 3.89Å; Y447-F511 AromaticContact CE1-CE1 3.63Å; Y447-F511 HydrophobicContact CE1-CE1 3.63Å; Y447-F511 HydrophobicContact CE1-CZ 4.29Å; Y447-P513 HydrophobicContact CE1-CB 4.47Å; Y447-P513 WeakPolarHBondContact OH-CB 3.3Å
448	A	98.8	Very high	97.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.7	173.9	0	0	0	0	0	109	L430 F437 H438 L439 V461 E462 W471	L430-A448 HydrophobicContact CD2-CB 3.94Å; F437-A448 HydrophobicContact CD2-CB 3.91Å; F437-A448 HydrophobicContact CE2-CB 3.76Å; H438-A448 WeakPolarHBondContact O-CA 3.17Å; L439-A448 HydrophobicContact CD1-CB 4.07Å; A448-V461 WeakPolarHBondContact O-CA 3.28Å; A448-E462 PolarHBondContact N-O 2.76Å; A448-E462 PolarHBondContact O-N 3.05Å; A448-W471 HydrophobicContact CB-CH2 4.17Å; A448-W471 HydrophobicContact CB-CZ3 3.88Å
449	V	98.7	Very high	97.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.8	-170.7	-177.8	0	0	0	0	110.7	F437 H438 V461 M477 H484 M493 I495 W518	F437-V449 WeakPolarHBondContact CB-O 3.23Å; H438-V449 HydrophobicContact CB-CB 4.39Å; H438-V449 PolarHBondContact N-O 3.27Å; H438-V449 PolarHBondContact O-N 2.99Å; V449-V461 HydrophobicContact CG1-CG2 4.12Å; V449-V461 HydrophobicContact CG2-CG1 3.94Å; V449-V461 HydrophobicContact CG2-CG2 4.5Å; V449-M477 HydrophobicContact CG1-CE 4.02Å; V449-M477 HydrophobicContact CG1-CG 4.28Å; V449-M477 HydrophobicContact CG1-SD 3.6Å; V449-M477 VanDerWaalsContact CG1-SD 3.6Å; V449-H484 PolarHBondContact O-CE1 2.81Å; V449-H484 PolarHBondContact O-NE2 3.38Å; V449-M493 HydrophobicContact CG2-CE 3.35Å; V449-M493 HydrophobicContact CG2-SD 3.81Å; V449-I495 HydrophobicContact CB-CD1 4.4Å; V449-I495 HydrophobicContact CG1-CD1 4.31Å; V449-I495 HydrophobicContact CG1-CG1 4.19Å; V449-I495 HydrophobicContact CG2-CD1 4.3Å; V449-W518 HydrophobicContact CG1-CH2 4Å; V449-W518 HydrophobicContact CG1-CZ2 4.2Å; V449-W518 HydrophobicContact CG2-CH2 4.41Å
450	G	98.1	Very high	97.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	20%	0.196	C	C	.	.			trans	61.1	-133.5	171.1	0	0	0	0	0	114.3	R434 F437 L458 T460	R434-G450 PolarHBondContact NH1-O 2.93Å; F437-G450 WeakPolarHBondContact CB-O 3.39Å; G450-L458 WeakPolarHBondContact CA-O 3.38Å; G450-T460 PolarHBondContact N-O 2.89Å
451	G	97.4	Very high	97.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.191	C	C	.	.			trans	94.1	-156.9	-175.3	0	0	0	0	0	112.9	T435 L458 H481	T435-G451 CarbonylContact O-C 3.5Å; T435-G451 VanDerWaalsContact O-CA 3.27Å; T435-G451 WeakPolarHBondContact O-CA 3.27Å; G451-L458 PolarHBondContact O-N 3.35Å; G451-H481 PolarHBondContact N-O 3.24Å
452	R	96.3	Very high	97.4	Very high	36 Å²	36	28.7 Å²	28.7	14%	0.136	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.6	176.6	63	-174.2	-68.4	154.8	3	111.8	K406 T435 F436 G456 Y482	K406-R452 VanDerWaalsContact C-NE 3.33Å; K406-R452 VanDerWaalsContact O-CZ 3.28Å; K406-R452 PolarHBondContact O-NE 3.06Å; K406-R452 PolarHBondContact O-NH2 3.4Å; T435-R452 HydrophobicContact CG2-CG 3.93Å; T435-R452 VanDerWaalsContact CG2-O 3.29Å; T435-R452 WeakPolarHBondContact CG2-O 3.39Å; T435-R452 PolarHBondContact N-O 3.01Å; T435-R452 PolarHBondContact O-N 2.74Å; F436-R452 HydrophobicContact CB-CG 4.45Å; F436-R452 HydrophobicContact CD2-CG 3.92Å; R452-G456 CarbonylContact C-O 3.6Å; R452-G456 WeakPolarHBondContact CA-O 3.32Å; R452-G456 WeakPolarHBondContact CB-O 3.45Å; R452-Y482 HydrophobicContact CB-CG 4.47Å; R452-Y482 HydrophobicContact CG-CD2 4.49Å; R452-Y482 HydrophobicContact CG-CG 4.3Å; R452-Y482 PolarHBondContact NH1-OH 3.5Å
453	N	96.8	Very high	97.5	Very high	22 Å²	22	28.9 Å²	28.9	12%	0.118	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	-164.6	172.5	65.7	25.6	0	0	0	111	G407 A410 K433 A455 G456 L458	G407-N453 CarbonylContact O-C 3.19Å; G407-N453 VanDerWaalsContact O-CA 3.26Å; G407-N453 WeakPolarHBondContact O-CA 3.49Å; A410-N453 HydrophobicContact CB-CB 3.96Å; K433-N453 HydrophobicContact CB-CB 4.47Å; K433-N453 WeakPolarHBondContact O-CB 3.4Å; K433-N453 PolarHBondContact O-ND2 3.11Å; N453-A455 PolarHBondContact O-N 3.4Å; N453-A455 WeakPolarHBondContact OD1-CA 3.46Å; N453-A455 WeakPolarHBondContact OD1-CB 3.48Å; N453-A455 PolarHBondContact OD1-N 2.8Å; N453-G456 PolarHBondContact N-O 3.29Å; N453-G456 PolarHBondContact O-N 2.94Å; N453-G456 VanDerWaalsContact O-N 3.15Å; N453-G456 PolarHBondContact OD1-N 3.31Å; N453-L458 HydrophobicContact CB-CD1 4.48Å
454	A	95.5	Very high	97.5	Very high	79 Å²	79	24.3 Å²	24.3	65%	0.653	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.2	-179.7	0	0	0	0	0	114.1	G407	G407-A454 PolarHBondContact O-N 3.28Å
455	A	94.5	Very high	97.6	Very high	100 Å²	100	24.6 Å²	24.6	83%	0.826	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-19.4	178.2	0	0	0	0	0	113.2	N453	N453-A455 PolarHBondContact O-N 3.4Å; N453-A455 WeakPolarHBondContact OD1-CA 3.46Å; N453-A455 WeakPolarHBondContact OD1-CB 3.48Å; N453-A455 PolarHBondContact OD1-N 2.8Å
456	G	94.6	Very high	97.6	Very high	26 Å²	26	21.1 Å²	21.1	27%	0.268	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	135.4	-156.8	179.3	0	0	0	0	0	113.3	R452 N453	R452-G456 CarbonylContact C-O 3.6Å; R452-G456 WeakPolarHBondContact CA-O 3.32Å; R452-G456 WeakPolarHBondContact CB-O 3.45Å; N453-G456 PolarHBondContact N-O 3.29Å; N453-G456 PolarHBondContact O-N 2.94Å; N453-G456 VanDerWaalsContact O-N 3.15Å; N453-G456 PolarHBondContact OD1-N 3.31Å
457	E	95.9	Very high	97.5	Very high	45 Å²	45	27.7 Å²	27.7	21%	0.21	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	144.5	177.9	-51.8	172.8	167.7	0	0	110.3	P480 Y482 H501	E457-P480 HydrophobicContact CB-CB 3.63Å; E457-P480 HydrophobicContact CB-CG 4.05Å; E457-Y482 HydrophobicContact CG-CD1 3.87Å; E457-Y482 HydrophobicContact CG-CE1 4.14Å; E457-Y482 WeakPolarHBondContact OE1-CE1 3.28Å; E457-H501 PolarHBondContact OE1-N 3.43Å; E457-H501 IonicContact OE2-CE1 3.7Å; E457-H501 PolarHBondContact OE2-N 3.4Å; E457-H501 VanDerWaalsContact OE2-N 3.09Å; E457-H501 IonicContact OE2-ND1 2.69Å; E457-H501 PolarHBondContact OE2-ND1 3.48Å
458	L	97.3	Very high	97.4	Very high	15 Å²	15	30.4 Å²	30.4	8%	0.079	19%	0.185	C	C	.	.			trans	-115.6	130.6	-172.3	-60.1	170.1	0	0	0	111.1	R434 G450 G451 N453 H481	R434-L458 HydrophobicContact CG-CD1 3.74Å; G450-L458 WeakPolarHBondContact CA-O 3.38Å; G451-L458 PolarHBondContact O-N 3.35Å; N453-L458 HydrophobicContact CB-CD1 4.48Å; L458-H481 PolarHBondContact O-N 3.38Å
459	P	97.4	Very high	97.4	Very high	35 Å²	35	32 Å²	32	23%	0.227	19%	0.194	C	C	.	.			trans	-93	-12.2	169.2	35.5	-32.7	0	0	0	112.6	K476 M477 P480	P459-K476 WeakPolarHBondContact O-CA 3.26Å; P459-K476 WeakPolarHBondContact O-CB 3.3Å; P459-M477 PolarHBondContact O-N 3.14Å; P459-P480 HydrophobicContact CB-CB 4.3Å
460	T	98.5	Very high	97.4	Very high	26 Å²	26	37.3 Å²	37.3	16%	0.16	22%	0.219	C	C	.	.			trans	-67.7	147.6	-172.3	42.1	0	0	0	0	112.1	E432 R434 G450 Y473	E432-T460 WeakPolarHBondContact OE2-CB 3.45Å; E432-T460 PolarHBondContact OE2-OG1 2.94Å; R434-T460 PolarHBondContact NH1-O 3.38Å; R434-T460 VanDerWaalsContact NH1-O 3.11Å; R434-T460 PolarHBondContact NH1-OG1 2.86Å; R434-T460 PolarHBondContact NH2-OG1 3.16Å; G450-T460 PolarHBondContact N-O 2.89Å; T460-Y473 HydrophobicContact CG2-CE1 4.32Å
461	V	98.7	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.9	177.4	-174.3	0	0	0	0	108.2	A448 V449 Y473 V474 A475 W518	A448-V461 WeakPolarHBondContact O-CA 3.28Å; V449-V461 HydrophobicContact CG1-CG2 4.12Å; V449-V461 HydrophobicContact CG2-CG1 3.94Å; V449-V461 HydrophobicContact CG2-CG2 4.5Å; V461-Y473 WeakPolarHBondContact O-CA 3.23Å; V461-V474 HydrophobicContact CB-CG2 3.72Å; V461-V474 HydrophobicContact CG1-CG2 3.45Å; V461-V474 VanDerWaalsContact CG1-CG2 3.45Å; V461-V474 PolarHBondContact O-N 2.81Å; V461-A475 WeakPolarHBondContact CG2-O 3.45Å; V461-W518 HydrophobicContact CG2-CZ2 3.92Å
462	E	98.7	Very high	97.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.8	179.9	-60.8	-178	-120.2	0	0	110.7	L430 N431 E432 R434 Y447 A448 W471 T472 Y473	L430-E462 HydrophobicContact CD2-CB 4.46Å; N431-E462 VanDerWaalsContact CB-OE2 3.24Å; N431-E462 WeakPolarHBondContact CB-OE2 3.18Å; N431-E462 PolarHBondContact N-OE2 2.66Å; N431-E462 PolarHBondContact ND2-OE2 3.08Å; E432-E462 PolarHBondContact N-OE1 3.4Å; R434-E462 IonicContact CZ-OE1 2.96Å; R434-E462 VanDerWaalsContact CZ-OE1 3.24Å; R434-E462 IonicContact NE-OE1 2.8Å; R434-E462 PolarHBondContact NE-OE1 2.8Å; R434-E462 IonicContact NH2-OE1 3.25Å; R434-E462 PolarHBondContact NH2-OE1 3.07Å; Y447-E462 CarbonylContact C-O 3.24Å; Y447-E462 VanDerWaalsContact CA-O 3.29Å; Y447-E462 WeakPolarHBondContact CA-O 3.42Å; A448-E462 PolarHBondContact N-O 2.76Å; A448-E462 PolarHBondContact O-N 3.05Å; E462-W471 HydrophobicContact CB-CE3 3.63Å; E462-W471 HydrophobicContact CB-CZ3 4.13Å; E462-T472 CarbonylContact C-O 3.58Å; E462-T472 VanDerWaalsContact CA-O 3.32Å; E462-T472 WeakPolarHBondContact CA-O 3.23Å; E462-Y473 HydrophobicContact CG-CD1 3.79Å; E462-Y473 HydrophobicContact CG-CE1 3.75Å
463	C	98.8	Very high	97.6	Very high	9 Å²	9	45.2 Å²	45.2	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.6	178.3	179.5	0	0	0	0	110.3	L446 Y447 W471 T472 V474	L446-C463 CarbonylContact O-C 3.24Å; L446-C463 VanDerWaalsContact O-CA 3.25Å; L446-C463 WeakPolarHBondContact O-CA 3.2Å; Y447-C463 HydrophobicContact CD1-CB 4.02Å; Y447-C463 HydrophobicContact CE1-CB 3.74Å; Y447-C463 VanDerWaalsContact CZ-SG 3.59Å; C463-W471 CarbonylContact O-C 3.56Å; C463-W471 WeakPolarHBondContact O-CA 3.4Å; C463-T472 PolarHBondContact N-O 3.14Å; C463-T472 PolarHBondContact O-N 2.85Å; C463-T472 PolarHBondContact O-OG1 3.27Å; C463-V474 HydrophobicContact CB-CG1 3.65Å
464	Y	98.9	Very high	97.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.2	173.3	179.4	-111.2	0	0	0	110.9	Y395 V427 A428 Y445 L446 P466 N469 E470 W471	Y395-Y464 HydrophobicContact CE1-CD1 4.45Å; Y395-Y464 AromaticContact CE1-CE1 3.88Å; Y395-Y464 HydrophobicContact CE1-CE1 3.88Å; V427-Y464 HydrophobicContact CG2-CE2 4.48Å; A428-Y464 HydrophobicContact CB-CE2 4.35Å; Y445-Y464 WeakPolarHBondContact CA-O 3.44Å; Y445-Y464 WeakPolarHBondContact CB-O 3.48Å; Y445-Y464 WeakPolarHBondContact CD1-O 3.32Å; L446-Y464 HydrophobicContact CD1-CD1 3.83Å; L446-Y464 HydrophobicContact CD1-CG 4.39Å; L446-Y464 HydrophobicContact CG-CD1 4.15Å; L446-Y464 PolarHBondContact N-O 2.89Å; L446-Y464 PolarHBondContact O-N 3.07Å; Y464-P466 HydrophobicContact CD1-CG 4Å; Y464-P466 HydrophobicContact CE1-CB 4.07Å; Y464-P466 HydrophobicContact CE1-CG 3.79Å; Y464-P466 WeakPolarHBondContact O-CD 3.37Å; Y464-N469 PolarHBondContact OH-OD1 3.28Å; Y464-E470 WeakPolarHBondContact CA-O 3.35Å; Y464-W471 AromaticContact CD2-CD1 3.76Å; Y464-W471 HydrophobicContact CD2-CD2 4.11Å; Y464-W471 AromaticContact CD2-CE2 3.75Å; Y464-W471 HydrophobicContact CD2-CG 4.14Å; Y464-W471 HydrophobicContact CD2-CZ2 4.32Å; Y464-W471 AromaticContact CD2-NE1 3.49Å; Y464-W471 HydrophobicContact CG-CD2 4.3Å; Y464-W471 AromaticContact CG-CE2 3.94Å; Y464-W471 HydrophobicContact CG-CZ2 4.1Å; Y464-W471 VanDerWaalsContact N-CE3 3.33Å
465	N	98.3	Very high	97.8	Very high	33 Å²	33	43.1 Å²	43.1	18%	0.176	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	109.7	172.3	-175.4	-7.7	0	0	0	110.8	Y445 R467 T468 N469 E470	Y445-N465 HydrophobicContact CD1-CB 3.95Å; Y445-N465 HydrophobicContact CE1-CB 3.77Å; N465-R467 PolarHBondContact O-N 2.96Å; N465-R467 WeakPolarHBondContact OD1-CA 3.25Å; N465-R467 WeakPolarHBondContact OD1-CB 3.35Å; N465-R467 WeakPolarHBondContact OD1-CG 3.45Å; N465-R467 PolarHBondContact OD1-N 2.85Å; N465-T468 PolarHBondContact O-N 2.89Å; N465-N469 WeakPolarHBondContact O-CA 3.32Å; N465-N469 PolarHBondContact O-N 2.77Å; N465-E470 PolarHBondContact N-O 3.42Å
466	P	98	Very high	98	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.7	175.9	-23.4	33.4	0	0	0	114.5	Y326 V330 I390 G444 Y464	Y326-P466 CarbonylContact C-O 3.52Å; Y326-P466 VanDerWaalsContact C-O 3.24Å; Y326-P466 WeakPolarHBondContact CB-O 3.32Å; Y326-P466 WeakPolarHBondContact O-CB 3.43Å; V330-P466 HydrophobicContact CG1-CB 4.27Å; V330-P466 HydrophobicContact CG1-CG 4.08Å; V330-P466 HydrophobicContact CG2-CB 4.41Å; I390-P466 HydrophobicContact CD1-CG 4.27Å; G444-P466 WeakPolarHBondContact O-CD 3.47Å; G444-P466 WeakPolarHBondContact O-CG 3.29Å; Y464-P466 HydrophobicContact CD1-CG 4Å; Y464-P466 HydrophobicContact CE1-CB 4.07Å; Y464-P466 HydrophobicContact CE1-CG 3.79Å; Y464-P466 WeakPolarHBondContact O-CD 3.37Å
467	R	96.6	Very high	98.1	Very high	138 Å²	138	44.3 Å²	44.3	52%	0.521	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-38.7	178.7	-55.1	-175.9	-179.1	-85.4	-4	113.5	M327 V330 N465	M327-R467 HydrophobicContact CE-CB 4.48Å; M327-R467 HydrophobicContact CE-CG 4.1Å; M327-R467 VanDerWaalsContact CE-NH1 3.35Å; M327-R467 HydrophobicContact CG-CB 4.39Å; M327-R467 HydrophobicContact CG-CG 4.47Å; M327-R467 HydrophobicContact SD-CB 4.31Å; V330-R467 HydrophobicContact CG2-CG 4.34Å; N465-R467 PolarHBondContact O-N 2.96Å; N465-R467 WeakPolarHBondContact OD1-CA 3.25Å; N465-R467 WeakPolarHBondContact OD1-CB 3.35Å; N465-R467 WeakPolarHBondContact OD1-CG 3.45Å; N465-R467 PolarHBondContact OD1-N 2.85Å
468	T	97.4	Very high	97.9	Very high	74 Å²	74	46.8 Å²	46.8	45%	0.454	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-12.7	179.3	59.8	0	0	0	0	112.2	N465 E470	N465-T468 PolarHBondContact O-N 2.89Å; T468-E470 VanDerWaalsContact C-N 3.34Å; T468-E470 WeakPolarHBondContact CB-OE2 3.26Å; T468-E470 PolarHBondContact OG1-OE2 3.4Å
469	N	98.3	Very high	97.8	Very high	32 Å²	32	50.5 Å²	50.5	17%	0.171	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	50.6	-171.3	-179.3	46.2	0	0	0	110.6	Y326 V427 A428 Y464 N465	Y326-N469 HydrophobicContact CD1-CB 4.23Å; Y326-N469 HydrophobicContact CD2-CB 3.9Å; Y326-N469 HydrophobicContact CE2-CB 4.39Å; Y326-N469 HydrophobicContact CG-CB 3.82Å; V427-N469 WeakPolarHBondContact CB-OD1 3.25Å; A428-N469 WeakPolarHBondContact CB-O 3.44Å; A428-N469 PolarHBondContact N-OD1 2.84Å; Y464-N469 PolarHBondContact OH-OD1 3.28Å; N465-N469 WeakPolarHBondContact O-CA 3.32Å; N465-N469 PolarHBondContact O-N 2.77Å
470	E	98.5	Very high	97.6	Very high	112 Å²	112	49.8 Å²	49.8	52%	0.523	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	150.3	-177.1	-68.1	171.1	156.7	0	0	110.9	Y464 N465 T468	Y464-E470 WeakPolarHBondContact CA-O 3.35Å; N465-E470 PolarHBondContact N-O 3.42Å; T468-E470 VanDerWaalsContact C-N 3.34Å; T468-E470 WeakPolarHBondContact CB-OE2 3.26Å; T468-E470 PolarHBondContact OG1-OE2 3.4Å
471	W	98.8	Very high	97.3	Very high	14 Å²	14	49.5 Å²	49.5	5%	0.053	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	134.2	171.5	-71.6	91.2	0	0	0	110.2	V397 V414 A428 L430 N431 L439 L446 A448 E462 C463 Y464	V397-W471 HydrophobicContact CG1-CH2 4.13Å; V397-W471 HydrophobicContact CG1-CZ2 4.05Å; V397-W471 HydrophobicContact CG2-CH2 4.33Å; V397-W471 HydrophobicContact CG2-CZ2 4.14Å; V414-W471 HydrophobicContact CG2-CZ2 4Å; A428-W471 PolarHBondContact O-NE1 3.03Å; L430-W471 HydrophobicContact CD2-CD2 3.76Å; L430-W471 HydrophobicContact CD2-CE3 3.75Å; L430-W471 HydrophobicContact CD2-CG 4.49Å; L430-W471 HydrophobicContact CD2-CH2 3.75Å; L430-W471 HydrophobicContact CD2-CZ2 3.76Å; L430-W471 HydrophobicContact CD2-CZ3 3.75Å; L430-W471 HydrophobicContact CG-CZ2 4.46Å; N431-W471 VanDerWaalsContact ND2-CB 3.31Å; N431-W471 WeakPolarHBondContact ND2-CB 3.23Å; N431-W471 PolarHBondContact ND2-O 3.3Å; L439-W471 HydrophobicContact CD1-CH2 4.19Å; L446-W471 HydrophobicContact CB-CH2 4.04Å; A448-W471 HydrophobicContact CB-CH2 4.17Å; A448-W471 HydrophobicContact CB-CZ3 3.88Å; E462-W471 HydrophobicContact CB-CE3 3.63Å; E462-W471 HydrophobicContact CB-CZ3 4.13Å; C463-W471 CarbonylContact O-C 3.56Å; C463-W471 WeakPolarHBondContact O-CA 3.4Å; Y464-W471 AromaticContact CD2-CD1 3.76Å; Y464-W471 HydrophobicContact CD2-CD2 4.11Å; Y464-W471 AromaticContact CD2-CE2 3.75Å; Y464-W471 HydrophobicContact CD2-CG 4.14Å; Y464-W471 HydrophobicContact CD2-CZ2 4.32Å; Y464-W471 AromaticContact CD2-NE1 3.49Å; Y464-W471 HydrophobicContact CG-CD2 4.3Å; Y464-W471 AromaticContact CG-CE2 3.94Å; Y464-W471 HydrophobicContact CG-CZ2 4.1Å; Y464-W471 VanDerWaalsContact N-CE3 3.33Å
472	T	98.6	Very high	97.2	Very high	74 Å²	74	50.6 Å²	50.6	45%	0.454	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.9	177.4	54.4	0	0	0	0	110.4	E462 C463	E462-T472 CarbonylContact C-O 3.58Å; E462-T472 VanDerWaalsContact CA-O 3.32Å; E462-T472 WeakPolarHBondContact CA-O 3.23Å; C463-T472 PolarHBondContact N-O 3.14Å; C463-T472 PolarHBondContact O-N 2.85Å; C463-T472 PolarHBondContact O-OG1 3.27Å
473	Y	98.8	Very high	97.1	Very high	114 Å²	114	50.8 Å²	50.8	45%	0.447	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	140.3	173.6	-66.2	-77.2	0	0	0	111	N431 E432 T460 V461 E462	N431-Y473 HydrophobicContact CB-CE1 4.44Å; N431-Y473 HydrophobicContact CB-CE2 3.9Å; N431-Y473 VanDerWaalsContact CB-OH 3.24Å; N431-Y473 WeakPolarHBondContact CB-OH 3.37Å; E432-Y473 WeakPolarHBondContact CG-OH 3.39Å; T460-Y473 HydrophobicContact CG2-CE1 4.32Å; V461-Y473 WeakPolarHBondContact O-CA 3.23Å; E462-Y473 HydrophobicContact CG-CD1 3.79Å; E462-Y473 HydrophobicContact CG-CE1 3.75Å
474	V	98.6	Very high	97.1	Very high	33 Å²	33	50.9 Å²	50.9	20%	0.2	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	-175	172.7	-59.8	0	0	0	0	109.4	Y447 V461 C463 K476 F511 D516	Y447-V474 HydrophobicContact CD1-CG2 4.3Å; Y447-V474 HydrophobicContact CE1-CG2 4.37Å; V461-V474 HydrophobicContact CB-CG2 3.72Å; V461-V474 HydrophobicContact CG1-CG2 3.45Å; V461-V474 VanDerWaalsContact CG1-CG2 3.45Å; V461-V474 PolarHBondContact O-N 2.81Å; C463-V474 HydrophobicContact CB-CG1 3.65Å; V474-K476 PolarHBondContact O-N 3.25Å; V474-K476 VanDerWaalsContact O-N 3.16Å; V474-F511 HydrophobicContact CB-CZ 4.35Å; V474-F511 HydrophobicContact CG2-CZ 4.02Å; V474-D516 WeakPolarHBondContact CB-OD1 3.27Å
475	A	98.4	Very high	97	Very high	25 Å²	25	51.2 Å²	51.2	21%	0.207	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-54.1	124.6	-178.5	0	0	0	0	0	112.1	V461 F511 D516 W518	V461-A475 WeakPolarHBondContact CG2-O 3.45Å; A475-F511 HydrophobicContact CB-CE2 4.2Å; A475-D516 WeakPolarHBondContact CB-O 3.15Å; A475-D516 VanDerWaalsContact CB-OD1 3.26Å; A475-D516 WeakPolarHBondContact CB-OD1 3.48Å; A475-D516 PolarHBondContact N-OD1 3.47Å; A475-D516 PolarHBondContact N-OD2 3.21Å; A475-W518 PolarHBondContact O-NE1 3.05Å
476	K	98.1	Very high	97	Very high	141 Å²	141	49.9 Å²	49.9	61%	0.613	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-74.7	159.5	177.8	64.4	173.8	-174.9	173.9	0	112	P459 V474	P459-K476 WeakPolarHBondContact O-CA 3.26Å; P459-K476 WeakPolarHBondContact O-CB 3.3Å; V474-K476 PolarHBondContact O-N 3.25Å; V474-K476 VanDerWaalsContact O-N 3.16Å
477	M	96.6	Very high	97	Very high	10 Å²	10	50.7 Å²	50.7	5%	0.049	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-67.2	155.2	165.5	-62.3	-177.2	-62.7	0	0	110.4	V449 P459 E479 H481 W518	V449-M477 HydrophobicContact CG1-CE 4.02Å; V449-M477 HydrophobicContact CG1-CG 4.28Å; V449-M477 HydrophobicContact CG1-SD 3.6Å; V449-M477 VanDerWaalsContact CG1-SD 3.6Å; P459-M477 PolarHBondContact O-N 3.14Å; M477-E479 VanDerWaalsContact CB-O 3.25Å; M477-E479 WeakPolarHBondContact CB-O 3.35Å; M477-H481 HydrophobicContact CE-CB 4Å; M477-H481 HydrophobicContact SD-CB 4.43Å; M477-W518 HydrophobicContact CG-CH2 4.45Å; M477-W518 HydrophobicContact CG-CZ2 4.11Å
478	S	93.4	Very high	97.1	Very high	97 Å²	97	45.9 Å²	45.9	68%	0.678	25%	0.245	S	C	*	.	S	Bend	trans	-66	-41.9	176.8	49.3	0	0	0	0	111.9
479	E	93.4	Very high	97.1	Very high	93 Å²	93	45 Å²	45	44%	0.435	23%	0.233	S	C	.	.	S	Bend	trans	-116.9	157.1	176.8	-64.8	-56.9	146.1	0	0	110	M477 H481 T500 H501	M477-E479 VanDerWaalsContact CB-O 3.25Å; M477-E479 WeakPolarHBondContact CB-O 3.35Å; E479-H481 PolarHBondContact O-CD2 3.4Å; E479-T500 HydrophobicContact CB-CG2 4.14Å; E479-H501 IonicContact OE2-NE2 3Å
480	P	94.5	Very high	97.1	Very high	19 Å²	19	46.8 Å²	46.8	12%	0.123	26%	0.259	C	S	.	.			trans	-77.5	139.3	172.5	33.6	-35	0	0	0	110.9	E457 P459 T500	E457-P480 HydrophobicContact CB-CB 3.63Å; E457-P480 HydrophobicContact CB-CG 4.05Å; P459-P480 HydrophobicContact CB-CB 4.3Å; P480-T500 WeakPolarHBondContact O-CB 3.18Å; P480-T500 VanDerWaalsContact O-CG2 3.3Å; P480-T500 WeakPolarHBondContact O-CG2 3.49Å; P480-T500 PolarHBondContact O-OG1 3.49Å
481	H	92.7	Very high	97.1	Very high	21 Å²	21	42.7 Å²	42.7	10%	0.097	25%	0.247	C	C	.	.			trans	-135.8	140.8	178.9	-67.3	-111.1	0	0	0	110.6	G451 L458 M477 E479 H484 I499 T500	G451-H481 PolarHBondContact N-O 3.24Å; L458-H481 PolarHBondContact O-N 3.38Å; M477-H481 HydrophobicContact CE-CB 4Å; M477-H481 HydrophobicContact SD-CB 4.43Å; E479-H481 PolarHBondContact O-CD2 3.4Å; H481-H484 WeakPolarHBondContact CB-ND1 3.47Å; H481-H484 PolarHBondContact O-CE1 2.87Å; H481-H484 PolarHBondContact O-ND1 3.01Å; H481-I499 WeakPolarHBondContact CA-O 3.46Å; H481-T500 PolarHBondContact CE1-OG1 2.65Å; H481-T500 VanDerWaalsContact CE1-OG1 3.25Å; H481-T500 PolarHBondContact ND1-OG1 3.27Å; H481-T500 VanDerWaalsContact ND1-OG1 3.14Å
482	Y	96.8	Very high	97	Very high	22 Å²	22	43.1 Å²	43.1	9%	0.086	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-131.4	159.7	165	75.2	-84.8	0	0	0	111	F436 R452 E457 H484 G498 I499	F436-Y482 HydrophobicContact CB-CD2 4.1Å; F436-Y482 HydrophobicContact CG-CD2 4.31Å; F436-Y482 WeakPolarHBondContact O-CA 3.45Å; R452-Y482 HydrophobicContact CB-CG 4.47Å; R452-Y482 HydrophobicContact CG-CD2 4.49Å; R452-Y482 HydrophobicContact CG-CG 4.3Å; R452-Y482 PolarHBondContact NH1-OH 3.5Å; E457-Y482 HydrophobicContact CG-CD1 3.87Å; E457-Y482 HydrophobicContact CG-CE1 4.14Å; E457-Y482 WeakPolarHBondContact OE1-CE1 3.28Å; Y482-H484 PolarHBondContact O-N 3.13Å; Y482-H484 VanDerWaalsContact O-N 3.15Å; Y482-G498 WeakPolarHBondContact O-CA 3.45Å; Y482-I499 HydrophobicContact CD1-CB 4.19Å; Y482-I499 WeakPolarHBondContact CD1-O 3.34Å; Y482-I499 HydrophobicContact CE1-CB 3.7Å; Y482-I499 HydrophobicContact CE1-CG2 3.62Å; Y482-I499 HydrophobicContact CE2-CB 4.17Å; Y482-I499 HydrophobicContact CE2-CD1 3.72Å; Y482-I499 PolarHBondContact N-O 2.97Å; Y482-I499 VanDerWaalsContact N-O 3.07Å; Y482-I499 PolarHBondContact O-N 3.21Å; Y482-I499 WeakPolarHBondContact OH-CG2 3.48Å
483	G	96.1	Very high	97	Very high	5 Å²	5	39.6 Å²	39.6	5%	0.052	23%	0.229	C	C	.	.	S	Bend	trans	64.2	17.7	-178.6	0	0	0	0	0	113.7	F436 L530	F436-G483 PolarHBondContact O-N 3.14Å; G483-L530 PolarHBondContact O-N 2.85Å
484	H	97.7	Very high	97	Very high	11 Å²	11	34.9 Å²	34.9	5%	0.051	21%	0.211	C	C	.	.			trans	-78.3	162.7	170.2	56.6	-91.7	0	0	0	110	H438 V449 H481 Y482 I495 S496 G497	H438-H484 WeakPolarHBondContact CB-NE2 3.33Å; H438-H484 PolarHBondContact N-NE2 3.19Å; V449-H484 PolarHBondContact O-CE1 2.81Å; V449-H484 PolarHBondContact O-NE2 3.38Å; H481-H484 WeakPolarHBondContact CB-ND1 3.47Å; H481-H484 PolarHBondContact O-CE1 2.87Å; H481-H484 PolarHBondContact O-ND1 3.01Å; Y482-H484 PolarHBondContact O-N 3.13Å; Y482-H484 VanDerWaalsContact O-N 3.15Å; H484-I495 HydrophobicContact CB-CG2 3.97Å; H484-I495 WeakPolarHBondContact CD2-CG2 3.29Å; H484-S496 WeakPolarHBondContact CB-O 3.46Å; H484-G497 WeakPolarHBondContact CB-O 3.2Å
485	A	97.8	Very high	97	Very high	7 Å²	7	33.6 Å²	33.6	6%	0.058	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	156.9	174.3	0	0	0	0	0	110.4	I495 S496 H531 M533	A485-I495 CarbonylContact O-C 3.57Å; A485-I495 WeakPolarHBondContact O-CA 3.49Å; A485-S496 PolarHBondContact N-O 3.46Å; A485-S496 PolarHBondContact O-N 2.85Å; A485-S496 PolarHBondContact O-OG 2.86Å; A485-H531 VanDerWaalsContact CB-CD2 3.45Å; A485-H531 WeakPolarHBondContact CB-CD2 3.46Å; A485-H531 WeakPolarHBondContact CB-NE2 3.44Å; A485-H531 WeakPolarHBondContact CB-O 3.41Å; A485-M533 HydrophobicContact CB-CB 3.71Å
486	G	97.8	Very high	97	Very high	5 Å²	5	32.4 Å²	32.4	5%	0.052	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	167.7	179.2	0	0	0	0	0	113.3	H438 Y494	H438-G486 WeakPolarHBondContact CE1-CA 3.42Å; H438-G486 PolarHBondContact CE1-O 2.84Å; H438-G486 PolarHBondContact ND1-N 2.82Å; G486-Y494 CarbonylContact C-O 3.6Å; G486-Y494 WeakPolarHBondContact CA-O 3.43Å
487	T	98.6	Very high	97	Very high	17 Å²	17	25.8 Å²	25.8	10%	0.104	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	170.7	174.5	-160.1	0	0	0	0	110.9	Y494 M533 T535 L540	T487-Y494 PolarHBondContact N-O 3.33Å; T487-Y494 PolarHBondContact O-N 2.83Å; T487-M533 HydrophobicContact CG2-CE 3.92Å; T487-M533 HydrophobicContact CG2-CG 3.81Å; T487-M533 HydrophobicContact CG2-SD 4.1Å; T487-T535 WeakPolarHBondContact CG2-OG1 3.49Å; T487-T535 PolarHBondContact OG1-N 2.85Å; T487-T535 PolarHBondContact OG1-OG1 3.37Å; T487-T535 VanDerWaalsContact OG1-OG1 3.06Å; T487-L540 HydrophobicContact CG2-CB 4.09Å; T487-L540 HydrophobicContact CG2-CD2 3.69Å; T487-L540 HydrophobicContact CG2-CG 3.86Å
488	V	98.5	Very high	97	Very high	38 Å²	38	25.3 Å²	25.3	23%	0.23	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.9	-178	168.6	0	0	0	0	109.7	L442 V492 M493 T535	L442-V488 HydrophobicContact CB-CG2 4.14Å; L442-V488 HydrophobicContact CD1-CG1 3.55Å; L442-V488 HydrophobicContact CD1-CG2 4.27Å; V488-V492 WeakPolarHBondContact CA-O 3.39Å; V488-M493 HydrophobicContact CG2-CB 4.25Å; V488-M493 HydrophobicContact CG2-CG 4.49Å; V488-T535 PolarHBondContact O-OG1 3.36Å
489	Y	98.4	Very high	97.1	Very high	56 Å²	56	21.1 Å²	21.1	22%	0.22	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	142.2	171.4	176.5	-98.8	0	0	0	109.7	G491 V492 T535 G537 E538 L540 P565	Y489-G491 PolarHBondContact O-N 2.81Å; Y489-V492 PolarHBondContact N-O 2.98Å; Y489-V492 VanDerWaalsContact N-O 3.14Å; Y489-V492 VanDerWaalsContact O-CG2 3.23Å; Y489-V492 WeakPolarHBondContact O-CG2 3.4Å; Y489-V492 PolarHBondContact O-N 3Å; Y489-T535 HydrophobicContact CD2-CG2 3.81Å; Y489-T535 HydrophobicContact CG-CG2 4.37Å; Y489-G537 WeakPolarHBondContact CE2-O 3.23Å; Y489-E538 HydrophobicContact CE2-CB 4.21Å; Y489-E538 HydrophobicContact CE2-CG 4.3Å; Y489-E538 WeakPolarHBondContact OH-CG 3.27Å; Y489-L540 HydrophobicContact CD1-CD1 4.41Å; Y489-L540 HydrophobicContact CG-CD1 4.29Å; Y489-P565 HydrophobicContact CD1-CB 4.13Å; Y489-P565 HydrophobicContact CD1-CG 3.61Å; Y489-P565 HydrophobicContact CE1-CB 4.11Å; Y489-P565 HydrophobicContact CE1-CG 3.81Å; Y489-P565 HydrophobicContact CG-CG 4.49Å
490	G	97.1	Very high	97.2	Very high	68 Å²	68	17.1 Å²	17.1	70%	0.701	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	26.1	175	0	0	0	0	0	115.1	V492	G490-V492 VanDerWaalsContact C-N 3.3Å; G490-V492 PolarHBondContact O-N 2.91Å
491	G	97.6	Very high	97	Very high	26 Å²	26	21.8 Å²	21.8	27%	0.268	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	11.8	179.6	0	0	0	0	0	115.2	K443 Y489	K443-G491 WeakPolarHBondContact CE-O 3.37Å; K443-G491 PolarHBondContact NZ-O 3.5Å; Y489-G491 PolarHBondContact O-N 2.81Å
492	V	98.6	Very high	96.8	Very high	23 Å²	23	26.6 Å²	26.6	14%	0.139	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	162.1	174.9	-61	0	0	0	0	110.3	V488 Y489 G490 Y494 F511 D512	V488-V492 WeakPolarHBondContact CA-O 3.39Å; Y489-V492 PolarHBondContact N-O 2.98Å; Y489-V492 VanDerWaalsContact N-O 3.14Å; Y489-V492 VanDerWaalsContact O-CG2 3.23Å; Y489-V492 WeakPolarHBondContact O-CG2 3.4Å; Y489-V492 PolarHBondContact O-N 3Å; G490-V492 VanDerWaalsContact C-N 3.3Å; G490-V492 PolarHBondContact O-N 2.91Å; V492-Y494 HydrophobicContact CG2-CD2 4.34Å; V492-Y494 HydrophobicContact CG2-CE2 3.47Å; V492-Y494 VanDerWaalsContact CG2-CE2 3.47Å; V492-F511 WeakPolarHBondContact CA-O 3.36Å; V492-F511 WeakPolarHBondContact CB-O 3.43Å; V492-D512 HydrophobicContact CG1-CB 3.97Å
493	M	98.7	Very high	96.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	137.5	179.5	175.4	173.7	58	0	0	110.5	L442 Y447 V449 V488 I495 C510 F511 W518	L442-M493 HydrophobicContact CD2-CB 4.08Å; Y447-M493 HydrophobicContact CG-CE 4.43Å; V449-M493 HydrophobicContact CG2-CE 3.35Å; V449-M493 HydrophobicContact CG2-SD 3.81Å; V488-M493 HydrophobicContact CG2-CB 4.25Å; V488-M493 HydrophobicContact CG2-CG 4.49Å; M493-I495 HydrophobicContact CG-CD1 4.13Å; M493-I495 HydrophobicContact SD-CD1 4.18Å; M493-C510 CarbonylContact O-C 3.49Å; M493-C510 WeakPolarHBondContact O-CA 3.46Å; M493-F511 HydrophobicContact CB-CB 4.39Å; M493-F511 HydrophobicContact CE-CB 4.07Å; M493-F511 HydrophobicContact CE-CD1 3.79Å; M493-F511 HydrophobicContact CE-CG 4.2Å; M493-F511 PolarHBondContact N-O 2.82Å; M493-F511 PolarHBondContact O-N 2.96Å; M493-W518 HydrophobicContact CE-CH2 4.02Å; M493-W518 HydrophobicContact CE-CZ2 4.37Å
494	Y	98.8	Very high	96.6	Very high	15 Å²	15	30 Å²	30	6%	0.059	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.6	177.5	-65.5	-95.1	0	0	0	109.7	G486 T487 V492 L508 M509 C510 K521 L540 Y563	G486-Y494 CarbonylContact C-O 3.6Å; G486-Y494 WeakPolarHBondContact CA-O 3.43Å; T487-Y494 PolarHBondContact N-O 3.33Å; T487-Y494 PolarHBondContact O-N 2.83Å; V492-Y494 HydrophobicContact CG2-CD2 4.34Å; V492-Y494 HydrophobicContact CG2-CE2 3.47Å; V492-Y494 VanDerWaalsContact CG2-CE2 3.47Å; Y494-L508 HydrophobicContact CD1-CD1 4.32Å; Y494-L508 HydrophobicContact CD1-CD2 4.29Å; Y494-L508 HydrophobicContact CD1-CG 4.4Å; Y494-M509 CarbonylContact C-O 3.5Å; Y494-M509 WeakPolarHBondContact CA-O 3.22Å; Y494-C510 HydrophobicContact CD1-CB 4Å; Y494-C510 HydrophobicContact CE1-CB 3.9Å; Y494-K521 HydrophobicContact CE1-CG 4.43Å; Y494-L540 HydrophobicContact CD1-CD2 4.11Å; Y494-L540 HydrophobicContact CD2-CD2 3.32Å; Y494-L540 HydrophobicContact CE2-CD2 3.83Å; Y494-L540 HydrophobicContact CG-CD2 3.47Å; Y494-L540 VanDerWaalsContact CG-CD2 3.47Å; Y494-Y563 HydrophobicContact CD1-CE1 4.31Å; Y494-Y563 AromaticContact CE1-CE1 3.93Å; Y494-Y563 HydrophobicContact CE1-CE1 3.93Å
495	I	98.4	Very high	96.6	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.3	177.3	-58.9	-59	0	0	0	108.8	H438 V449 H484 A485 M493 L508 M509 W518	H438-I495 HydrophobicContact CB-CD1 3.96Å; H438-I495 WeakPolarHBondContact CD2-CD1 3.15Å; V449-I495 HydrophobicContact CB-CD1 4.4Å; V449-I495 HydrophobicContact CG1-CD1 4.31Å; V449-I495 HydrophobicContact CG1-CG1 4.19Å; V449-I495 HydrophobicContact CG2-CD1 4.3Å; H484-I495 HydrophobicContact CB-CG2 3.97Å; H484-I495 WeakPolarHBondContact CD2-CG2 3.29Å; A485-I495 CarbonylContact O-C 3.57Å; A485-I495 WeakPolarHBondContact O-CA 3.49Å; M493-I495 HydrophobicContact CG-CD1 4.13Å; M493-I495 HydrophobicContact SD-CD1 4.18Å; I495-L508 CarbonylContact O-C 3.57Å; I495-L508 WeakPolarHBondContact O-CA 3.47Å; I495-M509 PolarHBondContact N-O 3.11Å; I495-M509 PolarHBondContact O-N 2.63Å; I495-W518 HydrophobicContact CB-CZ3 4.24Å; I495-W518 HydrophobicContact CG1-CH2 3.64Å; I495-W518 HydrophobicContact CG1-CZ3 3.73Å
496	S	98.1	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	141.8	-178.6	60.3	0	0	0	0	112.4	H484 A485 E507 H531 M533	H484-S496 WeakPolarHBondContact CB-O 3.46Å; A485-S496 PolarHBondContact N-O 3.46Å; A485-S496 PolarHBondContact O-N 2.85Å; A485-S496 PolarHBondContact O-OG 2.86Å; S496-E507 WeakPolarHBondContact CA-O 3.39Å; S496-H531 PolarHBondContact O-CE1 2.77Å; S496-H531 PolarHBondContact O-NE2 3.07Å; S496-H531 VanDerWaalsContact O-NE2 3.13Å; S496-H531 PolarHBondContact OG-NE2 2.88Å; S496-M533 PolarHBondContact OG-SD 2.92Å; S496-M533 VanDerWaalsContact OG-SD 3.37Å
497	G	97.3	Very high	96.5	Very high	3 Å²	3	37.4 Å²	37.4	3%	0.031	21%	0.212	C	C	.	.			trans	57.9	-137.2	168.6	0	0	0	0	0	114.6	H484 Q505 E507	H484-G497 WeakPolarHBondContact CB-O 3.2Å; G497-Q505 WeakPolarHBondContact CA-O 3.24Å; G497-E507 PolarHBondContact N-O 2.84Å
498	G	97	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.207	C	C	.	.			trans	91.5	-162	-174.1	0	0	0	0	0	112.6	Y482 F504 Q505 R528	Y482-G498 WeakPolarHBondContact O-CA 3.45Å; G498-F504 WeakPolarHBondContact O-CA 3.34Å; G498-Q505 PolarHBondContact O-N 2.78Å; G498-R528 PolarHBondContact N-O 3.13Å
499	I	95.8	Very high	96.5	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.5	-174.6	-56	162	0	0	0	108.9	H481 Y482 T503 F504	H481-I499 WeakPolarHBondContact CA-O 3.46Å; Y482-I499 HydrophobicContact CD1-CB 4.19Å; Y482-I499 WeakPolarHBondContact CD1-O 3.34Å; Y482-I499 HydrophobicContact CE1-CB 3.7Å; Y482-I499 HydrophobicContact CE1-CG2 3.62Å; Y482-I499 HydrophobicContact CE2-CB 4.17Å; Y482-I499 HydrophobicContact CE2-CD1 3.72Å; Y482-I499 PolarHBondContact N-O 2.97Å; Y482-I499 VanDerWaalsContact N-O 3.07Å; Y482-I499 PolarHBondContact O-N 3.21Å; Y482-I499 WeakPolarHBondContact OH-CG2 3.48Å; I499-T503 WeakPolarHBondContact CA-O 3.42Å; I499-F504 HydrophobicContact CD1-CD1 4.38Å; I499-F504 HydrophobicContact CD1-CE1 3.88Å; I499-F504 HydrophobicContact CD1-CZ 4.35Å; I499-F504 HydrophobicContact CG1-CD1 3.8Å; I499-F504 HydrophobicContact CG1-CE1 3.82Å
500	T	94.8	Very high	96.5	Very high	9 Å²	9	34.2 Å²	34.2	6%	0.055	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	125.3	175.8	-61.3	0	0	0	0	107.4	E479 P480 H481 D502 T503	E479-T500 HydrophobicContact CB-CG2 4.14Å; P480-T500 WeakPolarHBondContact O-CB 3.18Å; P480-T500 VanDerWaalsContact O-CG2 3.3Å; P480-T500 WeakPolarHBondContact O-CG2 3.49Å; P480-T500 PolarHBondContact O-OG1 3.49Å; H481-T500 PolarHBondContact CE1-OG1 2.65Å; H481-T500 VanDerWaalsContact CE1-OG1 3.25Å; H481-T500 PolarHBondContact ND1-OG1 3.27Å; H481-T500 VanDerWaalsContact ND1-OG1 3.14Å; T500-D502 VanDerWaalsContact C-N 3.28Å; T500-D502 PolarHBondContact O-N 3.04Å; T500-T503 PolarHBondContact N-O 2.94Å; T500-T503 WeakPolarHBondContact O-CB 3.01Å; T500-T503 PolarHBondContact O-N 3.05Å
501	H	91.6	Very high	96.6	Very high	118 Å²	118	31 Å²	31	55%	0.546	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	49.4	179	-54.1	-32.7	0	0	0	112.7	E457 E479 T503	E457-H501 PolarHBondContact OE1-N 3.43Å; E457-H501 IonicContact OE2-CE1 3.7Å; E457-H501 PolarHBondContact OE2-N 3.4Å; E457-H501 VanDerWaalsContact OE2-N 3.09Å; E457-H501 IonicContact OE2-ND1 2.69Å; E457-H501 PolarHBondContact OE2-ND1 3.48Å; E479-H501 IonicContact OE2-NE2 3Å; H501-T503 PolarHBondContact O-N 2.9Å; H501-T503 PolarHBondContact O-OG1 2.84Å
502	D	87.5	Confident	96.6	Very high	121 Å²	121	31.5 Å²	31.5	65%	0.647	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	13.7	-177.5	-61.1	-49	0	0	0	115.6	T500	T500-D502 VanDerWaalsContact C-N 3.28Å; T500-D502 PolarHBondContact O-N 3.04Å
503	T	93.3	Very high	96.6	Very high	83 Å²	83	31.5 Å²	31.5	51%	0.509	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.5	178.7	-56.3	0	0	0	0	111.3	I499 T500 H501 Q505	I499-T503 WeakPolarHBondContact CA-O 3.42Å; T500-T503 PolarHBondContact N-O 2.94Å; T500-T503 WeakPolarHBondContact O-CB 3.01Å; T500-T503 PolarHBondContact O-N 3.05Å; H501-T503 PolarHBondContact O-N 2.9Å; H501-T503 PolarHBondContact O-OG1 2.84Å; T503-Q505 PolarHBondContact O-NE2 3.34Å
504	F	95.8	Very high	96.6	Very high	17 Å²	17	37.4 Å²	37.4	8%	0.075	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	135.6	175.3	-70.3	-83.1	0	0	0	111.8	G498 I499 V527 N546 H547 F548 Y554	G498-F504 WeakPolarHBondContact O-CA 3.34Å; I499-F504 HydrophobicContact CD1-CD1 4.38Å; I499-F504 HydrophobicContact CD1-CE1 3.88Å; I499-F504 HydrophobicContact CD1-CZ 4.35Å; I499-F504 HydrophobicContact CG1-CD1 3.8Å; I499-F504 HydrophobicContact CG1-CE1 3.82Å; F504-V527 HydrophobicContact CB-CB 3.9Å; F504-V527 HydrophobicContact CB-CG2 4.05Å; F504-N546 WeakPolarHBondContact CD1-O 3.02Å; F504-N546 WeakPolarHBondContact CE1-O 3.45Å; F504-H547 HydrophobicContact CD2-CB 4.27Å; F504-H547 HydrophobicContact CE2-CB 4.5Å; F504-H547 HydrophobicContact CG-CB 4.26Å; F504-F548 AromaticContact CD2-CD2 3.77Å; F504-F548 HydrophobicContact CD2-CD2 3.77Å; F504-F548 AromaticContact CD2-CE2 3.96Å; F504-F548 HydrophobicContact CD2-CE2 3.96Å; F504-F548 HydrophobicContact CD2-CG 4.3Å; F504-F548 HydrophobicContact CE2-CD1 4.08Å; F504-F548 AromaticContact CE2-CD2 3.57Å; F504-F548 HydrophobicContact CE2-CD2 3.57Å; F504-F548 HydrophobicContact CE2-CE1 4.09Å; F504-F548 AromaticContact CE2-CE2 3.58Å; F504-F548 HydrophobicContact CE2-CE2 3.58Å; F504-F548 AromaticContact CE2-CG 3.82Å; F504-F548 HydrophobicContact CE2-CG 3.82Å; F504-F548 AromaticContact CE2-CZ 3.84Å; F504-F548 HydrophobicContact CE2-CZ 3.84Å; F504-Y554 HydrophobicContact CE2-CE1 4.32Å; F504-Y554 HydrophobicContact CZ-CD1 4.12Å; F504-Y554 AromaticContact CZ-CE1 3.83Å; F504-Y554 HydrophobicContact CZ-CE1 3.83Å
505	Q	96.9	Very high	96.5	Very high	37 Å²	37	40.1 Å²	40.1	17%	0.173	21%	0.211	C	C	.	.			trans	-105.8	158.1	-175.5	-57.1	-53.9	-48.1	0	0	110.7	G497 G498 T503 E507 V527 R528	G497-Q505 WeakPolarHBondContact CA-O 3.24Å; G498-Q505 PolarHBondContact O-N 2.78Å; T503-Q505 PolarHBondContact O-NE2 3.34Å; Q505-E507 VanDerWaalsContact CB-OE2 3.3Å; Q505-E507 WeakPolarHBondContact CB-OE2 3.5Å; Q505-E507 PolarHBondContact OE1-OE2 2.94Å; Q505-V527 WeakPolarHBondContact O-CA 3.31Å; Q505-R528 PolarHBondContact O-N 2.91Å; Q505-R528 VanDerWaalsContact O-N 3.14Å
506	K	97	Very high	96.5	Very high	83 Å²	83	43.2 Å²	43.2	36%	0.361	23%	0.227	S	C	.	.			trans	-126.6	-3.3	174.3	61.1	176	-176.5	175.1	0	113.5	P523 M524 V527	K506-P523 HydrophobicContact CD-CB 4.39Å; K506-P523 HydrophobicContact CG-CB 4.12Å; K506-P523 WeakPolarHBondContact O-CA 3.34Å; K506-M524 HydrophobicContact CB-CB 4.3Å; K506-M524 HydrophobicContact CB-CE 4.49Å; K506-M524 PolarHBondContact O-N 2.98Å; K506-V527 HydrophobicContact CB-CG1 3.87Å; K506-V527 HydrophobicContact CD-CG1 4.27Å; K506-V527 HydrophobicContact CG-CG1 4.13Å
507	E	97.7	Very high	96.5	Very high	57 Å²	57	49.5 Å²	49.5	27%	0.266	26%	0.255	S	S	.	.			trans	-63	146.8	-175.4	-70	66.1	-151.3	0	0	110.5	S496 G497 Q505	S496-E507 WeakPolarHBondContact CA-O 3.39Å; G497-E507 PolarHBondContact N-O 2.84Å; Q505-E507 VanDerWaalsContact CB-OE2 3.3Å; Q505-E507 WeakPolarHBondContact CB-OE2 3.5Å; Q505-E507 PolarHBondContact OE1-OE2 2.94Å
508	L	98.4	Very high	96.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.6	170.9	179.9	66.6	0	0	0	108.2	Y494 I495 K521 A522 M533 Y563 W570	Y494-L508 HydrophobicContact CD1-CD1 4.32Å; Y494-L508 HydrophobicContact CD1-CD2 4.29Å; Y494-L508 HydrophobicContact CD1-CG 4.4Å; I495-L508 CarbonylContact O-C 3.57Å; I495-L508 WeakPolarHBondContact O-CA 3.47Å; L508-K521 HydrophobicContact CB-CB 4.13Å; L508-K521 HydrophobicContact CD2-CB 3.67Å; L508-K521 HydrophobicContact CD2-CG 4.4Å; L508-K521 HydrophobicContact CG-CB 3.89Å; L508-K521 PolarHBondContact O-N 2.93Å; L508-A522 WeakPolarHBondContact CB-O 3.33Å; L508-M533 HydrophobicContact CD1-CE 4.08Å; L508-Y563 HydrophobicContact CD2-CD1 3.78Å; L508-Y563 HydrophobicContact CD2-CD2 3.71Å; L508-Y563 HydrophobicContact CD2-CE1 3.71Å; L508-Y563 HydrophobicContact CD2-CE2 3.63Å; L508-Y563 HydrophobicContact CD2-CG 3.78Å; L508-W570 HydrophobicContact CB-CZ2 4.33Å; L508-W570 HydrophobicContact CD1-CZ2 4.14Å; L508-W570 HydrophobicContact CD2-CZ2 3.8Å; L508-W570 HydrophobicContact CG-CZ2 4.31Å
509	M	98.3	Very high	96.6	Very high	36 Å²	36	55.8 Å²	55.8	18%	0.177	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.3	178	-60.5	-57.5	-66.1	0	0	109.7	Y494 I495 W518 Q520	Y494-M509 CarbonylContact C-O 3.5Å; Y494-M509 WeakPolarHBondContact CA-O 3.22Å; I495-M509 PolarHBondContact N-O 3.11Å; I495-M509 PolarHBondContact O-N 2.63Å; M509-W518 HydrophobicContact CB-CE3 3.68Å; M509-W518 HydrophobicContact CB-CZ3 3.87Å; M509-W518 HydrophobicContact CE-CB 4.16Å; M509-Q520 HydrophobicContact CE-CB 4.24Å; M509-Q520 HydrophobicContact SD-CB 3.81Å; M509-Q520 HydrophobicContact SD-CG 3.93Å
510	C	98.4	Very high	96.7	Very high	9 Å²	9	61.3 Å²	61.3	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.4	179	178.5	0	0	0	0	109.5	M493 Y494 W518 I519 K521	M493-C510 CarbonylContact O-C 3.49Å; M493-C510 WeakPolarHBondContact O-CA 3.46Å; Y494-C510 HydrophobicContact CD1-CB 4Å; Y494-C510 HydrophobicContact CE1-CB 3.9Å; C510-W518 CarbonylContact O-C 3.6Å; C510-W518 WeakPolarHBondContact O-CA 3.45Å; C510-I519 WeakPolarHBondContact CB-O 3.5Å; C510-I519 PolarHBondContact N-O 2.92Å; C510-I519 PolarHBondContact O-N 3.19Å; C510-K521 HydrophobicContact CB-CG 3.92Å
511	F	98.7	Very high	96.9	Very high	1 Å²	1	63.6 Å²	63.6	0%	0.004	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.8	175.1	178	-109.7	0	0	0	111.1	Y447 V474 A475 V492 M493 P513 D516 K517 W518	Y447-F511 AromaticContact CD1-CE1 3.89Å; Y447-F511 HydrophobicContact CD1-CE1 3.89Å; Y447-F511 AromaticContact CE1-CE1 3.63Å; Y447-F511 HydrophobicContact CE1-CE1 3.63Å; Y447-F511 HydrophobicContact CE1-CZ 4.29Å; V474-F511 HydrophobicContact CB-CZ 4.35Å; V474-F511 HydrophobicContact CG2-CZ 4.02Å; A475-F511 HydrophobicContact CB-CE2 4.2Å; V492-F511 WeakPolarHBondContact CA-O 3.36Å; V492-F511 WeakPolarHBondContact CB-O 3.43Å; M493-F511 HydrophobicContact CB-CB 4.39Å; M493-F511 HydrophobicContact CE-CB 4.07Å; M493-F511 HydrophobicContact CE-CD1 3.79Å; M493-F511 HydrophobicContact CE-CG 4.2Å; M493-F511 PolarHBondContact N-O 2.82Å; M493-F511 PolarHBondContact O-N 2.96Å; F511-P513 HydrophobicContact CE1-CB 3.87Å; F511-P513 HydrophobicContact CZ-CB 4.49Å; F511-D516 WeakPolarHBondContact CE2-OD1 3.44Å; F511-D516 WeakPolarHBondContact CZ-OD1 3.35Å; F511-K517 WeakPolarHBondContact CA-O 3.19Å; F511-W518 HydrophobicContact CB-CD2 3.8Å; F511-W518 HydrophobicContact CB-CE3 3.64Å; F511-W518 HydrophobicContact CB-CH2 3.61Å; F511-W518 HydrophobicContact CB-CZ2 3.71Å; F511-W518 HydrophobicContact CB-CZ3 3.57Å; F511-W518 AromaticContact CD2-CD1 3.91Å; F511-W518 AromaticContact CD2-CD2 3.96Å; F511-W518 HydrophobicContact CD2-CD2 3.96Å; F511-W518 AromaticContact CD2-CE2 3.57Å; F511-W518 HydrophobicContact CD2-CG 4.17Å; F511-W518 AromaticContact CD2-CZ2 3.99Å; F511-W518 HydrophobicContact CD2-CZ2 3.99Å; F511-W518 AromaticContact CD2-NE1 3.51Å; F511-W518 HydrophobicContact CG-CD2 4.31Å; F511-W518 AromaticContact CG-CE2 3.95Å; F511-W518 HydrophobicContact CG-CH2 4.32Å; F511-W518 AromaticContact CG-CZ2 3.95Å; F511-W518 HydrophobicContact CG-CZ2 3.95Å
512	D	98.4	Very high	97.2	Very high	35 Å²	35	59.2 Å²	59.2	19%	0.187	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.7	170.4	175.1	12.5	0	0	0	110.2	V492 D514 T515 D516 K517	V492-D512 HydrophobicContact CG1-CB 3.97Å; D512-D514 VanDerWaalsContact C-N 3.27Å; D512-D514 PolarHBondContact O-N 2.95Å; D512-D514 PolarHBondContact OD1-N 2.85Å; D512-T515 WeakPolarHBondContact CB-OG1 3.42Å; D512-T515 VanDerWaalsContact CG-OG1 3.27Å; D512-T515 VanDerWaalsContact OD2-CG2 3.31Å; D512-T515 WeakPolarHBondContact OD2-CG2 3.3Å; D512-T515 PolarHBondContact OD2-OG1 2.74Å; D512-D516 WeakPolarHBondContact O-CA 3.39Å; D512-D516 PolarHBondContact O-N 2.88Å; D512-K517 PolarHBondContact N-O 3.17Å; D512-K517 PolarHBondContact O-N 2.84Å
513	P	97.8	Very high	97.7	Very high	24 Å²	24	56.2 Å²	56.2	16%	0.156	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.9	-179.4	31.9	-38.8	0	0	0	113.6	L442 K443 Y447 F511	L442-P513 HydrophobicContact CD2-CB 4.22Å; L442-P513 HydrophobicContact CD2-CG 3.64Å; L442-P513 HydrophobicContact CG-CG 4.18Å; K443-P513 HydrophobicContact CD-CG 3.95Å; Y447-P513 HydrophobicContact CE1-CB 4.47Å; Y447-P513 WeakPolarHBondContact OH-CB 3.3Å; F511-P513 HydrophobicContact CE1-CB 3.87Å; F511-P513 HydrophobicContact CZ-CB 4.49Å
514	D	97.7	Very high	98	Very high	123 Å²	123	52.4 Å²	52.4	66%	0.658	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-33.8	-179.4	-63.8	-18.9	0	0	0	111.2	K443 D512	K443-D514 IonicContact NZ-OD1 2.74Å; K443-D514 PolarHBondContact NZ-OD1 2.89Å; K443-D514 IonicContact NZ-OD2 2.82Å; K443-D514 PolarHBondContact NZ-OD2 2.8Å; D512-D514 VanDerWaalsContact C-N 3.27Å; D512-D514 PolarHBondContact O-N 2.95Å; D512-D514 PolarHBondContact OD1-N 2.85Å
515	T	97.9	Very high	98	Very high	73 Å²	73	56.7 Å²	56.7	45%	0.448	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-7.6	177.9	58.6	0	0	0	0	113.6	D512 K517	D512-T515 WeakPolarHBondContact CB-OG1 3.42Å; D512-T515 VanDerWaalsContact CG-OG1 3.27Å; D512-T515 VanDerWaalsContact OD2-CG2 3.31Å; D512-T515 WeakPolarHBondContact OD2-CG2 3.3Å; D512-T515 PolarHBondContact OD2-OG1 2.74Å; T515-K517 VanDerWaalsContact C-N 3.35Å; T515-K517 WeakPolarHBondContact O-CG 3.46Å; T515-K517 PolarHBondContact O-N 2.8Å
516	D	98.2	Very high	97.9	Very high	71 Å²	71	56.5 Å²	56.5	38%	0.38	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	51.1	-174.4	-166.3	31.1	0	0	0	112.3	V474 A475 F511 D512	V474-D516 WeakPolarHBondContact CB-OD1 3.27Å; A475-D516 WeakPolarHBondContact CB-O 3.15Å; A475-D516 VanDerWaalsContact CB-OD1 3.26Å; A475-D516 WeakPolarHBondContact CB-OD1 3.48Å; A475-D516 PolarHBondContact N-OD1 3.47Å; A475-D516 PolarHBondContact N-OD2 3.21Å; F511-D516 WeakPolarHBondContact CE2-OD1 3.44Å; F511-D516 WeakPolarHBondContact CZ-OD1 3.35Å; D512-D516 WeakPolarHBondContact O-CA 3.39Å; D512-D516 PolarHBondContact O-N 2.88Å
517	K	98.1	Very high	97.8	Very high	131 Å²	131	55.2 Å²	55.2	57%	0.57	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.4	147.8	-174.2	-76.1	176.3	-171.7	-179.6	0	113	F511 D512 T515	F511-K517 WeakPolarHBondContact CA-O 3.19Å; D512-K517 PolarHBondContact N-O 3.17Å; D512-K517 PolarHBondContact O-N 2.84Å; T515-K517 VanDerWaalsContact C-N 3.35Å; T515-K517 WeakPolarHBondContact O-CG 3.46Å; T515-K517 PolarHBondContact O-N 2.8Å
518	W	98.4	Very high	97.8	Very high	42 Å²	42	52.5 Å²	52.5	16%	0.159	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.7	171.1	-69	92.5	0	0	0	110.8	V449 V461 A475 M477 M493 I495 M509 C510 F511	V449-W518 HydrophobicContact CG1-CH2 4Å; V449-W518 HydrophobicContact CG1-CZ2 4.2Å; V449-W518 HydrophobicContact CG2-CH2 4.41Å; V461-W518 HydrophobicContact CG2-CZ2 3.92Å; A475-W518 PolarHBondContact O-NE1 3.05Å; M477-W518 HydrophobicContact CG-CH2 4.45Å; M477-W518 HydrophobicContact CG-CZ2 4.11Å; M493-W518 HydrophobicContact CE-CH2 4.02Å; M493-W518 HydrophobicContact CE-CZ2 4.37Å; I495-W518 HydrophobicContact CB-CZ3 4.24Å; I495-W518 HydrophobicContact CG1-CH2 3.64Å; I495-W518 HydrophobicContact CG1-CZ3 3.73Å; M509-W518 HydrophobicContact CB-CE3 3.68Å; M509-W518 HydrophobicContact CB-CZ3 3.87Å; M509-W518 HydrophobicContact CE-CB 4.16Å; C510-W518 CarbonylContact O-C 3.6Å; C510-W518 WeakPolarHBondContact O-CA 3.45Å; F511-W518 HydrophobicContact CB-CD2 3.8Å; F511-W518 HydrophobicContact CB-CE3 3.64Å; F511-W518 HydrophobicContact CB-CH2 3.61Å; F511-W518 HydrophobicContact CB-CZ2 3.71Å; F511-W518 HydrophobicContact CB-CZ3 3.57Å; F511-W518 AromaticContact CD2-CD1 3.91Å; F511-W518 AromaticContact CD2-CD2 3.96Å; F511-W518 HydrophobicContact CD2-CD2 3.96Å; F511-W518 AromaticContact CD2-CE2 3.57Å; F511-W518 HydrophobicContact CD2-CG 4.17Å; F511-W518 AromaticContact CD2-CZ2 3.99Å; F511-W518 HydrophobicContact CD2-CZ2 3.99Å; F511-W518 AromaticContact CD2-NE1 3.51Å; F511-W518 HydrophobicContact CG-CD2 4.31Å; F511-W518 AromaticContact CG-CE2 3.95Å; F511-W518 HydrophobicContact CG-CH2 4.32Å; F511-W518 AromaticContact CG-CZ2 3.95Å; F511-W518 HydrophobicContact CG-CZ2 3.95Å
519	I	97.8	Very high	97.7	Very high	94 Å²	94	52.5 Å²	52.5	48%	0.482	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.6	176.7	-58	175.4	0	0	0	108.2	C510	C510-I519 WeakPolarHBondContact CB-O 3.5Å; C510-I519 PolarHBondContact N-O 2.92Å; C510-I519 PolarHBondContact O-N 3.19Å
520	Q	98.1	Very high	97.6	Very high	124 Å²	124	52 Å²	52	58%	0.579	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	139	174.3	-172.3	172.7	-4.2	0	0	110.8	M509	M509-Q520 HydrophobicContact CE-CB 4.24Å; M509-Q520 HydrophobicContact SD-CB 3.81Å; M509-Q520 HydrophobicContact SD-CG 3.93Å
521	K	98.4	Very high	97.5	Very high	57 Å²	57	52.1 Å²	52.1	25%	0.248	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	177.3	176.5	-66	-60.1	-171	174	0	110.7	Y494 L508 C510	Y494-K521 HydrophobicContact CE1-CG 4.43Å; L508-K521 HydrophobicContact CB-CB 4.13Å; L508-K521 HydrophobicContact CD2-CB 3.67Å; L508-K521 HydrophobicContact CD2-CG 4.4Å; L508-K521 HydrophobicContact CG-CB 3.89Å; L508-K521 PolarHBondContact O-N 2.93Å; C510-K521 HydrophobicContact CB-CG 3.92Å
522	A	98.4	Very high	97.4	Very high	25 Å²	25	52.4 Å²	52.4	21%	0.207	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-55.1	128.9	176.4	0	0	0	0	0	110.7	L508 Y563 D568 W570	L508-A522 WeakPolarHBondContact CB-O 3.33Å; A522-Y563 HydrophobicContact CB-CE2 4.42Å; A522-D568 WeakPolarHBondContact CB-O 3.39Å; A522-D568 VanDerWaalsContact CB-OD1 3.26Å; A522-D568 WeakPolarHBondContact CB-OD1 3.3Å; A522-D568 PolarHBondContact N-OD1 2.82Å; A522-W570 PolarHBondContact O-NE1 2.8Å
523	P	98.4	Very high	97.4	Very high	58 Å²	58	51.2 Å²	51.2	38%	0.377	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-73.3	155.4	-178.7	31.2	-35.3	0	0	0	111.2	K506 W570	K506-P523 HydrophobicContact CD-CB 4.39Å; K506-P523 HydrophobicContact CG-CB 4.12Å; K506-P523 WeakPolarHBondContact O-CA 3.34Å; P523-W570 PolarHBondContact O-NE1 3Å
524	M	98.1	Very high	97.4	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.015	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-59.7	162.6	170.7	-65.3	-179.4	-62.7	0	0	111.6	K506 R528 V542 W570	K506-M524 HydrophobicContact CB-CB 4.3Å; K506-M524 HydrophobicContact CB-CE 4.49Å; K506-M524 PolarHBondContact O-N 2.98Å; M524-R528 HydrophobicContact CE-CG 3.66Å; M524-R528 HydrophobicContact SD-CG 4.18Å; M524-V542 HydrophobicContact SD-CB 4.19Å; M524-V542 HydrophobicContact SD-CG1 3.65Å; M524-V542 HydrophobicContact SD-CG2 4Å; M524-W570 HydrophobicContact CG-CD2 4.11Å; M524-W570 HydrophobicContact CG-CE3 4.38Å; M524-W570 HydrophobicContact CG-CH2 3.71Å; M524-W570 HydrophobicContact CG-CZ2 3.36Å; M524-W570 HydrophobicContact CG-CZ3 4.2Å; M524-W570 HydrophobicContact SD-CH2 4.23Å; M524-W570 HydrophobicContact SD-CZ2 4.37Å
525	T	96.3	Very high	97.5	Very high	107 Å²	107	46 Å²	46	66%	0.656	25%	0.247	S	C	*	.	S	Bend	trans	-74.5	-37.8	176.9	-45.2	0	0	0	0	111.7	E561	T525-E561 PolarHBondContact N-OE2 2.95Å; T525-E561 PolarHBondContact OG1-OE2 3.12Å; T525-E561 VanDerWaalsContact OG1-OE2 3.07Å
526	T	94.5	Very high	97.5	Very high	34 Å²	34	43.3 Å²	43.3	21%	0.209	23%	0.23	C	C	.	.	S	Bend	trans	-116.1	134.5	-175.3	-49.9	0	0	0	0	110.6	V557	T526-V557 HydrophobicContact CG2-CG1 4.02Å
527	V	96	Very high	97.4	Very high	55 Å²	55	43 Å²	43	33%	0.333	24%	0.243	S	C	.	.			trans	-66.9	138.8	169.4	-64.8	0	0	0	0	109.8	F504 Q505 K506 H547	F504-V527 HydrophobicContact CB-CB 3.9Å; F504-V527 HydrophobicContact CB-CG2 4.05Å; Q505-V527 WeakPolarHBondContact O-CA 3.31Å; K506-V527 HydrophobicContact CB-CG1 3.87Å; K506-V527 HydrophobicContact CD-CG1 4.27Å; K506-V527 HydrophobicContact CG-CG1 4.13Å; V527-H547 HydrophobicContact CG2-CB 4.1Å; V527-H547 PolarHBondContact O-CD2 2.81Å
528	R	96.6	Very high	97.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.243	C	C	.	.			trans	-158.2	147.4	-179.1	56.3	177.6	88.1	-134	6.3	112.1	G498 Q505 M524 H531 G544 N546 V557 S559 E561	G498-R528 PolarHBondContact N-O 3.13Å; Q505-R528 PolarHBondContact O-N 2.91Å; Q505-R528 VanDerWaalsContact O-N 3.14Å; M524-R528 HydrophobicContact CE-CG 3.66Å; M524-R528 HydrophobicContact SD-CG 4.18Å; R528-H531 VanDerWaalsContact CD-CG 3.48Å; R528-H531 HydrophobicContact CG-CB 4.25Å; R528-G544 PolarHBondContact NH1-O 2.75Å; R528-N546 WeakPolarHBondContact CA-O 3.13Å; R528-V557 HydrophobicContact CB-CG2 4.28Å; R528-S559 PolarHBondContact NH1-O 2.88Å; R528-S559 PolarHBondContact NH2-O 3.4Å; R528-E561 IonicContact CZ-OE1 3.86Å; R528-E561 IonicContact NH2-OE1 3.59Å; R528-E561 PolarHBondContact NH2-OE1 2.94Å
529	G	96.3	Very high	97.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-129.6	164.1	168.6	0	0	0	0	0	110.2	H531 G545 N546	G529-H531 PolarHBondContact O-N 3.38Å; G529-G545 CarbonylContact O-C 3.43Å; G529-G545 WeakPolarHBondContact O-CA 3.3Å; G529-N546 PolarHBondContact N-O 3.08Å; G529-N546 PolarHBondContact O-N 3.29Å; G529-N546 PolarHBondContact O-OD1 3.19Å
530	L	96	Very high	97.4	Very high	25 Å²	25	41 Å²	41	13%	0.131	23%	0.231	C	C	.	.	S	Bend	trans	53.4	22.4	-177.7	-52.4	177.5	0	0	0	113.8	F436 G483 S581 D582 W600	F436-L530 HydrophobicContact CD1-CD2 3.59Å; F436-L530 HydrophobicContact CE1-CD2 3.73Å; G483-L530 PolarHBondContact O-N 2.85Å; L530-S581 WeakPolarHBondContact O-CA 3.37Å; L530-D582 PolarHBondContact O-N 3.37Å; L530-W600 HydrophobicContact CD1-CZ2 4.32Å
531	H	97.6	Very high	97.4	Very high	13 Å²	13	35.2 Å²	35.2	6%	0.06	20%	0.204	C	C	.	.			trans	-79.5	177.7	172.8	63.4	-75.2	0	0	0	110.7	A485 S496 R528 G529 I543 G544	A485-H531 VanDerWaalsContact CB-CD2 3.45Å; A485-H531 WeakPolarHBondContact CB-CD2 3.46Å; A485-H531 WeakPolarHBondContact CB-NE2 3.44Å; A485-H531 WeakPolarHBondContact CB-O 3.41Å; S496-H531 PolarHBondContact O-CE1 2.77Å; S496-H531 PolarHBondContact O-NE2 3.07Å; S496-H531 VanDerWaalsContact O-NE2 3.13Å; S496-H531 PolarHBondContact OG-NE2 2.88Å; R528-H531 VanDerWaalsContact CD-CG 3.48Å; R528-H531 HydrophobicContact CG-CB 4.25Å; G529-H531 PolarHBondContact O-N 3.38Å; H531-I543 WeakPolarHBondContact CB-O 3.49Å; H531-G544 VanDerWaalsContact CB-O 3.22Å; H531-G544 WeakPolarHBondContact CB-O 3.33Å
532	C	97.3	Very high	97.4	Very high	7 Å²	7	32.5 Å²	32.5	5%	0.047	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	159.2	170.6	68.6	0	0	0	0	111.4	I543 V583 V585	C532-I543 PolarHBondContact N-O 2.87Å; C532-I543 PolarHBondContact O-N 2.93Å; C532-V583 HydrophobicContact CB-CG2 3.61Å; C532-V585 HydrophobicContact CB-CB 3.88Å; C532-V585 HydrophobicContact CB-CG1 3.77Å; C532-V585 HydrophobicContact CB-CG2 4.48Å
533	M	97.9	Very high	97.4	Very high	9 Å²	9	31.3 Å²	31.3	4%	0.044	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	139.6	178.6	-170	176.6	-171.8	0	0	109.5	A485 T487 S496 L508 L540 Y541 V542 W570	A485-M533 HydrophobicContact CB-CB 3.71Å; T487-M533 HydrophobicContact CG2-CE 3.92Å; T487-M533 HydrophobicContact CG2-CG 3.81Å; T487-M533 HydrophobicContact CG2-SD 4.1Å; S496-M533 PolarHBondContact OG-SD 2.92Å; S496-M533 VanDerWaalsContact OG-SD 3.37Å; L508-M533 HydrophobicContact CD1-CE 4.08Å; M533-L540 HydrophobicContact CE-CB 3.66Å; M533-L540 HydrophobicContact CE-CD2 3.85Å; M533-L540 HydrophobicContact CE-CG 4.37Å; M533-Y541 WeakPolarHBondContact CA-O 3.5Å; M533-Y541 VanDerWaalsContact CG-O 3.3Å; M533-Y541 WeakPolarHBondContact CG-O 3.45Å; M533-V542 HydrophobicContact CB-CG2 4.22Å; M533-V542 HydrophobicContact CE-CG2 4.23Å; M533-V542 HydrophobicContact CG-CG2 3.8Å; M533-V542 HydrophobicContact SD-CG2 4.04Å; M533-W570 HydrophobicContact CE-CH2 4.26Å
534	C	98.3	Very high	97.3	Very high	8 Å²	8	28.6 Å²	28.6	5%	0.054	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	158	175.9	63.6	0	0	0	0	111.9	L540 Y541 V585 V587 I592	C534-L540 CarbonylContact O-C 3.52Å; C534-Y541 PolarHBondContact N-O 2.82Å; C534-Y541 VanDerWaalsContact N-O 3.07Å; C534-Y541 PolarHBondContact O-N 2.84Å; C534-V585 HydrophobicContact CB-CG2 4.1Å; C534-V587 HydrophobicContact CB-CG2 3.96Å; C534-I592 VanDerWaalsContact SG-CG2 3.57Å
535	T	98.3	Very high	97.2	Very high	31 Å²	31	28.5 Å²	28.5	19%	0.19	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.8	177.5	-59	0	0	0	0	110.1	T487 V488 Y489 R539	T487-T535 WeakPolarHBondContact CG2-OG1 3.49Å; T487-T535 PolarHBondContact OG1-N 2.85Å; T487-T535 PolarHBondContact OG1-OG1 3.37Å; T487-T535 VanDerWaalsContact OG1-OG1 3.06Å; V488-T535 PolarHBondContact O-OG1 3.36Å; Y489-T535 HydrophobicContact CD2-CG2 3.81Å; Y489-T535 HydrophobicContact CG-CG2 4.37Å; T535-R539 WeakPolarHBondContact CA-O 3.49Å
536	V	98.1	Very high	97.2	Very high	16 Å²	16	23.4 Å²	23.4	10%	0.097	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	120.4	166.3	-173.3	0	0	0	0	108.7	E538 R539 Y541 V587 N590 I592 P614	V536-E538 PolarHBondContact O-N 3.15Å; V536-R539 PolarHBondContact N-O 2.86Å; V536-R539 PolarHBondContact O-N 2.82Å; V536-Y541 HydrophobicContact CB-CD2 4.26Å; V536-Y541 HydrophobicContact CB-CE2 3.83Å; V536-Y541 HydrophobicContact CG2-CD2 4.28Å; V536-Y541 HydrophobicContact CG2-CE2 4.28Å; V536-V587 HydrophobicContact CG2-CB 4.49Å; V536-V587 HydrophobicContact CG2-CG1 3.84Å; V536-V587 HydrophobicContact CG2-CG2 3.77Å; V536-N590 HydrophobicContact CG1-CB 4.4Å; V536-I592 HydrophobicContact CG2-CD1 3.83Å; V536-I592 HydrophobicContact CG2-CG1 3.55Å; V536-P614 HydrophobicContact CG1-CG 4.26Å
537	G	96.2	Very high	97.2	Very high	63 Å²	63	23.6 Å²	23.6	65%	0.649	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	-120.7	-171	0	0	0	0	0	111.1	Y489	Y489-G537 WeakPolarHBondContact CE2-O 3.23Å
538	E	96.6	Very high	97	Very high	123 Å²	123	24.2 Å²	24.2	58%	0.575	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	10.7	-178.5	-55.8	-175.2	160	0	0	113.7	Y489 V536 P565	Y489-E538 HydrophobicContact CE2-CB 4.21Å; Y489-E538 HydrophobicContact CE2-CG 4.3Å; Y489-E538 WeakPolarHBondContact OH-CG 3.27Å; V536-E538 PolarHBondContact O-N 3.15Å; E538-P565 WeakPolarHBondContact O-CD 3.41Å
539	R	98.4	Very high	96.3	Very high	103 Å²	103	32.6 Å²	32.6	39%	0.389	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.8	-173	-66.3	174.3	-178.2	168.7	-0.9	110.9	T535 V536 Y541 Y562	T535-R539 WeakPolarHBondContact CA-O 3.49Å; V536-R539 PolarHBondContact N-O 2.86Å; V536-R539 PolarHBondContact O-N 2.82Å; R539-Y541 HydrophobicContact CB-CD2 4.24Å; R539-Y541 HydrophobicContact CB-CE2 3.46Å; R539-Y541 VanDerWaalsContact CB-CE2 3.46Å; R539-Y541 VanDerWaalsContact CD-OH 3.25Å; R539-Y541 WeakPolarHBondContact CD-OH 3.36Å; R539-Y541 WeakPolarHBondContact O-CD2 3.5Å; R539-Y562 HydrophobicContact CB-CD2 3.9Å; R539-Y562 HydrophobicContact CB-CG 4.17Å; R539-Y562 HydrophobicContact CG-CD2 3.65Å; R539-Y562 HydrophobicContact CG-CE2 3.88Å; R539-Y562 HydrophobicContact CG-CG 4.25Å
540	L	98.7	Very high	95.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	107.2	-179.4	-63	74.8	0	0	0	108.3	T487 Y489 Y494 M533 C534 Y562 Y563 P565	T487-L540 HydrophobicContact CG2-CB 4.09Å; T487-L540 HydrophobicContact CG2-CD2 3.69Å; T487-L540 HydrophobicContact CG2-CG 3.86Å; Y489-L540 HydrophobicContact CD1-CD1 4.41Å; Y489-L540 HydrophobicContact CG-CD1 4.29Å; Y494-L540 HydrophobicContact CD1-CD2 4.11Å; Y494-L540 HydrophobicContact CD2-CD2 3.32Å; Y494-L540 HydrophobicContact CE2-CD2 3.83Å; Y494-L540 HydrophobicContact CG-CD2 3.47Å; Y494-L540 VanDerWaalsContact CG-CD2 3.47Å; M533-L540 HydrophobicContact CE-CB 3.66Å; M533-L540 HydrophobicContact CE-CD2 3.85Å; M533-L540 HydrophobicContact CE-CG 4.37Å; C534-L540 CarbonylContact O-C 3.52Å; L540-Y562 CarbonylContact O-C 3.59Å; L540-Y562 VanDerWaalsContact O-CA 3.25Å; L540-Y562 WeakPolarHBondContact O-CA 3.39Å; L540-Y563 HydrophobicContact CD1-CD1 4.2Å; L540-Y563 HydrophobicContact CD2-CD1 4.33Å; L540-Y563 PolarHBondContact N-O 2.86Å; L540-Y563 PolarHBondContact O-N 3.15Å; L540-P565 VanDerWaalsContact CD1-CD 3.47Å; L540-P565 HydrophobicContact CD1-CG 3.15Å; L540-P565 HydrophobicContact CG-CG 4.5Å
541	Y	98.8	Very high	94.3	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	137.3	-173.5	-67.4	-95.8	0	0	0	110.5	M533 C534 V536 R539 Y562 I573 I592 Y612	M533-Y541 WeakPolarHBondContact CA-O 3.5Å; M533-Y541 VanDerWaalsContact CG-O 3.3Å; M533-Y541 WeakPolarHBondContact CG-O 3.45Å; C534-Y541 PolarHBondContact N-O 2.82Å; C534-Y541 VanDerWaalsContact N-O 3.07Å; C534-Y541 PolarHBondContact O-N 2.84Å; V536-Y541 HydrophobicContact CB-CD2 4.26Å; V536-Y541 HydrophobicContact CB-CE2 3.83Å; V536-Y541 HydrophobicContact CG2-CD2 4.28Å; V536-Y541 HydrophobicContact CG2-CE2 4.28Å; R539-Y541 HydrophobicContact CB-CD2 4.24Å; R539-Y541 HydrophobicContact CB-CE2 3.46Å; R539-Y541 VanDerWaalsContact CB-CE2 3.46Å; R539-Y541 VanDerWaalsContact CD-OH 3.25Å; R539-Y541 WeakPolarHBondContact CD-OH 3.36Å; R539-Y541 WeakPolarHBondContact O-CD2 3.5Å; Y541-Y562 HydrophobicContact CE1-CD1 4.13Å; Y541-Y562 HydrophobicContact CE1-CG 4.26Å; Y541-I573 HydrophobicContact CD1-CD1 3.63Å; Y541-I573 HydrophobicContact CE1-CD1 3.92Å; Y541-I592 HydrophobicContact CD1-CD1 3.9Å; Y541-I592 HydrophobicContact CD2-CD1 3.74Å; Y541-I592 HydrophobicContact CE1-CD1 4.49Å; Y541-I592 HydrophobicContact CE2-CD1 4.35Å; Y541-I592 HydrophobicContact CG-CD1 3.5Å; Y541-I592 VanDerWaalsContact CG-CD1 3.5Å; Y541-Y612 HydrophobicContact CD1-CE1 4.1Å; Y541-Y612 AromaticContact CE1-CE1 3.68Å; Y541-Y612 HydrophobicContact CE1-CE1 3.68Å
542	V	98.4	Very high	93.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.2	170.7	165.7	0	0	0	0	109.5	M524 M533 E561 W570	M524-V542 HydrophobicContact SD-CB 4.19Å; M524-V542 HydrophobicContact SD-CG1 3.65Å; M524-V542 HydrophobicContact SD-CG2 4Å; M533-V542 HydrophobicContact CB-CG2 4.22Å; M533-V542 HydrophobicContact CE-CG2 4.23Å; M533-V542 HydrophobicContact CG-CG2 3.8Å; M533-V542 HydrophobicContact SD-CG2 4.04Å; V542-E561 HydrophobicContact CB-CG 4.43Å; V542-E561 PolarHBondContact N-O 3.16Å; V542-E561 PolarHBondContact O-N 3.19Å; V542-W570 HydrophobicContact CB-CH2 4.17Å; V542-W570 HydrophobicContact CB-CZ3 3.89Å; V542-W570 HydrophobicContact CG2-CH2 3.43Å; V542-W570 VanDerWaalsContact CG2-CH2 3.43Å; V542-W570 HydrophobicContact CG2-CZ3 3.63Å
543	I	98	Very high	92.7	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	134.1	-164.8	-60.8	168.9	0	0	0	109.7	H531 C532 C560 M576 I592 V594 W619	H531-I543 WeakPolarHBondContact CB-O 3.49Å; C532-I543 PolarHBondContact N-O 2.87Å; C532-I543 PolarHBondContact O-N 2.93Å; I543-C560 HydrophobicContact CG1-CB 4.5Å; I543-M576 HydrophobicContact CG2-CE 3.82Å; I543-M576 HydrophobicContact CG2-CG 4.03Å; I543-M576 HydrophobicContact CG2-SD 3.48Å; I543-M576 WeakPolarHBondContact CG2-SD 3.41Å; I543-I592 HydrophobicContact CD1-CB 4.47Å; I543-I592 HydrophobicContact CD1-CD1 4Å; I543-I592 HydrophobicContact CD1-CG2 3.73Å; I543-V594 HydrophobicContact CG2-CG2 3.87Å; I543-W619 HydrophobicContact CD1-CH2 4.01Å; I543-W619 HydrophobicContact CD1-CZ2 4.25Å; I543-W619 HydrophobicContact CG1-CH2 4.45Å; I543-W619 HydrophobicContact CG1-CZ2 4.37Å; I543-W619 HydrophobicContact CG2-CH2 3.64Å; I543-W619 HydrophobicContact CG2-CZ2 3.92Å
544	G	96.7	Very high	92.3	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.01	29%	0.294	C	S	.	.			trans	68.5	-150.8	171	0	0	0	0	0	114.3	R528 H531 V557 M576	R528-G544 PolarHBondContact NH1-O 2.75Å; H531-G544 VanDerWaalsContact CB-O 3.22Å; H531-G544 WeakPolarHBondContact CB-O 3.33Å; G544-V557 WeakPolarHBondContact CA-O 3.2Å; G544-M576 WeakPolarHBondContact CA-SD 3.48Å; G544-M576 PolarHBondContact N-SD 3.02Å
545	G	96.7	Very high	92.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.299	C	S	.	.			trans	87.7	-166.3	-172.9	0	0	0	0	0	113.1	G529 V557 Q580 S581	G529-G545 CarbonylContact O-C 3.43Å; G529-G545 WeakPolarHBondContact O-CA 3.3Å; G545-V557 PolarHBondContact O-N 3.11Å; G545-Q580 PolarHBondContact N-O 3.26Å; G545-S581 WeakPolarHBondContact CA-OG 3.48Å; G545-S581 PolarHBondContact O-OG 3Å
546	N	95.6	Very high	92	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	163.1	-178.6	66.5	-18.8	0	0	0	112.2	F504 R528 G529 Y554 D555 S581 W600	F504-N546 WeakPolarHBondContact CD1-O 3.02Å; F504-N546 WeakPolarHBondContact CE1-O 3.45Å; R528-N546 WeakPolarHBondContact CA-O 3.13Å; G529-N546 PolarHBondContact N-O 3.08Å; G529-N546 PolarHBondContact O-N 3.29Å; G529-N546 PolarHBondContact O-OD1 3.19Å; N546-Y554 WeakPolarHBondContact ND2-CD1 3.34Å; N546-D555 VanDerWaalsContact CA-O 3.23Å; N546-D555 WeakPolarHBondContact CA-O 3.41Å; N546-D555 WeakPolarHBondContact CB-O 3.48Å; N546-S581 PolarHBondContact N-OG 2.96Å; N546-W600 VanDerWaalsContact CB-CD1 3.48Å; N546-W600 HydrophobicContact CB-CG 4.17Å; N546-W600 WeakPolarHBondContact ND2-CZ2 3.44Å; N546-W600 PolarHBondContact ND2-NE1 3.11Å
547	H	94.5	Very high	91.9	Very high	37 Å²	37	52.5 Å²	52.5	17%	0.171	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	-175.5	164.7	61.4	55.8	0	0	0	109.8	F504 V527 Y554 D555 V557	F504-H547 HydrophobicContact CD2-CB 4.27Å; F504-H547 HydrophobicContact CE2-CB 4.5Å; F504-H547 HydrophobicContact CG-CB 4.26Å; V527-H547 HydrophobicContact CG2-CB 4.1Å; V527-H547 PolarHBondContact O-CD2 2.81Å; H547-Y554 WeakPolarHBondContact O-CA 3.14Å; H547-D555 PolarHBondContact N-O 3.37Å; H547-D555 VanDerWaalsContact N-O 3.12Å; H547-D555 PolarHBondContact O-N 2.88Å; H547-V557 WeakPolarHBondContact CD2-CG2 3.36Å
548	F	91.4	Very high	91.9	Very high	69 Å²	69	52.9 Å²	52.9	30%	0.303	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.3	169.2	-64.3	-51.5	0	0	0	111.6	F504 D553 Y554	F504-F548 AromaticContact CD2-CD2 3.77Å; F504-F548 HydrophobicContact CD2-CD2 3.77Å; F504-F548 AromaticContact CD2-CE2 3.96Å; F504-F548 HydrophobicContact CD2-CE2 3.96Å; F504-F548 HydrophobicContact CD2-CG 4.3Å; F504-F548 HydrophobicContact CE2-CD1 4.08Å; F504-F548 AromaticContact CE2-CD2 3.57Å; F504-F548 HydrophobicContact CE2-CD2 3.57Å; F504-F548 HydrophobicContact CE2-CE1 4.09Å; F504-F548 AromaticContact CE2-CE2 3.58Å; F504-F548 HydrophobicContact CE2-CE2 3.58Å; F504-F548 AromaticContact CE2-CG 3.82Å; F504-F548 HydrophobicContact CE2-CG 3.82Å; F504-F548 AromaticContact CE2-CZ 3.84Å; F504-F548 HydrophobicContact CE2-CZ 3.84Å; F548-D553 CarbonylContact C-O 3.51Å; F548-D553 WeakPolarHBondContact CA-O 3.12Å; F548-Y554 HydrophobicContact CD1-CD1 4.18Å; F548-Y554 HydrophobicContact CD1-CE1 4.28Å; F548-Y554 HydrophobicContact CD1-CG 4.43Å; F548-Y554 AromaticContact CE1-CD1 3.91Å; F548-Y554 HydrophobicContact CE1-CD1 3.91Å; F548-Y554 HydrophobicContact CE1-CD2 4.24Å; F548-Y554 AromaticContact CE1-CE1 3.58Å; F548-Y554 HydrophobicContact CE1-CE1 3.58Å; F548-Y554 AromaticContact CE1-CE2 3.9Å; F548-Y554 HydrophobicContact CE1-CE2 3.9Å; F548-Y554 HydrophobicContact CE1-CG 4.26Å; F548-Y554 AromaticContact CE1-CZ 3.56Å; F548-Y554 HydrophobicContact CZ-CE1 4.16Å
549	R	82.7	Confident	91.9	Very high	176 Å²	176	49.5 Å²	49.5	66%	0.664	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	115.1	159.5	179.7	175.2	-179.2	179.9	1.1	107.7	D553 D555	R549-D553 PolarHBondContact N-O 2.87Å; R549-D555 HydrophobicContact CB-CB 3.79Å
550	G	78.9	Confident	91.9	Very high	73 Å²	73	44.7 Å²	44.7	75%	0.753	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.8	-132.5	-171.1	0	0	0	0	0	111.4
551	T	71.9	Confident	91.9	Very high	138 Å²	138	45 Å²	45	85%	0.847	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-20	-171.3	49	0	0	0	0	115.4
552	S	75.5	Confident	91.9	Very high	74 Å²	74	46.6 Å²	46.6	52%	0.517	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.1	-9.6	-172.6	55.8	0	0	0	0	116.8
553	D	85.3	Confident	91.9	Very high	103 Å²	103	46.6 Å²	46.6	55%	0.551	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	120	-177.7	-72.1	-30.8	0	0	0	109.9	F548 R549	F548-D553 CarbonylContact C-O 3.51Å; F548-D553 WeakPolarHBondContact CA-O 3.12Å; R549-D553 PolarHBondContact N-O 2.87Å
554	Y	89.8	Confident	91.9	Very high	96 Å²	96	47.5 Å²	47.5	38%	0.376	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	136.4	175.6	-70.2	-83.6	0	0	0	111.1	F504 N546 H547 F548 W600	F504-Y554 HydrophobicContact CE2-CE1 4.32Å; F504-Y554 HydrophobicContact CZ-CD1 4.12Å; F504-Y554 AromaticContact CZ-CE1 3.83Å; F504-Y554 HydrophobicContact CZ-CE1 3.83Å; N546-Y554 WeakPolarHBondContact ND2-CD1 3.34Å; H547-Y554 WeakPolarHBondContact O-CA 3.14Å; F548-Y554 HydrophobicContact CD1-CD1 4.18Å; F548-Y554 HydrophobicContact CD1-CE1 4.28Å; F548-Y554 HydrophobicContact CD1-CG 4.43Å; F548-Y554 AromaticContact CE1-CD1 3.91Å; F548-Y554 HydrophobicContact CE1-CD1 3.91Å; F548-Y554 HydrophobicContact CE1-CD2 4.24Å; F548-Y554 AromaticContact CE1-CE1 3.58Å; F548-Y554 HydrophobicContact CE1-CE1 3.58Å; F548-Y554 AromaticContact CE1-CE2 3.9Å; F548-Y554 HydrophobicContact CE1-CE2 3.9Å; F548-Y554 HydrophobicContact CE1-CG 4.26Å; F548-Y554 AromaticContact CE1-CZ 3.56Å; F548-Y554 HydrophobicContact CZ-CE1 4.16Å; Y554-W600 HydrophobicContact CD1-CD2 4.41Å; Y554-W600 HydrophobicContact CD1-CE3 4.28Å; Y554-W600 HydrophobicContact CD1-CH2 4.21Å; Y554-W600 HydrophobicContact CD1-CZ2 4.39Å; Y554-W600 HydrophobicContact CD1-CZ3 4.17Å; Y554-W600 AromaticContact CD2-CE3 3.83Å; Y554-W600 HydrophobicContact CD2-CE3 3.83Å; Y554-W600 HydrophobicContact CD2-CH2 4.07Å; Y554-W600 AromaticContact CD2-CZ3 3.44Å; Y554-W600 HydrophobicContact CD2-CZ3 3.44Å; Y554-W600 VanDerWaalsContact CD2-CZ3 3.44Å; Y554-W600 HydrophobicContact CE1-CH2 4.31Å; Y554-W600 HydrophobicContact CE2-CH2 4.22Å; Y554-W600 AromaticContact CE2-CZ3 3.96Å; Y554-W600 HydrophobicContact CE2-CZ3 3.96Å; Y554-W600 HydrophobicContact CG-CD2 4.03Å; Y554-W600 AromaticContact CG-CE3 3.55Å; Y554-W600 HydrophobicContact CG-CE3 3.55Å; Y554-W600 HydrophobicContact CG-CH2 4.05Å; Y554-W600 AromaticContact CG-CZ3 3.55Å; Y554-W600 HydrophobicContact CG-CZ3 3.55Å
555	D	93.8	Very high	91.9	Very high	31 Å²	31	48.5 Å²	48.5	17%	0.166	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.7	178.3	-168.7	17.2	0	0	0	110	N546 H547 R549 N601	N546-D555 VanDerWaalsContact CA-O 3.23Å; N546-D555 WeakPolarHBondContact CA-O 3.41Å; N546-D555 WeakPolarHBondContact CB-O 3.48Å; H547-D555 PolarHBondContact N-O 3.37Å; H547-D555 VanDerWaalsContact N-O 3.12Å; H547-D555 PolarHBondContact O-N 2.88Å; R549-D555 HydrophobicContact CB-CB 3.79Å; D555-N601 PolarHBondContact OD1-ND2 2.9Å; D555-N601 PolarHBondContact OD1-OD1 2.93Å
556	D	95.3	Very high	92	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.043	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	132.8	-179.9	-73.9	-43.8	0	0	0	110.6	L558 S599 W600 N601	D556-L558 PolarHBondContact O-N 3.25Å; D556-S599 PolarHBondContact OD2-OG 3.46Å; D556-W600 VanDerWaalsContact CG-N 3.33Å; D556-W600 WeakPolarHBondContact OD1-CB 3.24Å; D556-W600 PolarHBondContact OD1-N 2.87Å; D556-W600 PolarHBondContact OD2-N 2.91Å; D556-W600 VanDerWaalsContact OD2-N 3.12Å; D556-N601 WeakPolarHBondContact OD2-CB 3.23Å; D556-N601 PolarHBondContact OD2-N 2.98Å
557	V	96.6	Very high	92.1	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.024	33%	0.328	C	S	.	.			trans	-89.3	103.1	174.6	-169.4	0	0	0	0	110.1	T526 R528 G544 G545 H547 S559	T526-V557 HydrophobicContact CG2-CG1 4.02Å; R528-V557 HydrophobicContact CB-CG2 4.28Å; G544-V557 WeakPolarHBondContact CA-O 3.2Å; G545-V557 PolarHBondContact O-N 3.11Å; H547-V557 WeakPolarHBondContact CD2-CG2 3.36Å; V557-S559 WeakPolarHBondContact CG1-OG 3.23Å
558	L	96.2	Very high	92.3	Very high	70 Å²	70	61.6 Å²	61.6	37%	0.366	34%	0.337	S	S	.	.			trans	-82.9	-28.4	177.4	-57.4	-178.2	0	0	0	113.1	D556 C560 A575 M576 G579	D556-L558 PolarHBondContact O-N 3.25Å; L558-C560 PolarHBondContact O-N 2.87Å; L558-C560 PolarHBondContact O-SG 2.84Å; L558-A575 HydrophobicContact CB-CB 4.32Å; L558-A575 CarbonylContact O-C 3.57Å; L558-A575 VanDerWaalsContact O-CA 3.28Å; L558-A575 WeakPolarHBondContact O-CA 3.34Å; L558-A575 WeakPolarHBondContact O-CB 3.19Å; L558-M576 HydrophobicContact CD2-CB 4.46Å; L558-M576 PolarHBondContact O-N 2.81Å; L558-G579 VanDerWaalsContact CD2-CA 3.46Å
559	S	97	Very high	92.6	Very high	52 Å²	52	63.7 Å²	63.7	36%	0.364	35%	0.348	S	S	.	.			trans	-65.9	129.4	-179.1	55.5	0	0	0	0	110.6	R528 V557	R528-S559 PolarHBondContact NH1-O 2.88Å; R528-S559 PolarHBondContact NH2-O 3.4Å; V557-S559 WeakPolarHBondContact CG1-OG 3.23Å
560	C	98	Very high	93.3	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.02	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	152	177.3	-64.1	0	0	0	0	109.1	I543 L558 I573 M576	I543-C560 HydrophobicContact CG1-CB 4.5Å; L558-C560 PolarHBondContact O-N 2.87Å; L558-C560 PolarHBondContact O-SG 2.84Å; C560-I573 VanDerWaalsContact C-CG1 3.45Å; C560-I573 HydrophobicContact CB-CD1 3.76Å; C560-I573 HydrophobicContact CB-CG1 3.52Å; C560-I573 WeakPolarHBondContact O-CG1 3.47Å; C560-I573 PolarHBondContact O-N 2.87Å; C560-M576 WeakPolarHBondContact SG-CG 3.48Å
561	E	98.3	Very high	94.3	Very high	5 Å²	5	55 Å²	55	2%	0.023	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	150.4	-179.9	51.6	-165.1	124.5	0	0	109.1	T525 R528 V542 W570 T571	T525-E561 PolarHBondContact N-OE2 2.95Å; T525-E561 PolarHBondContact OG1-OE2 3.12Å; T525-E561 VanDerWaalsContact OG1-OE2 3.07Å; R528-E561 IonicContact CZ-OE1 3.86Å; R528-E561 IonicContact NH2-OE1 3.59Å; R528-E561 PolarHBondContact NH2-OE1 2.94Å; V542-E561 HydrophobicContact CB-CG 4.43Å; V542-E561 PolarHBondContact N-O 3.16Å; V542-E561 PolarHBondContact O-N 3.19Å; E561-W570 HydrophobicContact CB-CE3 3.93Å; E561-W570 HydrophobicContact CG-CD2 4.35Å; E561-W570 HydrophobicContact CG-CE3 3.51Å; E561-W570 HydrophobicContact CG-CZ3 3.9Å; E561-T571 CarbonylContact C-O 3.55Å; E561-T571 VanDerWaalsContact CA-O 3.25Å; E561-T571 WeakPolarHBondContact CA-O 3.48Å
562	Y	98.5	Very high	95.5	Very high	37 Å²	37	53.4 Å²	53.4	15%	0.145	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	147.4	165.8	73.8	-99.1	0	0	0	110.8	R539 L540 Y541 W570 T571 I573	R539-Y562 HydrophobicContact CB-CD2 3.9Å; R539-Y562 HydrophobicContact CB-CG 4.17Å; R539-Y562 HydrophobicContact CG-CD2 3.65Å; R539-Y562 HydrophobicContact CG-CE2 3.88Å; R539-Y562 HydrophobicContact CG-CG 4.25Å; L540-Y562 CarbonylContact O-C 3.59Å; L540-Y562 VanDerWaalsContact O-CA 3.25Å; L540-Y562 WeakPolarHBondContact O-CA 3.39Å; Y541-Y562 HydrophobicContact CE1-CD1 4.13Å; Y541-Y562 HydrophobicContact CE1-CG 4.26Å; Y562-W570 VanDerWaalsContact C-CE3 3.48Å; Y562-W570 CarbonylContact O-C 3.54Å; Y562-W570 WeakPolarHBondContact O-CA 3.41Å; Y562-T571 HydrophobicContact CE1-CG2 3.79Å; Y562-T571 VanDerWaalsContact CZ-CB 3.5Å; Y562-T571 PolarHBondContact N-O 2.85Å; Y562-T571 PolarHBondContact O-N 3.24Å; Y562-I573 HydrophobicContact CD1-CG2 3.46Å; Y562-I573 VanDerWaalsContact CD1-CG2 3.46Å; Y562-I573 HydrophobicContact CE1-CG2 3.78Å
563	Y	98.8	Very high	96.6	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.6	173.5	175.5	-104.8	0	0	0	110.4	Y494 L508 A522 L540 P565 D568 Q569 W570	Y494-Y563 HydrophobicContact CD1-CE1 4.31Å; Y494-Y563 AromaticContact CE1-CE1 3.93Å; Y494-Y563 HydrophobicContact CE1-CE1 3.93Å; L508-Y563 HydrophobicContact CD2-CD1 3.78Å; L508-Y563 HydrophobicContact CD2-CD2 3.71Å; L508-Y563 HydrophobicContact CD2-CE1 3.71Å; L508-Y563 HydrophobicContact CD2-CE2 3.63Å; L508-Y563 HydrophobicContact CD2-CG 3.78Å; A522-Y563 HydrophobicContact CB-CE2 4.42Å; L540-Y563 HydrophobicContact CD1-CD1 4.2Å; L540-Y563 HydrophobicContact CD2-CD1 4.33Å; L540-Y563 PolarHBondContact N-O 2.86Å; L540-Y563 PolarHBondContact O-N 3.15Å; Y563-P565 HydrophobicContact CD1-CG 4.08Å; Y563-P565 VanDerWaalsContact CE1-CA 3.46Å; Y563-P565 HydrophobicContact CE1-CB 4.06Å; Y563-P565 HydrophobicContact CE1-CG 3.95Å; Y563-D568 WeakPolarHBondContact CE2-OD1 3.42Å; Y563-D568 WeakPolarHBondContact OH-CA 3.44Å; Y563-D568 PolarHBondContact OH-OD1 2.67Å; Y563-Q569 WeakPolarHBondContact CA-O 3.48Å; Y563-W570 AromaticContact CD2-CD1 3.97Å; Y563-W570 HydrophobicContact CD2-CD2 4.14Å; Y563-W570 AromaticContact CD2-CE2 3.79Å; Y563-W570 HydrophobicContact CD2-CG 4.27Å; Y563-W570 HydrophobicContact CD2-CZ2 4.27Å; Y563-W570 AromaticContact CD2-NE1 3.65Å; Y563-W570 HydrophobicContact CG-CD2 4.4Å; Y563-W570 HydrophobicContact CG-CZ2 4.19Å
564	S	98.3	Very high	97.2	Very high	20 Å²	20	47.4 Å²	47.4	14%	0.14	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	111.9	169.2	177.9	0	0	0	0	109.5	I566 L567 D568 Q569	S564-I566 PolarHBondContact O-N 3.17Å; S564-L567 PolarHBondContact O-N 2.93Å; S564-D568 WeakPolarHBondContact O-CA 3.24Å; S564-D568 PolarHBondContact O-N 3.02Å; S564-Q569 PolarHBondContact N-O 2.79Å
565	P	97.9	Very high	97.6	Very high	22 Å²	22	45.4 Å²	45.4	14%	0.143	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.5	179	-26.1	37.1	0	0	0	114.2	Y489 E538 L540 Y563	Y489-P565 HydrophobicContact CD1-CB 4.13Å; Y489-P565 HydrophobicContact CD1-CG 3.61Å; Y489-P565 HydrophobicContact CE1-CB 4.11Å; Y489-P565 HydrophobicContact CE1-CG 3.81Å; Y489-P565 HydrophobicContact CG-CG 4.49Å; E538-P565 WeakPolarHBondContact O-CD 3.41Å; L540-P565 VanDerWaalsContact CD1-CD 3.47Å; L540-P565 HydrophobicContact CD1-CG 3.15Å; L540-P565 HydrophobicContact CG-CG 4.5Å; Y563-P565 HydrophobicContact CD1-CG 4.08Å; Y563-P565 VanDerWaalsContact CE1-CA 3.46Å; Y563-P565 HydrophobicContact CE1-CB 4.06Å; Y563-P565 HydrophobicContact CE1-CG 3.95Å
566	I	97.1	Very high	97.7	Very high	127 Å²	127	44.3 Å²	44.3	65%	0.651	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-41.2	179.6	-64.7	171.5	0	0	0	110.4	S564	S564-I566 PolarHBondContact O-N 3.17Å
567	L	97.9	Very high	97.6	Very high	119 Å²	119	49 Å²	49	62%	0.623	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-12.2	-176.2	-59.4	177.2	0	0	0	113.5	S564 Q569	S564-L567 PolarHBondContact O-N 2.93Å; L567-Q569 VanDerWaalsContact C-N 3.27Å; L567-Q569 HydrophobicContact CB-CB 4.16Å; L567-Q569 PolarHBondContact O-N 2.89Å
568	D	98.3	Very high	97.4	Very high	66 Å²	66	52.1 Å²	52.1	35%	0.353	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	48.6	-171	-162.8	10.9	0	0	0	111.6	A522 Y563 S564	A522-D568 WeakPolarHBondContact CB-O 3.39Å; A522-D568 VanDerWaalsContact CB-OD1 3.26Å; A522-D568 WeakPolarHBondContact CB-OD1 3.3Å; A522-D568 PolarHBondContact N-OD1 2.82Å; Y563-D568 WeakPolarHBondContact CE2-OD1 3.42Å; Y563-D568 WeakPolarHBondContact OH-CA 3.44Å; Y563-D568 PolarHBondContact OH-OD1 2.67Å; S564-D568 WeakPolarHBondContact O-CA 3.24Å; S564-D568 PolarHBondContact O-N 3.02Å
569	Q	98.3	Very high	97.1	Very high	114 Å²	114	49 Å²	49	53%	0.533	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	142.1	-172.8	-172.8	177.7	11.6	0	0	112.1	Y563 S564 L567	Y563-Q569 WeakPolarHBondContact CA-O 3.48Å; S564-Q569 PolarHBondContact N-O 2.79Å; L567-Q569 VanDerWaalsContact C-N 3.27Å; L567-Q569 HydrophobicContact CB-CB 4.16Å; L567-Q569 PolarHBondContact O-N 2.89Å
570	W	98.6	Very high	97	Very high	20 Å²	20	46.5 Å²	46.5	8%	0.076	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.3	170.4	-67.1	91	0	0	0	111.8	L508 A522 P523 M524 M533 V542 E561 Y562 Y563	L508-W570 HydrophobicContact CB-CZ2 4.33Å; L508-W570 HydrophobicContact CD1-CZ2 4.14Å; L508-W570 HydrophobicContact CD2-CZ2 3.8Å; L508-W570 HydrophobicContact CG-CZ2 4.31Å; A522-W570 PolarHBondContact O-NE1 2.8Å; P523-W570 PolarHBondContact O-NE1 3Å; M524-W570 HydrophobicContact CG-CD2 4.11Å; M524-W570 HydrophobicContact CG-CE3 4.38Å; M524-W570 HydrophobicContact CG-CH2 3.71Å; M524-W570 HydrophobicContact CG-CZ2 3.36Å; M524-W570 HydrophobicContact CG-CZ3 4.2Å; M524-W570 HydrophobicContact SD-CH2 4.23Å; M524-W570 HydrophobicContact SD-CZ2 4.37Å; M533-W570 HydrophobicContact CE-CH2 4.26Å; V542-W570 HydrophobicContact CB-CH2 4.17Å; V542-W570 HydrophobicContact CB-CZ3 3.89Å; V542-W570 HydrophobicContact CG2-CH2 3.43Å; V542-W570 VanDerWaalsContact CG2-CH2 3.43Å; V542-W570 HydrophobicContact CG2-CZ3 3.63Å; E561-W570 HydrophobicContact CB-CE3 3.93Å; E561-W570 HydrophobicContact CG-CD2 4.35Å; E561-W570 HydrophobicContact CG-CE3 3.51Å; E561-W570 HydrophobicContact CG-CZ3 3.9Å; Y562-W570 VanDerWaalsContact C-CE3 3.48Å; Y562-W570 CarbonylContact O-C 3.54Å; Y562-W570 WeakPolarHBondContact O-CA 3.41Å; Y563-W570 AromaticContact CD2-CD1 3.97Å; Y563-W570 HydrophobicContact CD2-CD2 4.14Å; Y563-W570 AromaticContact CD2-CE2 3.79Å; Y563-W570 HydrophobicContact CD2-CG 4.27Å; Y563-W570 HydrophobicContact CD2-CZ2 4.27Å; Y563-W570 AromaticContact CD2-NE1 3.65Å; Y563-W570 HydrophobicContact CG-CD2 4.4Å; Y563-W570 HydrophobicContact CG-CZ2 4.19Å
571	T	98.4	Very high	96.8	Very high	47 Å²	47	46.4 Å²	46.4	29%	0.288	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.6	176	-56.2	0	0	0	0	109.2	E561 Y562	E561-T571 CarbonylContact C-O 3.55Å; E561-T571 VanDerWaalsContact CA-O 3.25Å; E561-T571 WeakPolarHBondContact CA-O 3.48Å; Y562-T571 HydrophobicContact CE1-CG2 3.79Å; Y562-T571 VanDerWaalsContact CZ-CB 3.5Å; Y562-T571 PolarHBondContact N-O 2.85Å; Y562-T571 PolarHBondContact O-N 3.24Å
572	P	98.3	Very high	96.4	Very high	103 Å²	103	47.1 Å²	47.1	67%	0.669	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	149.5	174.5	28.7	-35.1	0	0	0	111.2
573	I	98.4	Very high	96.2	Very high	23 Å²	23	45.8 Å²	45.8	12%	0.118	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	177.4	176.9	57.1	174.3	0	0	0	110.1	Y541 C560 Y562 A575 Y612 D617	Y541-I573 HydrophobicContact CD1-CD1 3.63Å; Y541-I573 HydrophobicContact CE1-CD1 3.92Å; C560-I573 VanDerWaalsContact C-CG1 3.45Å; C560-I573 HydrophobicContact CB-CD1 3.76Å; C560-I573 HydrophobicContact CB-CG1 3.52Å; C560-I573 WeakPolarHBondContact O-CG1 3.47Å; C560-I573 PolarHBondContact O-N 2.87Å; Y562-I573 HydrophobicContact CD1-CG2 3.46Å; Y562-I573 VanDerWaalsContact CD1-CG2 3.46Å; Y562-I573 HydrophobicContact CE1-CG2 3.78Å; I573-A575 PolarHBondContact O-N 3.24Å; I573-Y612 HydrophobicContact CD1-CE1 4Å; I573-Y612 HydrophobicContact CD1-CE2 4.26Å; I573-D617 VanDerWaalsContact CB-OD1 3.31Å; I573-D617 WeakPolarHBondContact CB-OD1 3.21Å
574	A	98.3	Very high	96	Very high	28 Å²	28	45.8 Å²	45.8	23%	0.231	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-51.8	134.7	177.4	0	0	0	0	0	112.3	Y612 D617 W619	A574-Y612 HydrophobicContact CB-CE2 4.39Å; A574-D617 WeakPolarHBondContact CB-O 3.24Å; A574-D617 WeakPolarHBondContact CB-OD1 3.26Å; A574-D617 PolarHBondContact N-OD1 3.21Å; A574-D617 PolarHBondContact N-OD2 3.33Å; A574-W619 PolarHBondContact O-NE1 3.03Å
575	A	97.6	Very high	96	Very high	55 Å²	55	46.4 Å²	46.4	46%	0.455	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-72.7	150.3	179.1	0	0	0	0	0	111.4	L558 I573	L558-A575 HydrophobicContact CB-CB 4.32Å; L558-A575 CarbonylContact O-C 3.57Å; L558-A575 VanDerWaalsContact O-CA 3.28Å; L558-A575 WeakPolarHBondContact O-CA 3.34Å; L558-A575 WeakPolarHBondContact O-CB 3.19Å; I573-A575 PolarHBondContact O-N 3.24Å
576	M	96.2	Very high	96	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.039	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-59.8	149.2	176.1	-58.3	-178.3	73.7	0	0	111.2	I543 G544 L558 C560 R578 Q580 V594 W619	I543-M576 HydrophobicContact CG2-CE 3.82Å; I543-M576 HydrophobicContact CG2-CG 4.03Å; I543-M576 HydrophobicContact CG2-SD 3.48Å; I543-M576 WeakPolarHBondContact CG2-SD 3.41Å; G544-M576 WeakPolarHBondContact CA-SD 3.48Å; G544-M576 PolarHBondContact N-SD 3.02Å; L558-M576 HydrophobicContact CD2-CB 4.46Å; L558-M576 PolarHBondContact O-N 2.81Å; C560-M576 WeakPolarHBondContact SG-CG 3.48Å; M576-R578 VanDerWaalsContact C-N 3.29Å; M576-R578 PolarHBondContact O-N 3.15Å; M576-Q580 HydrophobicContact CE-CB 4.23Å; M576-Q580 HydrophobicContact CE-CG 4.29Å; M576-V594 HydrophobicContact CE-CB 4.37Å; M576-V594 HydrophobicContact CE-CG1 3.99Å; M576-V594 HydrophobicContact CE-CG2 4.34Å; M576-W619 HydrophobicContact CE-CH2 4.43Å; M576-W619 HydrophobicContact CG-CH2 4.21Å; M576-W619 HydrophobicContact CG-CZ2 3.85Å
577	L	93.8	Very high	96	Very high	105 Å²	105	41.6 Å²	41.6	55%	0.55	23%	0.233	S	C	.	.	S	Bend	trans	-69.1	-33.1	175.1	-51.5	172.7	0	0	0	111.4	Q610 W619	L577-Q610 VanDerWaalsContact CB-OE1 3.23Å; L577-W619 HydrophobicContact CD1-CB 4.19Å; L577-W619 HydrophobicContact CD2-CB 3.99Å; L577-W619 HydrophobicContact CG-CB 3.74Å
578	R	91.2	Very high	95.8	Very high	71 Å²	71	36.5 Å²	36.5	27%	0.268	21%	0.206	S	C	.	.	S	Bend	trans	-142.9	142.8	178.4	-168.2	169.4	-179.9	-177.6	-4.5	110.8	M576 N602 V606 Q610	M576-R578 VanDerWaalsContact C-N 3.29Å; M576-R578 PolarHBondContact O-N 3.15Å; R578-N602 PolarHBondContact NH2-ND2 2.83Å; R578-N602 VanDerWaalsContact NH2-ND2 3.13Å; R578-V606 VanDerWaalsContact CZ-CG1 3.48Å; R578-V606 VanDerWaalsContact NH2-CG1 3.33Å; R578-Q610 PolarHBondContact O-NE2 2.94Å
579	G	90.4	Very high	95.5	Very high	3 Å²	3	40 Å²	40	3%	0.031	22%	0.22	C	C	.	.			trans	-65.9	129.6	175.8	0	0	0	0	0	112	L558 S599	L558-G579 VanDerWaalsContact CD2-CA 3.46Å; G579-S599 WeakPolarHBondContact O-CB 3.29Å
580	Q	93.6	Very high	95.4	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.224	C	C	.	.			trans	-139.2	125.3	175.5	-56.3	178.1	-82.5	0	0	110.1	G545 M576 V583 V594 G596 V606 I608 Q610	G545-Q580 PolarHBondContact N-O 3.26Å; M576-Q580 HydrophobicContact CE-CB 4.23Å; M576-Q580 HydrophobicContact CE-CG 4.29Å; Q580-V583 HydrophobicContact CB-CG1 3.28Å; Q580-V583 HydrophobicContact CG-CG1 4.39Å; Q580-V594 HydrophobicContact CB-CG1 4.44Å; Q580-G596 PolarHBondContact NE2-O 3.14Å; Q580-V606 HydrophobicContact CG-CG2 4.06Å; Q580-I608 HydrophobicContact CG-CG2 4.49Å; Q580-I608 VanDerWaalsContact NE2-CG2 3.32Å; Q580-I608 PolarHBondContact NE2-O 2.82Å; Q580-I608 VanDerWaalsContact NE2-O 3.13Å; Q580-Q610 VanDerWaalsContact CD-NE2 3.34Å
581	S	93.9	Very high	95.3	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-112	157.1	168	-66.1	0	0	0	0	110.7	L530 G545 N546 V583 G597 Y598 W600	L530-S581 WeakPolarHBondContact O-CA 3.37Å; G545-S581 WeakPolarHBondContact CA-OG 3.48Å; G545-S581 PolarHBondContact O-OG 3Å; N546-S581 PolarHBondContact N-OG 2.96Å; S581-V583 VanDerWaalsContact C-N 3.32Å; S581-V583 PolarHBondContact O-N 3.37Å; S581-G597 CarbonylContact O-C 3.58Å; S581-G597 VanDerWaalsContact O-CA 3.24Å; S581-G597 WeakPolarHBondContact O-CA 3.13Å; S581-Y598 PolarHBondContact N-O 3.06Å; S581-Y598 PolarHBondContact O-N 2.92Å; S581-W600 VanDerWaalsContact OG-CD1 3.28Å; S581-W600 PolarHBondContact OG-NE1 2.81Å; S581-W600 VanDerWaalsContact OG-NE1 3.11Å
582	D	91	Very high	95.3	Very high	19 Å²	19	38.2 Å²	38.2	10%	0.102	21%	0.213	C	C	.	.	S	Bend	trans	52.8	50	177.9	-158.1	13.8	0	0	0	112.4	Q384 L530 G631 R633	Q384-D582 VanDerWaalsContact CG-OD2 3.29Å; Q384-D582 WeakPolarHBondContact CG-OD2 3.4Å; Q384-D582 PolarHBondContact NE2-OD2 2.96Å; L530-D582 PolarHBondContact O-N 3.37Å; D582-G631 VanDerWaalsContact O-CA 3.27Å; D582-G631 WeakPolarHBondContact O-CA 3.48Å; D582-G631 PolarHBondContact O-N 2.97Å; D582-G631 WeakPolarHBondContact OD1-CA 3.37Å; D582-G631 WeakPolarHBondContact OD2-CA 3.2Å; D582-G631 PolarHBondContact OD2-N 3.5Å; D582-R633 IonicContact OD1-CZ 2.75Å; D582-R633 IonicContact OD1-NH1 2.66Å; D582-R633 PolarHBondContact OD1-NH1 3.18Å; D582-R633 IonicContact OD1-NH2 3.11Å; D582-R633 PolarHBondContact OD1-NH2 3.23Å
583	V	94.1	Very high	95.3	Very high	9 Å²	9	34 Å²	34	6%	0.055	18%	0.184	C	C	.	.			trans	-91.3	162.5	-173.8	-61	0	0	0	0	112.6	C532 Q580 S581 V594 I632 R633	C532-V583 HydrophobicContact CB-CG2 3.61Å; Q580-V583 HydrophobicContact CB-CG1 3.28Å; Q580-V583 HydrophobicContact CG-CG1 4.39Å; S581-V583 VanDerWaalsContact C-N 3.32Å; S581-V583 PolarHBondContact O-N 3.37Å; V583-V594 HydrophobicContact CB-CG1 3.75Å; V583-V594 HydrophobicContact CG1-CG1 3.71Å; V583-V594 HydrophobicContact CG2-CG1 3.82Å; V583-I632 CarbonylContact C-O 3.58Å; V583-I632 VanDerWaalsContact C-O 3.24Å; V583-R633 PolarHBondContact O-NH1 3.01Å
584	G	95.5	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	138.1	155	0	0	0	0	0	110	V594 V595 I632	G584-V594 WeakPolarHBondContact O-CA 3.29Å; G584-V595 PolarHBondContact N-O 2.92Å; G584-V595 PolarHBondContact O-N 3.18Å; G584-I632 WeakPolarHBondContact CA-O 3.38Å; G584-I632 PolarHBondContact N-O 2.94Å; G584-I632 VanDerWaalsContact N-O 3.11Å
585	V	97.1	Very high	95.1	Very high	33 Å²	33	31.6 Å²	31.6	20%	0.2	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.9	172.7	64.8	0	0	0	0	110.2	C532 C534 I592 Y593	C532-V585 HydrophobicContact CB-CB 3.88Å; C532-V585 HydrophobicContact CB-CG1 3.77Å; C532-V585 HydrophobicContact CB-CG2 4.48Å; C534-V585 HydrophobicContact CB-CG2 4.1Å; V585-I592 HydrophobicContact CG2-CG2 3.82Å; V585-Y593 WeakPolarHBondContact CA-O 3.33Å
586	A	97.5	Very high	94.9	Very high	4 Å²	4	29 Å²	29	3%	0.033	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.5	175.2	0	0	0	0	0	110.3	L345 Y593 A634 T636	L345-A586 HydrophobicContact CD1-CB 3.36Å; A586-Y593 PolarHBondContact N-O 3.09Å; A586-Y593 PolarHBondContact O-N 3.05Å; A586-A634 HydrophobicContact CB-CB 4.13Å; A586-T636 HydrophobicContact CB-CG2 4.38Å
587	V	97.1	Very high	94.8	Very high	44 Å²	44	28.6 Å²	28.6	27%	0.267	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.4	171.1	178.2	0	0	0	0	107.5	C534 V536 K591 T636	C534-V587 HydrophobicContact CB-CG2 3.96Å; V536-V587 HydrophobicContact CG2-CB 4.49Å; V536-V587 HydrophobicContact CG2-CG1 3.84Å; V536-V587 HydrophobicContact CG2-CG2 3.77Å; V587-K591 WeakPolarHBondContact CA-O 3.47Å; V587-T636 WeakPolarHBondContact O-CG2 3.26Å
588	F	95	Very high	94.7	Very high	12 Å²	12	24.7 Å²	24.7	5%	0.053	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	126.8	-177.8	-177.9	-99.6	0	0	0	109	T343 E367 N590 K591 Y593 T636	T343-F588 HydrophobicContact CG2-CD2 4.37Å; T343-F588 HydrophobicContact CG2-CE2 4.18Å; T343-F588 VanDerWaalsContact O-CE2 3.23Å; T343-F588 WeakPolarHBondContact O-CE2 3.38Å; E367-F588 WeakPolarHBondContact OE1-CE1 3.47Å; E367-F588 WeakPolarHBondContact OE1-CZ 3.47Å; F588-N590 VanDerWaalsContact C-N 3.26Å; F588-N590 PolarHBondContact O-N 3.32Å; F588-K591 PolarHBondContact N-O 3.29Å; F588-K591 PolarHBondContact O-N 3.46Å; F588-Y593 HydrophobicContact CB-CD2 3.92Å; F588-Y593 HydrophobicContact CB-CE2 3.81Å; F588-Y593 HydrophobicContact CD1-CE2 4.08Å; F588-Y593 HydrophobicContact CG-CE2 4.45Å; F588-T636 HydrophobicContact CB-CG2 3.86Å; F588-T636 HydrophobicContact CD2-CG2 3.77Å; F588-T636 HydrophobicContact CG-CG2 4.29Å
589	E	91.9	Very high	94.8	Very high	139 Å²	139	21.4 Å²	21.4	65%	0.65	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	43.8	-175.2	-62.4	-172.3	156.4	0	0	113.9	K591	E589-K591 PolarHBondContact O-N 3.38Å; E589-K591 VanDerWaalsContact O-N 3.17Å
590	N	94.8	Very high	94.9	Very high	114 Å²	114	23.7 Å²	23.7	61%	0.61	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	17.5	-176	-61.4	-15.3	0	0	0	115.1	V536 F588 P614	V536-N590 HydrophobicContact CG1-CB 4.4Å; F588-N590 VanDerWaalsContact C-N 3.26Å; F588-N590 PolarHBondContact O-N 3.32Å; N590-P614 WeakPolarHBondContact O-CD 3.46Å
591	K	97.6	Very high	94.7	Very high	30 Å²	30	27.8 Å²	27.8	13%	0.13	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	150.4	172.6	-50.6	-61.5	163	-162.9	0	109.6	V587 F588 E589 Y593 K611 D613 D615	V587-K591 WeakPolarHBondContact CA-O 3.47Å; F588-K591 PolarHBondContact N-O 3.29Å; F588-K591 PolarHBondContact O-N 3.46Å; E589-K591 PolarHBondContact O-N 3.38Å; E589-K591 VanDerWaalsContact O-N 3.17Å; K591-Y593 HydrophobicContact CB-CE2 3.93Å; K591-K611 HydrophobicContact CB-CD 3.99Å; K591-K611 HydrophobicContact CB-CG 3.85Å; K591-K611 HydrophobicContact CG-CD 4.27Å; K591-D613 HydrophobicContact CD-CB 3.97Å; K591-D613 WeakPolarHBondContact CE-OD2 3.49Å; K591-D613 IonicContact NZ-OD1 3.24Å; K591-D613 PolarHBondContact NZ-OD1 3.13Å; K591-D613 IonicContact NZ-OD2 3.96Å; K591-D613 PolarHBondContact NZ-OD2 2.87Å; K591-D613 VanDerWaalsContact NZ-OD2 3.11Å; K591-D615 IonicContact NZ-OD2 3.91Å; K591-D615 PolarHBondContact NZ-OD2 3.21Å
592	I	98.4	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123	-178.4	-54.3	171.4	0	0	0	108.4	C534 V536 Y541 I543 V585 K611 Y612	C534-I592 VanDerWaalsContact SG-CG2 3.57Å; V536-I592 HydrophobicContact CG2-CD1 3.83Å; V536-I592 HydrophobicContact CG2-CG1 3.55Å; Y541-I592 HydrophobicContact CD1-CD1 3.9Å; Y541-I592 HydrophobicContact CD2-CD1 3.74Å; Y541-I592 HydrophobicContact CE1-CD1 4.49Å; Y541-I592 HydrophobicContact CE2-CD1 4.35Å; Y541-I592 HydrophobicContact CG-CD1 3.5Å; Y541-I592 VanDerWaalsContact CG-CD1 3.5Å; I543-I592 HydrophobicContact CD1-CB 4.47Å; I543-I592 HydrophobicContact CD1-CD1 4Å; I543-I592 HydrophobicContact CD1-CG2 3.73Å; V585-I592 HydrophobicContact CG2-CG2 3.82Å; I592-K611 CarbonylContact O-C 3.57Å; I592-K611 VanDerWaalsContact O-CA 3.27Å; I592-K611 WeakPolarHBondContact O-CA 3.2Å; I592-Y612 HydrophobicContact CD1-CD1 3.97Å; I592-Y612 PolarHBondContact N-O 3.04Å; I592-Y612 PolarHBondContact O-N 3.38Å
593	Y	97.8	Very high	94.3	Very high	15 Å²	15	40.6 Å²	40.6	6%	0.059	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.5	176.5	-70.8	-106.8	0	0	0	109.4	L345 V585 A586 F588 K591 V609 Q610 K611 V622 F623	L345-Y593 HydrophobicContact CD2-CD1 4.32Å; V585-Y593 WeakPolarHBondContact CA-O 3.33Å; A586-Y593 PolarHBondContact N-O 3.09Å; A586-Y593 PolarHBondContact O-N 3.05Å; F588-Y593 HydrophobicContact CB-CD2 3.92Å; F588-Y593 HydrophobicContact CB-CE2 3.81Å; F588-Y593 HydrophobicContact CD1-CE2 4.08Å; F588-Y593 HydrophobicContact CG-CE2 4.45Å; K591-Y593 HydrophobicContact CB-CE2 3.93Å; Y593-V609 HydrophobicContact CD1-CG1 3.95Å; Y593-Q610 CarbonylContact C-O 3.59Å; Y593-Q610 WeakPolarHBondContact CA-O 3.27Å; Y593-K611 HydrophobicContact CD1-CB 4.27Å; Y593-K611 HydrophobicContact CD2-CG 4.42Å; Y593-K611 HydrophobicContact CE1-CB 4.14Å; Y593-K611 HydrophobicContact CE1-CD 3.99Å; Y593-K611 HydrophobicContact CE1-CG 4.16Å; Y593-K611 HydrophobicContact CE2-CD 3.99Å; Y593-K611 HydrophobicContact CE2-CG 4.02Å; Y593-K611 WeakPolarHBondContact OH-CD 3.5Å; Y593-V622 HydrophobicContact CE1-CG2 4.33Å; Y593-F623 HydrophobicContact CE1-CE1 4.5Å; Y593-F623 HydrophobicContact CE1-CZ 4.33Å
594	V	97.3	Very high	94	Very high	1 Å²	1	42 Å²	42	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.2	173.6	-174.4	0	0	0	0	108.4	I543 M576 Q580 V583 G584 V609 Q610 W619	I543-V594 HydrophobicContact CG2-CG2 3.87Å; M576-V594 HydrophobicContact CE-CB 4.37Å; M576-V594 HydrophobicContact CE-CG1 3.99Å; M576-V594 HydrophobicContact CE-CG2 4.34Å; Q580-V594 HydrophobicContact CB-CG1 4.44Å; V583-V594 HydrophobicContact CB-CG1 3.75Å; V583-V594 HydrophobicContact CG1-CG1 3.71Å; V583-V594 HydrophobicContact CG2-CG1 3.82Å; G584-V594 WeakPolarHBondContact O-CA 3.29Å; V594-V609 WeakPolarHBondContact O-CA 3.17Å; V594-Q610 PolarHBondContact N-O 3.45Å; V594-Q610 PolarHBondContact O-N 3.12Å; V594-W619 HydrophobicContact CG2-CH2 3.8Å; V594-W619 HydrophobicContact CG2-CZ3 3.9Å
595	V	95.3	Very high	93.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.4	-163.5	-179.9	0	0	0	0	110	L345 T347 G584 V609 L625 I632 A634	L345-V595 HydrophobicContact CD2-CG2 4.28Å; T347-V595 HydrophobicContact CG2-CG1 3.74Å; G584-V595 PolarHBondContact N-O 2.92Å; G584-V595 PolarHBondContact O-N 3.18Å; V595-V609 HydrophobicContact CB-CG2 4.48Å; V595-V609 HydrophobicContact CG1-CG2 4.1Å; V595-V609 HydrophobicContact CG2-CG1 3.96Å; V595-V609 HydrophobicContact CG2-CG2 4.27Å; V595-L625 HydrophobicContact CG1-CD1 3.72Å; V595-L625 HydrophobicContact CG1-CD2 3.68Å; V595-L625 HydrophobicContact CG1-CG 3.9Å; V595-I632 HydrophobicContact CG1-CD1 4.42Å; V595-I632 VanDerWaalsContact O-CG2 3.23Å; V595-I632 WeakPolarHBondContact O-CG2 3.46Å; V595-A634 HydrophobicContact CB-CB 4.32Å; V595-A634 HydrophobicContact CG2-CB 4.13Å
596	G	93.8	Very high	93.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.201	C	C	.	.			trans	65.9	-143	171.6	0	0	0	0	0	114.5	Q580 V606 I608	Q580-G596 PolarHBondContact NE2-O 3.14Å; G596-V606 CarbonylContact C-O 3.57Å; G596-V606 WeakPolarHBondContact CA-O 3.45Å; G596-V606 WeakPolarHBondContact O-CG2 3.28Å; G596-I608 PolarHBondContact N-O 3.01Å; G596-I608 VanDerWaalsContact N-O 3.16Å
597	G	93.6	Very high	93.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.214	C	C	.	.			trans	95.2	-162.8	177.1	0	0	0	0	0	114	S581 M605 V606 L629	S581-G597 CarbonylContact O-C 3.58Å; S581-G597 VanDerWaalsContact O-CA 3.24Å; S581-G597 WeakPolarHBondContact O-CA 3.13Å; G597-M605 WeakPolarHBondContact O-CA 3.37Å; G597-V606 PolarHBondContact O-N 3.1Å; G597-L629 PolarHBondContact N-O 3.43Å
598	Y	92.4	Very high	93	Very high	23 Å²	23	43.3 Å²	43.3	9%	0.09	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134	-176.2	-171.2	-102.8	0	0	0	110.8	R353 S581 W600 R603 C604 M605	R353-Y598 PolarHBondContact NH1-OH 2.91Å; R353-Y598 VanDerWaalsContact NH1-OH 3.08Å; S581-Y598 PolarHBondContact N-O 3.06Å; S581-Y598 PolarHBondContact O-N 2.92Å; Y598-W600 AromaticContact CD1-CD2 3.76Å; Y598-W600 HydrophobicContact CD1-CD2 3.76Å; Y598-W600 AromaticContact CD1-CE2 3.76Å; Y598-W600 HydrophobicContact CD1-CE3 4.25Å; Y598-W600 AromaticContact CD1-CG 4Å; Y598-W600 HydrophobicContact CD1-CG 4Å; Y598-W600 HydrophobicContact CD1-CZ2 4.3Å; Y598-W600 AromaticContact CD1-NE1 3.92Å; Y598-W600 AromaticContact CE1-CD2 3.66Å; Y598-W600 HydrophobicContact CE1-CD2 3.66Å; Y598-W600 AromaticContact CE1-CE3 3.69Å; Y598-W600 HydrophobicContact CE1-CE3 3.69Å; Y598-W600 HydrophobicContact CE1-CG 4.1Å; Y598-W600 HydrophobicContact CE1-CZ2 4.48Å; Y598-W600 HydrophobicContact CE1-CZ3 4.16Å; Y598-R603 VanDerWaalsContact CZ-C 3.43Å; Y598-R603 WeakPolarHBondContact OH-CA 3.23Å; Y598-R603 PolarHBondContact OH-O 3.25Å; Y598-C604 VanDerWaalsContact CD2-C 3.43Å; Y598-C604 VanDerWaalsContact CD2-O 3.28Å; Y598-C604 WeakPolarHBondContact CD2-O 3.32Å; Y598-M605 HydrophobicContact CD2-CE 3.83Å; Y598-M605 HydrophobicContact CD2-CG 4.31Å; Y598-M605 HydrophobicContact CD2-SD 3.57Å; Y598-M605 VanDerWaalsContact CD2-SD 3.57Å; Y598-M605 HydrophobicContact CG-SD 4.22Å
599	S	93.3	Very high	92.9	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121	167.5	170.2	0	0	0	0	108.9	D556 G579 N602 R603 C604	D556-S599 PolarHBondContact OD2-OG 3.46Å; G579-S599 WeakPolarHBondContact O-CB 3.29Å; S599-N602 PolarHBondContact OG-N 2.79Å; S599-R603 VanDerWaalsContact O-CA 3.25Å; S599-R603 WeakPolarHBondContact O-CA 3.31Å; S599-R603 PolarHBondContact O-N 3.42Å; S599-C604 PolarHBondContact N-O 3.34Å; S599-C604 PolarHBondContact O-N 2.85Å
600	W	91.2	Very high	93.2	Very high	51 Å²	51	36.1 Å²	36.1	19%	0.193	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-36.2	178	-70.4	93.4	0	0	0	112.2	L530 N546 Y554 D556 S581 Y598 N602 R603	L530-W600 HydrophobicContact CD1-CZ2 4.32Å; N546-W600 VanDerWaalsContact CB-CD1 3.48Å; N546-W600 HydrophobicContact CB-CG 4.17Å; N546-W600 WeakPolarHBondContact ND2-CZ2 3.44Å; N546-W600 PolarHBondContact ND2-NE1 3.11Å; Y554-W600 HydrophobicContact CD1-CD2 4.41Å; Y554-W600 HydrophobicContact CD1-CE3 4.28Å; Y554-W600 HydrophobicContact CD1-CH2 4.21Å; Y554-W600 HydrophobicContact CD1-CZ2 4.39Å; Y554-W600 HydrophobicContact CD1-CZ3 4.17Å; Y554-W600 AromaticContact CD2-CE3 3.83Å; Y554-W600 HydrophobicContact CD2-CE3 3.83Å; Y554-W600 HydrophobicContact CD2-CH2 4.07Å; Y554-W600 AromaticContact CD2-CZ3 3.44Å; Y554-W600 HydrophobicContact CD2-CZ3 3.44Å; Y554-W600 VanDerWaalsContact CD2-CZ3 3.44Å; Y554-W600 HydrophobicContact CE1-CH2 4.31Å; Y554-W600 HydrophobicContact CE2-CH2 4.22Å; Y554-W600 AromaticContact CE2-CZ3 3.96Å; Y554-W600 HydrophobicContact CE2-CZ3 3.96Å; Y554-W600 HydrophobicContact CG-CD2 4.03Å; Y554-W600 AromaticContact CG-CE3 3.55Å; Y554-W600 HydrophobicContact CG-CE3 3.55Å; Y554-W600 HydrophobicContact CG-CH2 4.05Å; Y554-W600 AromaticContact CG-CZ3 3.55Å; Y554-W600 HydrophobicContact CG-CZ3 3.55Å; D556-W600 VanDerWaalsContact CG-N 3.33Å; D556-W600 WeakPolarHBondContact OD1-CB 3.24Å; D556-W600 PolarHBondContact OD1-N 2.87Å; D556-W600 PolarHBondContact OD2-N 2.91Å; D556-W600 VanDerWaalsContact OD2-N 3.12Å; S581-W600 VanDerWaalsContact OG-CD1 3.28Å; S581-W600 PolarHBondContact OG-NE1 2.81Å; S581-W600 VanDerWaalsContact OG-NE1 3.11Å; Y598-W600 AromaticContact CD1-CD2 3.76Å; Y598-W600 HydrophobicContact CD1-CD2 3.76Å; Y598-W600 AromaticContact CD1-CE2 3.76Å; Y598-W600 HydrophobicContact CD1-CE3 4.25Å; Y598-W600 AromaticContact CD1-CG 4Å; Y598-W600 HydrophobicContact CD1-CG 4Å; Y598-W600 HydrophobicContact CD1-CZ2 4.3Å; Y598-W600 AromaticContact CD1-NE1 3.92Å; Y598-W600 AromaticContact CE1-CD2 3.66Å; Y598-W600 HydrophobicContact CE1-CD2 3.66Å; Y598-W600 AromaticContact CE1-CE3 3.69Å; Y598-W600 HydrophobicContact CE1-CE3 3.69Å; Y598-W600 HydrophobicContact CE1-CG 4.1Å; Y598-W600 HydrophobicContact CE1-CZ2 4.48Å; Y598-W600 HydrophobicContact CE1-CZ3 4.16Å; W600-N602 PolarHBondContact O-N 2.81Å; W600-R603 WeakPolarHBondContact O-CG 3.26Å; W600-R603 PolarHBondContact O-N 3.05Å
601	N	90.3	Very high	93.3	Very high	87 Å²	87	33.3 Å²	33.3	47%	0.465	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-39.7	178.7	-73.8	-16.4	0	0	0	111.8	D555 D556	D555-N601 PolarHBondContact OD1-ND2 2.9Å; D555-N601 PolarHBondContact OD1-OD1 2.93Å; D556-N601 WeakPolarHBondContact OD2-CB 3.23Å; D556-N601 PolarHBondContact OD2-N 2.98Å
602	N	88.1	Confident	93.3	Very high	97 Å²	97	32 Å²	32	52%	0.519	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-6.1	177.4	-63.1	-7.3	0	0	0	113.1	R578 S599 W600 C604	R578-N602 PolarHBondContact NH2-ND2 2.83Å; R578-N602 VanDerWaalsContact NH2-ND2 3.13Å; S599-N602 PolarHBondContact OG-N 2.79Å; W600-N602 PolarHBondContact O-N 2.81Å; N602-C604 PolarHBondContact O-N 3.03Å; N602-C604 VanDerWaalsContact O-N 3.15Å
603	R	88.3	Confident	93.3	Very high	191 Å²	191	32.9 Å²	32.9	72%	0.721	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	30.4	-178.6	-58.3	-178.3	178	-175.2	-2	114.4	Y598 S599 W600	Y598-R603 VanDerWaalsContact CZ-C 3.43Å; Y598-R603 WeakPolarHBondContact OH-CA 3.23Å; Y598-R603 PolarHBondContact OH-O 3.25Å; S599-R603 VanDerWaalsContact O-CA 3.25Å; S599-R603 WeakPolarHBondContact O-CA 3.31Å; S599-R603 PolarHBondContact O-N 3.42Å; W600-R603 WeakPolarHBondContact O-CG 3.26Å; W600-R603 PolarHBondContact O-N 3.05Å
604	C	88.6	Confident	93.3	Very high	39 Å²	39	32.9 Å²	32.9	26%	0.264	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.5	-176.3	66.3	0	0	0	0	112.8	Y598 S599 N602	Y598-C604 VanDerWaalsContact CD2-C 3.43Å; Y598-C604 VanDerWaalsContact CD2-O 3.28Å; Y598-C604 WeakPolarHBondContact CD2-O 3.32Å; S599-C604 PolarHBondContact N-O 3.34Å; S599-C604 PolarHBondContact O-N 2.85Å; N602-C604 PolarHBondContact O-N 3.03Å; N602-C604 VanDerWaalsContact O-N 3.15Å
605	M	90	Very high	93.3	Very high	31 Å²	31	39.3 Å²	39.3	15%	0.153	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	147.7	164.1	-64.3	-58.3	176	0	0	109	V351 R353 G597 Y598 S628 G630	V351-M605 HydrophobicContact CG1-CE 4.28Å; R353-M605 HydrophobicContact CB-CE 3.55Å; R353-M605 HydrophobicContact CB-CG 4.15Å; R353-M605 HydrophobicContact CG-CE 4.3Å; G597-M605 WeakPolarHBondContact O-CA 3.37Å; Y598-M605 HydrophobicContact CD2-CE 3.83Å; Y598-M605 HydrophobicContact CD2-CG 4.31Å; Y598-M605 HydrophobicContact CD2-SD 3.57Å; Y598-M605 VanDerWaalsContact CD2-SD 3.57Å; Y598-M605 HydrophobicContact CG-SD 4.22Å; M605-S628 VanDerWaalsContact CB-O 3.26Å; M605-S628 WeakPolarHBondContact CB-O 3.45Å; M605-G630 WeakPolarHBondContact SD-CA 3.4Å; M605-G630 PolarHBondContact SD-N 3.08Å
606	V	90.7	Very high	93.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.216	C	C	.	.			trans	-123.7	142.5	-180	-59.1	0	0	0	0	110.2	R578 Q580 G596 G597 I608	R578-V606 VanDerWaalsContact CZ-CG1 3.48Å; R578-V606 VanDerWaalsContact NH2-CG1 3.33Å; Q580-V606 HydrophobicContact CG-CG2 4.06Å; G596-V606 CarbonylContact C-O 3.57Å; G596-V606 WeakPolarHBondContact CA-O 3.45Å; G596-V606 WeakPolarHBondContact O-CG2 3.28Å; G597-V606 PolarHBondContact O-N 3.1Å; V606-I608 HydrophobicContact CB-CG2 4.04Å; V606-I608 HydrophobicContact CG2-CG2 3.86Å
607	E	91.3	Very high	93.6	Very high	63 Å²	63	48.8 Å²	48.8	29%	0.294	23%	0.233	S	C	.	.			trans	-92.5	-10.3	176.8	61.3	-75.7	170.9	0	0	112.5	V609 D624 L625 S628	E607-V609 PolarHBondContact O-N 2.72Å; E607-D624 HydrophobicContact CB-CB 4.35Å; E607-D624 HydrophobicContact CG-CB 3.86Å; E607-D624 CarbonylContact O-C 3.53Å; E607-D624 WeakPolarHBondContact O-CA 3.29Å; E607-L625 HydrophobicContact CB-CB 4.16Å; E607-L625 PolarHBondContact O-N 2.89Å; E607-S628 WeakPolarHBondContact OE2-CB 3.26Å; E607-S628 PolarHBondContact OE2-OG 2.72Å
608	I	92.7	Very high	93.8	Very high	15 Å²	15	53.2 Å²	53.2	8%	0.077	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	135.8	-172.2	-168.7	174.6	0	0	0	112.6	Q580 G596 V606 Q610 K621	Q580-I608 HydrophobicContact CG-CG2 4.49Å; Q580-I608 VanDerWaalsContact NE2-CG2 3.32Å; Q580-I608 PolarHBondContact NE2-O 2.82Å; Q580-I608 VanDerWaalsContact NE2-O 3.13Å; G596-I608 PolarHBondContact N-O 3.01Å; G596-I608 VanDerWaalsContact N-O 3.16Å; V606-I608 HydrophobicContact CB-CG2 4.04Å; V606-I608 HydrophobicContact CG2-CG2 3.86Å; I608-Q610 HydrophobicContact CD1-CG 3.85Å; I608-Q610 HydrophobicContact CG1-CG 4.01Å; I608-K621 HydrophobicContact CD1-CB 4.43Å; I608-K621 HydrophobicContact CD1-CD 4.07Å; I608-K621 HydrophobicContact CD1-CG 4.1Å; I608-K621 HydrophobicContact CG1-CD 4.17Å; I608-K621 HydrophobicContact CG1-CG 4.02Å
609	V	94.8	Very high	94.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118	163.6	-175.5	0	0	0	0	109.6	Y593 V594 V595 E607 V622 F623 L625	Y593-V609 HydrophobicContact CD1-CG1 3.95Å; V594-V609 WeakPolarHBondContact O-CA 3.17Å; V595-V609 HydrophobicContact CB-CG2 4.48Å; V595-V609 HydrophobicContact CG1-CG2 4.1Å; V595-V609 HydrophobicContact CG2-CG1 3.96Å; V595-V609 HydrophobicContact CG2-CG2 4.27Å; E607-V609 PolarHBondContact O-N 2.72Å; V609-V622 PolarHBondContact O-N 2.87Å; V609-F623 HydrophobicContact CB-CD2 3.91Å; V609-F623 HydrophobicContact CB-CE2 3.96Å; V609-F623 WeakPolarHBondContact CB-O 3.34Å; V609-F623 HydrophobicContact CG1-CD2 4.31Å; V609-F623 HydrophobicContact CG1-CE2 3.86Å; V609-F623 HydrophobicContact CG1-CZ 4.31Å; V609-F623 HydrophobicContact CG2-CD2 3.78Å; V609-F623 HydrophobicContact CG2-CE2 3.83Å; V609-F623 WeakPolarHBondContact CG2-O 3.45Å; V609-F623 PolarHBondContact N-O 3.31Å; V609-L625 HydrophobicContact CG2-CG 4.34Å
610	Q	96.2	Very high	94.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.9	176.1	-62	-173.7	77	0	0	109.7	L577 R578 Q580 Y593 V594 I608 W619 H620	L577-Q610 VanDerWaalsContact CB-OE1 3.23Å; R578-Q610 PolarHBondContact O-NE2 2.94Å; Q580-Q610 VanDerWaalsContact CD-NE2 3.34Å; Y593-Q610 CarbonylContact C-O 3.59Å; Y593-Q610 WeakPolarHBondContact CA-O 3.27Å; V594-Q610 PolarHBondContact N-O 3.45Å; V594-Q610 PolarHBondContact O-N 3.12Å; I608-Q610 HydrophobicContact CD1-CG 3.85Å; I608-Q610 HydrophobicContact CG1-CG 4.01Å; Q610-W619 HydrophobicContact CB-CE3 3.82Å; Q610-W619 HydrophobicContact CB-CZ3 3.86Å; Q610-H620 CarbonylContact C-O 3.5Å; Q610-H620 WeakPolarHBondContact CA-O 3.25Å
611	K	97.3	Very high	94.4	Very high	55 Å²	55	59.7 Å²	59.7	24%	0.239	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126	175	178.9	-175.6	75.1	177	0	110	K591 I592 Y593 W619 H620 V622	K591-K611 HydrophobicContact CB-CD 3.99Å; K591-K611 HydrophobicContact CB-CG 3.85Å; K591-K611 HydrophobicContact CG-CD 4.27Å; I592-K611 CarbonylContact O-C 3.57Å; I592-K611 VanDerWaalsContact O-CA 3.27Å; I592-K611 WeakPolarHBondContact O-CA 3.2Å; Y593-K611 HydrophobicContact CD1-CB 4.27Å; Y593-K611 HydrophobicContact CD2-CG 4.42Å; Y593-K611 HydrophobicContact CE1-CB 4.14Å; Y593-K611 HydrophobicContact CE1-CD 3.99Å; Y593-K611 HydrophobicContact CE1-CG 4.16Å; Y593-K611 HydrophobicContact CE2-CD 3.99Å; Y593-K611 HydrophobicContact CE2-CG 4.02Å; Y593-K611 WeakPolarHBondContact OH-CD 3.5Å; K611-W619 CarbonylContact O-C 3.55Å; K611-W619 WeakPolarHBondContact O-CA 3.4Å; K611-H620 PolarHBondContact N-O 3.24Å; K611-H620 PolarHBondContact O-N 2.87Å; K611-V622 HydrophobicContact CB-CG2 3.3Å; K611-V622 HydrophobicContact CD-CG2 4.27Å; K611-V622 HydrophobicContact CG-CG2 4.39Å
612	Y	98.6	Very high	94.5	Very high	3 Å²	3	58.4 Å²	58.4	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.3	169.7	178.5	-107.5	0	0	0	110.5	Y541 I573 A574 I592 P614 D617 E618 W619	Y541-Y612 HydrophobicContact CD1-CE1 4.1Å; Y541-Y612 AromaticContact CE1-CE1 3.68Å; Y541-Y612 HydrophobicContact CE1-CE1 3.68Å; I573-Y612 HydrophobicContact CD1-CE1 4Å; I573-Y612 HydrophobicContact CD1-CE2 4.26Å; A574-Y612 HydrophobicContact CB-CE2 4.39Å; I592-Y612 HydrophobicContact CD1-CD1 3.97Å; I592-Y612 PolarHBondContact N-O 3.04Å; I592-Y612 PolarHBondContact O-N 3.38Å; Y612-P614 HydrophobicContact CD1-CG 3.92Å; Y612-P614 HydrophobicContact CE1-CB 4.08Å; Y612-P614 HydrophobicContact CE1-CG 3.9Å; Y612-P614 WeakPolarHBondContact O-CD 3.42Å; Y612-D617 VanDerWaalsContact CE2-OD1 3.3Å; Y612-D617 WeakPolarHBondContact CE2-OD1 3.32Å; Y612-D617 PolarHBondContact OH-OD1 2.94Å; Y612-E618 WeakPolarHBondContact CA-O 3.21Å; Y612-W619 AromaticContact CD2-CD1 3.75Å; Y612-W619 AromaticContact CD2-CD2 3.9Å; Y612-W619 HydrophobicContact CD2-CD2 3.9Å; Y612-W619 AromaticContact CD2-CE2 3.55Å; Y612-W619 HydrophobicContact CD2-CG 4.04Å; Y612-W619 HydrophobicContact CD2-CZ2 4.06Å; Y612-W619 AromaticContact CD2-NE1 3.43Å; Y612-W619 AromaticContact CE2-NE1 3.98Å; Y612-W619 HydrophobicContact CG-CD2 4.3Å; Y612-W619 AromaticContact CG-CE2 3.96Å; Y612-W619 HydrophobicContact CG-CH2 4.43Å; Y612-W619 HydrophobicContact CG-CZ2 4.04Å
613	D	98.1	Very high	94.5	Very high	17 Å²	17	55.2 Å²	55.2	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	105.2	173.1	-171.5	-33.9	0	0	0	110.4	K591 D615 K616 D617 E618	K591-D613 HydrophobicContact CD-CB 3.97Å; K591-D613 WeakPolarHBondContact CE-OD2 3.49Å; K591-D613 IonicContact NZ-OD1 3.24Å; K591-D613 PolarHBondContact NZ-OD1 3.13Å; K591-D613 IonicContact NZ-OD2 3.96Å; K591-D613 PolarHBondContact NZ-OD2 2.87Å; K591-D613 VanDerWaalsContact NZ-OD2 3.11Å; D613-D615 PolarHBondContact O-N 2.91Å; D613-D615 WeakPolarHBondContact OD1-CB 3.37Å; D613-D615 PolarHBondContact OD1-N 3.15Å; D613-K616 HydrophobicContact CB-CB 4.27Å; D613-K616 PolarHBondContact O-N 3.28Å; D613-K616 PolarHBondContact OD1-N 3.48Å; D613-D617 WeakPolarHBondContact O-CA 3.35Å; D613-D617 PolarHBondContact O-N 3.49Å; D613-E618 PolarHBondContact N-O 2.63Å; D613-E618 PolarHBondContact O-N 3.26Å
614	P	97.7	Very high	94.7	Very high	15 Å²	15	49.1 Å²	49.1	10%	0.097	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.5	179.4	-26.1	37.2	0	0	0	115.7	V536 N590 Y612	V536-P614 HydrophobicContact CG1-CG 4.26Å; N590-P614 WeakPolarHBondContact O-CD 3.46Å; Y612-P614 HydrophobicContact CD1-CG 3.92Å; Y612-P614 HydrophobicContact CE1-CB 4.08Å; Y612-P614 HydrophobicContact CE1-CG 3.9Å; Y612-P614 WeakPolarHBondContact O-CD 3.42Å
615	D	97.3	Very high	94.8	Very high	136 Å²	136	47.7 Å²	47.7	73%	0.727	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-30.6	-178.7	-58.1	-46.5	0	0	0	111	K591 D613	K591-D615 IonicContact NZ-OD2 3.91Å; K591-D615 PolarHBondContact NZ-OD2 3.21Å; D613-D615 PolarHBondContact O-N 2.91Å; D613-D615 WeakPolarHBondContact OD1-CB 3.37Å; D613-D615 PolarHBondContact OD1-N 3.15Å
616	K	97.7	Very high	94.6	Very high	133 Å²	133	49.8 Å²	49.8	58%	0.578	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-16.5	-179.1	-62.1	-176.7	-178.7	-179.3	0	114	D613 E618	D613-K616 HydrophobicContact CB-CB 4.27Å; D613-K616 PolarHBondContact O-N 3.28Å; D613-K616 PolarHBondContact OD1-N 3.48Å; K616-E618 HydrophobicContact CB-CB 4.25Å; K616-E618 HydrophobicContact CB-CG 4.17Å
617	D	98.1	Very high	94.5	Very high	67 Å²	67	52.8 Å²	52.8	36%	0.358	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	50.3	-169.3	-168	27.6	0	0	0	112.6	I573 A574 Y612 D613	I573-D617 VanDerWaalsContact CB-OD1 3.31Å; I573-D617 WeakPolarHBondContact CB-OD1 3.21Å; A574-D617 WeakPolarHBondContact CB-O 3.24Å; A574-D617 WeakPolarHBondContact CB-OD1 3.26Å; A574-D617 PolarHBondContact N-OD1 3.21Å; A574-D617 PolarHBondContact N-OD2 3.33Å; Y612-D617 VanDerWaalsContact CE2-OD1 3.3Å; Y612-D617 WeakPolarHBondContact CE2-OD1 3.32Å; Y612-D617 PolarHBondContact OH-OD1 2.94Å; D613-D617 WeakPolarHBondContact O-CA 3.35Å; D613-D617 PolarHBondContact O-N 3.49Å
618	E	98	Very high	94.4	Very high	93 Å²	93	51.7 Å²	51.7	44%	0.435	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	143.9	-174.3	-72.5	176.7	169.5	0	0	112.8	Y612 D613 K616 H620	Y612-E618 WeakPolarHBondContact CA-O 3.21Å; D613-E618 PolarHBondContact N-O 2.63Å; D613-E618 PolarHBondContact O-N 3.26Å; K616-E618 HydrophobicContact CB-CB 4.25Å; K616-E618 HydrophobicContact CB-CG 4.17Å; E618-H620 IonicContact OE2-CE1 2.72Å
619	W	98.3	Very high	94.3	Very high	20 Å²	20	51.2 Å²	51.2	8%	0.076	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	141.1	174.4	-72.8	93.6	0	0	0	112.1	I543 A574 M576 L577 V594 Q610 K611 Y612	I543-W619 HydrophobicContact CD1-CH2 4.01Å; I543-W619 HydrophobicContact CD1-CZ2 4.25Å; I543-W619 HydrophobicContact CG1-CH2 4.45Å; I543-W619 HydrophobicContact CG1-CZ2 4.37Å; I543-W619 HydrophobicContact CG2-CH2 3.64Å; I543-W619 HydrophobicContact CG2-CZ2 3.92Å; A574-W619 PolarHBondContact O-NE1 3.03Å; M576-W619 HydrophobicContact CE-CH2 4.43Å; M576-W619 HydrophobicContact CG-CH2 4.21Å; M576-W619 HydrophobicContact CG-CZ2 3.85Å; L577-W619 HydrophobicContact CD1-CB 4.19Å; L577-W619 HydrophobicContact CD2-CB 3.99Å; L577-W619 HydrophobicContact CG-CB 3.74Å; V594-W619 HydrophobicContact CG2-CH2 3.8Å; V594-W619 HydrophobicContact CG2-CZ3 3.9Å; Q610-W619 HydrophobicContact CB-CE3 3.82Å; Q610-W619 HydrophobicContact CB-CZ3 3.86Å; K611-W619 CarbonylContact O-C 3.55Å; K611-W619 WeakPolarHBondContact O-CA 3.4Å; Y612-W619 AromaticContact CD2-CD1 3.75Å; Y612-W619 AromaticContact CD2-CD2 3.9Å; Y612-W619 HydrophobicContact CD2-CD2 3.9Å; Y612-W619 AromaticContact CD2-CE2 3.55Å; Y612-W619 HydrophobicContact CD2-CG 4.04Å; Y612-W619 HydrophobicContact CD2-CZ2 4.06Å; Y612-W619 AromaticContact CD2-NE1 3.43Å; Y612-W619 AromaticContact CE2-NE1 3.98Å; Y612-W619 HydrophobicContact CG-CD2 4.3Å; Y612-W619 AromaticContact CG-CE2 3.96Å; Y612-W619 HydrophobicContact CG-CH2 4.43Å; Y612-W619 HydrophobicContact CG-CZ2 4.04Å
620	H	96.9	Very high	94	Very high	77 Å²	77	51.2 Å²	51.2	36%	0.356	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.4	177.5	-62.1	77	0	0	0	110.1	Q610 K611 E618	Q610-H620 CarbonylContact C-O 3.5Å; Q610-H620 WeakPolarHBondContact CA-O 3.25Å; K611-H620 PolarHBondContact N-O 3.24Å; K611-H620 PolarHBondContact O-N 2.87Å; E618-H620 IonicContact OE2-CE1 2.72Å
621	K	94.6	Very high	93.7	Very high	115 Å²	115	51.2 Å²	51.2	50%	0.5	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	132.6	160	178.6	178	176.4	178.1	0	107.7	I608 D624	I608-K621 HydrophobicContact CD1-CB 4.43Å; I608-K621 HydrophobicContact CD1-CD 4.07Å; I608-K621 HydrophobicContact CD1-CG 4.1Å; I608-K621 HydrophobicContact CG1-CD 4.17Å; I608-K621 HydrophobicContact CG1-CG 4.02Å; K621-D624 WeakPolarHBondContact CE-OD1 3.35Å; K621-D624 WeakPolarHBondContact CE-OD2 3.48Å; K621-D624 VanDerWaalsContact NZ-CG 3.32Å; K621-D624 IonicContact NZ-OD1 3.37Å; K621-D624 PolarHBondContact NZ-OD1 2.98Å; K621-D624 IonicContact NZ-OD2 3.94Å; K621-D624 PolarHBondContact NZ-OD2 2.77Å
622	V	91.3	Very high	93.5	Very high	60 Å²	60	48.8 Å²	48.8	36%	0.364	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-66.3	-178.6	-157.6	0	0	0	0	111.6	Y593 V609 K611	Y593-V622 HydrophobicContact CE1-CG2 4.33Å; V609-V622 PolarHBondContact O-N 2.87Å; K611-V622 HydrophobicContact CB-CG2 3.3Å; K611-V622 HydrophobicContact CD-CG2 4.27Å; K611-V622 HydrophobicContact CG-CG2 4.39Å
623	F	89.2	Confident	93.4	Very high	29 Å²	29	50.5 Å²	50.5	13%	0.127	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	173	179.8	41.4	-102.3	0	0	0	109.4	L345 Y365 W372 Y593 V609	L345-F623 HydrophobicContact CD2-CE2 4.11Å; L345-F623 HydrophobicContact CD2-CZ 3.99Å; Y365-F623 AromaticContact CD1-CE1 3.82Å; Y365-F623 HydrophobicContact CD1-CE1 3.82Å; Y365-F623 HydrophobicContact CD1-CE2 4.4Å; Y365-F623 AromaticContact CD1-CZ 3.7Å; Y365-F623 HydrophobicContact CD1-CZ 3.7Å; Y365-F623 HydrophobicContact CD2-CD2 4.36Å; Y365-F623 HydrophobicContact CD2-CE2 4.08Å; Y365-F623 HydrophobicContact CD2-CZ 4.18Å; Y365-F623 AromaticContact CE1-CD1 3.79Å; Y365-F623 HydrophobicContact CE1-CD1 3.79Å; Y365-F623 AromaticContact CE1-CE1 3.28Å; Y365-F623 HydrophobicContact CE1-CE1 3.28Å; Y365-F623 HydrophobicContact CE1-CE2 4.45Å; Y365-F623 AromaticContact CE1-CZ 3.67Å; Y365-F623 HydrophobicContact CE1-CZ 3.67Å; Y365-F623 AromaticContact CE2-CD1 3.97Å; Y365-F623 HydrophobicContact CE2-CD1 3.97Å; Y365-F623 HydrophobicContact CE2-CD2 4.05Å; Y365-F623 HydrophobicContact CE2-CE1 4.08Å; Y365-F623 HydrophobicContact CE2-CE2 4.13Å; Y365-F623 AromaticContact CE2-CG 3.97Å; Y365-F623 HydrophobicContact CE2-CG 3.97Å; Y365-F623 HydrophobicContact CE2-CZ 4.16Å; Y365-F623 HydrophobicContact CG-CE1 4.41Å; Y365-F623 HydrophobicContact CG-CE2 4.23Å; Y365-F623 AromaticContact CG-CZ 3.96Å; Y365-F623 HydrophobicContact CG-CZ 3.96Å; Y365-F623 AromaticContact CZ-CD1 3.41Å; Y365-F623 VanDerWaalsContact CZ-CD1 3.41Å; Y365-F623 AromaticContact CZ-CE1 3.43Å; Y365-F623 VanDerWaalsContact CZ-CE1 3.43Å; Y365-F623 AromaticContact CZ-CG 3.89Å; Y365-F623 AromaticContact CZ-CZ 3.91Å; Y365-F623 VanDerWaalsContact OH-CD1 3.28Å; Y365-F623 WeakPolarHBondContact OH-CD1 3.49Å; W372-F623 HydrophobicContact CZ2-CD2 4.25Å; W372-F623 AromaticContact CZ2-CE2 3.74Å; W372-F623 HydrophobicContact CZ2-CE2 3.74Å; Y593-F623 HydrophobicContact CE1-CE1 4.5Å; Y593-F623 HydrophobicContact CE1-CZ 4.33Å; V609-F623 HydrophobicContact CB-CD2 3.91Å; V609-F623 HydrophobicContact CB-CE2 3.96Å; V609-F623 WeakPolarHBondContact CB-O 3.34Å; V609-F623 HydrophobicContact CG1-CD2 4.31Å; V609-F623 HydrophobicContact CG1-CE2 3.86Å; V609-F623 HydrophobicContact CG1-CZ 4.31Å; V609-F623 HydrophobicContact CG2-CD2 3.78Å; V609-F623 HydrophobicContact CG2-CE2 3.83Å; V609-F623 WeakPolarHBondContact CG2-O 3.45Å; V609-F623 PolarHBondContact N-O 3.31Å
624	D	91.3	Very high	93.4	Very high	63 Å²	63	50 Å²	50	34%	0.337	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	150	178	-64.9	-38.9	0	0	0	110.1	W372 E607 K621	W372-D624 PolarHBondContact NE1-O 2.84Å; E607-D624 HydrophobicContact CB-CB 4.35Å; E607-D624 HydrophobicContact CG-CB 3.86Å; E607-D624 CarbonylContact O-C 3.53Å; E607-D624 WeakPolarHBondContact O-CA 3.29Å; K621-D624 WeakPolarHBondContact CE-OD1 3.35Å; K621-D624 WeakPolarHBondContact CE-OD2 3.48Å; K621-D624 VanDerWaalsContact NZ-CG 3.32Å; K621-D624 IonicContact NZ-OD1 3.37Å; K621-D624 PolarHBondContact NZ-OD1 2.98Å; K621-D624 IonicContact NZ-OD2 3.94Å; K621-D624 PolarHBondContact NZ-OD2 2.77Å
625	L	90.1	Very high	93.4	Very high	9 Å²	9	50 Å²	50	5%	0.047	25%	0.254	C	S	.	.			trans	-67.2	153.4	166.5	-72.2	171.8	0	0	0	109.8	T347 W372 V595 E607 V609 E627 I632	T347-L625 HydrophobicContact CG2-CD2 4.31Å; W372-L625 HydrophobicContact CH2-CD2 4.14Å; W372-L625 HydrophobicContact CZ2-CD2 3.6Å; V595-L625 HydrophobicContact CG1-CD1 3.72Å; V595-L625 HydrophobicContact CG1-CD2 3.68Å; V595-L625 HydrophobicContact CG1-CG 3.9Å; E607-L625 HydrophobicContact CB-CB 4.16Å; E607-L625 PolarHBondContact O-N 2.89Å; V609-L625 HydrophobicContact CG2-CG 4.34Å; L625-E627 WeakPolarHBondContact CB-O 3.2Å; L625-E627 PolarHBondContact O-N 3.36Å; L625-E627 VanDerWaalsContact O-N 3.17Å; L625-I632 HydrophobicContact CD1-CD1 3.79Å; L625-I632 HydrophobicContact CD2-CD1 4.21Å
626	P	87.3	Confident	93.3	Very high	75 Å²	75	45.7 Å²	45.7	49%	0.487	23%	0.232	S	C	.	.	S	Bend	trans	-61.4	-25.1	173.8	-21.2	33.2	0	0	0	112.9	W372	W372-P626 HydrophobicContact CB-CG 3.91Å; W372-P626 HydrophobicContact CG-CG 3.97Å
627	E	87.8	Confident	93.3	Very high	63 Å²	63	39.4 Å²	39.4	29%	0.294	21%	0.205	S	C	.	.	S	Bend	trans	-141.3	143	-177.8	-70.1	161.2	-135.6	0	0	110.3	L352 R363 L625 L629	L352-E627 WeakPolarHBondContact CD1-OE2 3.37Å; L352-E627 HydrophobicContact CD2-CB 4.34Å; L352-E627 HydrophobicContact CD2-CG 4.44Å; R363-E627 IonicContact CZ-OE1 3.69Å; R363-E627 IonicContact NH1-OE1 3.61Å; R363-E627 IonicContact NH2-OE1 2.82Å; R363-E627 PolarHBondContact NH2-OE1 2.9Å; L625-E627 WeakPolarHBondContact CB-O 3.2Å; L625-E627 PolarHBondContact O-N 3.36Å; L625-E627 VanDerWaalsContact O-N 3.17Å; E627-L629 HydrophobicContact CB-CD1 4.23Å; E627-L629 HydrophobicContact CB-CG 4.07Å; E627-L629 PolarHBondContact O-N 3Å; E627-L629 VanDerWaalsContact O-N 3.1Å
628	S	89.4	Confident	93.2	Very high	41 Å²	41	37.6 Å²	37.6	29%	0.287	20%	0.197	S	C	.	.			trans	-77.1	93	175.6	-38.6	0	0	0	0	110.4	M605 E607	M605-S628 VanDerWaalsContact CB-O 3.26Å; M605-S628 WeakPolarHBondContact CB-O 3.45Å; E607-S628 WeakPolarHBondContact OE2-CB 3.26Å; E607-S628 PolarHBondContact OE2-OG 2.72Å
629	L	90	Very high	92.9	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	18%	0.177	C	C	.	.			trans	-108.9	130.1	-173.8	-69.6	164.2	0	0	0	112	L352 G597 E627 I632	L352-L629 HydrophobicContact CD1-CD2 3.56Å; L352-L629 HydrophobicContact CG-CD2 3.67Å; G597-L629 PolarHBondContact N-O 3.43Å; E627-L629 HydrophobicContact CB-CD1 4.23Å; E627-L629 HydrophobicContact CB-CG 4.07Å; E627-L629 PolarHBondContact O-N 3Å; E627-L629 VanDerWaalsContact O-N 3.1Å; L629-I632 HydrophobicContact CB-CB 4.29Å; L629-I632 HydrophobicContact CB-CD1 4.33Å; L629-I632 HydrophobicContact CD1-CD1 4.09Å
630	G	89.3	Confident	92.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.01	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-94.1	150	168.5	0	0	0	0	0	112.3	G350 V351 M605 I632	G350-G630 CarbonylContact C-O 3.59Å; G350-G630 WeakPolarHBondContact CA-O 3.23Å; V351-G630 PolarHBondContact N-O 2.95Å; V351-G630 PolarHBondContact O-N 3.42Å; V351-G630 VanDerWaalsContact O-N 3.08Å; M605-G630 WeakPolarHBondContact SD-CA 3.4Å; M605-G630 PolarHBondContact SD-N 3.08Å; G630-I632 PolarHBondContact O-N 2.99Å
631	G	90.1	Very high	91.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	64	21.6	-179.6	0	0	0	0	0	114	Q384 D582	Q384-G631 PolarHBondContact N-O 3.28Å; D582-G631 VanDerWaalsContact O-CA 3.27Å; D582-G631 WeakPolarHBondContact O-CA 3.48Å; D582-G631 PolarHBondContact O-N 2.97Å; D582-G631 WeakPolarHBondContact OD1-CA 3.37Å; D582-G631 WeakPolarHBondContact OD2-CA 3.2Å; D582-G631 PolarHBondContact OD2-N 3.5Å
632	I	93.4	Very high	91.1	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.015	18%	0.182	C	C	.	.			trans	-66.3	151.1	168.4	-165.8	169.5	0	0	0	108.9	T347 V583 G584 V595 L625 L629 G630	T347-I632 HydrophobicContact CG2-CD1 4.19Å; V583-I632 CarbonylContact C-O 3.58Å; V583-I632 VanDerWaalsContact C-O 3.24Å; G584-I632 WeakPolarHBondContact CA-O 3.38Å; G584-I632 PolarHBondContact N-O 2.94Å; G584-I632 VanDerWaalsContact N-O 3.11Å; V595-I632 HydrophobicContact CG1-CD1 4.42Å; V595-I632 VanDerWaalsContact O-CG2 3.23Å; V595-I632 WeakPolarHBondContact O-CG2 3.46Å; L625-I632 HydrophobicContact CD1-CD1 3.79Å; L625-I632 HydrophobicContact CD2-CD1 4.21Å; L629-I632 HydrophobicContact CB-CB 4.29Å; L629-I632 HydrophobicContact CB-CD1 4.33Å; L629-I632 HydrophobicContact CD1-CD1 4.09Å; G630-I632 PolarHBondContact O-N 2.99Å
633	R	95.9	Very high	90.1	Very high	39 Å²	39	36 Å²	36	15%	0.147	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	147.8	173.5	-61.9	-62.7	179.9	-118.5	2.9	110.1	T347 L348 H385 I387 D582 V583	T347-R633 CarbonylContact C-O 3.55Å; T347-R633 VanDerWaalsContact CA-O 3.23Å; T347-R633 WeakPolarHBondContact CA-O 3.26Å; L348-R633 PolarHBondContact N-O 2.72Å; L348-R633 PolarHBondContact O-N 2.91Å; L348-R633 VanDerWaalsContact O-N 3.08Å; H385-R633 WeakPolarHBondContact NE2-CG 3.43Å; H385-R633 PolarHBondContact O-NE 2.89Å; I387-R633 HydrophobicContact CB-CB 4.43Å; I387-R633 HydrophobicContact CD1-CB 3.54Å; I387-R633 HydrophobicContact CG1-CB 3.79Å; I387-R633 HydrophobicContact CG1-CG 4.38Å; I387-R633 HydrophobicContact CG2-CB 3.8Å; I387-R633 HydrophobicContact CG2-CG 4.16Å; D582-R633 IonicContact OD1-CZ 2.75Å; D582-R633 IonicContact OD1-NH1 2.66Å; D582-R633 PolarHBondContact OD1-NH1 3.18Å; D582-R633 IonicContact OD1-NH2 3.11Å; D582-R633 PolarHBondContact OD1-NH2 3.23Å; V583-R633 PolarHBondContact O-NH1 3.01Å
634	A	96.9	Very high	88.3	Confident	7 Å²	7	43.3 Å²	43.3	6%	0.058	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.8	-178.3	0	0	0	0	0	111	L345 V346 T347 I387 A586 V595	L345-A634 HydrophobicContact CD1-CB 4.42Å; V346-A634 CarbonylContact O-C 3.5Å; V346-A634 WeakPolarHBondContact O-CA 3.46Å; T347-A634 HydrophobicContact CG2-CB 4.18Å; I387-A634 VanDerWaalsContact CD1-O 3.26Å; I387-A634 WeakPolarHBondContact CD1-O 3.43Å; A586-A634 HydrophobicContact CB-CB 4.13Å; V595-A634 HydrophobicContact CB-CB 4.32Å; V595-A634 HydrophobicContact CG2-CB 4.13Å
635	C	97.6	Very high	85.7	Confident	15 Å²	15	46.1 Å²	46.1	10%	0.101	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	-176.7	173.4	62.5	0	0	0	0	109.7	V346 I387 V389	V346-C635 PolarHBondContact N-O 3.08Å; V346-C635 PolarHBondContact O-N 3.34Å; I387-C635 HydrophobicContact CD1-CB 3.87Å; V389-C635 HydrophobicContact CG2-CB 4.17Å
636	T	97	Very high	82.7	Confident	46 Å²	46	51.7 Å²	51.7	28%	0.282	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136	170.4	53.9	0	0	0	0	110.4	T343 H344 A586 V587 F588	T343-T636 HydrophobicContact CG2-CG2 4.46Å; H344-T636 VanDerWaalsContact O-CA 3.29Å; H344-T636 WeakPolarHBondContact O-CA 3.47Å; A586-T636 HydrophobicContact CB-CG2 4.38Å; V587-T636 WeakPolarHBondContact O-CG2 3.26Å; F588-T636 HydrophobicContact CB-CG2 3.86Å; F588-T636 HydrophobicContact CD2-CG2 3.77Å; F588-T636 HydrophobicContact CG-CG2 4.29Å
637	L	96.8	Very high	80	Confident	1 Å²	1	54 Å²	54	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	144.5	175.4	-67.4	174.3	0	0	0	110.9	H344 V346 V389 L394 F417	H344-L637 PolarHBondContact N-O 3.15Å; H344-L637 PolarHBondContact O-N 2.99Å; V346-L637 HydrophobicContact CB-CD1 4.36Å; V346-L637 HydrophobicContact CG1-CD1 4.17Å; V346-L637 HydrophobicContact CG2-CB 4Å; V346-L637 HydrophobicContact CG2-CD1 4.18Å; V346-L637 HydrophobicContact CG2-CG 4.31Å; V389-L637 HydrophobicContact CB-CD2 4.49Å; V389-L637 HydrophobicContact CG1-CD2 3.8Å; V389-L637 HydrophobicContact CG2-CD2 3.79Å; L394-L637 HydrophobicContact CB-CD1 3.82Å; L394-L637 HydrophobicContact CB-CD2 4.21Å; L394-L637 HydrophobicContact CD2-CD1 4.11Å; F417-L637 HydrophobicContact CD1-CD1 4.34Å
638	T	95.1	Very high	77.2	Confident	29 Å²	29	55.9 Å²	55.9	18%	0.178	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	113.5	162.4	-54.2	0	0	0	0	107.4	I338 S340 T342 T343 N392	I338-T638 HydrophobicContact CB-CG2 4.39Å; I338-T638 WeakPolarHBondContact CD1-O 3.2Å; S340-T638 WeakPolarHBondContact O-CG2 3.43Å; T342-T638 WeakPolarHBondContact O-CG2 3.34Å; T343-T638 PolarHBondContact OG1-OG1 3.14Å; N392-T638 PolarHBondContact ND2-O 2.77Å; N392-T638 PolarHBondContact OD1-N 3.1Å
639	V	92.8	Very high	74.3	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.018	34%	0.342	C	S	.	.			trans	-147.3	146.7	-178.9	61.4	0	0	0	0	108.2	H344 M364 L375 P419	H344-V639 PolarHBondContact CD2-O 3.23Å; M364-V639 HydrophobicContact SD-CG1 4.08Å; L375-V639 HydrophobicContact CD1-CG1 4.21Å; L375-V639 HydrophobicContact CD1-CG2 4.26Å; L375-V639 HydrophobicContact CD2-CG2 4.08Å; P419-V639 HydrophobicContact CB-CB 3.86Å; P419-V639 HydrophobicContact CB-CG2 3.81Å
640	F	87.1	Confident	71.6	Confident	99 Å²	99	64.5 Å²	64.5	43%	0.434	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-71.4	131.6	171.8	-69.2	-61.7	0	0	0	109.3	I338	I338-F640 HydrophobicContact CG2-CD2 3.95Å; I338-F640 HydrophobicContact CG2-CE1 4.02Å; I338-F640 HydrophobicContact CG2-CE2 3.36Å; I338-F640 HydrophobicContact CG2-CZ 3.39Å
641	P	82.9	Confident	69	Low	50 Å²	50	76.1 Å²	76.1	33%	0.325	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-54.2	135.1	167.8	-22.9	32.8	0	0	0	109	M364 E643	M364-P641 HydrophobicContact CE-CB 4.5Å; M364-P641 HydrophobicContact CE-CG 4.33Å; M364-P641 HydrophobicContact SD-CB 4.26Å; M364-P641 HydrophobicContact SD-CG 4.49Å; P641-E643 PolarHBondContact O-N 3.19Å
642	P	81.3	Confident	66.1	Low	43 Å²	43	84.8 Å²	84.8	28%	0.279	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-56.6	131.8	172.6	22.5	-29.8	0	0	0	108.2	K373	K373-P642 HydrophobicContact CB-CG 3.99Å; K373-P642 HydrophobicContact CD-CG 4.45Å
643	E	70.3	Confident	63	Low	135 Å²	135	90.1 Å²	90.1	63%	0.631	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-58.4	147.1	171.7	-62.6	-168.6	154.6	0	0	108.2	H254 P641 T645	H254-E643 IonicContact CE1-OE1 2.85Å; H254-E643 IonicContact ND1-OE1 3.66Å; H254-E643 PolarHBondContact ND1-OE1 3.45Å; H254-E643 VanDerWaalsContact ND1-OE1 3.11Å; P641-E643 PolarHBondContact O-N 3.19Å; E643-T645 PolarHBondContact O-N 3.43Å
644	E	51	Low	60.1	Low	184 Å²	184	93.8 Å²	93.8	86%	0.86	53%	0.527	S	S	*	.			trans	-63.3	77.8	177.3	-71.4	178.3	-173	0	0	109.9	T646	E644-T646 PolarHBondContact O-N 2.87Å
645	T	37.3	Very low	57.3	Low	121 Å²	121	101.7 Å²	101.7	74%	0.742	57%	0.567	S	S	*	*			trans	-66.8	122.9	156.7	47.9	0	0	0	0	105.6	E643	E643-T645 PolarHBondContact O-N 3.43Å
646	T	27.2	Very low	54.5	Low	127 Å²	127	106.7 Å²	106.7	78%	0.779	60%	0.602	S	S	*	*			trans	-33.7	133.7	171.1	33	0	0	0	0	110.9	E644 S648	E644-T646 PolarHBondContact O-N 2.87Å; T646-S648 PolarHBondContact O-N 3.45Å
647	P	30.3	Very low	51.3	Low	122 Å²	122	109.2 Å²	109.2	79%	0.792	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-54.9	122.8	-174.2	21.3	-31.1	0	0	0	109
648	S	28.7	Very low	48.5	Very low	103 Å²	103	118.9 Å²	118.9	72%	0.72	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-49.9	134.2	161.1	53.2	0	0	0	0	107.4	T646 S650	T646-S648 PolarHBondContact O-N 3.45Å; S648-S650 PolarHBondContact O-N 3.02Å
649	P	29.9	Very low	46.1	Very low	122 Å²	122	123.4 Å²	123.4	79%	0.792	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-54.8	121.1	-172.7	21.5	-30.6	0	0	0	108.5	R651	P649-R651 PolarHBondContact O-N 3.15Å
650	S	32.1	Very low	43.7	Very low	105 Å²	105	129.7 Å²	129.7	73%	0.734	75%	0.753	S	S	*	*			trans	-43.3	124.1	171.2	46.7	0	0	0	0	108.4	S648 E652	S648-S650 PolarHBondContact O-N 3.02Å; S650-E652 PolarHBondContact O-N 3.28Å
651	R	35.3	Very low	41.3	Very low	245 Å²	245	131.4 Å²	131.4	93%	0.925	77%	0.771	S	S	*	*			trans	-50.2	106.9	166.5	-93.2	174.2	150.5	-177.2	-7.3	107.6	P649 S653	P649-R651 PolarHBondContact O-N 3.15Å; R651-S653 PolarHBondContact O-N 2.88Å
652	E	29	Very low	38.8	Very low	181 Å²	181	136.2 Å²	136.2	85%	0.846	80%	0.797	S	S	*	*			trans	-53.7	126.3	162.1	-72.6	-178.7	157.7	0	0	107.7	S650 P654	S650-E652 PolarHBondContact O-N 3.28Å; E652-P654 WeakPolarHBondContact O-CD 3.39Å
653	S	29.6	Very low	36.2	Very low	115 Å²	115	142.1 Å²	142.1	80%	0.804	83%	0.83	S	S	*	*			trans	-53.9	119.1	167	-58.2	0	0	0	0	108.7	R651 L655	R651-S653 PolarHBondContact O-N 2.88Å; S653-L655 PolarHBondContact O-N 3.17Å; S653-L655 VanDerWaalsContact O-N 3.17Å
654	P	34.9	Very low	33.9	Very low	117 Å²	117	142.5 Å²	142.5	76%	0.76	84%	0.843	S	S	*	*			trans	-79.5	104.8	168.8	30.5	-24.7	0	0	0	105.7	E652	E652-P654 WeakPolarHBondContact O-CD 3.39Å
655	L	37.7	Very low	32.7	Very low	173 Å²	173	139.6 Å²	139.6	91%	0.906	84%	0.842	S	S	*	*			trans	174.5	84.7	148.5	-92.4	158.1	0	0	0	109.7	S653	S653-L655 PolarHBondContact O-N 3.17Å; S653-L655 VanDerWaalsContact O-N 3.17Å
656	S	37.3	Very low	32.3	Very low	120 Å²	120	141 Å²	141	84%	0.839	85%	0.849	S	S	*	*			trans	-164.3	101	144.6	51.9	0	0	0	0	109.3
657	A	29.9	Very low	32.7	Very low	99 Å²	99	142.2 Å²	142.2	82%	0.818	86%	0.855	S	S	*	*			trans	-171.5	150.6	150.5	0	0	0	0	0	110.5
658	P	38.2	Very low	33	Very low	204 Å²	204	144 Å²	144	100%	1.325	86%	0.861	S	S	*	*			cis	-96.9	0	-43.9	16.7	3.1	0	0	0	112.5

Retrieved 658 of 658 residues in 186.7 ms (Link to these results)

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