A0A2K5KR59_CERAT Loading...

Angiopoietin-related protein 3

AlphaFold DB , UniProt , Accession A0A2K5KR59, Species CERAT (Cercocebus atys, Sooty mangabey), Gene ANGPTL3, Length 460 aa.

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(Predicted Aligned Error values between residue pairs)

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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	37.8	Very low	34	Very low	239 Å²	239	167.6 Å²	167.6	100%	1.177	84%	0.841	S	S	*	*				0	83.9	0	-121.6	180	-178.4	0	0	108.4
2	F	31.8	Very low	34.4	Very low	209 Å²	209	162.6 Å²	162.6	92%	0.917	83%	0.829	S	S	*	*			trans	-134	109.5	172.9	-94.3	-82.5	0	0	0	108.4
3	T	33.7	Very low	34.3	Very low	135 Å²	135	161.8 Å²	161.8	83%	0.828	83%	0.826	S	S	*	*			trans	-87.5	117.1	178.9	46.5	0	0	0	0	109.4
4	I	37.6	Very low	34.4	Very low	163 Å²	163	159.4 Å²	159.4	84%	0.836	82%	0.823	S	S	*	*			trans	-91.4	114.6	171.1	-65.9	172.3	0	0	0	107.9
5	K	35.7	Very low	34.6	Very low	198 Å²	198	158.3 Å²	158.3	86%	0.861	82%	0.817	S	S	*	*			trans	-81.8	119.7	171.1	-77.8	-176.9	174.2	-179.7	0	109.1
6	L	31.7	Very low	34.4	Very low	156 Å²	156	154.7 Å²	154.7	82%	0.817	81%	0.81	S	S	*	*			trans	-93.2	116.4	171.8	-161.7	79.1	0	0	0	108.9
7	L	33.3	Very low	34.3	Very low	153 Å²	153	152.2 Å²	152.2	80%	0.801	81%	0.808	S	S	*	*			trans	-92.4	115.1	174.6	-102.7	150.5	0	0	0	109.2
8	L	31.7	Very low	34.2	Very low	143 Å²	143	157.1 Å²	157.1	75%	0.749	81%	0.814	S	S	*	*			trans	-91.9	114.8	170.6	-98.8	155.2	0	0	0	108.9
9	F	30.7	Very low	34.2	Very low	185 Å²	185	157.2 Å²	157.2	81%	0.811	81%	0.814	S	S	*	*			trans	-86.3	115.3	167	-100.3	-90.2	0	0	0	109.2
10	I	35.2	Very low	34.2	Very low	148 Å²	148	157.8 Å²	157.8	76%	0.759	82%	0.819	S	S	*	*			trans	-108.5	117.9	165.7	-64	174.8	0	0	0	106.6
11	V	34.4	Very low	34.2	Very low	115 Å²	115	158.1 Å²	158.1	70%	0.697	82%	0.816	S	S	*	*			trans	-99.2	125.4	172	177.5	0	0	0	0	108.2
12	P	39.3	Very low	33.9	Very low	107 Å²	107	154.9 Å²	154.9	70%	0.695	80%	0.804	S	S	*	*			trans	-97.7	120.8	164.1	28.7	-16.5	0	0	0	110.1	V14	P12-V14 PolarHBondContact O-N 2.81Å
13	L	32.6	Very low	34	Very low	152 Å²	152	152 Å²	152	80%	0.796	80%	0.798	S	S	*	*			trans	-76.3	109.8	166.1	-110	111.1	0	0	0	108.9	I15	L13-I15 HydrophobicContact CD2-CD1 4.05Å; L13-I15 HydrophobicContact CD2-CG1 4.15Å
14	V	35.7	Very low	33.9	Very low	128 Å²	128	151.4 Å²	151.4	78%	0.776	80%	0.799	S	S	*	*			trans	-96	116	164	174.4	0	0	0	0	106.8	P12	P12-V14 PolarHBondContact O-N 2.81Å
15	I	37.7	Very low	33.7	Very low	144 Å²	144	148.2 Å²	148.2	74%	0.738	79%	0.791	S	S	*	*			trans	-106.9	111.2	165.6	-61.4	179.3	0	0	0	107.8	L13	L13-I15 HydrophobicContact CD2-CD1 4.05Å; L13-I15 HydrophobicContact CD2-CG1 4.15Å
16	S	32.2	Very low	33.6	Very low	100 Å²	100	147.5 Å²	147.5	70%	0.699	79%	0.788	S	S	*	*			trans	-81.5	136.2	166.8	-169	0	0	0	0	108.8
17	S	32.8	Very low	33.6	Very low	112 Å²	112	147.6 Å²	147.6	78%	0.783	79%	0.79	S	S	*	*			trans	-137.4	112.5	153.1	54.2	0	0	0	0	109.1
18	R	32.4	Very low	34	Very low	240 Å²	240	145.4 Å²	145.4	91%	0.906	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-75.9	139.8	165.8	-90.7	-178.7	175.9	178.2	-1.5	108.4
19	I	33.5	Very low	34.2	Very low	160 Å²	160	145.3 Å²	145.3	82%	0.821	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-89.2	124.3	172.4	-68.3	163.1	0	0	0	107.1
20	D	34.1	Very low	34.7	Very low	169 Å²	169	141.3 Å²	141.3	90%	0.904	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-91.2	144.5	163.1	-93.8	-31.3	0	0	0	110.2
21	Q	33.8	Very low	35.1	Very low	165 Å²	165	140 Å²	140	77%	0.771	79%	0.789	S	S	*	*			trans	-113.1	116.6	-163.2	-165.8	178.4	12.2	0	0	107.6
22	D	32.2	Very low	35.9	Very low	171 Å²	171	142.5 Å²	142.5	91%	0.914	79%	0.793	S	S	*	*			trans	-125.7	122.9	166.3	-102.1	-22.9	0	0	0	110.4
23	N	33.1	Very low	36.3	Very low	149 Å²	149	143.5 Å²	143.5	80%	0.797	80%	0.799	S	S	*	*			trans	-83.5	130.3	-178.4	-80.4	-37.2	0	0	0	110.8
24	S	32.2	Very low	37.4	Very low	121 Å²	121	145.9 Å²	145.9	85%	0.846	80%	0.803	S	S	*	*			trans	-147.2	118.6	145.5	58.9	0	0	0	0	110.6
25	S	33.7	Very low	38.4	Very low	97 Å²	97	143.9 Å²	143.9	68%	0.678	80%	0.795	S	S	*	*			trans	-81.4	151.6	165.7	61.6	0	0	0	0	108.7
26	F	32.7	Very low	39.6	Very low	182 Å²	182	148.6 Å²	148.6	80%	0.798	80%	0.803	S	S	*	*			cis	-158.1	142.6	30.3	-99.4	-94.9	0	0	0	105.6
27	D	31.4	Very low	41.1	Very low	158 Å²	158	151.9 Å²	151.9	85%	0.845	81%	0.805	S	S	*	*				-173.7	139.2	117.2	-102.8	-20	0	0	0	111.5
28	S	41.7	Very low	42.9	Very low	107 Å²	107	150 Å²	150	75%	0.748	80%	0.796	S	S	*	*			trans	-83.4	121	-162.1	50.8	0	0	0	0	113.2
29	V	37.3	Very low	44.9	Very low	142 Å²	142	145.3 Å²	145.3	86%	0.861	79%	0.786	S	S	*	*			trans	-140.6	130.9	153.3	-175.6	0	0	0	0	109.1
30	S	39.9	Very low	47	Very low	101 Å²	101	143.2 Å²	143.2	71%	0.706	78%	0.776	S	S	*	*			trans	-29.8	132.1	178.4	178.5	0	0	0	0	116.4	E32	S30-E32 PolarHBondContact O-N 3.16Å
31	P	43.8	Very low	49.1	Very low	121 Å²	121	140.1 Å²	140.1	79%	0.786	76%	0.76	S	S	*	*			trans	-82.4	109.5	171.3	32	-27.2	0	0	0	109.9
32	E	51.1	Low	51.4	Low	167 Å²	167	136.4 Å²	136.4	78%	0.78	75%	0.745	S	S	*	*			trans	-55.6	146	155.5	-80.1	179.5	150.9	0	0	109.4	S30 K34	S30-E32 PolarHBondContact O-N 3.16Å; E32-K34 PolarHBondContact O-N 2.93Å
33	P	48.6	Very low	53.8	Low	128 Å²	128	131.6 Å²	131.6	83%	0.831	72%	0.722	S	S	*	*			trans	-62.3	103.1	179.7	26	-32.2	0	0	0	108.8	S35	P33-S35 PolarHBondContact O-N 2.85Å; P33-S35 VanDerWaalsContact O-N 3.1Å
34	K	55	Low	56.1	Low	202 Å²	202	129.6 Å²	129.6	88%	0.878	71%	0.706	S	S	*	*			trans	-54.1	121.6	171.2	-77.3	-177.9	177.5	178.9	0	107.9	E32 R36	E32-K34 PolarHBondContact O-N 2.93Å; K34-R36 PolarHBondContact O-N 2.82Å; K34-R36 VanDerWaalsContact O-N 3.17Å
35	S	57.1	Low	58.7	Low	86 Å²	86	129.4 Å²	129.4	60%	0.601	69%	0.694	S	S	*	*			trans	-39.9	121.3	171.6	167	0	0	0	0	110.1	P33 F37	P33-S35 PolarHBondContact O-N 2.85Å; P33-S35 VanDerWaalsContact O-N 3.1Å; S35-F37 PolarHBondContact O-N 3.03Å; S35-F37 VanDerWaalsContact O-N 3.16Å; S35-F37 PolarHBondContact OG-N 3.32Å; S35-F37 VanDerWaalsContact OG-N 3.11Å; S35-F37 PolarHBondContact OG-O 2.99Å
36	R	62.3	Low	61	Low	243 Å²	243	130.3 Å²	130.3	92%	0.917	69%	0.691	S	S	*	*	S	Bend	trans	-72.1	2.1	172.8	-142.6	179.9	-173.8	-169.8	1.8	112.2	K34	K34-R36 PolarHBondContact O-N 2.82Å; K34-R36 VanDerWaalsContact O-N 3.17Å
37	F	64.8	Low	63.5	Low	169 Å²	169	123.8 Å²	123.8	74%	0.741	67%	0.67	S	S	*	*	S	Bend	trans	-112.6	135.2	-177	-56.7	-78.2	0	0	0	109.7	S35	S35-F37 PolarHBondContact O-N 3.03Å; S35-F37 VanDerWaalsContact O-N 3.16Å; S35-F37 PolarHBondContact OG-N 3.32Å; S35-F37 VanDerWaalsContact OG-N 3.11Å; S35-F37 PolarHBondContact OG-O 2.99Å
38	A	69.8	Low	66	Low	71 Å²	71	121.2 Å²	121.2	59%	0.587	66%	0.657	S	S	*	*			trans	-57.2	145.2	171.8	0	0	0	0	0	110.2	L40 V43	A38-L40 PolarHBondContact O-N 3.23Å; A38-V43 HydrophobicContact CB-CG2 3.83Å
39	M	74.9	Confident	68.3	Low	142 Å²	142	117.9 Å²	117.9	70%	0.7	64%	0.64	S	S	*	*			trans	-59.2	139.3	175.8	-74.9	-169.3	156.8	0	0	109.5	D41 D42 V43	M39-D41 PolarHBondContact O-N 3.38Å; M39-D41 VanDerWaalsContact O-N 3.08Å; M39-D42 WeakPolarHBondContact O-CB 3.46Å; M39-D42 PolarHBondContact O-N 3.02Å; M39-V43 PolarHBondContact O-N 3.45Å; M39-V43 VanDerWaalsContact O-N 3.15Å
40	L	76.8	Confident	70.8	Confident	117 Å²	117	117 Å²	117	61%	0.613	63%	0.629	S	S	*	*	H	α-helix	trans	-54.4	-32.7	-177.1	-176.2	71	0	0	0	112	A38 V43 K44	A38-L40 PolarHBondContact O-N 3.23Å; L40-V43 PolarHBondContact O-N 3.49Å; L40-K44 WeakPolarHBondContact O-CG 3.45Å; L40-K44 PolarHBondContact O-N 3.46Å
41	D	78.8	Confident	73.2	Confident	104 Å²	104	117.2 Å²	117.2	56%	0.556	62%	0.622	S	S	*	*	H	α-helix	trans	-69.8	-38.8	178.9	-65.4	-27.7	0	0	0	112.1	M39 V43 K44 I45	M39-D41 PolarHBondContact O-N 3.38Å; M39-D41 VanDerWaalsContact O-N 3.08Å; D41-V43 VanDerWaalsContact C-N 3.34Å; D41-V43 PolarHBondContact O-N 3.36Å; D41-K44 PolarHBondContact O-N 2.71Å; D41-I45 VanDerWaalsContact O-CG1 3.27Å; D41-I45 WeakPolarHBondContact O-CG1 3.48Å; D41-I45 PolarHBondContact O-N 2.96Å
42	D	81.7	Confident	75.4	Confident	86 Å²	86	118.7 Å²	118.7	46%	0.46	62%	0.618	S	S	.	*	H	α-helix	trans	-64.7	-40.2	173.8	-62.5	-30.8	0	0	0	111.2	M39 I45 L46	M39-D42 WeakPolarHBondContact O-CB 3.46Å; M39-D42 PolarHBondContact O-N 3.02Å; D42-I45 PolarHBondContact O-N 3.05Å; D42-L46 WeakPolarHBondContact O-CB 3.34Å; D42-L46 WeakPolarHBondContact O-CG 3.29Å; D42-L46 PolarHBondContact O-N 3.06Å
43	V	83.1	Confident	77.4	Confident	71 Å²	71	116.8 Å²	116.8	43%	0.43	61%	0.613	S	S	.	*	H	α-helix	trans	-65.3	-40	176.4	178.9	0	0	0	0	111	A38 M39 L40 D41 L46 A47	A38-V43 HydrophobicContact CB-CG2 3.83Å; M39-V43 PolarHBondContact O-N 3.45Å; M39-V43 VanDerWaalsContact O-N 3.15Å; L40-V43 PolarHBondContact O-N 3.49Å; D41-V43 VanDerWaalsContact C-N 3.34Å; D41-V43 PolarHBondContact O-N 3.36Å; V43-L46 PolarHBondContact O-N 3.3Å; V43-A47 VanDerWaalsContact O-CB 3.28Å; V43-A47 WeakPolarHBondContact O-CB 3.5Å; V43-A47 PolarHBondContact O-N 2.86Å
44	K	82.2	Confident	79.4	Confident	107 Å²	107	112.6 Å²	112.6	47%	0.465	59%	0.593	S	S	.	*	H	α-helix	trans	-65.6	-41.5	175.2	-79	173.7	-177.9	169.3	0	112.2	L40 D41 A47 N48	L40-K44 WeakPolarHBondContact O-CG 3.45Å; L40-K44 PolarHBondContact O-N 3.46Å; D41-K44 PolarHBondContact O-N 2.71Å; K44-A47 PolarHBondContact O-N 3.45Å; K44-N48 WeakPolarHBondContact O-CB 3.44Å; K44-N48 PolarHBondContact O-N 2.89Å; K44-N48 PolarHBondContact O-ND2 3.03Å
45	I	85.4	Confident	81	Confident	117 Å²	117	108.5 Å²	108.5	60%	0.6	58%	0.577	S	S	*	*	H	α-helix	trans	-62	-46.3	176.8	-69.6	165	0	0	0	110	D41 D42 N48 G49	D41-I45 VanDerWaalsContact O-CG1 3.27Å; D41-I45 WeakPolarHBondContact O-CG1 3.48Å; D41-I45 PolarHBondContact O-N 2.96Å; D42-I45 PolarHBondContact O-N 3.05Å; I45-N48 PolarHBondContact O-N 3Å; I45-G49 PolarHBondContact O-N 3Å
46	L	83.3	Confident	82.7	Confident	116 Å²	116	106.4 Å²	106.4	61%	0.607	57%	0.569	S	S	*	*	H	α-helix	trans	-63.1	-43.7	176.4	-75.9	166.6	0	0	0	112.3	D42 V43 G49 L50	D42-L46 WeakPolarHBondContact O-CB 3.34Å; D42-L46 WeakPolarHBondContact O-CG 3.29Å; D42-L46 PolarHBondContact O-N 3.06Å; V43-L46 PolarHBondContact O-N 3.3Å; L46-G49 PolarHBondContact O-N 3.32Å; L46-L50 WeakPolarHBondContact O-CB 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.49Å; L46-L50 PolarHBondContact O-N 3.03Å
47	A	83.6	Confident	84.2	Confident	44 Å²	44	100.3 Å²	100.3	36%	0.364	55%	0.554	S	S	.	*	H	α-helix	trans	-62.1	-43.8	177.2	0	0	0	0	0	111.9	V43 K44 L50 L51	V43-A47 VanDerWaalsContact O-CB 3.28Å; V43-A47 WeakPolarHBondContact O-CB 3.5Å; V43-A47 PolarHBondContact O-N 2.86Å; K44-A47 PolarHBondContact O-N 3.45Å; A47-L50 PolarHBondContact O-N 2.71Å; A47-L51 WeakPolarHBondContact O-CB 3.38Å; A47-L51 WeakPolarHBondContact O-CG 3.37Å; A47-L51 PolarHBondContact O-N 3.31Å
48	N	85.3	Confident	85.5	Confident	104 Å²	104	97.9 Å²	97.9	56%	0.556	54%	0.543	S	S	*	.	H	α-helix	trans	-66.3	-41.1	176.8	-71.9	-16.6	0	0	0	111.9	K44 I45 L51 Q52	K44-N48 WeakPolarHBondContact O-CB 3.44Å; K44-N48 PolarHBondContact O-N 2.89Å; K44-N48 PolarHBondContact O-ND2 3.03Å; I45-N48 PolarHBondContact O-N 3Å; N48-L51 PolarHBondContact O-N 3.32Å; N48-Q52 WeakPolarHBondContact O-CB 3.38Å; N48-Q52 PolarHBondContact O-N 3.35Å
49	G	89.2	Confident	86.6	Confident	38 Å²	38	99.3 Å²	99.3	39%	0.392	54%	0.541	S	S	.	.	H	α-helix	trans	-62.3	-42.1	175.3	0	0	0	0	0	112.8	I45 L46 Q52 L53	I45-G49 PolarHBondContact O-N 3Å; L46-G49 PolarHBondContact O-N 3.32Å; G49-Q52 PolarHBondContact O-N 3.34Å; G49-L53 WeakPolarHBondContact O-CB 3.29Å; G49-L53 PolarHBondContact O-N 2.87Å
50	L	89.9	Confident	87.5	Confident	122 Å²	122	99 Å²	99	64%	0.639	54%	0.536	S	S	*	.	H	α-helix	trans	-66.8	-39.5	175.5	-74.7	169	0	0	0	112.4	L46 A47 L53 G54	L46-L50 WeakPolarHBondContact O-CB 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.49Å; L46-L50 PolarHBondContact O-N 3.03Å; A47-L50 PolarHBondContact O-N 2.71Å; L50-L53 PolarHBondContact O-N 3.28Å; L50-G54 PolarHBondContact O-N 3.25Å
51	L	89.6	Confident	88.3	Confident	107 Å²	107	97.4 Å²	97.4	56%	0.56	53%	0.531	S	S	*	.	H	α-helix	trans	-63.7	-43.6	174.1	-76.1	170.7	0	0	0	111.6	A47 N48 L53 G54 H55	A47-L51 WeakPolarHBondContact O-CB 3.38Å; A47-L51 WeakPolarHBondContact O-CG 3.37Å; A47-L51 PolarHBondContact O-N 3.31Å; N48-L51 PolarHBondContact O-N 3.32Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 2.96Å; L51-G54 PolarHBondContact O-N 3.42Å; L51-H55 PolarHBondContact O-CD2 3Å; L51-H55 PolarHBondContact O-N 2.94Å
52	Q	91.1	Very high	89	Confident	151 Å²	151	97.8 Å²	97.8	71%	0.706	53%	0.529	S	S	*	.	H	α-helix	trans	-63.3	-40.4	177.1	-172.2	174.1	-1.1	0	0	111.7	N48 G49 G54 H55 G56	N48-Q52 WeakPolarHBondContact O-CB 3.38Å; N48-Q52 PolarHBondContact O-N 3.35Å; G49-Q52 PolarHBondContact O-N 3.34Å; Q52-G54 VanDerWaalsContact C-N 3.35Å; Q52-H55 PolarHBondContact O-N 2.88Å; Q52-G56 PolarHBondContact O-N 3.25Å
53	L	92	Very high	89.6	Confident	128 Å²	128	100.7 Å²	100.7	67%	0.67	54%	0.537	S	S	*	.	H	α-helix	trans	-62.3	-43.1	173.1	-164.8	88.8	0	0	0	111.4	G49 L50 L51 H55 G56 L57	G49-L53 WeakPolarHBondContact O-CB 3.29Å; G49-L53 PolarHBondContact O-N 2.87Å; L50-L53 PolarHBondContact O-N 3.28Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 2.96Å; L53-H55 PolarHBondContact O-N 3.35Å; L53-G56 PolarHBondContact O-N 3.44Å; L53-L57 WeakPolarHBondContact O-CB 3.49Å; L53-L57 PolarHBondContact O-N 3.02Å
54	G	90.8	Very high	90.1	Very high	40 Å²	40	99.3 Å²	99.3	41%	0.412	53%	0.529	S	S	.	.	H	α-helix	trans	-60.7	-42.8	176.2	0	0	0	0	0	112.8	L50 L51 Q52 K58	L50-G54 PolarHBondContact O-N 3.25Å; L51-G54 PolarHBondContact O-N 3.42Å; Q52-G54 VanDerWaalsContact C-N 3.35Å; G54-K58 WeakPolarHBondContact O-CB 3.5Å; G54-K58 PolarHBondContact O-N 2.76Å
55	H	90.1	Very high	90.7	Very high	115 Å²	115	100.5 Å²	100.5	53%	0.532	53%	0.534	S	S	.	.	H	α-helix	trans	-63.7	-46.9	173.3	-80.9	-66.7	0	0	0	112	L51 Q52 L53 L57 K58 D59	L51-H55 PolarHBondContact O-CD2 3Å; L51-H55 PolarHBondContact O-N 2.94Å; Q52-H55 PolarHBondContact O-N 2.88Å; L53-H55 PolarHBondContact O-N 3.35Å; H55-L57 VanDerWaalsContact C-N 3.33Å; H55-L57 PolarHBondContact O-N 3.37Å; H55-K58 WeakPolarHBondContact O-CB 3.39Å; H55-K58 PolarHBondContact O-N 3.02Å; H55-D59 PolarHBondContact O-N 3.25Å
56	G	92.4	Very high	91	Very high	42 Å²	42	96.9 Å²	96.9	43%	0.433	53%	0.525	S	S	.	.	H	α-helix	trans	-60.2	-40.7	177.4	0	0	0	0	0	113	Q52 L53 D59 F60	Q52-G56 PolarHBondContact O-N 3.25Å; L53-G56 PolarHBondContact O-N 3.44Å; G56-D59 PolarHBondContact O-N 2.97Å; G56-F60 WeakPolarHBondContact O-CB 3.5Å; G56-F60 PolarHBondContact O-N 3.44Å
57	L	92.9	Very high	91.6	Very high	116 Å²	116	96.5 Å²	96.5	61%	0.607	52%	0.521	S	S	*	.	H	α-helix	trans	-67	-41.9	176.3	-169.1	72.4	0	0	0	111.6	L53 H55 F60 V61	L53-L57 WeakPolarHBondContact O-CB 3.49Å; L53-L57 PolarHBondContact O-N 3.02Å; H55-L57 VanDerWaalsContact C-N 3.33Å; H55-L57 PolarHBondContact O-N 3.37Å; L57-F60 PolarHBondContact O-N 2.85Å; L57-V61 VanDerWaalsContact O-CG2 3.31Å; L57-V61 WeakPolarHBondContact O-CG2 3.49Å; L57-V61 PolarHBondContact O-N 2.99Å
58	K	92.3	Very high	92.1	Very high	118 Å²	118	98 Å²	98	51%	0.513	52%	0.522	S	S	.	.	H	α-helix	trans	-59.9	-46.2	175.9	176.5	178.2	176.4	-173.6	0	111.3	G54 H55 V61 H62	G54-K58 WeakPolarHBondContact O-CB 3.5Å; G54-K58 PolarHBondContact O-N 2.76Å; H55-K58 WeakPolarHBondContact O-CB 3.39Å; H55-K58 PolarHBondContact O-N 3.02Å; K58-V61 PolarHBondContact O-N 3.41Å; K58-H62 WeakPolarHBondContact CE-NE2 3.49Å; K58-H62 PolarHBondContact O-CD2 3.34Å; K58-H62 PolarHBondContact O-N 3.34Å
59	D	92.8	Very high	92.5	Very high	101 Å²	101	97.1 Å²	97.1	54%	0.54	52%	0.517	S	S	.	.	H	α-helix	trans	-65.7	-40.2	179.2	-69.8	-15.3	0	0	0	111.6	H55 G56 H62 K63	H55-D59 PolarHBondContact O-N 3.25Å; G56-D59 PolarHBondContact O-N 2.97Å; D59-H62 PolarHBondContact O-N 3.1Å; D59-K63 WeakPolarHBondContact O-CB 3.5Å; D59-K63 PolarHBondContact O-N 3.12Å
60	F	94.5	Very high	92.7	Very high	135 Å²	135	98.6 Å²	98.6	59%	0.592	52%	0.516	S	S	*	.	H	α-helix	trans	-58.9	-49.8	173	-178.3	-96.7	0	0	0	111.4	G56 L57 H62 K63 T64	G56-F60 WeakPolarHBondContact O-CB 3.5Å; G56-F60 PolarHBondContact O-N 3.44Å; L57-F60 PolarHBondContact O-N 2.85Å; F60-H62 PolarHBondContact O-N 3.48Å; F60-K63 PolarHBondContact O-N 3.31Å; F60-T64 WeakPolarHBondContact O-CB 3.47Å; F60-T64 PolarHBondContact O-N 2.96Å; F60-T64 PolarHBondContact O-OG1 3.25Å
61	V	94.5	Very high	93	Very high	84 Å²	84	97.8 Å²	97.8	51%	0.509	51%	0.511	S	S	.	.	H	α-helix	trans	-60.7	-42.6	178.5	170.9	0	0	0	0	111.7	L57 K58 T64 K65	L57-V61 VanDerWaalsContact O-CG2 3.31Å; L57-V61 WeakPolarHBondContact O-CG2 3.49Å; L57-V61 PolarHBondContact O-N 2.99Å; K58-V61 PolarHBondContact O-N 3.41Å; V61-T64 PolarHBondContact O-N 3Å; V61-K65 VanDerWaalsContact O-CB 3.31Å; V61-K65 WeakPolarHBondContact O-CB 3.32Å; V61-K65 PolarHBondContact O-N 3.48Å
62	H	92.1	Very high	93.2	Very high	112 Å²	112	99 Å²	99	52%	0.519	51%	0.512	S	S	.	.	H	α-helix	trans	-63.3	-42.4	176.2	-80.3	-63.8	0	0	0	112.2	K58 D59 F60 K65 G66	K58-H62 WeakPolarHBondContact CE-NE2 3.49Å; K58-H62 PolarHBondContact O-CD2 3.34Å; K58-H62 PolarHBondContact O-N 3.34Å; D59-H62 PolarHBondContact O-N 3.1Å; F60-H62 PolarHBondContact O-N 3.48Å; H62-K65 PolarHBondContact O-N 2.9Å; H62-G66 PolarHBondContact O-N 3.43Å
63	K	94	Very high	93.2	Very high	147 Å²	147	98 Å²	98	64%	0.639	51%	0.508	S	S	*	.	H	α-helix	trans	-65	-45.5	177.6	-169.3	173.3	-177.8	177.4	0	111.5	D59 F60 K65 G66 Q67	D59-K63 WeakPolarHBondContact O-CB 3.5Å; D59-K63 PolarHBondContact O-N 3.12Å; F60-K63 PolarHBondContact O-N 3.31Å; K63-K65 PolarHBondContact O-N 3.33Å; K63-G66 PolarHBondContact O-N 3.46Å; K63-Q67 WeakPolarHBondContact O-CG 3.43Å; K63-Q67 PolarHBondContact O-N 3.04Å
64	T	94.2	Very high	93.4	Very high	42 Å²	42	97.9 Å²	97.9	26%	0.258	50%	0.502	S	S	.	.	H	α-helix	trans	-62.8	-41.3	176.4	-56.3	0	0	0	0	111.5	F60 V61 G66 Q67 I68	F60-T64 WeakPolarHBondContact O-CB 3.47Å; F60-T64 PolarHBondContact O-N 2.96Å; F60-T64 PolarHBondContact O-OG1 3.25Å; V61-T64 PolarHBondContact O-N 3Å; T64-G66 VanDerWaalsContact C-N 3.32Å; T64-G66 PolarHBondContact O-N 2.98Å; T64-Q67 PolarHBondContact O-N 3.45Å; T64-I68 HydrophobicContact CG2-CD1 3.88Å; T64-I68 HydrophobicContact CG2-CG1 4.45Å; T64-I68 VanDerWaalsContact O-CG1 3.3Å; T64-I68 WeakPolarHBondContact O-CG1 3.4Å; T64-I68 PolarHBondContact O-N 3.14Å
65	K	94.1	Very high	93.5	Very high	132 Å²	132	100.5 Å²	100.5	57%	0.574	51%	0.506	S	S	*	.	H	α-helix	trans	-60.5	-42.1	173.9	-175.6	179.7	-179.5	179.8	0	111.8	V61 H62 K63 I68 N69	V61-K65 VanDerWaalsContact O-CB 3.31Å; V61-K65 WeakPolarHBondContact O-CB 3.32Å; V61-K65 PolarHBondContact O-N 3.48Å; H62-K65 PolarHBondContact O-N 2.9Å; K63-K65 PolarHBondContact O-N 3.33Å; K65-I68 PolarHBondContact O-N 3.14Å; K65-N69 PolarHBondContact O-N 3.21Å
66	G	92.7	Very high	93.6	Very high	40 Å²	40	100.2 Å²	100.2	41%	0.412	51%	0.508	S	S	.	.	H	α-helix	trans	-60.9	-46	175	0	0	0	0	0	112.5	H62 K63 T64 N69 D70	H62-G66 PolarHBondContact O-N 3.43Å; K63-G66 PolarHBondContact O-N 3.46Å; T64-G66 VanDerWaalsContact C-N 3.32Å; T64-G66 PolarHBondContact O-N 2.98Å; G66-N69 PolarHBondContact O-N 2.94Å; G66-D70 PolarHBondContact O-N 3.39Å
67	Q	94.9	Very high	93.5	Very high	108 Å²	108	103.3 Å²	103.3	51%	0.505	51%	0.513	S	S	.	.	H	α-helix	trans	-62.6	-42.8	176.8	-70.9	177.5	-45.2	0	0	112.5	K63 T64 N69 D70 I71	K63-Q67 WeakPolarHBondContact O-CG 3.43Å; K63-Q67 PolarHBondContact O-N 3.04Å; T64-Q67 PolarHBondContact O-N 3.45Å; Q67-N69 VanDerWaalsContact C-N 3.34Å; Q67-N69 PolarHBondContact O-N 3.45Å; Q67-D70 PolarHBondContact O-N 3.27Å; Q67-I71 VanDerWaalsContact O-CG1 3.32Å; Q67-I71 WeakPolarHBondContact O-CG1 3.39Å; Q67-I71 PolarHBondContact O-N 2.87Å
68	I	94.8	Very high	93.6	Very high	76 Å²	76	104.2 Å²	104.2	39%	0.39	51%	0.513	S	S	.	.	H	α-helix	trans	-62.8	-42.6	177.4	-71	167.1	0	0	0	110.7	T64 K65 D70 I71 F72	T64-I68 HydrophobicContact CG2-CD1 3.88Å; T64-I68 HydrophobicContact CG2-CG1 4.45Å; T64-I68 VanDerWaalsContact O-CG1 3.3Å; T64-I68 WeakPolarHBondContact O-CG1 3.4Å; T64-I68 PolarHBondContact O-N 3.14Å; K65-I68 PolarHBondContact O-N 3.14Å; I68-D70 PolarHBondContact O-N 2.91Å; I68-I71 PolarHBondContact O-N 2.9Å; I68-F72 HydrophobicContact CG2-CD2 3.58Å; I68-F72 HydrophobicContact CG2-CE2 3.38Å; I68-F72 WeakPolarHBondContact O-CD2 3.33Å; I68-F72 PolarHBondContact O-N 3.19Å
69	N	93.6	Very high	93.6	Very high	85 Å²	85	103 Å²	103	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-63.1	-41.2	177	-78.3	-5.3	0	0	0	112.4	K65 G66 Q67 I71 F72 Q73	K65-N69 PolarHBondContact O-N 3.21Å; G66-N69 PolarHBondContact O-N 2.94Å; Q67-N69 VanDerWaalsContact C-N 3.34Å; Q67-N69 PolarHBondContact O-N 3.45Å; N69-I71 VanDerWaalsContact C-N 3.34Å; N69-F72 PolarHBondContact O-N 2.86Å; N69-Q73 WeakPolarHBondContact O-CG 3.49Å; N69-Q73 PolarHBondContact O-N 3.5Å
70	D	94.6	Very high	93.4	Very high	69 Å²	69	103.9 Å²	103.9	37%	0.369	51%	0.513	S	S	.	.	H	α-helix	trans	-61.8	-41.6	174.5	179.7	62.6	0	0	0	111.6	G66 Q67 I68 F72 Q73 K74	G66-D70 PolarHBondContact O-N 3.39Å; Q67-D70 PolarHBondContact O-N 3.27Å; I68-D70 PolarHBondContact O-N 2.91Å; D70-F72 PolarHBondContact O-N 3.46Å; D70-Q73 PolarHBondContact O-N 3.29Å; D70-K74 WeakPolarHBondContact O-CG 3.46Å; D70-K74 PolarHBondContact O-N 3.03Å; D70-K74 IonicContact OD1-NZ 2.78Å; D70-K74 WeakPolarHBondContact OD2-CE 3.37Å; D70-K74 IonicContact OD2-NZ 3.36Å; D70-K74 PolarHBondContact OD2-NZ 3.3Å
71	I	94.9	Very high	93.3	Very high	106 Å²	106	100.5 Å²	100.5	54%	0.544	51%	0.506	S	S	.	.	H	α-helix	trans	-61.2	-45.7	174.9	-68.1	165.2	0	0	0	110.8	Q67 I68 N69 Q73 K74 L75	Q67-I71 VanDerWaalsContact O-CG1 3.32Å; Q67-I71 WeakPolarHBondContact O-CG1 3.39Å; Q67-I71 PolarHBondContact O-N 2.87Å; I68-I71 PolarHBondContact O-N 2.9Å; N69-I71 VanDerWaalsContact C-N 3.34Å; I71-Q73 VanDerWaalsContact C-N 3.34Å; I71-Q73 PolarHBondContact O-N 3.04Å; I71-K74 PolarHBondContact O-N 3.01Å; I71-L75 WeakPolarHBondContact O-CB 3.04Å; I71-L75 PolarHBondContact O-N 3.39Å
72	F	93.8	Very high	93.3	Very high	133 Å²	133	102.9 Å²	102.9	58%	0.583	51%	0.51	S	S	*	.	H	α-helix	trans	-62.9	-39.3	177.6	-83.5	-65.3	0	0	0	112.7	I68 N69 D70 L75 N76	I68-F72 HydrophobicContact CG2-CD2 3.58Å; I68-F72 HydrophobicContact CG2-CE2 3.38Å; I68-F72 WeakPolarHBondContact O-CD2 3.33Å; I68-F72 PolarHBondContact O-N 3.19Å; N69-F72 PolarHBondContact O-N 2.86Å; D70-F72 PolarHBondContact O-N 3.46Å; F72-L75 PolarHBondContact O-N 3.32Å; F72-N76 WeakPolarHBondContact O-CB 3.4Å; F72-N76 PolarHBondContact O-N 3.18Å
73	Q	92.4	Very high	93.1	Very high	129 Å²	129	105.4 Å²	105.4	60%	0.603	52%	0.516	S	S	*	.	H	α-helix	trans	-62.6	-45.7	174.8	-74.6	-177.8	-9.2	0	0	111.5	N69 D70 I71 L75 N76 I77	N69-Q73 WeakPolarHBondContact O-CG 3.49Å; N69-Q73 PolarHBondContact O-N 3.5Å; D70-Q73 PolarHBondContact O-N 3.29Å; I71-Q73 VanDerWaalsContact C-N 3.34Å; I71-Q73 PolarHBondContact O-N 3.04Å; Q73-L75 VanDerWaalsContact C-N 3.33Å; Q73-L75 PolarHBondContact O-N 3.32Å; Q73-N76 PolarHBondContact O-N 3.01Å; Q73-I77 WeakPolarHBondContact O-CG1 3.33Å; Q73-I77 PolarHBondContact O-N 3.39Å
74	K	94.6	Very high	92.9	Very high	126 Å²	126	102 Å²	102	55%	0.548	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-40.1	176	-74.4	171.6	177.4	163	0	112.4	D70 I71 N76 I77 F78	D70-K74 WeakPolarHBondContact O-CG 3.46Å; D70-K74 PolarHBondContact O-N 3.03Å; D70-K74 IonicContact OD1-NZ 2.78Å; D70-K74 WeakPolarHBondContact OD2-CE 3.37Å; D70-K74 IonicContact OD2-NZ 3.36Å; D70-K74 PolarHBondContact OD2-NZ 3.3Å; I71-K74 PolarHBondContact O-N 3.01Å; K74-N76 VanDerWaalsContact C-N 3.35Å; K74-I77 PolarHBondContact O-N 2.98Å; K74-F78 WeakPolarHBondContact O-CB 3.35Å; K74-F78 PolarHBondContact O-N 3.4Å
75	L	94.1	Very high	92.8	Very high	95 Å²	95	104.8 Å²	104.8	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-62.6	-43.4	176.9	-152.6	90.3	0	0	0	111.2	I71 F72 Q73 I77 F78 D79	I71-L75 WeakPolarHBondContact O-CB 3.04Å; I71-L75 PolarHBondContact O-N 3.39Å; F72-L75 PolarHBondContact O-N 3.32Å; Q73-L75 VanDerWaalsContact C-N 3.33Å; Q73-L75 PolarHBondContact O-N 3.32Å; L75-I77 PolarHBondContact O-N 3.04Å; L75-F78 WeakPolarHBondContact O-CB 3.47Å; L75-F78 PolarHBondContact O-N 2.91Å; L75-D79 PolarHBondContact O-N 3.49Å
76	N	90.6	Very high	92.6	Very high	108 Å²	108	101.8 Å²	101.8	58%	0.578	51%	0.513	S	S	*	.	H	α-helix	trans	-65	-40.2	178.9	-168.3	47.4	0	0	0	112.4	F72 Q73 K74 F78 D79 Q80	F72-N76 WeakPolarHBondContact O-CB 3.4Å; F72-N76 PolarHBondContact O-N 3.18Å; Q73-N76 PolarHBondContact O-N 3.01Å; K74-N76 VanDerWaalsContact C-N 3.35Å; N76-F78 VanDerWaalsContact C-N 3.31Å; N76-F78 PolarHBondContact O-N 3.2Å; N76-D79 PolarHBondContact O-N 3.2Å; N76-Q80 PolarHBondContact O-N 3.04Å; N76-Q80 VanDerWaalsContact O-N 3.07Å
77	I	91.1	Very high	92.5	Very high	107 Å²	107	103.8 Å²	103.8	55%	0.549	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-40.5	173.8	-66.2	165.4	0	0	0	110.6	Q73 K74 L75 Q80 S81	Q73-I77 WeakPolarHBondContact O-CG1 3.33Å; Q73-I77 PolarHBondContact O-N 3.39Å; K74-I77 PolarHBondContact O-N 2.98Å; L75-I77 PolarHBondContact O-N 3.04Å; I77-Q80 PolarHBondContact O-N 3.08Å; I77-S81 WeakPolarHBondContact O-CB 3.44Å; I77-S81 PolarHBondContact O-N 3.44Å; I77-S81 PolarHBondContact O-OG 3.45Å
78	F	94.6	Very high	92.1	Very high	135 Å²	135	104 Å²	104	59%	0.592	52%	0.515	S	S	*	.	H	α-helix	trans	-64.7	-44.9	178.1	-173.8	-94.8	0	0	0	111.9	K74 L75 N76 Q80 S81 F82	K74-F78 WeakPolarHBondContact O-CB 3.35Å; K74-F78 PolarHBondContact O-N 3.4Å; L75-F78 WeakPolarHBondContact O-CB 3.47Å; L75-F78 PolarHBondContact O-N 2.91Å; N76-F78 VanDerWaalsContact C-N 3.31Å; N76-F78 PolarHBondContact O-N 3.2Å; F78-Q80 VanDerWaalsContact C-N 3.33Å; F78-Q80 PolarHBondContact O-N 2.92Å; F78-S81 PolarHBondContact O-N 3.25Å; F78-F82 WeakPolarHBondContact O-CB 3.39Å; F78-F82 PolarHBondContact O-N 2.88Å
79	D	92.4	Very high	91.9	Very high	94 Å²	94	104.4 Å²	104.4	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-60.9	-42.5	176.9	-78.4	-12.3	0	0	0	111.8	L75 N76 F82 Y83	L75-D79 PolarHBondContact O-N 3.49Å; N76-D79 PolarHBondContact O-N 3.2Å; D79-F82 PolarHBondContact O-N 3.21Å; D79-Y83 PolarHBondContact O-N 3.3Å
80	Q	89.5	Confident	91.6	Very high	119 Å²	119	103.2 Å²	103.2	56%	0.556	52%	0.52	S	S	*	.	H	α-helix	trans	-64.1	-45	175.8	-172.5	173.3	-6.4	0	0	111.5	N76 I77 F78 F82 Y83 D84	N76-Q80 PolarHBondContact O-N 3.04Å; N76-Q80 VanDerWaalsContact O-N 3.07Å; I77-Q80 PolarHBondContact O-N 3.08Å; F78-Q80 VanDerWaalsContact C-N 3.33Å; F78-Q80 PolarHBondContact O-N 2.92Å; Q80-F82 VanDerWaalsContact C-N 3.28Å; Q80-F82 PolarHBondContact O-N 3.05Å; Q80-Y83 PolarHBondContact O-N 3.04Å; Q80-D84 PolarHBondContact O-N 3.37Å
81	S	91.8	Very high	91.4	Very high	64 Å²	64	103.4 Å²	103.4	45%	0.448	52%	0.518	S	S	.	.	H	α-helix	trans	-61.6	-37.9	177.2	-57.9	0	0	0	0	111.8	I77 F78 D84 L85	I77-S81 WeakPolarHBondContact O-CB 3.44Å; I77-S81 PolarHBondContact O-N 3.44Å; I77-S81 PolarHBondContact O-OG 3.45Å; F78-S81 PolarHBondContact O-N 3.25Å; S81-D84 PolarHBondContact O-N 3.47Å; S81-L85 VanDerWaalsContact O-CB 3.31Å; S81-L85 WeakPolarHBondContact O-CB 3.36Å; S81-L85 PolarHBondContact O-N 3.32Å
82	F	94.3	Very high	90.9	Very high	134 Å²	134	103.5 Å²	103.5	59%	0.588	52%	0.519	S	S	*	.	H	α-helix	trans	-66.6	-41.1	177	-174.3	-94.6	0	0	0	111.9	F78 D79 Q80 L85 S86	F78-F82 WeakPolarHBondContact O-CB 3.39Å; F78-F82 PolarHBondContact O-N 2.88Å; D79-F82 PolarHBondContact O-N 3.21Å; Q80-F82 VanDerWaalsContact C-N 3.28Å; Q80-F82 PolarHBondContact O-N 3.05Å; F82-L85 PolarHBondContact O-N 3.38Å; F82-S86 WeakPolarHBondContact O-CB 3.36Å; F82-S86 PolarHBondContact O-N 2.9Å
83	Y	89.1	Confident	90.8	Very high	164 Å²	164	103.2 Å²	103.2	64%	0.643	52%	0.517	S	S	*	.	H	α-helix	trans	-62.7	-46.4	174.9	-173.7	-92.7	0	0	0	111.6	D79 Q80 L85 S86 L87	D79-Y83 PolarHBondContact O-N 3.3Å; Q80-Y83 PolarHBondContact O-N 3.04Å; Y83-L85 VanDerWaalsContact C-N 3.34Å; Y83-L85 PolarHBondContact O-N 3.42Å; Y83-S86 WeakPolarHBondContact O-CB 3.32Å; Y83-S86 PolarHBondContact O-N 2.95Å; Y83-L87 PolarHBondContact O-N 3.47Å
84	D	89.3	Confident	90.7	Very high	77 Å²	77	102.1 Å²	102.1	41%	0.412	51%	0.512	S	S	.	.	H	α-helix	trans	-61.9	-42.5	178	-70.4	-19.9	0	0	0	111.4	Q80 S81 S86 L87 Q88	Q80-D84 PolarHBondContact O-N 3.37Å; S81-D84 PolarHBondContact O-N 3.47Å; D84-S86 PolarHBondContact O-N 2.92Å; D84-L87 PolarHBondContact O-N 3.45Å; D84-Q88 WeakPolarHBondContact O-CG 3.36Å; D84-Q88 PolarHBondContact O-N 3.07Å
85	L	91.8	Very high	90.4	Very high	99 Å²	99	102 Å²	102	52%	0.518	51%	0.514	S	S	.	.	H	α-helix	trans	-64.5	-39.6	176.3	-170.8	69.3	0	0	0	112.1	S81 F82 Y83 L87 Q88 T89	S81-L85 VanDerWaalsContact O-CB 3.31Å; S81-L85 WeakPolarHBondContact O-CB 3.36Å; S81-L85 PolarHBondContact O-N 3.32Å; F82-L85 PolarHBondContact O-N 3.38Å; Y83-L85 VanDerWaalsContact C-N 3.34Å; Y83-L85 PolarHBondContact O-N 3.42Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L85-Q88 PolarHBondContact O-N 3.21Å; L85-T89 WeakPolarHBondContact O-CB 3.31Å; L85-T89 PolarHBondContact O-N 3.07Å; L85-T89 PolarHBondContact O-OG1 3.49Å
86	S	90.1	Very high	90.2	Very high	70 Å²	70	101.7 Å²	101.7	49%	0.49	51%	0.509	S	S	.	.	H	α-helix	trans	-63.7	-39.3	174.8	-176.9	0	0	0	0	111.6	F82 Y83 D84 T89 S90	F82-S86 WeakPolarHBondContact O-CB 3.36Å; F82-S86 PolarHBondContact O-N 2.9Å; Y83-S86 WeakPolarHBondContact O-CB 3.32Å; Y83-S86 PolarHBondContact O-N 2.95Å; D84-S86 PolarHBondContact O-N 2.92Å; S86-T89 PolarHBondContact O-N 3.31Å; S86-S90 PolarHBondContact O-N 2.95Å; S86-S90 VanDerWaalsContact O-N 3.1Å
87	L	89.7	Confident	90.2	Very high	81 Å²	81	100.7 Å²	100.7	42%	0.424	50%	0.5	S	S	.	.	H	α-helix	trans	-65.4	-49.3	176.7	-175.1	66.2	0	0	0	110.7	Y83 D84 L85 T89 S90 E91	Y83-L87 PolarHBondContact O-N 3.47Å; D84-L87 PolarHBondContact O-N 3.45Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L87-T89 VanDerWaalsContact C-N 3.3Å; L87-T89 PolarHBondContact O-N 2.94Å; L87-S90 WeakPolarHBondContact O-CB 3.32Å; L87-S90 PolarHBondContact O-N 2.98Å; L87-S90 PolarHBondContact O-OG 3.43Å; L87-E91 PolarHBondContact O-N 3.33Å
88	Q	88.3	Confident	90.2	Very high	113 Å²	113	101.6 Å²	101.6	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-58.2	-41.5	175.9	-74	-176.2	-22.4	0	0	112.1	D84 L85 S90 E91 I92	D84-Q88 WeakPolarHBondContact O-CG 3.36Å; D84-Q88 PolarHBondContact O-N 3.07Å; L85-Q88 PolarHBondContact O-N 3.21Å; Q88-S90 VanDerWaalsContact C-N 3.26Å; Q88-S90 PolarHBondContact O-N 3.03Å; Q88-E91 PolarHBondContact O-N 3.44Å; Q88-I92 VanDerWaalsContact O-CG1 3.32Å; Q88-I92 WeakPolarHBondContact O-CG1 3.36Å; Q88-I92 PolarHBondContact O-N 2.99Å
89	T	89.9	Confident	90	Very high	85 Å²	85	100.6 Å²	100.6	52%	0.521	50%	0.502	S	S	.	.	H	α-helix	trans	-60.2	-38.3	175.9	-58.7	0	0	0	0	111.6	L85 S86 L87 K93	L85-T89 WeakPolarHBondContact O-CB 3.31Å; L85-T89 PolarHBondContact O-N 3.07Å; L85-T89 PolarHBondContact O-OG1 3.49Å; S86-T89 PolarHBondContact O-N 3.31Å; L87-T89 VanDerWaalsContact C-N 3.3Å; L87-T89 PolarHBondContact O-N 2.94Å; T89-K93 WeakPolarHBondContact O-CB 3.38Å; T89-K93 PolarHBondContact O-N 3.33Å; T89-K93 VanDerWaalsContact O-N 3.16Å
90	S	87.3	Confident	90.1	Very high	60 Å²	60	104 Å²	104	42%	0.42	51%	0.508	S	S	.	.	H	α-helix	trans	-69.9	-37	176.4	77.7	0	0	0	0	112.8	S86 L87 Q88 K93 E94	S86-S90 PolarHBondContact O-N 2.95Å; S86-S90 VanDerWaalsContact O-N 3.1Å; L87-S90 WeakPolarHBondContact O-CB 3.32Å; L87-S90 PolarHBondContact O-N 2.98Å; L87-S90 PolarHBondContact O-OG 3.43Å; Q88-S90 VanDerWaalsContact C-N 3.26Å; Q88-S90 PolarHBondContact O-N 3.03Å; S90-K93 PolarHBondContact O-N 3.32Å; S90-E94 PolarHBondContact O-N 3.47Å
91	E	89.2	Confident	90.2	Very high	73 Å²	73	106.3 Å²	106.3	34%	0.341	51%	0.512	S	S	.	.	H	α-helix	trans	-65.4	-48.4	175.5	-69.5	-174	145.9	0	0	110.9	L87 Q88 K93 E94 E95 R421	L87-E91 PolarHBondContact O-N 3.33Å; Q88-E91 PolarHBondContact O-N 3.44Å; E91-K93 PolarHBondContact O-N 3.01Å; E91-E94 PolarHBondContact O-N 3.02Å; E91-E95 PolarHBondContact O-N 3.43Å; E91-R421 IonicContact OE1-CZ 3.72Å; E91-R421 IonicContact OE1-NH2 3.88Å; E91-R421 PolarHBondContact OE1-NH2 2.94Å
92	I	85.7	Confident	90.1	Very high	108 Å²	108	106.1 Å²	106.1	55%	0.554	51%	0.508	S	S	*	.	H	α-helix	trans	-56	-40.4	176.5	-68.7	166.7	0	0	0	110.9	Q88 E94 E95 E96	Q88-I92 VanDerWaalsContact O-CG1 3.32Å; Q88-I92 WeakPolarHBondContact O-CG1 3.36Å; Q88-I92 PolarHBondContact O-N 2.99Å; I92-E94 VanDerWaalsContact C-N 3.33Å; I92-E94 PolarHBondContact O-N 3.22Å; I92-E95 PolarHBondContact O-N 2.92Å; I92-E96 WeakPolarHBondContact O-CB 3.47Å; I92-E96 PolarHBondContact O-N 3.06Å
93	K	91.3	Very high	89.9	Confident	126 Å²	126	103.3 Å²	103.3	55%	0.548	50%	0.502	S	S	.	.	H	α-helix	trans	-66.2	-33.6	179.2	-169.3	177.9	-176.8	175.4	0	113	T89 S90 E91 K97	T89-K93 WeakPolarHBondContact O-CB 3.38Å; T89-K93 PolarHBondContact O-N 3.33Å; T89-K93 VanDerWaalsContact O-N 3.16Å; S90-K93 PolarHBondContact O-N 3.32Å; E91-K93 PolarHBondContact O-N 3.01Å; K93-K97 WeakPolarHBondContact O-CG 3.32Å; K93-K97 PolarHBondContact O-N 3Å
94	E	89.7	Confident	90.2	Very high	106 Å²	106	103.2 Å²	103.2	50%	0.495	50%	0.501	S	S	.	.	H	α-helix	trans	-75.6	-40	175	-70.3	-56.3	134.9	0	0	111.5	S90 E91 I92 E96 K97 E98	S90-E94 PolarHBondContact O-N 3.47Å; E91-E94 PolarHBondContact O-N 3.02Å; I92-E94 VanDerWaalsContact C-N 3.33Å; I92-E94 PolarHBondContact O-N 3.22Å; E94-E96 VanDerWaalsContact C-N 3.31Å; E94-E96 PolarHBondContact O-N 3.39Å; E94-K97 WeakPolarHBondContact O-CB 3.49Å; E94-K97 PolarHBondContact O-N 3.47Å; E94-K97 IonicContact OE1-NZ 2.84Å; E94-K97 PolarHBondContact OE1-NZ 3.45Å; E94-K97 IonicContact OE2-NZ 3.23Å; E94-E98 PolarHBondContact O-N 2.9Å
95	E	88.6	Confident	90.3	Very high	125 Å²	125	106.5 Å²	106.5	58%	0.584	51%	0.512	S	S	*	.	H	α-helix	trans	-60.8	-40.4	173.1	-69.4	-175	168.9	0	0	111.7	E91 I92 K97 E98 L99	E91-E95 PolarHBondContact O-N 3.43Å; I92-E95 PolarHBondContact O-N 2.92Å; E95-K97 VanDerWaalsContact C-N 3.32Å; E95-K97 PolarHBondContact O-N 3.26Å; E95-E98 PolarHBondContact O-N 2.91Å; E95-L99 WeakPolarHBondContact O-CB 3.48Å; E95-L99 PolarHBondContact O-N 3.19Å
96	E	89.8	Confident	90.2	Very high	87 Å²	87	107.6 Å²	107.6	41%	0.407	52%	0.518	S	S	.	.	H	α-helix	trans	-60	-41.3	175.2	-168.7	-163.6	162.9	0	0	111.7	I92 E94 L99 R100	I92-E96 WeakPolarHBondContact O-CB 3.47Å; I92-E96 PolarHBondContact O-N 3.06Å; E94-E96 VanDerWaalsContact C-N 3.31Å; E94-E96 PolarHBondContact O-N 3.39Å; E96-L99 PolarHBondContact O-N 3.32Å; E96-R100 WeakPolarHBondContact O-CB 3.39Å; E96-R100 VanDerWaalsContact O-CG 3.3Å; E96-R100 WeakPolarHBondContact O-CG 3.48Å; E96-R100 PolarHBondContact O-N 3.22Å; E96-R100 IonicContact OE1-CZ 3.77Å; E96-R100 IonicContact OE1-NE 2.69Å; E96-R100 PolarHBondContact OE1-NE 2.91Å; E96-R100 IonicContact OE1-NH2 2.73Å; E96-R100 PolarHBondContact OE1-NH2 3.24Å
97	K	91.8	Very high	90.4	Very high	88 Å²	88	109.6 Å²	109.6	38%	0.383	52%	0.519	S	S	.	.	H	α-helix	trans	-65.4	-40.1	176.3	-72.3	172.4	-173.5	169.6	0	111.7	K93 E94 E95 R100 R101	K93-K97 WeakPolarHBondContact O-CG 3.32Å; K93-K97 PolarHBondContact O-N 3Å; E94-K97 WeakPolarHBondContact O-CB 3.49Å; E94-K97 PolarHBondContact O-N 3.47Å; E94-K97 IonicContact OE1-NZ 2.84Å; E94-K97 PolarHBondContact OE1-NZ 3.45Å; E94-K97 IonicContact OE2-NZ 3.23Å; E95-K97 VanDerWaalsContact C-N 3.32Å; E95-K97 PolarHBondContact O-N 3.26Å; K97-R100 PolarHBondContact O-N 3.06Å; K97-R101 WeakPolarHBondContact O-CG 3.44Å; K97-R101 PolarHBondContact O-N 2.9Å; K97-R101 VanDerWaalsContact O-N 3.13Å
98	E	90.5	Very high	90.6	Very high	125 Å²	125	108.2 Å²	108.2	58%	0.584	51%	0.514	S	S	*	.	H	α-helix	trans	-66.8	-44.3	177.3	-170.8	167.9	-170.4	0	0	111.2	E94 E95 R100 R101 T102	E94-E98 PolarHBondContact O-N 2.9Å; E95-E98 PolarHBondContact O-N 2.91Å; E98-R100 VanDerWaalsContact C-N 3.29Å; E98-R100 PolarHBondContact O-N 3.34Å; E98-R101 WeakPolarHBondContact O-CA 3.45Å; E98-R101 WeakPolarHBondContact O-CB 3.46Å; E98-R101 PolarHBondContact O-N 3.37Å; E98-T102 PolarHBondContact O-N 3.49Å; E98-T102 PolarHBondContact O-OG1 3.2Å
99	L	90	Very high	90.7	Very high	114 Å²	114	108.6 Å²	108.6	60%	0.597	51%	0.514	S	S	*	.	H	α-helix	trans	-60.3	-38.5	175.5	-170.8	65.8	0	0	0	112	E95 E96 R101 T102 T103	E95-L99 WeakPolarHBondContact O-CB 3.48Å; E95-L99 PolarHBondContact O-N 3.19Å; E96-L99 PolarHBondContact O-N 3.32Å; L99-R101 VanDerWaalsContact C-N 3.35Å; L99-R101 PolarHBondContact O-N 3.04Å; L99-T102 WeakPolarHBondContact CA-OG1 3.35Å; L99-T102 PolarHBondContact O-N 2.88Å; L99-T102 PolarHBondContact O-OG1 3.2Å; L99-T103 VanDerWaalsContact O-CB 3.32Å; L99-T103 WeakPolarHBondContact O-CB 3.44Å; L99-T103 PolarHBondContact O-N 3.43Å; L99-T103 PolarHBondContact O-OG1 2.85Å
100	R	94.2	Very high	90.7	Very high	167 Å²	167	110 Å²	110	63%	0.63	52%	0.518	S	S	*	.	H	α-helix	trans	-63.4	-39.1	172.8	-75.6	176.7	-177.5	-163.2	1.4	112.2	E96 K97 E98 Y104	E96-R100 WeakPolarHBondContact O-CB 3.39Å; E96-R100 VanDerWaalsContact O-CG 3.3Å; E96-R100 WeakPolarHBondContact O-CG 3.48Å; E96-R100 PolarHBondContact O-N 3.22Å; E96-R100 IonicContact OE1-CZ 3.77Å; E96-R100 IonicContact OE1-NE 2.69Å; E96-R100 PolarHBondContact OE1-NE 2.91Å; E96-R100 IonicContact OE1-NH2 2.73Å; E96-R100 PolarHBondContact OE1-NH2 3.24Å; K97-R100 PolarHBondContact O-N 3.06Å; E98-R100 VanDerWaalsContact C-N 3.29Å; E98-R100 PolarHBondContact O-N 3.34Å; R100-Y104 WeakPolarHBondContact O-CB 3.47Å; R100-Y104 PolarHBondContact O-N 3.08Å
101	R	91.9	Very high	91.1	Very high	167 Å²	167	112.3 Å²	112.3	63%	0.63	52%	0.522	S	S	*	.	H	α-helix	trans	-66.5	-42.6	175.9	-71	173.4	-178.9	157.1	1.2	111.9	K97 E98 L99 Y104 K105	K97-R101 WeakPolarHBondContact O-CG 3.44Å; K97-R101 PolarHBondContact O-N 2.9Å; K97-R101 VanDerWaalsContact O-N 3.13Å; E98-R101 WeakPolarHBondContact O-CA 3.45Å; E98-R101 WeakPolarHBondContact O-CB 3.46Å; E98-R101 PolarHBondContact O-N 3.37Å; L99-R101 VanDerWaalsContact C-N 3.35Å; L99-R101 PolarHBondContact O-N 3.04Å; R101-Y104 PolarHBondContact O-N 3.48Å; R101-K105 WeakPolarHBondContact O-CG 3.48Å; R101-K105 PolarHBondContact O-N 3.33Å
102	T	89.2	Confident	91.3	Very high	59 Å²	59	112.9 Å²	112.9	36%	0.362	53%	0.525	S	S	.	.	H	α-helix	trans	-67.3	-41.7	177.8	57.1	0	0	0	0	111.1	E98 L99 Y104 K105 L106	E98-T102 PolarHBondContact O-N 3.49Å; E98-T102 PolarHBondContact O-OG1 3.2Å; L99-T102 WeakPolarHBondContact CA-OG1 3.35Å; L99-T102 PolarHBondContact O-N 2.88Å; L99-T102 PolarHBondContact O-OG1 3.2Å; T102-Y104 VanDerWaalsContact C-N 3.33Å; T102-Y104 PolarHBondContact O-N 3.4Å; T102-K105 PolarHBondContact O-N 3.46Å; T102-L106 WeakPolarHBondContact O-CG 3.4Å; T102-L106 PolarHBondContact O-N 3.21Å
103	T	91.3	Very high	91.6	Very high	76 Å²	76	111.6 Å²	111.6	47%	0.466	52%	0.522	S	S	.	.	H	α-helix	trans	-57.4	-45.5	173.9	-56.7	0	0	0	0	111.3	L99 K105 L106 Q107	L99-T103 VanDerWaalsContact O-CB 3.32Å; L99-T103 WeakPolarHBondContact O-CB 3.44Å; L99-T103 PolarHBondContact O-N 3.43Å; L99-T103 PolarHBondContact O-OG1 2.85Å; T103-K105 PolarHBondContact O-N 3.14Å; T103-L106 PolarHBondContact O-N 3.1Å; T103-Q107 WeakPolarHBondContact O-CB 3.41Å; T103-Q107 PolarHBondContact O-N 3.39Å
104	Y	93.9	Very high	91.6	Very high	161 Å²	161	112.3 Å²	112.3	63%	0.631	53%	0.525	S	S	*	.	H	α-helix	trans	-60.7	-44.9	175.8	-179.4	-96.7	0	0	0	112.3	R100 R101 T102 L106 Q107 V108	R100-Y104 WeakPolarHBondContact O-CB 3.47Å; R100-Y104 PolarHBondContact O-N 3.08Å; R101-Y104 PolarHBondContact O-N 3.48Å; T102-Y104 VanDerWaalsContact C-N 3.33Å; T102-Y104 PolarHBondContact O-N 3.4Å; Y104-L106 PolarHBondContact O-N 3.04Å; Y104-Q107 PolarHBondContact O-N 3.03Å; Y104-V108 HydrophobicContact CD1-CG2 4.48Å; Y104-V108 HydrophobicContact CE1-CG2 4.06Å; Y104-V108 WeakPolarHBondContact O-CG2 3.5Å; Y104-V108 PolarHBondContact O-N 2.97Å; Y104-V108 VanDerWaalsContact O-N 3.1Å
105	K	92.4	Very high	91.9	Very high	147 Å²	147	112.2 Å²	112.2	64%	0.639	53%	0.528	S	S	*	.	H	α-helix	trans	-62	-42.1	176.2	-71.7	179.9	-179.5	-177.5	0	112.3	R101 T102 T103 Q107 V108 K109	R101-K105 WeakPolarHBondContact O-CG 3.48Å; R101-K105 PolarHBondContact O-N 3.33Å; T102-K105 PolarHBondContact O-N 3.46Å; T103-K105 PolarHBondContact O-N 3.14Å; K105-Q107 VanDerWaalsContact C-N 3.32Å; K105-V108 PolarHBondContact O-N 3.14Å; K105-K109 WeakPolarHBondContact O-CG 3.44Å; K105-K109 PolarHBondContact O-N 3.23Å
106	L	90.1	Very high	92.1	Very high	121 Å²	121	111.6 Å²	111.6	63%	0.634	53%	0.526	S	S	*	.	H	α-helix	trans	-63.4	-39.9	176.8	-75.7	171.5	0	0	0	111.4	T102 T103 Y104 K109 N110	T102-L106 WeakPolarHBondContact O-CG 3.4Å; T102-L106 PolarHBondContact O-N 3.21Å; T103-L106 PolarHBondContact O-N 3.1Å; Y104-L106 PolarHBondContact O-N 3.04Å; L106-K109 PolarHBondContact O-N 3.07Å; L106-N110 WeakPolarHBondContact O-CB 3.34Å; L106-N110 PolarHBondContact O-N 3.47Å
107	Q	92.7	Very high	92.1	Very high	113 Å²	113	110.2 Å²	110.2	53%	0.528	53%	0.527	S	S	.	.	H	α-helix	trans	-62.1	-45.9	176.7	-172.4	174.6	-8.2	0	0	111.8	T103 Y104 K105 K109 N110 E111	T103-Q107 WeakPolarHBondContact O-CB 3.41Å; T103-Q107 PolarHBondContact O-N 3.39Å; Y104-Q107 PolarHBondContact O-N 3.03Å; K105-Q107 VanDerWaalsContact C-N 3.32Å; Q107-K109 PolarHBondContact O-N 3.48Å; Q107-N110 WeakPolarHBondContact O-CB 3.44Å; Q107-N110 PolarHBondContact O-N 3.41Å; Q107-E111 PolarHBondContact O-N 3.46Å
108	V	95.8	Very high	92.2	Very high	51 Å²	51	111 Å²	111	31%	0.309	54%	0.535	S	S	.	.	H	α-helix	trans	-60.3	-45.4	175.1	174.5	0	0	0	0	111.1	Y104 K105 N110 E111 E112	Y104-V108 HydrophobicContact CD1-CG2 4.48Å; Y104-V108 HydrophobicContact CE1-CG2 4.06Å; Y104-V108 WeakPolarHBondContact O-CG2 3.5Å; Y104-V108 PolarHBondContact O-N 2.97Å; Y104-V108 VanDerWaalsContact O-N 3.1Å; K105-V108 PolarHBondContact O-N 3.14Å; V108-N110 VanDerWaalsContact C-N 3.3Å; V108-N110 PolarHBondContact O-N 3.44Å; V108-E111 PolarHBondContact O-N 2.86Å; V108-E112 PolarHBondContact O-N 3.05Å
109	K	90.4	Very high	92.4	Very high	121 Å²	121	110.1 Å²	110.1	53%	0.526	53%	0.53	S	S	.	.	H	α-helix	trans	-61.9	-37.8	176.9	-75.8	-76	162.9	-156	0	112.5	K105 L106 Q107 E111 E112 V113	K105-K109 WeakPolarHBondContact O-CG 3.44Å; K105-K109 PolarHBondContact O-N 3.23Å; L106-K109 PolarHBondContact O-N 3.07Å; Q107-K109 PolarHBondContact O-N 3.48Å; K109-E111 VanDerWaalsContact C-N 3.34Å; K109-E112 WeakPolarHBondContact CD-OE2 3.48Å; K109-E112 WeakPolarHBondContact CE-OE2 3.39Å; K109-E112 IonicContact NZ-OE1 2.8Å; K109-E112 IonicContact NZ-OE2 3.5Å; K109-E112 PolarHBondContact NZ-OE2 3.47Å; K109-E112 PolarHBondContact O-N 2.98Å; K109-V113 WeakPolarHBondContact O-CG2 3.48Å; K109-V113 PolarHBondContact O-N 3.41Å
110	N	89.6	Confident	92.6	Very high	114 Å²	114	110.3 Å²	110.3	61%	0.61	53%	0.531	S	S	*	.	H	α-helix	trans	-66.6	-37.5	176.9	-167.4	49.2	0	0	0	111.8	L106 Q107 V108 V113 K114	L106-N110 WeakPolarHBondContact O-CB 3.34Å; L106-N110 PolarHBondContact O-N 3.47Å; Q107-N110 WeakPolarHBondContact O-CB 3.44Å; Q107-N110 PolarHBondContact O-N 3.41Å; V108-N110 VanDerWaalsContact C-N 3.3Å; V108-N110 PolarHBondContact O-N 3.44Å; N110-V113 PolarHBondContact O-N 3Å; N110-K114 WeakPolarHBondContact O-CB 3.45Å; N110-K114 PolarHBondContact O-N 3.5Å
111	E	94.7	Very high	92.4	Very high	109 Å²	109	106.3 Å²	106.3	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-66.5	-41.4	172.8	-71.9	-177.6	175.6	0	0	112.2	Q107 V108 K109 V113 K114 N115	Q107-E111 PolarHBondContact O-N 3.46Å; V108-E111 PolarHBondContact O-N 2.86Å; K109-E111 VanDerWaalsContact C-N 3.34Å; E111-V113 PolarHBondContact O-N 2.89Å; E111-K114 PolarHBondContact O-N 3.27Å; E111-N115 PolarHBondContact O-N 2.9Å
112	E	94.4	Very high	92.5	Very high	86 Å²	86	102.3 Å²	102.3	40%	0.402	52%	0.52	S	S	.	.	H	α-helix	trans	-57.9	-47.5	172.8	-72.4	174.7	-174.3	0	0	111.4	V108 K109 K114 N115 M116	V108-E112 PolarHBondContact O-N 3.05Å; K109-E112 WeakPolarHBondContact CD-OE2 3.48Å; K109-E112 WeakPolarHBondContact CE-OE2 3.39Å; K109-E112 IonicContact NZ-OE1 2.8Å; K109-E112 IonicContact NZ-OE2 3.5Å; K109-E112 PolarHBondContact NZ-OE2 3.47Å; K109-E112 PolarHBondContact O-N 2.98Å; E112-K114 VanDerWaalsContact C-N 3.34Å; E112-K114 PolarHBondContact O-N 3.28Å; E112-N115 PolarHBondContact O-N 2.76Å; E112-M116 WeakPolarHBondContact O-CG 3.31Å; E112-M116 PolarHBondContact O-N 2.96Å
113	V	91.5	Very high	92.8	Very high	81 Å²	81	105.1 Å²	105.1	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-61.9	-41.7	177.8	170.7	0	0	0	0	111.5	K109 N110 E111 N115 M116 S117	K109-V113 WeakPolarHBondContact O-CG2 3.48Å; K109-V113 PolarHBondContact O-N 3.41Å; N110-V113 PolarHBondContact O-N 3Å; E111-V113 PolarHBondContact O-N 2.89Å; V113-N115 VanDerWaalsContact C-N 3.34Å; V113-N115 PolarHBondContact O-N 2.69Å; V113-M116 HydrophobicContact CB-CE 4.42Å; V113-M116 HydrophobicContact CG2-CE 3.96Å; V113-M116 PolarHBondContact O-N 3.23Å; V113-S117 WeakPolarHBondContact O-CB 3.4Å; V113-S117 PolarHBondContact O-N 3.47Å
114	K	92	Very high	92.9	Very high	141 Å²	141	106 Å²	106	61%	0.613	53%	0.528	S	S	*	.	H	α-helix	trans	-60.3	-44	175.5	-175.1	-179.7	177.5	-176.6	0	111.5	N110 E111 E112 S117 L118	N110-K114 WeakPolarHBondContact O-CB 3.45Å; N110-K114 PolarHBondContact O-N 3.5Å; E111-K114 PolarHBondContact O-N 3.27Å; E112-K114 VanDerWaalsContact C-N 3.34Å; E112-K114 PolarHBondContact O-N 3.28Å; K114-S117 PolarHBondContact O-N 3.33Å; K114-L118 WeakPolarHBondContact O-CG 3.48Å; K114-L118 PolarHBondContact O-N 3.31Å
115	N	95.1	Very high	92.9	Very high	104 Å²	104	103.8 Å²	103.8	56%	0.556	52%	0.524	S	S	*	.	H	α-helix	trans	-65.8	-42.8	178	-72.3	-10.7	0	0	0	111.9	E111 E112 V113 S117 L118 E119	E111-N115 PolarHBondContact O-N 2.9Å; E112-N115 PolarHBondContact O-N 2.76Å; V113-N115 VanDerWaalsContact C-N 3.34Å; V113-N115 PolarHBondContact O-N 2.69Å; N115-S117 VanDerWaalsContact C-N 3.3Å; N115-S117 PolarHBondContact O-N 3.24Å; N115-L118 PolarHBondContact O-N 2.99Å; N115-E119 PolarHBondContact O-N 2.88Å
116	M	92.3	Very high	93	Very high	111 Å²	111	100.2 Å²	100.2	55%	0.547	52%	0.518	S	S	.	.	H	α-helix	trans	-61.6	-38.6	174.2	-71.5	-171.3	-62.8	0	0	112.1	E112 V113 L118 E119 L120	E112-M116 WeakPolarHBondContact O-CG 3.31Å; E112-M116 PolarHBondContact O-N 2.96Å; V113-M116 HydrophobicContact CB-CE 4.42Å; V113-M116 HydrophobicContact CG2-CE 3.96Å; V113-M116 PolarHBondContact O-N 3.23Å; M116-L118 VanDerWaalsContact C-N 3.35Å; M116-E119 PolarHBondContact O-N 3.35Å; M116-L120 WeakPolarHBondContact O-CB 3.47Å; M116-L120 PolarHBondContact O-N 2.92Å
117	S	90.7	Very high	93.1	Very high	59 Å²	59	99.4 Å²	99.4	41%	0.413	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-40.4	175.9	176.2	0	0	0	0	112	V113 K114 N115 L120 N121	V113-S117 WeakPolarHBondContact O-CB 3.4Å; V113-S117 PolarHBondContact O-N 3.47Å; K114-S117 PolarHBondContact O-N 3.33Å; N115-S117 VanDerWaalsContact C-N 3.3Å; N115-S117 PolarHBondContact O-N 3.24Å; S117-L120 PolarHBondContact O-N 3.45Å; S117-N121 WeakPolarHBondContact O-CB 3.48Å; S117-N121 VanDerWaalsContact O-CG 3.27Å; S117-N121 PolarHBondContact O-N 2.72Å; S117-N121 PolarHBondContact O-ND2 3.37Å
118	L	93.6	Very high	93	Very high	105 Å²	105	97.6 Å²	97.6	55%	0.55	51%	0.507	S	S	.	.	H	α-helix	trans	-64.9	-42.7	174.7	-69.4	171.3	0	0	0	111.7	K114 N115 M116 N121 S122	K114-L118 WeakPolarHBondContact O-CG 3.48Å; K114-L118 PolarHBondContact O-N 3.31Å; N115-L118 PolarHBondContact O-N 2.99Å; M116-L118 VanDerWaalsContact C-N 3.35Å; L118-N121 PolarHBondContact O-N 3.33Å; L118-S122 PolarHBondContact O-N 3.42Å
119	E	94.3	Very high	93	Very high	106 Å²	106	101.9 Å²	101.9	50%	0.495	52%	0.523	S	S	.	.	H	α-helix	trans	-63.2	-43.6	176.4	-168.7	-170.8	151.7	0	0	111.7	N115 M116 N121 S122 K123	N115-E119 PolarHBondContact O-N 2.88Å; M116-E119 PolarHBondContact O-N 3.35Å; E119-N121 PolarHBondContact O-N 3.43Å; E119-S122 WeakPolarHBondContact O-CB 3.24Å; E119-S122 PolarHBondContact O-N 3.42Å; E119-K123 PolarHBondContact O-N 3.07Å; E119-K123 WeakPolarHBondContact OE1-CE 3.49Å; E119-K123 IonicContact OE1-NZ 2.72Å; E119-K123 PolarHBondContact OE1-NZ 3.45Å
120	L	93.6	Very high	93.2	Very high	117 Å²	117	101 Å²	101	61%	0.613	52%	0.521	S	S	*	.	H	α-helix	trans	-62	-44.3	178.3	-176.7	63.4	0	0	0	111.4	M116 S117 S122 K123 L124	M116-L120 WeakPolarHBondContact O-CB 3.47Å; M116-L120 PolarHBondContact O-N 2.92Å; S117-L120 PolarHBondContact O-N 3.45Å; L120-S122 VanDerWaalsContact C-N 3.34Å; L120-S122 PolarHBondContact O-N 2.88Å; L120-K123 PolarHBondContact O-N 3.44Å; L120-L124 WeakPolarHBondContact O-CB 3.35Å; L120-L124 PolarHBondContact O-N 3.39Å
121	N	90.4	Very high	93.2	Very high	83 Å²	83	101.1 Å²	101.1	44%	0.444	52%	0.516	S	S	.	.	H	α-helix	trans	-62	-42	176.7	-73.4	-16.9	0	0	0	111.5	S117 L118 E119 K123 L124 E125	S117-N121 WeakPolarHBondContact O-CB 3.48Å; S117-N121 VanDerWaalsContact O-CG 3.27Å; S117-N121 PolarHBondContact O-N 2.72Å; S117-N121 PolarHBondContact O-ND2 3.37Å; L118-N121 PolarHBondContact O-N 3.33Å; E119-N121 PolarHBondContact O-N 3.43Å; N121-K123 PolarHBondContact O-N 2.65Å; N121-L124 WeakPolarHBondContact O-CB 3.32Å; N121-L124 PolarHBondContact O-N 2.92Å; N121-E125 WeakPolarHBondContact O-CG 3.43Å; N121-E125 PolarHBondContact O-N 3.11Å
122	S	95.2	Very high	93.2	Very high	83 Å²	83	100 Å²	100	58%	0.58	51%	0.513	S	S	*	.	H	α-helix	trans	-60.7	-43.9	175.2	179	0	0	0	0	112.4	L118 E119 L120 L124 E125 S126	L118-S122 PolarHBondContact O-N 3.42Å; E119-S122 WeakPolarHBondContact O-CB 3.24Å; E119-S122 PolarHBondContact O-N 3.42Å; L120-S122 VanDerWaalsContact C-N 3.34Å; L120-S122 PolarHBondContact O-N 2.88Å; S122-L124 VanDerWaalsContact C-N 3.33Å; S122-L124 PolarHBondContact O-N 3.3Å; S122-E125 PolarHBondContact O-N 2.89Å; S122-S126 PolarHBondContact O-N 2.96Å; S122-S126 VanDerWaalsContact O-N 3.14Å
123	K	94.4	Very high	93.2	Very high	118 Å²	118	100.1 Å²	100.1	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-64.1	-37.5	175.2	-78.5	175.4	170.4	161.9	0	112.4	E119 L120 N121 S126 L127	E119-K123 PolarHBondContact O-N 3.07Å; E119-K123 WeakPolarHBondContact OE1-CE 3.49Å; E119-K123 IonicContact OE1-NZ 2.72Å; E119-K123 PolarHBondContact OE1-NZ 3.45Å; L120-K123 PolarHBondContact O-N 3.44Å; N121-K123 PolarHBondContact O-N 2.65Å; K123-S126 PolarHBondContact O-N 2.81Å; K123-L127 WeakPolarHBondContact O-CG 3.49Å; K123-L127 PolarHBondContact O-N 3.02Å
124	L	93.5	Very high	93.2	Very high	94 Å²	94	100.5 Å²	100.5	49%	0.492	52%	0.515	S	S	.	.	H	α-helix	trans	-63.6	-43.9	177.8	-177	64.5	0	0	0	111.6	L120 N121 S122 L127 L128	L120-L124 WeakPolarHBondContact O-CB 3.35Å; L120-L124 PolarHBondContact O-N 3.39Å; N121-L124 WeakPolarHBondContact O-CB 3.32Å; N121-L124 PolarHBondContact O-N 2.92Å; S122-L124 VanDerWaalsContact C-N 3.33Å; S122-L124 PolarHBondContact O-N 3.3Å; L124-L127 PolarHBondContact O-N 3.22Å; L124-L128 HydrophobicContact CG-CD1 4.4Å; L124-L128 PolarHBondContact O-N 3.31Å
125	E	93.1	Very high	93.1	Very high	116 Å²	116	99.1 Å²	99.1	54%	0.542	51%	0.51	S	S	.	.	H	α-helix	trans	-62	-44.3	175.9	-67.3	-60.7	160.8	0	0	111.6	N121 S122 L127 L128 E129	N121-E125 WeakPolarHBondContact O-CG 3.43Å; N121-E125 PolarHBondContact O-N 3.11Å; S122-E125 PolarHBondContact O-N 2.89Å; E125-L127 VanDerWaalsContact C-N 3.34Å; E125-L127 PolarHBondContact O-N 3.46Å; E125-L128 WeakPolarHBondContact O-CB 3.23Å; E125-L128 PolarHBondContact O-N 2.9Å; E125-L128 VanDerWaalsContact O-N 3.14Å; E125-E129 PolarHBondContact O-N 2.96Å
126	S	94.8	Very high	93	Very high	72 Å²	72	100 Å²	100	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-58.3	-44	175.4	-178.4	0	0	0	0	112.6	S122 K123 L128 E129 E130	S122-S126 PolarHBondContact O-N 2.96Å; S122-S126 VanDerWaalsContact O-N 3.14Å; K123-S126 PolarHBondContact O-N 2.81Å; S126-L128 VanDerWaalsContact C-N 3.33Å; S126-L128 PolarHBondContact O-N 3.19Å; S126-E129 PolarHBondContact O-N 3.47Å; S126-E130 PolarHBondContact O-N 3.28Å
127	L	92.2	Very high	93.1	Very high	103 Å²	103	100.3 Å²	100.3	54%	0.539	51%	0.51	S	S	.	.	H	α-helix	trans	-67.3	-33.9	177.1	-73.3	173.2	0	0	0	112.6	K123 L124 E125 E130 K131	K123-L127 WeakPolarHBondContact O-CG 3.49Å; K123-L127 PolarHBondContact O-N 3.02Å; L124-L127 PolarHBondContact O-N 3.22Å; E125-L127 VanDerWaalsContact C-N 3.34Å; E125-L127 PolarHBondContact O-N 3.46Å; L127-E130 PolarHBondContact O-N 2.86Å; L127-K131 VanDerWaalsContact O-CB 3.31Å; L127-K131 WeakPolarHBondContact O-CB 3.45Å; L127-K131 PolarHBondContact O-N 2.96Å
128	L	91.6	Very high	93.1	Very high	76 Å²	76	101.2 Å²	101.2	40%	0.398	51%	0.512	S	S	.	.	H	α-helix	trans	-63.3	-43.7	173.7	-96.5	158	0	0	0	111.2	L124 E125 S126 K131 I132	L124-L128 HydrophobicContact CG-CD1 4.4Å; L124-L128 PolarHBondContact O-N 3.31Å; E125-L128 WeakPolarHBondContact O-CB 3.23Å; E125-L128 PolarHBondContact O-N 2.9Å; E125-L128 VanDerWaalsContact O-N 3.14Å; S126-L128 VanDerWaalsContact C-N 3.33Å; S126-L128 PolarHBondContact O-N 3.19Å; L128-K131 PolarHBondContact O-N 2.96Å; L128-I132 WeakPolarHBondContact O-CG1 3.47Å; L128-I132 PolarHBondContact O-N 3.39Å
129	E	94.8	Very high	93	Very high	140 Å²	140	102.2 Å²	102.2	65%	0.654	51%	0.512	S	S	*	.	H	α-helix	trans	-62.9	-45.5	175	-69.6	-177.3	172.3	0	0	111.8	E125 S126 K131 I132 L133	E125-E129 PolarHBondContact O-N 2.96Å; S126-E129 PolarHBondContact O-N 3.47Å; E129-K131 VanDerWaalsContact C-N 3.33Å; E129-K131 PolarHBondContact O-N 3.22Å; E129-I132 PolarHBondContact O-N 3.35Å; E129-L133 PolarHBondContact O-N 3.48Å
130	E	94.6	Very high	92.9	Very high	103 Å²	103	103.5 Å²	103.5	48%	0.481	51%	0.513	S	S	.	.	H	α-helix	trans	-61.6	-41.7	177.2	-171.8	177.3	-172.8	0	0	111.6	S126 L127 I132 L133 L134	S126-E130 PolarHBondContact O-N 3.28Å; L127-E130 PolarHBondContact O-N 2.86Å; E130-I132 PolarHBondContact O-N 2.71Å; E130-L133 PolarHBondContact O-N 2.9Å; E130-L134 HydrophobicContact CG-CD1 4.23Å; E130-L134 WeakPolarHBondContact O-CG 3.27Å; E130-L134 PolarHBondContact O-N 2.81Å
131	K	90.6	Very high	92.7	Very high	117 Å²	117	103.4 Å²	103.4	51%	0.509	51%	0.513	S	S	.	.	H	α-helix	trans	-58.4	-46.2	174.8	179.2	-172.8	175.1	-175.6	0	111.4	L127 L128 E129 L133 L134 Q135	L127-K131 VanDerWaalsContact O-CB 3.31Å; L127-K131 WeakPolarHBondContact O-CB 3.45Å; L127-K131 PolarHBondContact O-N 2.96Å; L128-K131 PolarHBondContact O-N 2.96Å; E129-K131 VanDerWaalsContact C-N 3.33Å; E129-K131 PolarHBondContact O-N 3.22Å; K131-L133 VanDerWaalsContact C-N 3.32Å; K131-L133 PolarHBondContact O-N 3.16Å; K131-L134 PolarHBondContact O-N 2.92Å; K131-Q135 WeakPolarHBondContact O-CB 3.45Å; K131-Q135 WeakPolarHBondContact O-CG 3.26Å; K131-Q135 PolarHBondContact O-N 3.29Å
132	I	94	Very high	92.5	Very high	86 Å²	86	105.1 Å²	105.1	44%	0.441	52%	0.518	S	S	.	.	H	α-helix	trans	-61.8	-43.4	179.1	-69.1	164.6	0	0	0	110.3	L128 E129 E130 L134 Q135 Q136	L128-I132 WeakPolarHBondContact O-CG1 3.47Å; L128-I132 PolarHBondContact O-N 3.39Å; E129-I132 PolarHBondContact O-N 3.35Å; E130-I132 PolarHBondContact O-N 2.71Å; I132-L134 PolarHBondContact O-N 3.24Å; I132-Q135 PolarHBondContact O-N 2.89Å; I132-Q136 WeakPolarHBondContact O-CG 3.16Å; I132-Q136 PolarHBondContact O-N 2.03Å
133	L	94.8	Very high	92.2	Very high	87 Å²	87	105.6 Å²	105.6	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-61.9	-44.2	177.4	-179.8	66.3	0	0	0	111.9	E129 E130 K131 Q136 K137	E129-L133 PolarHBondContact O-N 3.48Å; E130-L133 PolarHBondContact O-N 2.9Å; K131-L133 VanDerWaalsContact C-N 3.32Å; K131-L133 PolarHBondContact O-N 3.16Å; L133-Q136 PolarHBondContact O-N 3.27Å; L133-K137 PolarHBondContact O-N 3.28Å
134	L	92.4	Very high	91.8	Very high	89 Å²	89	103.8 Å²	103.8	47%	0.466	51%	0.505	S	S	.	.	H	α-helix	trans	-63.5	-42.7	177.2	-73.3	172.3	0	0	0	111.4	E130 K131 I132 Q136 K137 V138	E130-L134 HydrophobicContact CG-CD1 4.23Å; E130-L134 WeakPolarHBondContact O-CG 3.27Å; E130-L134 PolarHBondContact O-N 2.81Å; K131-L134 PolarHBondContact O-N 2.92Å; I132-L134 PolarHBondContact O-N 3.24Å; L134-Q136 VanDerWaalsContact C-N 3.31Å; L134-Q136 PolarHBondContact O-N 3.04Å; L134-K137 PolarHBondContact O-N 3.32Å; L134-V138 WeakPolarHBondContact O-CG2 3.29Å; L134-V138 PolarHBondContact O-N 2.97Å
135	Q	89.1	Confident	91.3	Very high	113 Å²	113	104.3 Å²	104.3	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-59.5	-41.1	175.4	-75.5	178.9	-37.2	0	0	112.1	K131 I132 V138 K139	K131-Q135 WeakPolarHBondContact O-CB 3.45Å; K131-Q135 WeakPolarHBondContact O-CG 3.26Å; K131-Q135 PolarHBondContact O-N 3.29Å; I132-Q135 PolarHBondContact O-N 2.89Å; Q135-V138 PolarHBondContact O-N 3.17Å; Q135-K139 PolarHBondContact O-N 3.26Å
136	Q	93.4	Very high	90.7	Very high	123 Å²	123	102.6 Å²	102.6	58%	0.575	51%	0.505	S	S	*	.	H	α-helix	trans	-64.4	-42	175	-71.4	175.4	-5.2	0	0	112.3	I132 L133 L134 K139 Y140	I132-Q136 WeakPolarHBondContact O-CG 3.16Å; I132-Q136 PolarHBondContact O-N 2.03Å; L133-Q136 PolarHBondContact O-N 3.27Å; L134-Q136 VanDerWaalsContact C-N 3.31Å; L134-Q136 PolarHBondContact O-N 3.04Å; Q136-K139 PolarHBondContact O-N 3.07Å; Q136-Y140 PolarHBondContact O-N 2.96Å
137	K	93.2	Very high	90.1	Very high	117 Å²	117	103 Å²	103	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-63.4	-41.9	176.2	-76.4	-179.9	178.8	175.9	0	112.4	L133 L134 Y140 L141	L133-K137 PolarHBondContact O-N 3.28Å; L134-K137 PolarHBondContact O-N 3.32Å; K137-Y140 PolarHBondContact O-N 2.78Å; K137-L141 WeakPolarHBondContact O-CG 3.29Å; K137-L141 PolarHBondContact O-N 3.4Å
138	V	91.9	Very high	89.4	Confident	77 Å²	77	103.7 Å²	103.7	47%	0.467	51%	0.505	S	S	.	.	H	α-helix	trans	-60.5	-49	176.1	170.4	0	0	0	0	110	L134 Q135 Y140 L141 E142	L134-V138 WeakPolarHBondContact O-CG2 3.29Å; L134-V138 PolarHBondContact O-N 2.97Å; Q135-V138 PolarHBondContact O-N 3.17Å; V138-Y140 VanDerWaalsContact C-N 3.3Å; V138-Y140 PolarHBondContact O-N 2.75Å; V138-L141 PolarHBondContact O-N 2.65Å; V138-L141 VanDerWaalsContact O-N 3.08Å; V138-E142 HydrophobicContact CG1-CG 4.38Å; V138-E142 WeakPolarHBondContact O-CG 3.02Å; V138-E142 PolarHBondContact O-N 3.44Å
139	K	92.1	Very high	88.4	Confident	126 Å²	126	105.2 Å²	105.2	55%	0.548	51%	0.512	S	S	.	.	H	α-helix	trans	-57.6	-42.9	177.4	-171.9	-179.2	177.5	-175.7	0	112.4	Q135 Q136 E142 E143	Q135-K139 PolarHBondContact O-N 3.26Å; Q136-K139 PolarHBondContact O-N 3.07Å; K139-E142 PolarHBondContact O-N 3.42Å; K139-E143 WeakPolarHBondContact CE-OE1 3.25Å; K139-E143 WeakPolarHBondContact O-CG 3.24Å; K139-E143 PolarHBondContact O-N 2.9Å
140	Y	90.4	Very high	87.1	Confident	134 Å²	134	106 Å²	106	53%	0.525	52%	0.516	S	S	.	.	H	α-helix	trans	-62.1	-42.9	175.6	175.2	-98.5	0	0	0	112.4	Q136 K137 V138 E143 Q144	Q136-Y140 PolarHBondContact O-N 2.96Å; K137-Y140 PolarHBondContact O-N 2.78Å; V138-Y140 VanDerWaalsContact C-N 3.3Å; V138-Y140 PolarHBondContact O-N 2.75Å; Y140-E143 PolarHBondContact O-N 3.28Å; Y140-Q144 HydrophobicContact CD1-CG 4.25Å; Y140-Q144 HydrophobicContact CE1-CG 3.77Å; Y140-Q144 HydrophobicContact CE2-CG 4.32Å; Y140-Q144 WeakPolarHBondContact O-CG 3.04Å; Y140-Q144 PolarHBondContact O-N 3.32Å; Y140-Q144 PolarHBondContact OH-NE2 3.47Å
141	L	89.9	Confident	85.6	Confident	114 Å²	114	107.3 Å²	107.3	60%	0.597	53%	0.527	S	S	*	.	H	α-helix	trans	-66.6	-36.9	177.4	-71.3	171.2	0	0	0	112.1	K137 V138 Q144 L145	K137-L141 WeakPolarHBondContact O-CG 3.29Å; K137-L141 PolarHBondContact O-N 3.4Å; V138-L141 PolarHBondContact O-N 2.65Å; V138-L141 VanDerWaalsContact O-N 3.08Å; L141-Q144 PolarHBondContact O-N 3.26Å; L141-L145 WeakPolarHBondContact O-CB 3.37Å; L141-L145 PolarHBondContact O-N 3Å
142	E	86.8	Confident	83.8	Confident	119 Å²	119	108.9 Å²	108.9	56%	0.556	54%	0.536	S	S	*	.	H	α-helix	trans	-61.7	-42.6	172.7	-71.9	173.1	169.8	0	0	111.5	V138 K139 L145 T146	V138-E142 HydrophobicContact CG1-CG 4.38Å; V138-E142 WeakPolarHBondContact O-CG 3.02Å; V138-E142 PolarHBondContact O-N 3.44Å; K139-E142 PolarHBondContact O-N 3.42Å; E142-L145 PolarHBondContact O-N 3.1Å; E142-T146 WeakPolarHBondContact O-CG2 3.42Å; E142-T146 PolarHBondContact O-N 2.71Å; E142-T146 PolarHBondContact O-OG1 3.29Å
143	E	88	Confident	81.8	Confident	94 Å²	94	110 Å²	110	44%	0.439	55%	0.549	S	S	.	.	H	α-helix	trans	-64.3	-38.1	174	-74.4	174.2	-168.6	0	0	112	K139 Y140 T146 N147	K139-E143 WeakPolarHBondContact CE-OE1 3.25Å; K139-E143 WeakPolarHBondContact O-CG 3.24Å; K139-E143 PolarHBondContact O-N 2.9Å; Y140-E143 PolarHBondContact O-N 3.28Å; E143-T146 VanDerWaalsContact CA-OG1 3.29Å; E143-T146 WeakPolarHBondContact CA-OG1 3.33Å; E143-T146 PolarHBondContact O-OG1 2.91Å; E143-N147 WeakPolarHBondContact O-CB 3.41Å; E143-N147 PolarHBondContact O-N 3.48Å; E143-N147 VanDerWaalsContact O-N 3.16Å; E143-N147 PolarHBondContact O-ND2 3.32Å
144	Q	87.8	Confident	79.4	Confident	80 Å²	80	115.4 Å²	115.4	37%	0.374	57%	0.572	S	S	.	*	H	α-helix	trans	-67.4	-41.8	174.3	-70.7	-64.7	-36.6	0	0	112.1	Y140 L141 N147 L148	Y140-Q144 HydrophobicContact CD1-CG 4.25Å; Y140-Q144 HydrophobicContact CE1-CG 3.77Å; Y140-Q144 HydrophobicContact CE2-CG 4.32Å; Y140-Q144 WeakPolarHBondContact O-CG 3.04Å; Y140-Q144 PolarHBondContact O-N 3.32Å; Y140-Q144 PolarHBondContact OH-NE2 3.47Å; L141-Q144 PolarHBondContact O-N 3.26Å; Q144-N147 PolarHBondContact O-N 3.07Å; Q144-L148 WeakPolarHBondContact O-CG 3.41Å; Q144-L148 PolarHBondContact O-N 3.17Å
145	L	82.9	Confident	77.4	Confident	104 Å²	104	116.5 Å²	116.5	55%	0.545	58%	0.582	S	S	.	*	H	α-helix	trans	-64.5	-44.2	178.9	-177.6	63.7	0	0	0	111.5	L141 E142 N147 L148 I149	L141-L145 WeakPolarHBondContact O-CB 3.37Å; L141-L145 PolarHBondContact O-N 3Å; E142-L145 PolarHBondContact O-N 3.1Å; L145-N147 PolarHBondContact O-N 3.01Å; L145-L148 PolarHBondContact O-N 3.41Å; L145-I149 HydrophobicContact CD1-CD1 4.3Å; L145-I149 HydrophobicContact CG-CD1 3.98Å; L145-I149 VanDerWaalsContact O-CG1 3.29Å; L145-I149 WeakPolarHBondContact O-CG1 3.48Å; L145-I149 PolarHBondContact O-N 2.73Å
146	T	80.7	Confident	75.5	Confident	80 Å²	80	117.1 Å²	117.1	49%	0.491	60%	0.596	S	S	.	*	H	α-helix	trans	-62.1	-42.5	176.9	43.1	0	0	0	0	111.9	E142 E143 L148 I149 Q150	E142-T146 WeakPolarHBondContact O-CG2 3.42Å; E142-T146 PolarHBondContact O-N 2.71Å; E142-T146 PolarHBondContact O-OG1 3.29Å; E143-T146 VanDerWaalsContact CA-OG1 3.29Å; E143-T146 WeakPolarHBondContact CA-OG1 3.33Å; E143-T146 PolarHBondContact O-OG1 2.91Å; T146-L148 VanDerWaalsContact C-N 3.35Å; T146-L148 PolarHBondContact O-N 2.87Å; T146-I149 PolarHBondContact O-N 2.99Å; T146-Q150 PolarHBondContact O-N 2.99Å
147	N	81.2	Confident	73.6	Confident	80 Å²	80	116 Å²	116	43%	0.428	59%	0.59	S	S	.	*	H	α-helix	trans	-63.6	-36.2	174.4	-79.3	-55.3	0	0	0	113.2	E143 Q144 L145 N151	E143-N147 WeakPolarHBondContact O-CB 3.41Å; E143-N147 PolarHBondContact O-N 3.48Å; E143-N147 VanDerWaalsContact O-N 3.16Å; E143-N147 PolarHBondContact O-ND2 3.32Å; Q144-N147 PolarHBondContact O-N 3.07Å; L145-N147 PolarHBondContact O-N 3.01Å; N147-N151 PolarHBondContact O-N 2.91Å; N147-N151 PolarHBondContact O-ND2 3Å
148	L	77.1	Confident	72	Confident	119 Å²	119	116.9 Å²	116.9	62%	0.623	60%	0.596	S	S	*	*	H	α-helix	trans	-69.2	-38.3	176	-80.2	164.9	0	0	0	112.3	Q144 L145 T146 Q150 N151	Q144-L148 WeakPolarHBondContact O-CG 3.41Å; Q144-L148 PolarHBondContact O-N 3.17Å; L145-L148 PolarHBondContact O-N 3.41Å; T146-L148 VanDerWaalsContact C-N 3.35Å; T146-L148 PolarHBondContact O-N 2.87Å; L148-Q150 VanDerWaalsContact C-N 3.35Å; L148-N151 PolarHBondContact O-N 2.77Å
149	I	71.8	Confident	70.6	Confident	107 Å²	107	118.1 Å²	118.1	55%	0.549	61%	0.606	S	S	.	*	H	α-helix	trans	-65.7	-39.1	175.9	-68	165.4	0	0	0	110.7	L145 T146 N151	L145-I149 HydrophobicContact CD1-CD1 4.3Å; L145-I149 HydrophobicContact CG-CD1 3.98Å; L145-I149 VanDerWaalsContact O-CG1 3.29Å; L145-I149 WeakPolarHBondContact O-CG1 3.48Å; L145-I149 PolarHBondContact O-N 2.73Å; T146-I149 PolarHBondContact O-N 2.99Å; I149-N151 VanDerWaalsContact C-N 3.28Å; I149-N151 PolarHBondContact O-N 2.82Å
150	Q	66.2	Low	69.1	Low	157 Å²	157	119.6 Å²	119.6	73%	0.734	62%	0.615	S	S	*	*	H	α-helix	trans	-70.3	-20.9	-179.1	-121.2	170.7	-7.4	0	0	114.4	T146 L148	T146-Q150 PolarHBondContact O-N 2.99Å; L148-Q150 VanDerWaalsContact C-N 3.35Å
151	N	63.2	Low	67.8	Low	131 Å²	131	117 Å²	117	70%	0.701	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	9	-176.8	-70.5	-54	0	0	0	113.6	N147 L148 I149	N147-N151 PolarHBondContact O-N 2.91Å; N147-N151 PolarHBondContact O-ND2 3Å; L148-N151 PolarHBondContact O-N 2.77Å; I149-N151 VanDerWaalsContact C-N 3.28Å; I149-N151 PolarHBondContact O-N 2.82Å
152	Q	53.8	Low	66.7	Low	150 Å²	150	114.7 Å²	114.7	70%	0.701	60%	0.603	S	S	*	*	S	Bend	trans	-76.6	131.8	170.2	-91.2	-178.1	-13.3	0	0	110.8
153	P	51.2	Low	66.1	Low	110 Å²	110	112.7 Å²	112.7	71%	0.714	60%	0.602	S	S	*	*			trans	-68.2	133.8	173.3	28.1	-31.5	0	0	0	109.8	T155	P153-T155 PolarHBondContact O-N 3.37Å
154	E	45.2	Very low	65.4	Low	200 Å²	200	113.7 Å²	113.7	94%	0.935	61%	0.61	S	S	*	*			trans	-56.2	103.7	172.1	-71.1	-179.8	161.1	0	0	110.1
155	T	50.2	Low	64.9	Low	112 Å²	112	115 Å²	115	69%	0.687	61%	0.614	S	S	*	*			trans	-91	148.3	161.5	35.3	0	0	0	0	109.4	P153 E157	P153-T155 PolarHBondContact O-N 3.37Å; T155-E157 PolarHBondContact O-N 2.77Å
156	P	49.1	Very low	64.6	Low	125 Å²	125	113.3 Å²	113.3	81%	0.812	61%	0.611	S	S	*	*			trans	-63.3	112.8	-174.7	-13.5	27.4	0	0	0	109.9	H158	P156-H158 PolarHBondContact O-N 2.91Å
157	E	52.8	Low	64.6	Low	99 Å²	99	114.9 Å²	114.9	46%	0.463	61%	0.612	S	S	.	*			trans	-64.4	129.5	-178.8	-73.8	-173.1	173.9	0	0	110.8	T155 T162 K165	T155-E157 PolarHBondContact O-N 2.77Å; E157-T162 PolarHBondContact OE2-OG1 3.11Å; E157-K165 IonicContact OE1-NZ 3.02Å; E157-K165 PolarHBondContact OE1-NZ 3.3Å
158	H	59	Low	64.5	Low	136 Å²	136	115.1 Å²	115.1	63%	0.63	62%	0.616	S	S	*	*			trans	-67.4	141.7	164.6	-92.2	-86.6	0	0	0	109.7	P156 E160 V161	P156-H158 PolarHBondContact O-N 2.91Å; H158-E160 PolarHBondContact O-N 2.87Å; H158-V161 HydrophobicContact CB-CG2 4.25Å; H158-V161 WeakPolarHBondContact O-CB 3.23Å; H158-V161 PolarHBondContact O-N 2.84Å
159	P	62.6	Low	64.7	Low	103 Å²	103	115 Å²	115	67%	0.669	61%	0.612	S	S	*	*	H	α-helix	trans	-59.1	-21.4	-175.1	20.1	-31.2	0	0	0	114.8	S163	P159-S163 PolarHBondContact O-N 3.16Å
160	E	62.4	Low	65.4	Low	158 Å²	158	117.3 Å²	117.3	74%	0.738	62%	0.618	S	S	*	*	H	α-helix	trans	-72.7	-31.8	174.3	-70.1	169.1	161.4	0	0	112.7	H158 L164	H158-E160 PolarHBondContact O-N 2.87Å; E160-L164 PolarHBondContact O-N 3.44Å
161	V	62.2	Low	66.3	Low	78 Å²	78	114.9 Å²	114.9	47%	0.473	61%	0.607	S	S	.	*	H	α-helix	trans	-73.1	-39.9	179.4	-178.4	0	0	0	0	110.5	H158 S163 L164 K165	H158-V161 HydrophobicContact CB-CG2 4.25Å; H158-V161 WeakPolarHBondContact O-CB 3.23Å; H158-V161 PolarHBondContact O-N 2.84Å; V161-S163 VanDerWaalsContact C-N 3.34Å; V161-L164 PolarHBondContact O-N 2.95Å; V161-K165 VanDerWaalsContact O-CB 3.32Å; V161-K165 WeakPolarHBondContact O-CB 3.49Å; V161-K165 PolarHBondContact O-N 3.48Å
162	T	66.9	Low	67.3	Low	67 Å²	67	112.1 Å²	112.1	41%	0.411	59%	0.592	S	S	.	*	H	α-helix	trans	-66.5	-37.1	175.9	-42.1	0	0	0	0	111.5	E157 K165 S166	E157-T162 PolarHBondContact OE2-OG1 3.11Å; T162-K165 PolarHBondContact O-N 3.14Å; T162-S166 PolarHBondContact O-N 3.13Å
163	S	73.8	Confident	68.7	Low	76 Å²	76	109.7 Å²	109.7	53%	0.531	58%	0.584	S	S	.	*	H	α-helix	trans	-62.5	-47.1	171.8	-176.2	0	0	0	0	111.6	P159 V161 K165 S166 F167	P159-S163 PolarHBondContact O-N 3.16Å; V161-S163 VanDerWaalsContact C-N 3.34Å; S163-K165 PolarHBondContact O-N 2.69Å; S163-S166 PolarHBondContact O-N 2.95Å; S163-S166 PolarHBondContact O-OG 3.26Å; S163-F167 PolarHBondContact O-N 3.34Å
164	L	73.8	Confident	70.5	Confident	116 Å²	116	107.7 Å²	107.7	61%	0.607	57%	0.572	S	S	*	*	H	α-helix	trans	-64.3	-39.7	178.4	-152.3	76.8	0	0	0	112.2	E160 V161 F167 V168	E160-L164 PolarHBondContact O-N 3.44Å; V161-L164 PolarHBondContact O-N 2.95Å; L164-F167 WeakPolarHBondContact O-CB 3.35Å; L164-F167 PolarHBondContact O-N 3.23Å; L164-V168 VanDerWaalsContact O-CG2 3.32Å; L164-V168 WeakPolarHBondContact O-CG2 3.32Å; L164-V168 PolarHBondContact O-N 3.41Å
165	K	76.8	Confident	72.4	Confident	106 Å²	106	102.5 Å²	102.5	46%	0.461	55%	0.55	S	S	.	*	H	α-helix	trans	-59.9	-45.8	174.8	-169.3	177.7	-170.9	175.8	0	111.6	E157 V161 T162 S163 F167 V168 E169	E157-K165 IonicContact OE1-NZ 3.02Å; E157-K165 PolarHBondContact OE1-NZ 3.3Å; V161-K165 VanDerWaalsContact O-CB 3.32Å; V161-K165 WeakPolarHBondContact O-CB 3.49Å; V161-K165 PolarHBondContact O-N 3.48Å; T162-K165 PolarHBondContact O-N 3.14Å; S163-K165 PolarHBondContact O-N 2.69Å; K165-F167 VanDerWaalsContact C-N 3.29Å; K165-F167 PolarHBondContact O-N 2.76Å; K165-V168 PolarHBondContact O-N 2.64Å; K165-E169 PolarHBondContact O-N 3.24Å
166	S	76.3	Confident	74.2	Confident	69 Å²	69	102.8 Å²	102.8	48%	0.483	54%	0.542	S	S	.	.	H	α-helix	trans	-63.4	-34.4	175.7	78.3	0	0	0	0	112.8	T162 S163 K170	T162-S166 PolarHBondContact O-N 3.13Å; S163-S166 PolarHBondContact O-N 2.95Å; S163-S166 PolarHBondContact O-OG 3.26Å; S166-K170 WeakPolarHBondContact O-CB 3.4Å; S166-K170 PolarHBondContact O-N 3.08Å
167	F	82.1	Confident	76.1	Confident	113 Å²	113	102 Å²	102	50%	0.496	53%	0.531	S	S	.	.	H	α-helix	trans	-71.2	-42.3	176.4	-175.6	-95.1	0	0	0	111.9	S163 L164 K165 K170 Q171	S163-F167 PolarHBondContact O-N 3.34Å; L164-F167 WeakPolarHBondContact O-CB 3.35Å; L164-F167 PolarHBondContact O-N 3.23Å; K165-F167 VanDerWaalsContact C-N 3.29Å; K165-F167 PolarHBondContact O-N 2.76Å; F167-K170 PolarHBondContact O-N 2.87Å; F167-Q171 HydrophobicContact CD1-CG 4.4Å; F167-Q171 HydrophobicContact CE1-CG 3.97Å; F167-Q171 HydrophobicContact CZ-CG 4.25Å; F167-Q171 PolarHBondContact O-N 2.94Å
168	V	79.1	Confident	77.7	Confident	85 Å²	85	102.3 Å²	102.3	52%	0.515	54%	0.535	S	S	.	.	H	α-helix	trans	-65	-43.8	176.6	172.3	0	0	0	0	111	L164 K165 K170 Q171 D172	L164-V168 VanDerWaalsContact O-CG2 3.32Å; L164-V168 WeakPolarHBondContact O-CG2 3.32Å; L164-V168 PolarHBondContact O-N 3.41Å; K165-V168 PolarHBondContact O-N 2.64Å; V168-K170 VanDerWaalsContact C-N 3.29Å; V168-K170 PolarHBondContact O-N 3.44Å; V168-Q171 PolarHBondContact O-N 3.46Å; V168-D172 PolarHBondContact O-N 3.36Å
169	E	80.6	Confident	79	Confident	117 Å²	117	101.3 Å²	101.3	55%	0.547	53%	0.534	S	S	.	.	H	α-helix	trans	-60.9	-38.5	173.6	-79.4	-178.6	164.2	0	0	112	K165 D172 N173	K165-E169 PolarHBondContact O-N 3.24Å; E169-D172 PolarHBondContact O-N 3.46Å; E169-N173 WeakPolarHBondContact O-CB 3.47Å; E169-N173 VanDerWaalsContact O-CG 3.31Å; E169-N173 PolarHBondContact O-N 2.93Å; E169-N173 PolarHBondContact O-ND2 3.13Å
170	K	86.1	Confident	80.2	Confident	156 Å²	156	102.1 Å²	102.1	68%	0.678	53%	0.529	S	S	*	.	H	α-helix	trans	-66.2	-39.8	176.1	-168	176.1	-177.4	179.6	0	112	S166 F167 V168 S174	S166-K170 WeakPolarHBondContact O-CB 3.4Å; S166-K170 PolarHBondContact O-N 3.08Å; F167-K170 PolarHBondContact O-N 2.87Å; V168-K170 VanDerWaalsContact C-N 3.29Å; V168-K170 PolarHBondContact O-N 3.44Å; K170-S174 PolarHBondContact O-N 3.02Å; K170-S174 VanDerWaalsContact O-N 3.14Å
171	Q	85.3	Confident	81.5	Confident	106 Å²	106	97.3 Å²	97.3	50%	0.495	51%	0.51	S	S	.	.	H	α-helix	trans	-67.6	-41.8	174.5	-77.8	-162.8	-34	0	0	112.3	F167 V168 N173 S174 I175	F167-Q171 HydrophobicContact CD1-CG 4.4Å; F167-Q171 HydrophobicContact CE1-CG 3.97Å; F167-Q171 HydrophobicContact CZ-CG 4.25Å; F167-Q171 PolarHBondContact O-N 2.94Å; V168-Q171 PolarHBondContact O-N 3.46Å; Q171-N173 VanDerWaalsContact C-N 3.35Å; Q171-N173 PolarHBondContact O-N 3.49Å; Q171-S174 WeakPolarHBondContact O-CB 3.42Å; Q171-S174 PolarHBondContact O-N 2.9Å; Q171-S174 VanDerWaalsContact O-N 3.14Å; Q171-I175 VanDerWaalsContact O-CG1 3.32Å; Q171-I175 WeakPolarHBondContact O-CG1 3.41Å; Q171-I175 PolarHBondContact O-N 2.83Å
172	D	83.3	Confident	82.7	Confident	73 Å²	73	97.7 Å²	97.7	39%	0.39	51%	0.513	S	S	.	.	H	α-helix	trans	-60.7	-43.9	177.9	-173	64	0	0	0	111.7	V168 E169 S174 I175 K176	V168-D172 PolarHBondContact O-N 3.36Å; E169-D172 PolarHBondContact O-N 3.46Å; D172-S174 VanDerWaalsContact C-N 3.33Å; D172-S174 PolarHBondContact O-N 3.41Å; D172-I175 PolarHBondContact O-N 3.49Å; D172-K176 PolarHBondContact O-N 3.42Å; D172-K176 WeakPolarHBondContact OD2-CE 3.48Å; D172-K176 IonicContact OD2-NZ 2.71Å; D172-K176 PolarHBondContact OD2-NZ 3.33Å
173	N	84.4	Confident	83.7	Confident	99 Å²	99	99.7 Å²	99.7	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-63	-38.7	174.6	-72.2	-36.2	0	0	0	112.2	E169 Q171 K176 D177	E169-N173 WeakPolarHBondContact O-CB 3.47Å; E169-N173 VanDerWaalsContact O-CG 3.31Å; E169-N173 PolarHBondContact O-N 2.93Å; E169-N173 PolarHBondContact O-ND2 3.13Å; Q171-N173 VanDerWaalsContact C-N 3.35Å; Q171-N173 PolarHBondContact O-N 3.49Å; N173-K176 PolarHBondContact O-N 3.11Å; N173-D177 PolarHBondContact O-N 2.91Å; N173-D177 VanDerWaalsContact O-N 3.12Å
174	S	88.7	Confident	84.4	Confident	67 Å²	67	101.3 Å²	101.3	47%	0.469	52%	0.516	S	S	.	.	H	α-helix	trans	-67.8	-35.5	176.2	-166.3	0	0	0	0	112.7	K170 Q171 D172 L178	K170-S174 PolarHBondContact O-N 3.02Å; K170-S174 VanDerWaalsContact O-N 3.14Å; Q171-S174 WeakPolarHBondContact O-CB 3.42Å; Q171-S174 PolarHBondContact O-N 2.9Å; Q171-S174 VanDerWaalsContact O-N 3.14Å; D172-S174 VanDerWaalsContact C-N 3.33Å; D172-S174 PolarHBondContact O-N 3.41Å; S174-L178 PolarHBondContact O-N 2.87Å; S174-L178 VanDerWaalsContact O-N 3.1Å
175	I	85.6	Confident	85.1	Confident	92 Å²	92	101.5 Å²	101.5	47%	0.472	51%	0.514	S	S	.	.	H	α-helix	trans	-68.9	-41.6	176.8	-69.7	165.8	0	0	0	110.3	Q171 D172 D177 L178 L179	Q171-I175 VanDerWaalsContact O-CG1 3.32Å; Q171-I175 WeakPolarHBondContact O-CG1 3.41Å; Q171-I175 PolarHBondContact O-N 2.83Å; D172-I175 PolarHBondContact O-N 3.49Å; I175-D177 VanDerWaalsContact C-N 3.35Å; I175-D177 PolarHBondContact O-N 3.48Å; I175-L178 PolarHBondContact O-N 2.71Å; I175-L179 HydrophobicContact CG2-CD1 4.06Å; I175-L179 HydrophobicContact CG2-CG 4.45Å; I175-L179 WeakPolarHBondContact O-CG 3.43Å; I175-L179 PolarHBondContact O-N 2.84Å
176	K	87.4	Confident	85.5	Confident	117 Å²	117	103.4 Å²	103.4	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-59.4	-44.6	174.9	-78.6	170.1	175.6	153.3	0	112.2	D172 N173 L179 Q180	D172-K176 PolarHBondContact O-N 3.42Å; D172-K176 WeakPolarHBondContact OD2-CE 3.48Å; D172-K176 IonicContact OD2-NZ 2.71Å; D172-K176 PolarHBondContact OD2-NZ 3.33Å; N173-K176 PolarHBondContact O-N 3.11Å; K176-L179 PolarHBondContact O-N 2.66Å; K176-Q180 WeakPolarHBondContact O-CB 3.4Å; K176-Q180 PolarHBondContact O-N 2.85Å
177	D	88.9	Confident	86.1	Confident	108 Å²	108	105.9 Å²	105.9	58%	0.578	52%	0.521	S	S	*	.	H	α-helix	trans	-63.7	-41.7	178.2	-163.6	53.2	0	0	0	112.1	N173 I175 Q180 T181	N173-D177 PolarHBondContact O-N 2.91Å; N173-D177 VanDerWaalsContact O-N 3.12Å; I175-D177 VanDerWaalsContact C-N 3.35Å; I175-D177 PolarHBondContact O-N 3.48Å; D177-Q180 PolarHBondContact O-N 3.48Å; D177-T181 WeakPolarHBondContact O-CB 3.3Å; D177-T181 PolarHBondContact O-N 3.07Å; D177-T181 PolarHBondContact O-OG1 2.95Å
178	L	87.3	Confident	86.5	Confident	107 Å²	107	106.6 Å²	106.6	56%	0.56	53%	0.527	S	S	*	.	H	α-helix	trans	-62.6	-44.9	174.2	-86.4	160.5	0	0	0	112.4	S174 I175 Q180 T181 V182	S174-L178 PolarHBondContact O-N 2.87Å; S174-L178 VanDerWaalsContact O-N 3.1Å; I175-L178 PolarHBondContact O-N 2.71Å; L178-Q180 VanDerWaalsContact C-N 3.33Å; L178-Q180 PolarHBondContact O-N 2.74Å; L178-T181 WeakPolarHBondContact O-CB 3.35Å; L178-T181 PolarHBondContact O-N 3.34Å; L178-V182 WeakPolarHBondContact O-CG2 3.4Å; L178-V182 PolarHBondContact O-N 2.84Å
179	L	85	Confident	86.9	Confident	115 Å²	115	107.6 Å²	107.6	60%	0.602	53%	0.528	S	S	*	.	H	α-helix	trans	-63	-40.8	178.1	-75.4	172.2	0	0	0	111.8	I175 K176 V182 E183	I175-L179 HydrophobicContact CG2-CD1 4.06Å; I175-L179 HydrophobicContact CG2-CG 4.45Å; I175-L179 WeakPolarHBondContact O-CG 3.43Å; I175-L179 PolarHBondContact O-N 2.84Å; K176-L179 PolarHBondContact O-N 2.66Å; L179-V182 PolarHBondContact O-N 3.18Å; L179-E183 PolarHBondContact O-N 3.28Å
180	Q	89.3	Confident	87	Confident	119 Å²	119	105.3 Å²	105.3	56%	0.556	52%	0.52	S	S	*	.	H	α-helix	trans	-65.3	-41.3	176.5	-174.1	148.4	-9.6	0	0	111.8	K176 D177 L178 V182 E183 E184	K176-Q180 WeakPolarHBondContact O-CB 3.4Å; K176-Q180 PolarHBondContact O-N 2.85Å; D177-Q180 PolarHBondContact O-N 3.48Å; L178-Q180 VanDerWaalsContact C-N 3.33Å; L178-Q180 PolarHBondContact O-N 2.74Å; Q180-V182 VanDerWaalsContact C-N 3.34Å; Q180-V182 PolarHBondContact O-N 2.92Å; Q180-E183 PolarHBondContact O-N 2.98Å; Q180-E184 PolarHBondContact O-N 2.78Å
181	T	87.9	Confident	87.1	Confident	58 Å²	58	103.7 Å²	103.7	36%	0.356	52%	0.515	S	S	.	.	H	α-helix	trans	-59.9	-43.3	174.3	-57.4	0	0	0	0	111.6	D177 L178 E184 Q185	D177-T181 WeakPolarHBondContact O-CB 3.3Å; D177-T181 PolarHBondContact O-N 3.07Å; D177-T181 PolarHBondContact O-OG1 2.95Å; L178-T181 WeakPolarHBondContact O-CB 3.35Å; L178-T181 PolarHBondContact O-N 3.34Å; T181-E184 PolarHBondContact O-N 3.49Å; T181-Q185 WeakPolarHBondContact O-CG 3.43Å; T181-Q185 PolarHBondContact O-N 2.82Å
182	V	87.9	Confident	87.2	Confident	86 Å²	86	104.1 Å²	104.1	52%	0.521	52%	0.517	S	S	.	.	H	α-helix	trans	-64.6	-40.3	178	170.3	0	0	0	0	111.4	L178 L179 Q180 Q185 Y186	L178-V182 WeakPolarHBondContact O-CG2 3.4Å; L178-V182 PolarHBondContact O-N 2.84Å; L179-V182 PolarHBondContact O-N 3.18Å; Q180-V182 VanDerWaalsContact C-N 3.34Å; Q180-V182 PolarHBondContact O-N 2.92Å; V182-Q185 PolarHBondContact O-N 2.78Å; V182-Y186 WeakPolarHBondContact O-CB 3.33Å; V182-Y186 PolarHBondContact O-N 3.3Å
183	E	88.8	Confident	87.3	Confident	109 Å²	109	106.6 Å²	106.6	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-65.6	-40.2	177.3	-165.6	-173.5	149	0	0	111.9	L179 Q180 Y186 K187	L179-E183 PolarHBondContact O-N 3.28Å; Q180-E183 PolarHBondContact O-N 2.98Å; E183-Y186 PolarHBondContact O-N 3.47Å; E183-K187 PolarHBondContact O-N 3.21Å; E183-K187 WeakPolarHBondContact OE1-CE 3.36Å; E183-K187 IonicContact OE1-NZ 2.76Å; E183-K187 PolarHBondContact OE1-NZ 2.87Å
184	E	88.8	Confident	87.2	Confident	109 Å²	109	105.4 Å²	105.4	51%	0.509	53%	0.525	S	S	.	.	H	α-helix	trans	-66.1	-41.6	175.4	-84.2	170.3	176.8	0	0	112.4	Q180 T181 Y186 K187 Q188	Q180-E184 PolarHBondContact O-N 2.78Å; T181-E184 PolarHBondContact O-N 3.49Å; E184-Y186 VanDerWaalsContact C-N 3.31Å; E184-Y186 PolarHBondContact O-N 3.08Å; E184-K187 PolarHBondContact O-N 3.4Å; E184-Q188 PolarHBondContact O-N 3.22Å
185	Q	88.3	Confident	87.1	Confident	120 Å²	120	107.5 Å²	107.5	56%	0.561	53%	0.528	S	S	*	.	H	α-helix	trans	-60.4	-41.4	173.1	-76.1	-174.9	-22	0	0	111.7	T181 V182 K187 Q188 L189	T181-Q185 WeakPolarHBondContact O-CG 3.43Å; T181-Q185 PolarHBondContact O-N 2.82Å; V182-Q185 PolarHBondContact O-N 2.78Å; Q185-K187 PolarHBondContact O-N 2.93Å; Q185-Q188 PolarHBondContact O-N 2.91Å; Q185-L189 WeakPolarHBondContact O-CB 3.38Å; Q185-L189 PolarHBondContact O-N 2.81Å
186	Y	84.3	Confident	87	Confident	147 Å²	147	107.4 Å²	107.4	58%	0.576	53%	0.527	S	S	*	.	H	α-helix	trans	-64	-40	176.9	-172.7	-101.2	0	0	0	112.3	V182 E183 E184 L189 N190	V182-Y186 WeakPolarHBondContact O-CB 3.33Å; V182-Y186 PolarHBondContact O-N 3.3Å; E183-Y186 PolarHBondContact O-N 3.47Å; E184-Y186 VanDerWaalsContact C-N 3.31Å; E184-Y186 PolarHBondContact O-N 3.08Å; Y186-L189 PolarHBondContact O-N 2.85Å; Y186-N190 WeakPolarHBondContact CE1-ND2 3.36Å; Y186-N190 PolarHBondContact O-N 2.87Å
187	K	89.3	Confident	86.8	Confident	120 Å²	120	107.9 Å²	107.9	52%	0.522	53%	0.529	S	S	.	.	H	α-helix	trans	-62.9	-45	174	-75.8	174.2	-173.6	157.2	0	111.8	E183 E184 Q185 N190 Q191	E183-K187 PolarHBondContact O-N 3.21Å; E183-K187 WeakPolarHBondContact OE1-CE 3.36Å; E183-K187 IonicContact OE1-NZ 2.76Å; E183-K187 PolarHBondContact OE1-NZ 2.87Å; E184-K187 PolarHBondContact O-N 3.4Å; Q185-K187 PolarHBondContact O-N 2.93Å; K187-N190 PolarHBondContact O-N 2.8Å; K187-Q191 WeakPolarHBondContact O-CB 3.09Å; K187-Q191 PolarHBondContact O-N 3.04Å; K187-Q191 VanDerWaalsContact O-N 3.07Å
188	Q	89.7	Confident	86.5	Confident	129 Å²	129	108.7 Å²	108.7	60%	0.603	53%	0.529	S	S	*	.	H	α-helix	trans	-61.3	-44.3	176.3	-81.3	-174.6	-14.8	0	0	112.2	E184 Q185 N190 Q191 Q192	E184-Q188 PolarHBondContact O-N 3.22Å; Q185-Q188 PolarHBondContact O-N 2.91Å; Q188-N190 PolarHBondContact O-N 2.68Å; Q188-Q191 WeakPolarHBondContact O-CB 3.3Å; Q188-Q191 PolarHBondContact O-N 3.49Å; Q188-Q192 PolarHBondContact O-N 3.36Å
189	L	87.5	Confident	86.1	Confident	105 Å²	105	108.2 Å²	108.2	55%	0.55	53%	0.527	S	S	.	.	H	α-helix	trans	-62.8	-43.4	-179.8	-170.6	69.9	0	0	0	111.8	Q185 Y186 Q191 Q192 H193	Q185-L189 WeakPolarHBondContact O-CB 3.38Å; Q185-L189 PolarHBondContact O-N 2.81Å; Y186-L189 PolarHBondContact O-N 2.85Å; L189-Q191 VanDerWaalsContact C-N 3.3Å; L189-Q191 PolarHBondContact O-N 3.15Å; L189-Q192 PolarHBondContact O-N 2.84Å; L189-H193 WeakPolarHBondContact O-CB 3.3Å; L189-H193 PolarHBondContact O-N 3.45Å
190	N	83.3	Confident	85.6	Confident	69 Å²	69	108.1 Å²	108.1	37%	0.369	52%	0.523	S	S	.	.	H	α-helix	trans	-64.2	-35.5	176.1	-79.3	-21.1	0	0	0	112.6	Y186 K187 Q188 H193 S194	Y186-N190 WeakPolarHBondContact CE1-ND2 3.36Å; Y186-N190 PolarHBondContact O-N 2.87Å; K187-N190 PolarHBondContact O-N 2.8Å; Q188-N190 PolarHBondContact O-N 2.68Å; N190-H193 PolarHBondContact O-N 3.04Å; N190-S194 PolarHBondContact O-N 2.81Å; N190-S194 PolarHBondContact O-OG 2.53Å
191	Q	88.4	Confident	84.9	Confident	123 Å²	123	106.8 Å²	106.8	58%	0.575	52%	0.52	S	S	*	.	H	α-helix	trans	-67.7	-43.3	176	-166.2	172.8	1.8	0	0	111.3	K187 Q188 L189 S194 Q195	K187-Q191 WeakPolarHBondContact O-CB 3.09Å; K187-Q191 PolarHBondContact O-N 3.04Å; K187-Q191 VanDerWaalsContact O-N 3.07Å; Q188-Q191 WeakPolarHBondContact O-CB 3.3Å; Q188-Q191 PolarHBondContact O-N 3.49Å; L189-Q191 VanDerWaalsContact C-N 3.3Å; L189-Q191 PolarHBondContact O-N 3.15Å; Q191-S194 PolarHBondContact O-N 3.1Å; Q191-Q195 WeakPolarHBondContact O-CG 3.3Å; Q191-Q195 PolarHBondContact O-N 2.91Å
192	Q	87.9	Confident	84.5	Confident	115 Å²	115	109.9 Å²	109.9	54%	0.537	53%	0.53	S	S	.	.	H	α-helix	trans	-61.3	-43.4	173.4	-73.2	-176.8	-30.4	0	0	111.8	Q188 L189 S194 Q195 I196	Q188-Q192 PolarHBondContact O-N 3.36Å; L189-Q192 PolarHBondContact O-N 2.84Å; Q192-S194 VanDerWaalsContact C-N 3.29Å; Q192-S194 PolarHBondContact O-N 3.23Å; Q192-Q195 PolarHBondContact O-N 3.01Å; Q192-I196 WeakPolarHBondContact O-CG1 3.36Å; Q192-I196 PolarHBondContact O-N 3.39Å
193	H	83.7	Confident	83.7	Confident	124 Å²	124	111.2 Å²	111.2	57%	0.574	53%	0.534	S	S	*	.	H	α-helix	trans	-61.3	-38.7	177.8	-166.8	74.1	0	0	0	112.2	L189 N190 I196 K197	L189-H193 WeakPolarHBondContact O-CB 3.3Å; L189-H193 PolarHBondContact O-N 3.45Å; N190-H193 PolarHBondContact O-N 3.04Å; H193-I196 PolarHBondContact O-N 2.92Å; H193-K197 WeakPolarHBondContact O-CB 3.38Å; H193-K197 PolarHBondContact O-N 3.05Å; H193-K197 VanDerWaalsContact O-N 3.08Å
194	S	82.4	Confident	82.8	Confident	75 Å²	75	115.8 Å²	115.8	52%	0.524	55%	0.546	S	S	.	.	H	α-helix	trans	-67.1	-40.1	176.2	-57.7	0	0	0	0	112.1	N190 Q191 Q192 K197 E198	N190-S194 PolarHBondContact O-N 2.81Å; N190-S194 PolarHBondContact O-OG 2.53Å; Q191-S194 PolarHBondContact O-N 3.1Å; Q192-S194 VanDerWaalsContact C-N 3.29Å; Q192-S194 PolarHBondContact O-N 3.23Å; S194-K197 PolarHBondContact O-N 3.13Å; S194-E198 PolarHBondContact O-N 2.91Å
195	Q	87.3	Confident	81.3	Confident	111 Å²	111	118.4 Å²	118.4	52%	0.519	56%	0.56	S	S	.	*	H	α-helix	trans	-64.4	-42.8	175.2	-73.3	177.6	-12.1	0	0	112.3	Q191 Q192 K197 E198 I199	Q191-Q195 WeakPolarHBondContact O-CG 3.3Å; Q191-Q195 PolarHBondContact O-N 2.91Å; Q192-Q195 PolarHBondContact O-N 3.01Å; Q195-K197 VanDerWaalsContact C-N 3.31Å; Q195-K197 PolarHBondContact O-N 3.37Å; Q195-E198 PolarHBondContact O-N 3.21Å; Q195-I199 WeakPolarHBondContact O-CG1 3.28Å; Q195-I199 PolarHBondContact O-N 3.44Å
196	I	83.2	Confident	79.8	Confident	89 Å²	89	117.8 Å²	117.8	46%	0.456	57%	0.565	S	S	.	*	H	α-helix	trans	-59.2	-46.6	175.9	-69.4	166.1	0	0	0	110	Q192 H193 E198 I199 E200	Q192-I196 WeakPolarHBondContact O-CG1 3.36Å; Q192-I196 PolarHBondContact O-N 3.39Å; H193-I196 PolarHBondContact O-N 2.92Å; I196-E198 VanDerWaalsContact C-N 3.26Å; I196-E198 PolarHBondContact O-N 2.81Å; I196-I199 PolarHBondContact O-N 3.24Å; I196-E200 HydrophobicContact CG2-CG 4.35Å; I196-E200 WeakPolarHBondContact O-CB 3.3Å; I196-E200 WeakPolarHBondContact O-CG 3.49Å; I196-E200 PolarHBondContact O-N 3.04Å
197	K	83.3	Confident	78.1	Confident	128 Å²	128	117.7 Å²	117.7	56%	0.557	57%	0.574	S	S	*	*	H	α-helix	trans	-61.6	-34.7	178.4	-164.9	175	-174.7	176.3	0	112.7	H193 S194 Q195 N201	H193-K197 WeakPolarHBondContact O-CB 3.38Å; H193-K197 PolarHBondContact O-N 3.05Å; H193-K197 VanDerWaalsContact O-N 3.08Å; S194-K197 PolarHBondContact O-N 3.13Å; Q195-K197 VanDerWaalsContact C-N 3.31Å; Q195-K197 PolarHBondContact O-N 3.37Å; K197-N201 WeakPolarHBondContact O-CB 3.37Å; K197-N201 VanDerWaalsContact O-CG 3.27Å; K197-N201 PolarHBondContact O-N 3.35Å; K197-N201 VanDerWaalsContact O-N 3.1Å; K197-N201 PolarHBondContact O-ND2 3.36Å
198	E	83.4	Confident	76	Confident	124 Å²	124	119 Å²	119	58%	0.579	59%	0.585	S	S	*	*	H	α-helix	trans	-72.3	-41.5	175.7	-171.4	150.4	-170.6	0	0	112.3	S194 Q195 I196 N201 Q202	S194-E198 PolarHBondContact O-N 2.91Å; Q195-E198 PolarHBondContact O-N 3.21Å; I196-E198 VanDerWaalsContact C-N 3.26Å; I196-E198 PolarHBondContact O-N 2.81Å; E198-N201 PolarHBondContact O-N 2.75Å; E198-Q202 WeakPolarHBondContact O-CG 3.48Å; E198-Q202 PolarHBondContact O-N 3.16Å
199	I	79.5	Confident	73.4	Confident	98 Å²	98	120.5 Å²	120.5	50%	0.503	59%	0.593	S	S	.	*	H	α-helix	trans	-62.6	-42.9	173.7	-67.7	166.1	0	0	0	110.9	Q195 I196 N201 Q202 L203	Q195-I199 WeakPolarHBondContact O-CG1 3.28Å; Q195-I199 PolarHBondContact O-N 3.44Å; I196-I199 PolarHBondContact O-N 3.24Å; I199-N201 VanDerWaalsContact C-N 3.31Å; I199-N201 PolarHBondContact O-N 3.42Å; I199-Q202 PolarHBondContact O-N 3.04Å; I199-L203 HydrophobicContact CG2-CD1 3.93Å; I199-L203 HydrophobicContact CG2-CG 4.46Å; I199-L203 WeakPolarHBondContact O-CB 3.47Å; I199-L203 WeakPolarHBondContact O-CG 3.41Å; I199-L203 PolarHBondContact O-N 3.18Å
200	E	74.2	Confident	71.2	Confident	112 Å²	112	124.5 Å²	124.5	52%	0.523	61%	0.609	S	S	.	*	H	α-helix	trans	-60.3	-40.5	175	-76	178.6	166.3	0	0	112	I196 L203 R204	I196-E200 HydrophobicContact CG2-CG 4.35Å; I196-E200 WeakPolarHBondContact O-CB 3.3Å; I196-E200 WeakPolarHBondContact O-CG 3.49Å; I196-E200 PolarHBondContact O-N 3.04Å; E200-L203 PolarHBondContact O-N 3.18Å; E200-R204 PolarHBondContact O-N 3.39Å
201	N	73.3	Confident	69	Low	91 Å²	91	125.8 Å²	125.8	49%	0.487	62%	0.621	S	S	.	*	H	α-helix	trans	-68.3	-38.5	175.1	-76.6	-25.5	0	0	0	112.1	K197 E198 I199 R204 M205	K197-N201 WeakPolarHBondContact O-CB 3.37Å; K197-N201 VanDerWaalsContact O-CG 3.27Å; K197-N201 PolarHBondContact O-N 3.35Å; K197-N201 VanDerWaalsContact O-N 3.1Å; K197-N201 PolarHBondContact O-ND2 3.36Å; E198-N201 PolarHBondContact O-N 2.75Å; I199-N201 VanDerWaalsContact C-N 3.31Å; I199-N201 PolarHBondContact O-N 3.42Å; N201-R204 PolarHBondContact O-N 3.24Å; N201-M205 WeakPolarHBondContact O-CG 3.43Å; N201-M205 PolarHBondContact O-N 3.35Å
202	Q	79.9	Confident	66.2	Low	124 Å²	124	125.5 Å²	125.5	58%	0.579	63%	0.627	S	S	*	*	H	α-helix	trans	-64.3	-43.8	174.6	-72.9	-172	10.6	0	0	111.5	E198 I199 R204 M205 T206	E198-Q202 WeakPolarHBondContact O-CG 3.48Å; E198-Q202 PolarHBondContact O-N 3.16Å; I199-Q202 PolarHBondContact O-N 3.04Å; Q202-R204 VanDerWaalsContact C-N 3.28Å; Q202-R204 PolarHBondContact O-N 2.91Å; Q202-M205 PolarHBondContact O-N 3.17Å; Q202-T206 PolarHBondContact O-N 2.97Å; Q202-T206 PolarHBondContact O-OG1 2.72Å
203	L	71.8	Confident	63.5	Low	113 Å²	113	127.9 Å²	127.9	59%	0.592	64%	0.638	S	S	*	*	H	α-helix	trans	-63.8	-30.5	176.1	-74.6	166.3	0	0	0	113	I199 E200 M205	I199-L203 HydrophobicContact CG2-CD1 3.93Å; I199-L203 HydrophobicContact CG2-CG 4.46Å; I199-L203 WeakPolarHBondContact O-CB 3.47Å; I199-L203 WeakPolarHBondContact O-CG 3.41Å; I199-L203 PolarHBondContact O-N 3.18Å; E200-L203 PolarHBondContact O-N 3.18Å; L203-M205 VanDerWaalsContact C-N 3.35Å
204	R	68.8	Low	60.8	Low	206 Å²	206	128.5 Å²	128.5	78%	0.777	65%	0.645	S	S	*	*	H	α-helix	trans	-71	-27.8	172.2	-82.1	-177.5	174.7	-149.1	-0.3	113.3	E200 N201 Q202	E200-R204 PolarHBondContact O-N 3.39Å; N201-R204 PolarHBondContact O-N 3.24Å; Q202-R204 VanDerWaalsContact C-N 3.28Å; Q202-R204 PolarHBondContact O-N 2.91Å
205	M	57.7	Low	58.2	Low	163 Å²	163	129.3 Å²	129.3	80%	0.803	65%	0.65	S	S	*	*	H	α-helix	trans	-88.1	-21.4	-177.5	-66.9	-68	-80.9	0	0	113.5	N201 Q202 L203	N201-M205 WeakPolarHBondContact O-CG 3.43Å; N201-M205 PolarHBondContact O-N 3.35Å; Q202-M205 PolarHBondContact O-N 3.17Å; L203-M205 VanDerWaalsContact C-N 3.35Å
206	T	56.3	Low	55.3	Low	107 Å²	107	131.7 Å²	131.7	66%	0.656	67%	0.666	S	S	*	*	S	Bend	trans	-80.7	-8.8	176.8	10.3	0	0	0	0	114.7	Q202 I208	Q202-T206 PolarHBondContact O-N 2.97Å; Q202-T206 PolarHBondContact O-OG1 2.72Å; T206-I208 VanDerWaalsContact C-N 3.29Å; T206-I208 PolarHBondContact O-N 2.8Å
207	N	48.3	Very low	52.7	Low	145 Å²	145	132.3 Å²	132.3	78%	0.775	68%	0.678	S	S	*	*			trans	-89.3	44.3	-178.9	-98.8	-7.6	0	0	0	114.1
208	I	46.5	Very low	50.1	Low	147 Å²	147	131.8 Å²	131.8	75%	0.754	69%	0.69	S	S	*	*			trans	-135.7	93.3	161.7	-56.5	174.3	0	0	0	108	T206	T206-I208 VanDerWaalsContact C-N 3.29Å; T206-I208 PolarHBondContact O-N 2.8Å
209	Q	34.5	Very low	47.6	Very low	162 Å²	162	135.7 Å²	135.7	76%	0.757	71%	0.705	S	S	*	*			trans	177.6	102.8	134.1	-152.4	83.5	11.8	0	0	108.9	P211	Q209-P211 HydrophobicContact CG-CG 4.44Å
210	E	40.8	Very low	45.7	Very low	189 Å²	189	136.8 Å²	136.8	88%	0.883	72%	0.719	S	S	*	*			trans	-81.1	137.3	147.2	-94.8	-173.3	162.3	0	0	107.8
211	P	37.6	Very low	43.3	Very low	96 Å²	96	143.3 Å²	143.3	62%	0.623	74%	0.738	S	S	*	*				-139.2	123.7	128.7	24.9	-5.5	0	0	0	113.5	Q209	Q209-P211 HydrophobicContact CG-CG 4.44Å
212	T	30.4	Very low	41.2	Very low	116 Å²	116	143 Å²	143	71%	0.712	75%	0.749	S	S	*	*				34.3	117.8	125.3	-2	0	0	0	0	120.9
213	E	29.9	Very low	39.4	Very low	165 Å²	165	142.9 Å²	142.9	77%	0.771	76%	0.758	S	S	*	*				96.9	135.9	119.5	-108.1	-180	-137.6	0	0	123.8
214	I	27.2	Very low	37.4	Very low	138 Å²	138	149.3 Å²	149.3	71%	0.708	78%	0.775	S	S	*	*			trans	106.2	99.4	146	-61.5	155	0	0	0	120
215	S	29.1	Very low	35.4	Very low	91 Å²	91	145.1 Å²	145.1	64%	0.636	77%	0.773	S	S	*	*			trans	31.7	133.8	134.7	76.1	0	0	0	0	123.2
216	L	26.2	Very low	34.2	Very low	162 Å²	162	143.1 Å²	143.1	85%	0.848	77%	0.77	S	S	*	*				173.8	123.6	102.6	-99.6	138.5	0	0	0	113.1
217	S	27.8	Very low	33.4	Very low	101 Å²	101	143 Å²	143	71%	0.706	77%	0.771	S	S	*	*			trans	13.8	125	141.9	164	0	0	0	0	120.5
218	S	29.8	Very low	32.5	Very low	117 Å²	117	144.3 Å²	144.3	82%	0.818	77%	0.77	S	S	*	*				174.8	156.8	101.2	51.1	0	0	0	0	113.2
219	K	30.1	Very low	31.7	Very low	207 Å²	207	146 Å²	146	90%	0.9	78%	0.78	S	S	*	*			trans	-79.4	175.3	-161.5	-99.1	-176.5	-179.5	177.2	0	115.2
220	P	40.2	Very low	31.6	Very low	120 Å²	120	145.2 Å²	145.2	78%	0.779	78%	0.776	S	S	*	*			trans	-100.3	164.9	-147.4	39.5	-35.6	0	0	0	114.7
221	R	24.1	Very low	31	Very low	249 Å²	249	144.3 Å²	144.3	94%	0.94	78%	0.776	S	S	*	*			trans	-146.2	120.2	162	-153.6	170.4	-154.7	-149.7	3.2	112.2
222	A	27.6	Very low	30.7	Very low	85 Å²	85	145.5 Å²	145.5	70%	0.702	78%	0.777	S	S	*	*			trans	-99.9	-174.1	163.2	0	0	0	0	0	109.3
223	P	42.6	Very low	31	Very low	121 Å²	121	148 Å²	148	79%	0.786	78%	0.78	S	S	*	*				-125.6	171.9	-59.9	32.3	-16.3	0	0	0	111.1
224	R	30.2	Very low	31.3	Very low	248 Å²	248	146.8 Å²	146.8	94%	0.936	78%	0.778	S	S	*	*			trans	-126.5	113.7	164.5	-80.6	-171.5	-179.3	-173.1	0.6	112.4
225	T	27.4	Very low	31.5	Very low	119 Å²	119	151.2 Å²	151.2	73%	0.73	79%	0.786	S	S	*	*			trans	-24	121.2	150.9	8.3	0	0	0	0	116.2
226	T	31	Very low	32.1	Very low	121 Å²	121	154.4 Å²	154.4	74%	0.742	80%	0.796	S	S	*	*				91.2	163.7	104.1	49.4	0	0	0	0	115.8
227	P	40.3	Very low	32.9	Very low	104 Å²	104	152.6 Å²	152.6	68%	0.675	79%	0.791	S	S	*	*			cis	-141	165.2	-32.7	33	-13.1	0	0	0	116.1
228	F	29.3	Very low	33.3	Very low	173 Å²	173	158 Å²	158	76%	0.759	80%	0.802	S	S	*	*			trans	42.1	129.1	143.8	-80.7	-95.2	0	0	0	123.9
229	L	28.9	Very low	34.2	Very low	183 Å²	183	160 Å²	160	96%	0.958	80%	0.798	S	S	*	*				-134.8	136.9	129.6	-85.5	172.6	0	0	0	110.1
230	Q	33.5	Very low	35.4	Very low	145 Å²	145	155.6 Å²	155.6	68%	0.678	78%	0.784	S	S	*	*			trans	-108.9	141	-168.4	-152.5	170.8	-16.3	0	0	108.5
231	L	28.7	Very low	37.3	Very low	169 Å²	169	152.9 Å²	152.9	89%	0.885	78%	0.778	S	S	*	*			trans	-154.6	103.3	150	-146	73.5	0	0	0	112.1
232	N	31.1	Very low	40.3	Very low	121 Å²	121	143.5 Å²	143.5	65%	0.647	75%	0.746	S	S	*	*			trans	25.2	115.4	141.2	-71.3	7.3	0	0	0	121.7
233	E	36.2	Very low	43.3	Very low	168 Å²	168	140.3 Å²	140.3	79%	0.785	72%	0.718	S	S	*	*				81.4	124.9	115.1	-111.4	174.5	-142.7	0	0	122.4
234	I	36	Very low	45.7	Very low	141 Å²	141	135.7 Å²	135.7	72%	0.723	69%	0.69	S	S	*	*			trans	98.7	111.7	152.5	-49.3	163.4	0	0	0	117.5
235	R	32.3	Very low	48.7	Very low	231 Å²	231	124.6 Å²	124.6	87%	0.872	65%	0.649	S	S	*	*			trans	103.1	96.1	164.5	-57.1	-171.5	-177.9	-177.1	-1	117.6
236	N	41.5	Very low	51.9	Low	158 Å²	158	119 Å²	119	85%	0.845	62%	0.615	S	S	*	*			trans	27.8	134.3	131.8	-77.8	-20.4	0	0	0	120.4
237	V	42.8	Very low	54.9	Low	124 Å²	124	114.3 Å²	114.3	75%	0.752	59%	0.587	S	S	*	*			trans	85.8	89.3	165.9	-160.9	0	0	0	0	115.6
238	K	35.8	Very low	57.3	Low	214 Å²	214	111.4 Å²	111.4	93%	0.93	57%	0.567	S	S	*	*			trans	-129.5	85	147.6	-78.1	-172.3	178.2	-179.3	0	108.2
239	H	48.1	Very low	60.3	Low	158 Å²	158	103.4 Å²	103.4	73%	0.731	53%	0.532	S	S	*	.			trans	-74.9	122.1	156	-91.2	-77.2	0	0	0	106.9	G241	H239-G241 PolarHBondContact O-N 3.28Å
240	D	56.8	Low	63.4	Low	115 Å²	115	97.1 Å²	97.1	62%	0.615	50%	0.496	S	S	*	.			trans	-40.1	126.8	157.7	-80.7	-23.6	0	0	0	108.2	I242 R263	D240-I242 PolarHBondContact O-N 2.69Å; D240-R263 IonicContact OD2-NH1 2.9Å; D240-R263 PolarHBondContact OD2-NH1 2.83Å
241	G	78.6	Confident	66.1	Low	63 Å²	63	96 Å²	96	65%	0.649	50%	0.495	S	S	*	.	S	Bend	trans	-59.8	6.5	-165.3	0	0	0	0	0	117.3	H239 R252	H239-G241 PolarHBondContact O-N 3.28Å; G241-R252 PolarHBondContact O-NH1 2.88Å
242	I	86.9	Confident	69.1	Low	53 Å²	53	94.1 Å²	94.1	27%	0.272	48%	0.476	S	S	.	.	S	Bend	trans	-86	127.1	176.9	-54.8	179.7	0	0	0	109.4	D240 R263 V269	D240-I242 PolarHBondContact O-N 2.69Å; I242-R263 HydrophobicContact CB-CB 4.08Å; I242-R263 HydrophobicContact CG2-CB 3.71Å; I242-V269 HydrophobicContact CD1-CG1 4.28Å; I242-V269 HydrophobicContact CD1-CG2 3.53Å
243	P	92.3	Very high	71.9	Confident	18 Å²	18	90.5 Å²	90.5	12%	0.117	47%	0.467	C	S	.	.			trans	-59.1	149	175.6	-21.1	31.1	0	0	0	113.3	T248 I249 I262 R263	P243-T248 HydrophobicContact CB-CG2 3.84Å; P243-I249 HydrophobicContact CB-CD1 4.22Å; P243-I249 HydrophobicContact CB-CG1 3.5Å; P243-I249 VanDerWaalsContact CB-CG1 3.5Å; P243-I249 HydrophobicContact CG-CD1 4.38Å; P243-I249 HydrophobicContact CG-CG1 3.51Å; P243-I262 CarbonylContact O-C 3.59Å; P243-I262 VanDerWaalsContact O-CA 3.25Å; P243-I262 WeakPolarHBondContact O-CA 3.13Å; P243-R263 PolarHBondContact O-N 2.81Å
244	A	92.6	Very high	74.5	Confident	24 Å²	24	87.3 Å²	87.3	20%	0.198	45%	0.452	C	S	.	.	S	Bend	trans	-77.8	-32.8	178.4	0	0	0	0	0	113.1	P264	A244-P264 WeakPolarHBondContact O-CG 3.45Å
245	D	92.9	Very high	77.1	Confident	14 Å²	14	85.5 Å²	85.5	8%	0.075	44%	0.441	C	S	.	.	S	Bend	trans	-158.5	177.2	-174.3	53.9	31.3	0	0	0	110.9	T247 T248 I249 Y329	D245-T247 PolarHBondContact O-N 2.91Å; D245-T247 WeakPolarHBondContact OD1-CB 3.43Å; D245-T247 PolarHBondContact OD1-N 2.9Å; D245-T247 VanDerWaalsContact OD1-N 3.17Å; D245-T248 PolarHBondContact O-N 2.96Å; D245-T248 WeakPolarHBondContact OD1-CB 3.35Å; D245-T248 PolarHBondContact OD1-N 3.34Å; D245-T248 PolarHBondContact OD1-OG1 2.86Å; D245-I249 PolarHBondContact O-N 2.98Å; D245-Y329 PolarHBondContact OD2-OH 2.92Å
246	C	94.9	Very high	79.9	Confident	1 Å²	1	80.3 Å²	80.3	1%	0.007	43%	0.429	C	S	.	.	H	α-helix	trans	-62.5	-26.8	176.5	-67.5	0	0	0	0	113.6	I249 Y250 C274 P281 T283	C246-I249 WeakPolarHBondContact O-CB 3.4Å; C246-I249 PolarHBondContact O-N 2.8Å; C246-Y250 WeakPolarHBondContact O-CB 3.42Å; C246-Y250 PolarHBondContact O-N 2.8Å; C246-C274 VanDerWaalsContact CA-SG 3.53Å; C246-C274 HydrophobicContact CB-CB 3.71Å; C246-C274 WeakPolarHBondContact CB-SG 3.07Å; C246-C274 WeakPolarHBondContact SG-CA 3.17Å; C246-C274 WeakPolarHBondContact SG-CB 3.4Å; C246-C274 CovalentContact SG-SG 2.03Å; C246-C274 PolarHBondContact SG-SG 2.98Å; C246-P281 HydrophobicContact CB-CB 4.46Å; C246-T283 WeakPolarHBondContact CB-OG1 3.38Å; C246-T283 PolarHBondContact SG-OG1 2.91Å
247	T	92.9	Very high	82.4	Confident	24 Å²	24	74.9 Å²	74.9	15%	0.147	40%	0.403	C	S	.	.	H	α-helix	trans	-69.4	-41.2	176.9	-57.5	0	0	0	0	111.3	D245 I249 Y250 N251 P281 P453	D245-T247 PolarHBondContact O-N 2.91Å; D245-T247 WeakPolarHBondContact OD1-CB 3.43Å; D245-T247 PolarHBondContact OD1-N 2.9Å; D245-T247 VanDerWaalsContact OD1-N 3.17Å; T247-I249 VanDerWaalsContact C-N 3.3Å; T247-I249 PolarHBondContact O-N 2.82Å; T247-Y250 PolarHBondContact O-N 2.82Å; T247-N251 WeakPolarHBondContact O-CB 3.48Å; T247-N251 PolarHBondContact O-N 2.9Å; T247-N251 PolarHBondContact O-ND2 2.96Å; T247-P281 HydrophobicContact CG2-CG 4.32Å; T247-P453 HydrophobicContact CG2-CG 4.36Å; T247-P453 WeakPolarHBondContact OG1-CD 3.28Å; T247-P453 VanDerWaalsContact OG1-CG 3.3Å; T247-P453 WeakPolarHBondContact OG1-CG 3.08Å
248	T	91.9	Very high	84.8	Confident	42 Å²	42	69.7 Å²	69.7	26%	0.258	38%	0.375	S	S	.	.	H	α-helix	trans	-64.2	-36.9	174.6	-53.2	0	0	0	0	111.3	P243 D245 R252	P243-T248 HydrophobicContact CB-CG2 3.84Å; D245-T248 PolarHBondContact O-N 2.96Å; D245-T248 WeakPolarHBondContact OD1-CB 3.35Å; D245-T248 PolarHBondContact OD1-N 3.34Å; D245-T248 PolarHBondContact OD1-OG1 2.86Å; T248-R252 WeakPolarHBondContact O-CD 3.27Å; T248-R252 VanDerWaalsContact O-CG 3.24Å; T248-R252 WeakPolarHBondContact O-CG 3.48Å; T248-R252 PolarHBondContact O-N 3.41Å
249	I	92.4	Very high	87.7	Confident	6 Å²	6	65.1 Å²	65.1	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-50.8	173.9	-70.4	159.4	0	0	0	110.1	P243 D245 C246 T247 N251 R252 E254 Y260 I262	P243-I249 HydrophobicContact CB-CD1 4.22Å; P243-I249 HydrophobicContact CB-CG1 3.5Å; P243-I249 VanDerWaalsContact CB-CG1 3.5Å; P243-I249 HydrophobicContact CG-CD1 4.38Å; P243-I249 HydrophobicContact CG-CG1 3.51Å; D245-I249 PolarHBondContact O-N 2.98Å; C246-I249 WeakPolarHBondContact O-CB 3.4Å; C246-I249 PolarHBondContact O-N 2.8Å; T247-I249 VanDerWaalsContact C-N 3.3Å; T247-I249 PolarHBondContact O-N 2.82Å; I249-N251 PolarHBondContact O-N 3.37Å; I249-R252 WeakPolarHBondContact O-CB 3.44Å; I249-R252 PolarHBondContact O-N 2.82Å; I249-R252 VanDerWaalsContact O-N 3.07Å; I249-E254 HydrophobicContact CG2-CB 3.51Å; I249-E254 HydrophobicContact CG2-CG 4.17Å; I249-E254 PolarHBondContact O-N 3.28Å; I249-Y260 HydrophobicContact CD1-CD1 4.27Å; I249-Y260 HydrophobicContact CD1-CD2 4.42Å; I249-Y260 HydrophobicContact CD1-CG 3.8Å; I249-Y260 HydrophobicContact CG2-CD1 3.85Å; I249-Y260 HydrophobicContact CG2-CD2 4.44Å; I249-Y260 HydrophobicContact CG2-CE1 3.89Å; I249-Y260 HydrophobicContact CG2-CE2 4.47Å; I249-Y260 HydrophobicContact CG2-CG 4.14Å; I249-I262 HydrophobicContact CD1-CG2 3.61Å
250	Y	92.9	Very high	90	Very high	50 Å²	50	59.8 Å²	59.8	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-59.7	-45.6	179.3	-171.1	-91.6	0	0	0	112.5	C246 T247 R252 G253 E254 H255 V276 G279 P281	C246-Y250 WeakPolarHBondContact O-CB 3.42Å; C246-Y250 PolarHBondContact O-N 2.8Å; T247-Y250 PolarHBondContact O-N 2.82Å; Y250-R252 PolarHBondContact O-N 2.94Å; Y250-R252 VanDerWaalsContact O-N 3.11Å; Y250-G253 PolarHBondContact O-N 2.91Å; Y250-E254 WeakPolarHBondContact CA-O 3.34Å; Y250-H255 HydrophobicContact CD2-CB 4.47Å; Y250-H255 AromaticContact CD2-CD2 3.48Å; Y250-H255 VanDerWaalsContact CD2-CD2 3.48Å; Y250-H255 WeakPolarHBondContact CD2-CD2 3.41Å; Y250-H255 HydrophobicContact CE2-CB 4.04Å; Y250-H255 AromaticContact CE2-CD2 3.31Å; Y250-H255 WeakPolarHBondContact CE2-CD2 3.45Å; Y250-H255 AromaticContact CE2-CG 3.84Å; Y250-H255 AromaticContact CG-CD2 3.91Å; Y250-H255 AromaticContact CZ-CD2 3.63Å; Y250-H255 PolarHBondContact O-NE2 3.31Å; Y250-V276 HydrophobicContact CD2-CG1 4.16Å; Y250-V276 HydrophobicContact CD2-CG2 4.03Å; Y250-V276 HydrophobicContact CE2-CG1 3.62Å; Y250-V276 HydrophobicContact CE2-CG2 4.31Å; Y250-G279 VanDerWaalsContact CZ-O 3.28Å; Y250-G279 PolarHBondContact OH-O 3.45Å; Y250-G279 VanDerWaalsContact OH-O 3.04Å; Y250-P281 HydrophobicContact CD1-CG 4.07Å; Y250-P281 HydrophobicContact CD2-CB 3.93Å; Y250-P281 HydrophobicContact CD2-CG 4.22Å; Y250-P281 HydrophobicContact CG-CB 3.81Å; Y250-P281 HydrophobicContact CG-CG 3.69Å
251	N	90.9	Very high	91.8	Very high	123 Å²	123	56.1 Å²	56.1	66%	0.658	32%	0.318	S	S	*	.	H	α-helix	trans	-64.6	-16.5	178	-70	-16.9	0	0	0	113.6	T247 I249 G253	T247-N251 WeakPolarHBondContact O-CB 3.48Å; T247-N251 PolarHBondContact O-N 2.9Å; T247-N251 PolarHBondContact O-ND2 2.96Å; I249-N251 PolarHBondContact O-N 3.37Å; N251-G253 VanDerWaalsContact C-N 3.32Å
252	R	91.3	Very high	92.6	Very high	128 Å²	128	53.1 Å²	53.1	48%	0.483	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-1.6	172.6	-70.3	170.5	-176.6	-160.4	5.6	113.3	G241 T248 I249 Y250	G241-R252 PolarHBondContact O-NH1 2.88Å; T248-R252 WeakPolarHBondContact O-CD 3.27Å; T248-R252 VanDerWaalsContact O-CG 3.24Å; T248-R252 WeakPolarHBondContact O-CG 3.48Å; T248-R252 PolarHBondContact O-N 3.41Å; I249-R252 WeakPolarHBondContact O-CB 3.44Å; I249-R252 PolarHBondContact O-N 2.82Å; I249-R252 VanDerWaalsContact O-N 3.07Å; Y250-R252 PolarHBondContact O-N 2.94Å; Y250-R252 VanDerWaalsContact O-N 3.11Å
253	G	89.4	Confident	93	Very high	45 Å²	45	55 Å²	55	46%	0.464	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	2.6	178.2	0	0	0	0	0	114.9	Y250 N251 H255	Y250-G253 PolarHBondContact O-N 2.91Å; N251-G253 VanDerWaalsContact C-N 3.32Å; G253-H255 PolarHBondContact O-N 2.98Å
254	E	90.3	Very high	93.1	Very high	101 Å²	101	54.1 Å²	54.1	47%	0.472	29%	0.285	S	S	.	.			trans	-87	96.4	177.8	-64.7	-64.7	172.4	0	0	110.4	I249 Y250 Y260	I249-E254 HydrophobicContact CG2-CB 3.51Å; I249-E254 HydrophobicContact CG2-CG 4.17Å; I249-E254 PolarHBondContact O-N 3.28Å; Y250-E254 WeakPolarHBondContact CA-O 3.34Å; E254-Y260 HydrophobicContact CB-CE1 4.29Å; E254-Y260 HydrophobicContact CG-CE1 4.48Å
255	H	90.8	Very high	92.6	Very high	104 Å²	104	56.4 Å²	56.4	48%	0.481	30%	0.3	S	S	.	.			trans	-102.8	9.7	-174.1	-54.7	151.1	0	0	0	114.1	Y250 G253	Y250-H255 HydrophobicContact CD2-CB 4.47Å; Y250-H255 AromaticContact CD2-CD2 3.48Å; Y250-H255 VanDerWaalsContact CD2-CD2 3.48Å; Y250-H255 WeakPolarHBondContact CD2-CD2 3.41Å; Y250-H255 HydrophobicContact CE2-CB 4.04Å; Y250-H255 AromaticContact CE2-CD2 3.31Å; Y250-H255 WeakPolarHBondContact CE2-CD2 3.45Å; Y250-H255 AromaticContact CE2-CG 3.84Å; Y250-H255 AromaticContact CG-CD2 3.91Å; Y250-H255 AromaticContact CZ-CD2 3.63Å; Y250-H255 PolarHBondContact O-NE2 3.31Å; G253-H255 PolarHBondContact O-N 2.98Å
256	I	91.3	Very high	91.9	Very high	121 Å²	121	64 Å²	64	62%	0.621	34%	0.34	S	S	*	.	S	Bend	trans	-95.2	128.6	-177	-58.6	174.8	0	0	0	109.5	G258 Y260	I256-G258 PolarHBondContact O-N 2.89Å; I256-Y260 WeakPolarHBondContact O-CE2 3.28Å; I256-Y260 PolarHBondContact O-OH 3.42Å
257	S	94.3	Very high	91.6	Very high	44 Å²	44	65.3 Å²	65.3	31%	0.308	35%	0.349	S	S	.	.			trans	-62.8	132.8	171.6	-63	0	0	0	0	110.5	C274 D275 V276	S257-C274 CarbonylContact C-O 3.6Å; S257-C274 WeakPolarHBondContact CA-O 3.29Å; S257-C274 WeakPolarHBondContact CB-O 3.28Å; S257-D275 PolarHBondContact OG-OD1 3.26Å; S257-V276 PolarHBondContact OG-N 3.21Å
258	G	94.4	Very high	91.5	Very high	16 Å²	16	72.4 Å²	72.4	17%	0.165	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.5	-173.3	-175.7	0	0	0	0	0	113.5	I256 Y260 Y273 C274	I256-G258 PolarHBondContact O-N 2.89Å; G258-Y260 VanDerWaalsContact O-CD2 3.27Å; G258-Y260 WeakPolarHBondContact O-CD2 3.37Å; G258-Y273 CarbonylContact O-C 3.59Å; G258-Y273 WeakPolarHBondContact O-CA 3.46Å; G258-C274 PolarHBondContact N-O 2.82Å; G258-C274 PolarHBondContact O-N 2.96Å
259	M	96	Very high	91.7	Very high	117 Å²	117	73.4 Å²	73.4	58%	0.576	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.3	-179.8	-177.9	172.2	46.1	0	0	110.6	H271 V272 L309	M259-H271 HydrophobicContact CG-CB 3.96Å; M259-H271 HydrophobicContact SD-CB 4.06Å; M259-V272 CarbonylContact C-O 3.49Å; M259-V272 VanDerWaalsContact CA-O 3.29Å; M259-V272 WeakPolarHBondContact CA-O 3.34Å; M259-L309 HydrophobicContact CG-CD1 4.05Å; M259-L309 HydrophobicContact SD-CB 4.18Å; M259-L309 HydrophobicContact SD-CD1 3.72Å
260	Y	95.3	Very high	91.9	Very high	47 Å²	47	74.2 Å²	74.2	18%	0.184	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	150.4	-179.5	-63.4	-90.6	0	0	0	111.2	I249 E254 I256 G258 H271 V272 C274	I249-Y260 HydrophobicContact CD1-CD1 4.27Å; I249-Y260 HydrophobicContact CD1-CD2 4.42Å; I249-Y260 HydrophobicContact CD1-CG 3.8Å; I249-Y260 HydrophobicContact CG2-CD1 3.85Å; I249-Y260 HydrophobicContact CG2-CD2 4.44Å; I249-Y260 HydrophobicContact CG2-CE1 3.89Å; I249-Y260 HydrophobicContact CG2-CE2 4.47Å; I249-Y260 HydrophobicContact CG2-CG 4.14Å; E254-Y260 HydrophobicContact CB-CE1 4.29Å; E254-Y260 HydrophobicContact CG-CE1 4.48Å; I256-Y260 WeakPolarHBondContact O-CE2 3.28Å; I256-Y260 PolarHBondContact O-OH 3.42Å; G258-Y260 VanDerWaalsContact O-CD2 3.27Å; G258-Y260 WeakPolarHBondContact O-CD2 3.37Å; Y260-H271 CarbonylContact O-C 3.57Å; Y260-H271 VanDerWaalsContact O-CA 3.29Å; Y260-H271 WeakPolarHBondContact O-CA 3.47Å; Y260-V272 PolarHBondContact N-O 2.84Å; Y260-V272 PolarHBondContact O-N 3.31Å; Y260-C274 HydrophobicContact CD2-CB 3.74Å; Y260-C274 VanDerWaalsContact CD2-SG 3.59Å; Y260-C274 HydrophobicContact CE2-CB 3.99Å
261	A	95.8	Very high	92	Very high	38 Å²	38	76.8 Å²	76.8	31%	0.314	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.1	172.2	0	0	0	0	0	110.2	V269 F270	A261-V269 HydrophobicContact CB-CG1 4.07Å; A261-F270 WeakPolarHBondContact CA-O 3.39Å
262	I	95.8	Very high	92.4	Very high	0 Å²	0	71 Å²	71	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	157.4	176.6	62.1	165.3	0	0	0	111	P243 I249 P264 V269 F270 V272 I323	P243-I262 CarbonylContact O-C 3.59Å; P243-I262 VanDerWaalsContact O-CA 3.25Å; P243-I262 WeakPolarHBondContact O-CA 3.13Å; I249-I262 HydrophobicContact CD1-CG2 3.61Å; I262-P264 HydrophobicContact CD1-CG 3.89Å; I262-P264 HydrophobicContact CG1-CG 4.37Å; I262-V269 WeakPolarHBondContact O-CA 3.36Å; I262-F270 HydrophobicContact CD1-CD2 4.46Å; I262-F270 HydrophobicContact CD1-CE2 3.72Å; I262-F270 HydrophobicContact CD1-CZ 3.97Å; I262-F270 HydrophobicContact CG1-CD2 4.13Å; I262-F270 HydrophobicContact CG1-CE2 3.85Å; I262-F270 HydrophobicContact CG1-CZ 4.21Å; I262-F270 PolarHBondContact N-O 2.85Å; I262-F270 PolarHBondContact O-N 3.3Å; I262-F270 VanDerWaalsContact O-N 3.07Å; I262-V272 HydrophobicContact CD1-CB 4.33Å; I262-V272 HydrophobicContact CD1-CG1 3.49Å; I262-V272 VanDerWaalsContact CD1-CG1 3.49Å; I262-V272 HydrophobicContact CD1-CG2 3.87Å; I262-V272 HydrophobicContact CG1-CG1 3.87Å; I262-V272 HydrophobicContact CG1-CG2 3.96Å; I262-V272 HydrophobicContact CG2-CG2 3.84Å; I262-I323 HydrophobicContact CD1-CD1 4.04Å; I262-I323 HydrophobicContact CD1-CG1 4.08Å
263	R	95.3	Very high	92.6	Very high	92 Å²	92	68 Å²	68	35%	0.347	36%	0.362	S	S	.	.			trans	-132.7	84.7	171.1	-175.4	-175.6	-77.5	168.9	-2	109.3	D240 I242 P243 V269	D240-R263 IonicContact OD2-NH1 2.9Å; D240-R263 PolarHBondContact OD2-NH1 2.83Å; I242-R263 HydrophobicContact CB-CB 4.08Å; I242-R263 HydrophobicContact CG2-CB 3.71Å; P243-R263 PolarHBondContact O-N 2.81Å; R263-V269 HydrophobicContact CB-CG2 4.23Å; R263-V269 HydrophobicContact CG-CG2 4.4Å
264	P	93.1	Very high	92.9	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.34	C	S	.	.			trans	-55.3	149.9	167.6	-25.5	33.2	0	0	0	111.9	A244 I262 N266 S267 F270 S322 I323 Q326	A244-P264 WeakPolarHBondContact O-CG 3.45Å; I262-P264 HydrophobicContact CD1-CG 3.89Å; I262-P264 HydrophobicContact CG1-CG 4.37Å; P264-N266 PolarHBondContact O-N 3.08Å; P264-S267 VanDerWaalsContact CD-OG 3.23Å; P264-S267 WeakPolarHBondContact CD-OG 3.18Å; P264-S267 WeakPolarHBondContact O-CB 3.38Å; P264-S267 PolarHBondContact O-N 3.45Å; P264-S267 PolarHBondContact O-OG 3.4Å; P264-F270 HydrophobicContact CG-CE1 3.84Å; P264-F270 HydrophobicContact CG-CZ 3.66Å; P264-S322 VanDerWaalsContact CB-O 3.3Å; P264-S322 WeakPolarHBondContact CB-O 3.36Å; P264-I323 HydrophobicContact CB-CG1 4.37Å; P264-I323 HydrophobicContact CG-CG1 3.59Å; P264-Q326 VanDerWaalsContact CA-OE1 3.31Å
265	S	82.1	Confident	93.1	Very high	72 Å²	72	62 Å²	62	50%	0.503	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	124.5	-175.3	-65.7	0	0	0	0	113.3	S267 Q326	S265-S267 PolarHBondContact O-N 3.18Å; S265-Q326 PolarHBondContact OG-OE1 2.88Å
266	N	78.1	Confident	93.1	Very high	172 Å²	172	58.5 Å²	58.5	92%	0.92	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	23	-178	-57.4	-44.3	0	0	0	115.6	P264	P264-N266 PolarHBondContact O-N 3.08Å
267	S	89.4	Confident	92.6	Very high	30 Å²	30	54.7 Å²	54.7	21%	0.21	29%	0.291	C	S	.	.	S	Bend	trans	-108.7	166.8	174.6	75.9	0	0	0	0	112.9	P264 S265	P264-S267 VanDerWaalsContact CD-OG 3.23Å; P264-S267 WeakPolarHBondContact CD-OG 3.18Å; P264-S267 WeakPolarHBondContact O-CB 3.38Å; P264-S267 PolarHBondContact O-N 3.45Å; P264-S267 PolarHBondContact O-OG 3.4Å; S265-S267 PolarHBondContact O-N 3.18Å
268	Q	91.3	Very high	91.7	Very high	173 Å²	173	58.6 Å²	58.6	81%	0.808	32%	0.318	S	S	*	.			trans	-73.9	158.8	167.1	-65.8	-177.2	1.3	0	0	110.4	F270	Q268-F270 VanDerWaalsContact O-CD1 3.24Å; Q268-F270 WeakPolarHBondContact O-CD1 3.47Å
269	V	95.1	Very high	90.9	Very high	63 Å²	63	59.7 Å²	59.7	38%	0.382	33%	0.33	S	S	.	.			trans	-70.4	133.9	175.3	-176.6	0	0	0	0	109.4	I242 A261 I262 R263	I242-V269 HydrophobicContact CD1-CG1 4.28Å; I242-V269 HydrophobicContact CD1-CG2 3.53Å; A261-V269 HydrophobicContact CB-CG1 4.07Å; I262-V269 WeakPolarHBondContact O-CA 3.36Å; R263-V269 HydrophobicContact CB-CG2 4.23Å; R263-V269 HydrophobicContact CG-CG2 4.4Å
270	F	96.5	Very high	90.4	Very high	23 Å²	23	56.5 Å²	56.5	10%	0.101	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	164.2	173	59.6	-96.5	0	0	0	111.9	A261 I262 P264 Q268 V272 K319 I323	A261-F270 WeakPolarHBondContact CA-O 3.39Å; I262-F270 HydrophobicContact CD1-CD2 4.46Å; I262-F270 HydrophobicContact CD1-CE2 3.72Å; I262-F270 HydrophobicContact CD1-CZ 3.97Å; I262-F270 HydrophobicContact CG1-CD2 4.13Å; I262-F270 HydrophobicContact CG1-CE2 3.85Å; I262-F270 HydrophobicContact CG1-CZ 4.21Å; I262-F270 PolarHBondContact N-O 2.85Å; I262-F270 PolarHBondContact O-N 3.3Å; I262-F270 VanDerWaalsContact O-N 3.07Å; P264-F270 HydrophobicContact CG-CE1 3.84Å; P264-F270 HydrophobicContact CG-CZ 3.66Å; Q268-F270 VanDerWaalsContact O-CD1 3.24Å; Q268-F270 WeakPolarHBondContact O-CD1 3.47Å; F270-V272 HydrophobicContact CD2-CG1 3.86Å; F270-V272 HydrophobicContact CE2-CG1 3.55Å; F270-K319 HydrophobicContact CB-CD 4.13Å; F270-K319 HydrophobicContact CD1-CD 4.18Å; F270-K319 HydrophobicContact CD1-CG 4.07Å; F270-K319 HydrophobicContact CD2-CB 4.35Å; F270-K319 HydrophobicContact CD2-CD 3.63Å; F270-K319 HydrophobicContact CD2-CG 4.18Å; F270-K319 HydrophobicContact CE1-CB 4.12Å; F270-K319 HydrophobicContact CE1-CG 4.04Å; F270-K319 HydrophobicContact CE2-CB 3.81Å; F270-K319 HydrophobicContact CE2-CD 3.96Å; F270-K319 HydrophobicContact CE2-CG 4.12Å; F270-K319 HydrophobicContact CG-CD 3.73Å; F270-K319 HydrophobicContact CG-CG 4.13Å; F270-K319 HydrophobicContact CZ-CB 3.68Å; F270-K319 HydrophobicContact CZ-CD 4.39Å; F270-K319 HydrophobicContact CZ-CG 4.05Å; F270-I323 HydrophobicContact CE2-CD1 4.14Å; F270-I323 HydrophobicContact CZ-CD1 4.05Å; F270-I323 HydrophobicContact CZ-CG1 4.05Å
271	H	96.6	Very high	90.3	Very high	104 Å²	104	54.6 Å²	54.6	48%	0.481	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	143.4	179.1	-66.6	85.9	0	0	0	111.5	M259 Y260 L309	M259-H271 HydrophobicContact CG-CB 3.96Å; M259-H271 HydrophobicContact SD-CB 4.06Å; Y260-H271 CarbonylContact O-C 3.57Å; Y260-H271 VanDerWaalsContact O-CA 3.29Å; Y260-H271 WeakPolarHBondContact O-CA 3.47Å; H271-L309 HydrophobicContact CB-CD1 3.55Å; H271-L309 WeakPolarHBondContact O-CD1 3.5Å
272	V	97.4	Very high	90.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	159.3	172	-65.9	0	0	0	0	109.9	M259 Y260 I262 F270 T283 L315	M259-V272 CarbonylContact C-O 3.49Å; M259-V272 VanDerWaalsContact CA-O 3.29Å; M259-V272 WeakPolarHBondContact CA-O 3.34Å; Y260-V272 PolarHBondContact N-O 2.84Å; Y260-V272 PolarHBondContact O-N 3.31Å; I262-V272 HydrophobicContact CD1-CB 4.33Å; I262-V272 HydrophobicContact CD1-CG1 3.49Å; I262-V272 VanDerWaalsContact CD1-CG1 3.49Å; I262-V272 HydrophobicContact CD1-CG2 3.87Å; I262-V272 HydrophobicContact CG1-CG1 3.87Å; I262-V272 HydrophobicContact CG1-CG2 3.96Å; I262-V272 HydrophobicContact CG2-CG2 3.84Å; F270-V272 HydrophobicContact CD2-CG1 3.86Å; F270-V272 HydrophobicContact CE2-CG1 3.55Å; V272-T283 HydrophobicContact CB-CG2 3.95Å; V272-T283 HydrophobicContact CG1-CG2 4.01Å; V272-T283 HydrophobicContact CG2-CG2 4.23Å; V272-L315 HydrophobicContact CG1-CD1 4.02Å; V272-L315 HydrophobicContact CG1-CD2 4.1Å
273	Y	97.2	Very high	90.3	Very high	65 Å²	65	53.8 Å²	53.8	26%	0.255	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	119.8	166.6	-164.7	-79.7	0	0	0	109.1	G258 D275 L284 L309	G258-Y273 CarbonylContact O-C 3.59Å; G258-Y273 WeakPolarHBondContact O-CA 3.46Å; Y273-D275 HydrophobicContact CD1-CB 4.33Å; Y273-D275 HydrophobicContact CE1-CB 4.25Å; Y273-L284 HydrophobicContact CD1-CB 4.38Å; Y273-L284 HydrophobicContact CD1-CD2 4.16Å; Y273-L284 WeakPolarHBondContact O-CB 3.41Å; Y273-L284 PolarHBondContact O-N 3.46Å; Y273-L309 VanDerWaalsContact CD2-O 3.26Å; Y273-L309 WeakPolarHBondContact CD2-O 3.22Å
274	C	96.1	Very high	90.4	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.02	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121	172.5	-60	0	0	0	0	109	C246 S257 G258 Y260 W282	C246-C274 VanDerWaalsContact CA-SG 3.53Å; C246-C274 HydrophobicContact CB-CB 3.71Å; C246-C274 WeakPolarHBondContact CB-SG 3.07Å; C246-C274 WeakPolarHBondContact SG-CA 3.17Å; C246-C274 WeakPolarHBondContact SG-CB 3.4Å; C246-C274 CovalentContact SG-SG 2.03Å; C246-C274 PolarHBondContact SG-SG 2.98Å; S257-C274 CarbonylContact C-O 3.6Å; S257-C274 WeakPolarHBondContact CA-O 3.29Å; S257-C274 WeakPolarHBondContact CB-O 3.28Å; G258-C274 PolarHBondContact N-O 2.82Å; G258-C274 PolarHBondContact O-N 2.96Å; Y260-C274 HydrophobicContact CD2-CB 3.74Å; Y260-C274 VanDerWaalsContact CD2-SG 3.59Å; Y260-C274 HydrophobicContact CE2-CB 3.99Å; C274-W282 CarbonylContact C-O 3.56Å; C274-W282 WeakPolarHBondContact CA-O 3.26Å
275	D	94.3	Very high	90.7	Very high	17 Å²	17	49.6 Å²	49.6	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	109.3	176.9	-160.8	2.9	0	0	0	109.3	S257 Y273 V277 W282 L284 K448 L450	S257-D275 PolarHBondContact OG-OD1 3.26Å; Y273-D275 HydrophobicContact CD1-CB 4.33Å; Y273-D275 HydrophobicContact CE1-CB 4.25Å; D275-V277 PolarHBondContact O-N 3.24Å; D275-W282 PolarHBondContact N-O 3.09Å; D275-W282 WeakPolarHBondContact O-CB 3.42Å; D275-W282 PolarHBondContact O-N 3.1Å; D275-L284 HydrophobicContact CB-CD1 3.9Å; D275-K448 IonicContact OD2-NZ 3.85Å; D275-K448 PolarHBondContact OD2-NZ 2.94Å; D275-L450 HydrophobicContact CB-CD2 4.32Å
276	V	89.4	Confident	91.5	Very high	31 Å²	31	46.1 Å²	46.1	19%	0.188	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	100.2	178.3	-178.2	0	0	0	0	108.3	Y250 S257	Y250-V276 HydrophobicContact CD2-CG1 4.16Å; Y250-V276 HydrophobicContact CD2-CG2 4.03Å; Y250-V276 HydrophobicContact CE2-CG1 3.62Å; Y250-V276 HydrophobicContact CE2-CG2 4.31Å; S257-V276 PolarHBondContact OG-N 3.21Å
277	V	80.7	Confident	92.4	Very high	42 Å²	42	39.3 Å²	39.3	26%	0.255	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.4	-179.9	-176.9	0	0	0	0	108.8	D275 G279 S280	D275-V277 PolarHBondContact O-N 3.24Å; V277-G279 PolarHBondContact O-N 3.37Å; V277-G279 VanDerWaalsContact O-N 3.16Å; V277-S280 PolarHBondContact N-O 2.84Å; V277-S280 PolarHBondContact O-N 2.69Å
278	S	76.7	Confident	92.7	Very high	125 Å²	125	38 Å²	38	87%	0.874	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	36.8	178.2	-56.4	0	0	0	0	113.9	S280	S278-S280 VanDerWaalsContact C-N 3.3Å; S278-S280 PolarHBondContact O-N 2.93Å
279	G	76.1	Confident	92.9	Very high	40 Å²	40	33.1 Å²	33.1	41%	0.412	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	7.1	-179.3	0	0	0	0	0	115.1	Y250 V277	Y250-G279 VanDerWaalsContact CZ-O 3.28Å; Y250-G279 PolarHBondContact OH-O 3.45Å; Y250-G279 VanDerWaalsContact OH-O 3.04Å; V277-G279 PolarHBondContact O-N 3.37Å; V277-G279 VanDerWaalsContact O-N 3.16Å
280	S	86.4	Confident	92.7	Very high	50 Å²	50	33.8 Å²	33.8	35%	0.35	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.8	172.3	-62.5	0	0	0	0	110.5	V277 S278	V277-S280 PolarHBondContact N-O 2.84Å; V277-S280 PolarHBondContact O-N 2.69Å; S278-S280 VanDerWaalsContact C-N 3.3Å; S278-S280 PolarHBondContact O-N 2.93Å
281	P	92.9	Very high	92.4	Very high	7 Å²	7	34.3 Å²	34.3	5%	0.045	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	116.9	-179.2	31.9	-35.7	0	0	0	111.9	C246 T247 Y250 H452	C246-P281 HydrophobicContact CB-CB 4.46Å; T247-P281 HydrophobicContact CG2-CG 4.32Å; Y250-P281 HydrophobicContact CD1-CG 4.07Å; Y250-P281 HydrophobicContact CD2-CB 3.93Å; Y250-P281 HydrophobicContact CD2-CG 4.22Å; Y250-P281 HydrophobicContact CG-CB 3.81Å; Y250-P281 HydrophobicContact CG-CG 3.69Å; P281-H452 PolarHBondContact O-ND1 3.49Å
282	W	95.4	Very high	92.2	Very high	19 Å²	19	33.2 Å²	33.2	7%	0.072	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.3	177.7	-67.4	87.2	0	0	0	111.6	C274 D275 V330 R332 L450 H452	C274-W282 CarbonylContact C-O 3.56Å; C274-W282 WeakPolarHBondContact CA-O 3.26Å; D275-W282 PolarHBondContact N-O 3.09Å; D275-W282 WeakPolarHBondContact O-CB 3.42Å; D275-W282 PolarHBondContact O-N 3.1Å; W282-V330 HydrophobicContact CH2-CG1 4.48Å; W282-R332 HydrophobicContact CE3-CB 4.04Å; W282-R332 HydrophobicContact CH2-CB 3.7Å; W282-R332 HydrophobicContact CH2-CG 4.35Å; W282-R332 HydrophobicContact CZ2-CB 4.5Å; W282-R332 HydrophobicContact CZ3-CB 3.42Å; W282-R332 VanDerWaalsContact CZ3-CB 3.42Å; W282-R332 HydrophobicContact CZ3-CG 4.41Å; W282-L450 HydrophobicContact CB-CB 4.01Å; W282-L450 HydrophobicContact CB-CD2 3.49Å; W282-L450 VanDerWaalsContact CB-CD2 3.49Å; W282-L450 HydrophobicContact CB-CG 4.39Å; W282-L450 HydrophobicContact CD2-CB 4.09Å; W282-L450 HydrophobicContact CD2-CD2 4.35Å; W282-L450 HydrophobicContact CE3-CB 3.57Å; W282-L450 HydrophobicContact CG-CB 4.29Å; W282-L450 HydrophobicContact CG-CD2 3.85Å; W282-L450 HydrophobicContact CZ3-CB 4.42Å; W282-H452 HydrophobicContact CD2-CB 3.9Å; W282-H452 HydrophobicContact CE3-CB 3.44Å; W282-H452 VanDerWaalsContact CE3-CB 3.44Å; W282-H452 HydrophobicContact CH2-CB 3.84Å; W282-H452 HydrophobicContact CZ2-CB 4.26Å; W282-H452 HydrophobicContact CZ3-CB 3.41Å; W282-H452 VanDerWaalsContact CZ3-CB 3.41Å
283	T	97	Very high	92.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.2	169.4	-50.6	0	0	0	0	109	C246 V272 I323 L450 I451	C246-T283 WeakPolarHBondContact CB-OG1 3.38Å; C246-T283 PolarHBondContact SG-OG1 2.91Å; V272-T283 HydrophobicContact CB-CG2 3.95Å; V272-T283 HydrophobicContact CG1-CG2 4.01Å; V272-T283 HydrophobicContact CG2-CG2 4.23Å; T283-I323 HydrophobicContact CG2-CD1 4.23Å; T283-L450 CarbonylContact O-C 3.52Å; T283-L450 WeakPolarHBondContact O-CA 3.37Å; T283-I451 HydrophobicContact CG2-CG1 4.47Å; T283-I451 PolarHBondContact N-O 3.23Å; T283-I451 PolarHBondContact O-N 3.48Å
284	L	97.5	Very high	91.9	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	121.2	179.7	-133.8	77.5	0	0	0	110.1	Y273 D275 H287 F313 K448 L450	Y273-L284 HydrophobicContact CD1-CB 4.38Å; Y273-L284 HydrophobicContact CD1-CD2 4.16Å; Y273-L284 WeakPolarHBondContact O-CB 3.41Å; Y273-L284 PolarHBondContact O-N 3.46Å; D275-L284 HydrophobicContact CB-CD1 3.9Å; L284-H287 HydrophobicContact CD2-CB 4.09Å; L284-F313 HydrophobicContact CB-CZ 4.04Å; L284-F313 HydrophobicContact CD2-CE1 4.22Å; L284-F313 HydrophobicContact CD2-CZ 4.31Å; L284-K448 HydrophobicContact CD1-CB 4.48Å; L284-K448 HydrophobicContact CD1-CD 4.21Å; L284-K448 HydrophobicContact CD1-CG 4.5Å; L284-L450 HydrophobicContact CD1-CB 4.48Å; L284-L450 HydrophobicContact CD1-CD2 3.26Å; L284-L450 HydrophobicContact CD1-CG 3.47Å; L284-L450 VanDerWaalsContact CD1-CG 3.47Å
285	I	98.3	Very high	91.8	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.015	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-21.9	-176.9	61	160.6	0	0	0	113.5	L315 I320 L331 M449 I451	I285-L315 HydrophobicContact CB-CB 4.4Å; I285-L315 HydrophobicContact CB-CD2 4.45Å; I285-L315 HydrophobicContact CG2-CD2 3.92Å; I285-L315 WeakPolarHBondContact O-CB 3.46Å; I285-L315 PolarHBondContact O-N 3.32Å; I285-I320 HydrophobicContact CB-CD1 4Å; I285-I320 HydrophobicContact CB-CG1 3.98Å; I285-I320 HydrophobicContact CD1-CD1 4.23Å; I285-I320 HydrophobicContact CD1-CG2 4.36Å; I285-I320 HydrophobicContact CG2-CG1 3.96Å; I285-L331 HydrophobicContact CD1-CD1 4.07Å; I285-M449 HydrophobicContact CD1-CB 4.07Å; I285-M449 HydrophobicContact CD1-CE 4.42Å; I285-M449 HydrophobicContact CG1-CB 3.69Å; I285-M449 WeakPolarHBondContact CG1-O 3.46Å; I285-M449 PolarHBondContact N-O 3.44Å; I285-I451 HydrophobicContact CD1-CG2 3.85Å; I285-I451 HydrophobicContact CG1-CG2 4.33Å; I285-I451 HydrophobicContact CG2-CD1 3.75Å; I285-I451 HydrophobicContact CG2-CG1 3.84Å; I285-I451 HydrophobicContact CG2-CG2 4.25Å
286	Q	98.3	Very high	91.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	141.7	173	-172.7	-97.8	41.6	0	0	109.4	F295 F313 W314 L413 N414 T447 K448 M449	Q286-F295 HydrophobicContact CG-CE1 4.12Å; Q286-F313 WeakPolarHBondContact CA-O 3.47Å; Q286-W314 HydrophobicContact CB-CE3 3.8Å; Q286-W314 HydrophobicContact CB-CZ3 3.96Å; Q286-W314 HydrophobicContact CG-CE3 3.74Å; Q286-W314 HydrophobicContact CG-CZ3 4.08Å; Q286-L413 PolarHBondContact NE2-O 2.79Å; Q286-N414 PolarHBondContact NE2-OD1 2.82Å; Q286-T447 PolarHBondContact NE2-OG1 3.35Å; Q286-T447 PolarHBondContact OE1-O 3.36Å; Q286-T447 PolarHBondContact OE1-OG1 2.82Å; Q286-K448 WeakPolarHBondContact O-CA 3.44Å; Q286-M449 HydrophobicContact CB-CB 3.87Å; Q286-M449 HydrophobicContact CB-CG 3.96Å; Q286-M449 HydrophobicContact CB-SD 3.97Å; Q286-M449 HydrophobicContact CG-SD 4.36Å; Q286-M449 PolarHBondContact N-O 2.89Å; Q286-M449 PolarHBondContact O-N 2.66Å
287	H	97.6	Very high	91.8	Very high	28 Å²	28	39.1 Å²	39.1	13%	0.13	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	129	174.9	-166.5	-161.8	0	0	0	111.4	L284 I289 G311 E312 F313 T447 K448	L284-H287 HydrophobicContact CD2-CB 4.09Å; H287-I289 WeakPolarHBondContact CE1-CD1 3.37Å; H287-I289 WeakPolarHBondContact NE2-CD1 3.42Å; H287-I289 VanDerWaalsContact NE2-CG1 3.35Å; H287-I289 WeakPolarHBondContact NE2-CG1 3.08Å; H287-G311 PolarHBondContact ND1-O 2.9Å; H287-E312 VanDerWaalsContact O-CA 3.27Å; H287-E312 WeakPolarHBondContact O-CA 3.19Å; H287-E312 WeakPolarHBondContact O-CB 3.45Å; H287-F313 HydrophobicContact CB-CD1 3.96Å; H287-F313 HydrophobicContact CB-CE1 3.86Å; H287-F313 PolarHBondContact N-O 3.4Å; H287-F313 PolarHBondContact O-N 2.97Å; H287-T447 WeakPolarHBondContact CA-O 3.49Å; H287-T447 PolarHBondContact CD2-O 3.04Å; H287-K448 VanDerWaalsContact CD2-CG 3.44Å; H287-K448 WeakPolarHBondContact CD2-CG 3.45Å; H287-K448 WeakPolarHBondContact NE2-CE 3.22Å
288	R	96.4	Very high	92.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.2	172.5	-50.4	-63.3	-63	-84.3	12.7	109.1	F295 E312 L413 G415 L432 S446 T447	R288-F295 HydrophobicContact CG-CZ 4.48Å; R288-F295 VanDerWaalsContact NE-CD2 3.35Å; R288-E312 WeakPolarHBondContact CA-OE1 3.43Å; R288-E312 IonicContact NE-OE1 3.71Å; R288-E312 IonicContact NE-OE2 2.71Å; R288-L413 PolarHBondContact NH1-O 2.78Å; R288-G415 PolarHBondContact NH1-O 3.44Å; R288-G415 PolarHBondContact NH2-O 2.86Å; R288-L432 HydrophobicContact CB-CD2 3.89Å; R288-L432 HydrophobicContact CG-CD2 4.04Å; R288-S446 CarbonylContact O-C 3.57Å; R288-S446 WeakPolarHBondContact O-CA 3.42Å; R288-S446 WeakPolarHBondContact O-CB 3.49Å; R288-T447 WeakPolarHBondContact CB-OG1 3.25Å; R288-T447 WeakPolarHBondContact CG-OG1 3.47Å; R288-T447 PolarHBondContact N-O 3.34Å; R288-T447 PolarHBondContact O-N 2.84Å
289	I	94.6	Very high	93.2	Very high	71 Å²	71	33.9 Å²	33.9	36%	0.364	20%	0.203	S	C	.	.	S	Bend	trans	-141.1	-46	-175.1	-44.8	173.4	0	0	0	111.9	H287 E312 Y417	H287-I289 WeakPolarHBondContact CE1-CD1 3.37Å; H287-I289 WeakPolarHBondContact NE2-CD1 3.42Å; H287-I289 VanDerWaalsContact NE2-CG1 3.35Å; H287-I289 WeakPolarHBondContact NE2-CG1 3.08Å; I289-E312 HydrophobicContact CG1-CG 4.49Å; I289-E312 PolarHBondContact N-OE1 3.21Å; I289-Y417 PolarHBondContact O-OH 3.32Å
290	D	90.8	Very high	94.2	Very high	77 Å²	77	37.8 Å²	37.8	41%	0.412	21%	0.211	S	C	.	.	S	Bend	trans	-144.4	-8.4	-161.7	67.6	-5.1	0	0	0	115.2	S292 E312	D290-S292 WeakPolarHBondContact OD1-CB 3.36Å; D290-S292 PolarHBondContact OD1-N 3.25Å; D290-S292 PolarHBondContact OD1-OG 2.93Å; D290-E312 PolarHBondContact N-OE1 2.81Å
291	G	91.1	Very high	94.7	Very high	34 Å²	34	38.4 Å²	38.4	35%	0.351	21%	0.21	S	C	.	.	S	Bend	trans	80.2	18.1	-177	0	0	0	0	0	114.9	Q293 E312 Y417	G291-Q293 PolarHBondContact O-N 3.47Å; G291-E312 WeakPolarHBondContact CA-OE2 3.35Å; G291-E312 PolarHBondContact N-OE1 2.99Å; G291-E312 PolarHBondContact N-OE2 3.26Å; G291-Y417 VanDerWaalsContact CA-CB 3.44Å; G291-Y417 VanDerWaalsContact CA-CG 3.41Å
292	S	92.8	Very high	94.9	Very high	82 Å²	82	38 Å²	38	57%	0.573	21%	0.208	S	C	*	.			trans	-66.2	-23.4	176.7	54	0	0	0	0	113.8	D290 E312	D290-S292 WeakPolarHBondContact OD1-CB 3.36Å; D290-S292 PolarHBondContact OD1-N 3.25Å; D290-S292 PolarHBondContact OD1-OG 2.93Å; S292-E312 PolarHBondContact N-OE2 3.47Å
293	Q	94.8	Very high	95	Very high	46 Å²	46	38.7 Å²	38.7	22%	0.215	21%	0.211	C	C	.	.	S	Bend	trans	-109.2	135.5	178.2	179.3	57.1	53.3	0	0	111.4	G291 F295 F306 G307 E312	G291-Q293 PolarHBondContact O-N 3.47Å; Q293-F295 HydrophobicContact CB-CD2 4.33Å; Q293-F295 HydrophobicContact CB-CE2 3.88Å; Q293-F295 HydrophobicContact CG-CD2 4.09Å; Q293-F295 HydrophobicContact CG-CE2 3.75Å; Q293-F295 WeakPolarHBondContact O-CD2 3.39Å; Q293-F306 HydrophobicContact CG-CD2 3.86Å; Q293-F306 HydrophobicContact CG-CE2 4.11Å; Q293-G307 VanDerWaalsContact OE1-CA 3.22Å; Q293-E312 HydrophobicContact CB-CB 3.61Å; Q293-E312 PolarHBondContact N-OE2 2.97Å; Q293-E312 VanDerWaalsContact N-OE2 3.11Å
294	N	92.1	Very high	95	Very high	91 Å²	91	44.5 Å²	44.5	49%	0.487	23%	0.234	S	C	.	.			trans	-74.9	127.6	168.8	-175.7	21.1	0	0	0	109.7	N296 E297 F306	N294-N296 WeakPolarHBondContact OD1-CB 3.46Å; N294-N296 PolarHBondContact OD1-N 3.35Å; N294-E297 WeakPolarHBondContact O-CG 3.47Å; N294-F306 WeakPolarHBondContact O-CE2 3.42Å
295	F	94.1	Very high	95.1	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.013	24%	0.244	C	C	.	.			trans	-104.1	-5.4	174.1	-82.6	-110.4	0	0	0	112.1	Q286 R288 Q293 E297 Y302 F306 E312 W314 G400 N414	Q286-F295 HydrophobicContact CG-CE1 4.12Å; R288-F295 HydrophobicContact CG-CZ 4.48Å; R288-F295 VanDerWaalsContact NE-CD2 3.35Å; Q293-F295 HydrophobicContact CB-CD2 4.33Å; Q293-F295 HydrophobicContact CB-CE2 3.88Å; Q293-F295 HydrophobicContact CG-CD2 4.09Å; Q293-F295 HydrophobicContact CG-CE2 3.75Å; Q293-F295 WeakPolarHBondContact O-CD2 3.39Å; F295-E297 PolarHBondContact O-N 2.93Å; F295-Y302 WeakPolarHBondContact O-CE2 3.46Å; F295-Y302 PolarHBondContact O-OH 3.37Å; F295-F306 HydrophobicContact CB-CE2 4.43Å; F295-F306 HydrophobicContact CB-CZ 4.43Å; F295-F306 AromaticContact CD1-CE2 3.74Å; F295-F306 HydrophobicContact CD1-CE2 3.74Å; F295-F306 AromaticContact CD1-CZ 3.69Å; F295-F306 HydrophobicContact CD1-CZ 3.69Å; F295-F306 HydrophobicContact CD2-CE2 4.03Å; F295-F306 AromaticContact CE1-CE2 3.87Å; F295-F306 HydrophobicContact CE1-CE2 3.87Å; F295-F306 HydrophobicContact CE1-CZ 4.04Å; F295-F306 HydrophobicContact CE2-CE2 4.15Å; F295-F306 AromaticContact CG-CE2 3.82Å; F295-F306 HydrophobicContact CG-CE2 3.82Å; F295-F306 HydrophobicContact CG-CZ 4.05Å; F295-F306 HydrophobicContact CZ-CE2 4.06Å; F295-E312 HydrophobicContact CE2-CB 4.27Å; F295-W314 HydrophobicContact CE1-CB 4.12Å; F295-G400 WeakPolarHBondContact O-CA 3.32Å; F295-N414 WeakPolarHBondContact CB-O 3.42Å; F295-N414 HydrophobicContact CD1-CB 4.01Å
296	N	91.6	Very high	95.1	Very high	63 Å²	63	46.5 Å²	46.5	34%	0.337	25%	0.248	S	C	.	.			trans	-77.5	65.5	172	-164.4	48	0	0	0	110.8	N294 G400	N294-N296 WeakPolarHBondContact OD1-CB 3.46Å; N294-N296 PolarHBondContact OD1-N 3.35Å; N296-G400 PolarHBondContact OD1-N 2.93Å
297	E	93	Very high	95	Very high	36 Å²	36	48.3 Å²	48.3	17%	0.168	27%	0.267	C	S	.	.			trans	-106.4	163.5	-172	-68.7	-61.5	157.1	0	0	111.9	N294 F295 N301 Y302 F306 W384	N294-E297 WeakPolarHBondContact O-CG 3.47Å; F295-E297 PolarHBondContact O-N 2.93Å; E297-N301 HydrophobicContact CB-CB 3.91Å; E297-N301 PolarHBondContact OE2-ND2 3.08Å; E297-Y302 HydrophobicContact CB-CD2 4.07Å; E297-Y302 HydrophobicContact CB-CE2 3.89Å; E297-F306 HydrophobicContact CB-CD1 4.12Å; E297-F306 HydrophobicContact CB-CE1 3.82Å; E297-F306 HydrophobicContact CB-CZ 4.16Å; E297-F306 HydrophobicContact CG-CD1 3.99Å; E297-F306 HydrophobicContact CG-CD2 4.09Å; E297-F306 HydrophobicContact CG-CE1 3.9Å; E297-F306 HydrophobicContact CG-CE2 4.01Å; E297-F306 HydrophobicContact CG-CG 4.07Å; E297-F306 HydrophobicContact CG-CZ 3.91Å; E297-W384 PolarHBondContact O-NE1 3.23Å
298	T	93.1	Very high	94.9	Very high	35 Å²	35	54.7 Å²	54.7	22%	0.215	29%	0.29	C	S	.	.			trans	-72.4	163.9	179	58.6	0	0	0	0	112.4	E300 N301 Y302 W384 D385	T298-E300 PolarHBondContact O-N 3Å; T298-N301 PolarHBondContact O-N 2.71Å; T298-N301 PolarHBondContact OG1-N 2.77Å; T298-Y302 WeakPolarHBondContact O-CD2 3.43Å; T298-Y302 PolarHBondContact O-N 2.84Å; T298-W384 HydrophobicContact CG2-CZ2 3.71Å; T298-D385 WeakPolarHBondContact CA-OD1 3.15Å; T298-D385 WeakPolarHBondContact CB-OD2 3.49Å
299	W	93.9	Very high	94.8	Very high	22 Å²	22	56.2 Å²	56.2	8%	0.083	30%	0.298	C	S	.	.	H	α-helix	trans	-50.6	-45.1	169.5	178.7	-104.2	0	0	0	112.9	N301 Y302 K303 N357 Y358 F381 T383 D385 H386	W299-N301 PolarHBondContact O-N 2.85Å; W299-Y302 PolarHBondContact O-N 3.28Å; W299-K303 WeakPolarHBondContact O-CB 3.17Å; W299-K303 PolarHBondContact O-N 3.23Å; W299-N357 HydrophobicContact CH2-CB 3.99Å; W299-Y358 AromaticContact CH2-CD2 3.7Å; W299-Y358 HydrophobicContact CH2-CD2 3.7Å; W299-Y358 AromaticContact CH2-CE2 3.95Å; W299-Y358 HydrophobicContact CH2-CE2 3.95Å; W299-Y358 AromaticContact CZ2-CD2 3.93Å; W299-Y358 HydrophobicContact CZ2-CD2 3.93Å; W299-Y358 AromaticContact CZ2-CE2 3.68Å; W299-Y358 HydrophobicContact CZ2-CE2 3.68Å; W299-F381 HydrophobicContact CE3-CD1 4.19Å; W299-F381 HydrophobicContact CZ3-CB 4.19Å; W299-F381 AromaticContact CZ3-CD1 3.72Å; W299-F381 HydrophobicContact CZ3-CD1 3.72Å; W299-F381 HydrophobicContact CZ3-CG 4.43Å; W299-F381 WeakPolarHBondContact CZ3-O 3.49Å; W299-T383 WeakPolarHBondContact CB-OG1 3.17Å; W299-T383 HydrophobicContact CE3-CG2 4.39Å; W299-T383 PolarHBondContact N-OG1 2.94Å; W299-D385 PolarHBondContact N-OD1 3.46Å; W299-D385 PolarHBondContact N-OD2 2.93Å; W299-H386 HydrophobicContact CB-CB 3.52Å; W299-H386 HydrophobicContact CD2-CB 3.73Å; W299-H386 AromaticContact CD2-CD2 3.51Å; W299-H386 AromaticContact CD2-CG 3.61Å; W299-H386 AromaticContact CE2-CD2 3.76Å; W299-H386 AromaticContact CE2-NE2 3.9Å; W299-H386 HydrophobicContact CE3-CB 3.77Å; W299-H386 AromaticContact CE3-CD2 3.32Å; W299-H386 AromaticContact CE3-CG 3.75Å; W299-H386 HydrophobicContact CG-CB 3.63Å; W299-H386 AromaticContact CG-CG 3.85Å; W299-H386 AromaticContact CH2-CD2 3.68Å; W299-H386 AromaticContact CH2-NE2 3.82Å; W299-H386 AromaticContact CZ2-CD2 3.87Å; W299-H386 AromaticContact CZ2-NE2 3.76Å; W299-H386 AromaticContact CZ3-CD2 3.39Å; W299-H386 WeakPolarHBondContact CZ3-CD2 3.12Å
300	E	96.4	Very high	94.6	Very high	123 Å²	123	58.3 Å²	58.3	58%	0.575	31%	0.31	S	S	*	.	H	α-helix	trans	-62.9	-42.2	-179	-173.1	168.5	-155.2	0	0	111.9	T298 K303 Y304	T298-E300 PolarHBondContact O-N 3Å; E300-K303 WeakPolarHBondContact O-CB 3.09Å; E300-K303 PolarHBondContact O-N 3.42Å; E300-Y304 HydrophobicContact CG-CD2 3.87Å; E300-Y304 HydrophobicContact CG-CE2 3.88Å; E300-Y304 WeakPolarHBondContact O-CD2 3.38Å; E300-Y304 PolarHBondContact O-N 2.88Å; E300-Y304 VanDerWaalsContact O-N 3.08Å
301	N	97.3	Very high	94.8	Very high	62 Å²	62	55.4 Å²	55.4	33%	0.332	30%	0.298	S	S	.	.	H	α-helix	trans	-66.8	-40.4	175.8	-73.7	-8.4	0	0	0	111.3	E297 T298 W299 K303 Y304 G305 F306	E297-N301 HydrophobicContact CB-CB 3.91Å; E297-N301 PolarHBondContact OE2-ND2 3.08Å; T298-N301 PolarHBondContact O-N 2.71Å; T298-N301 PolarHBondContact OG1-N 2.77Å; W299-N301 PolarHBondContact O-N 2.85Å; N301-K303 VanDerWaalsContact C-N 3.28Å; N301-K303 PolarHBondContact O-N 3.27Å; N301-Y304 PolarHBondContact O-N 3.25Å; N301-G305 CarbonylContact O-C 3.57Å; N301-G305 VanDerWaalsContact O-CA 3.28Å; N301-G305 WeakPolarHBondContact O-CA 3.42Å; N301-G305 PolarHBondContact O-N 3.26Å; N301-F306 HydrophobicContact CB-CD1 4.09Å
302	Y	97.5	Very high	95.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65	-31.5	173.1	-91.6	-74.5	0	0	0	113.4	F295 E297 T298 W299 F306 W314 G316 L317 F381 T383 G401 N414	F295-Y302 WeakPolarHBondContact O-CE2 3.46Å; F295-Y302 PolarHBondContact O-OH 3.37Å; E297-Y302 HydrophobicContact CB-CD2 4.07Å; E297-Y302 HydrophobicContact CB-CE2 3.89Å; T298-Y302 WeakPolarHBondContact O-CD2 3.43Å; T298-Y302 PolarHBondContact O-N 2.84Å; W299-Y302 PolarHBondContact O-N 3.28Å; Y302-F306 AromaticContact CD1-CE1 3.81Å; Y302-F306 HydrophobicContact CD1-CE1 3.81Å; Y302-F306 HydrophobicContact CD1-CZ 4.34Å; Y302-F306 HydrophobicContact CD2-CE1 4.04Å; Y302-F306 AromaticContact CE1-CE1 3.73Å; Y302-F306 HydrophobicContact CE1-CE1 3.73Å; Y302-F306 AromaticContact CE1-CZ 3.79Å; Y302-F306 HydrophobicContact CE1-CZ 3.79Å; Y302-F306 AromaticContact CE2-CE1 3.98Å; Y302-F306 HydrophobicContact CE2-CE1 3.98Å; Y302-F306 HydrophobicContact CE2-CZ 4.16Å; Y302-F306 AromaticContact CG-CE1 3.97Å; Y302-F306 HydrophobicContact CG-CE1 3.97Å; Y302-F306 AromaticContact CZ-CE1 3.82Å; Y302-F306 AromaticContact CZ-CZ 3.69Å; Y302-W314 AromaticContact CD1-CD1 3.62Å; Y302-W314 HydrophobicContact CD1-CD2 4.01Å; Y302-W314 AromaticContact CD1-CE2 3.74Å; Y302-W314 AromaticContact CD1-CG 3.96Å; Y302-W314 HydrophobicContact CD1-CG 3.96Å; Y302-W314 HydrophobicContact CD1-CZ2 4.33Å; Y302-W314 AromaticContact CD1-NE1 3.5Å; Y302-W314 HydrophobicContact CE1-CD2 4.03Å; Y302-W314 HydrophobicContact CE1-CG 4.05Å; Y302-W314 PolarHBondContact O-NE1 3.15Å; Y302-G316 WeakPolarHBondContact O-CA 3.44Å; Y302-L317 WeakPolarHBondContact O-CG 3.44Å; Y302-L317 PolarHBondContact O-N 3.09Å; Y302-F381 AromaticContact CD1-CE1 3.74Å; Y302-F381 HydrophobicContact CD1-CE1 3.74Å; Y302-F381 AromaticContact CD1-CZ 3.38Å; Y302-F381 HydrophobicContact CD1-CZ 3.38Å; Y302-F381 HydrophobicContact CD2-CE1 4.37Å; Y302-F381 HydrophobicContact CE1-CE1 4.43Å; Y302-F381 AromaticContact CE1-CZ 3.79Å; Y302-F381 HydrophobicContact CE1-CZ 3.79Å; Y302-F381 AromaticContact CG-CE1 3.7Å; Y302-F381 HydrophobicContact CG-CE1 3.7Å; Y302-F381 AromaticContact CG-CZ 3.86Å; Y302-F381 HydrophobicContact CG-CZ 3.86Å; Y302-T383 HydrophobicContact CD2-CG2 3.46Å; Y302-T383 VanDerWaalsContact CD2-CG2 3.46Å; Y302-T383 HydrophobicContact CE2-CG2 4.11Å; Y302-T383 HydrophobicContact CG-CG2 4.06Å; Y302-G401 PolarHBondContact OH-N 2.97Å; Y302-N414 WeakPolarHBondContact OH-CB 3.21Å
303	K	97.2	Very high	95.4	Very high	32 Å²	32	50.1 Å²	50.1	14%	0.139	26%	0.255	C	S	.	.	H	α-helix	trans	-66.9	-48	177.2	-174.8	173.8	-178.8	175.4	0	111.8	W299 E300 N301 G316 L317 E318 H354 Y358	W299-K303 WeakPolarHBondContact O-CB 3.17Å; W299-K303 PolarHBondContact O-N 3.23Å; E300-K303 WeakPolarHBondContact O-CB 3.09Å; E300-K303 PolarHBondContact O-N 3.42Å; N301-K303 VanDerWaalsContact C-N 3.28Å; N301-K303 PolarHBondContact O-N 3.27Å; K303-G316 CarbonylContact O-C 3.57Å; K303-L317 PolarHBondContact O-N 3.12Å; K303-E318 HydrophobicContact CD-CG 4.25Å; K303-E318 WeakPolarHBondContact CE-OE1 3.39Å; K303-E318 HydrophobicContact CG-CG 3.59Å; K303-E318 IonicContact NZ-OE1 3.15Å; K303-E318 PolarHBondContact O-N 2.76Å; K303-H354 PolarHBondContact NZ-CD2 3.29Å; K303-H354 PolarHBondContact NZ-NE2 2.99Å; K303-Y358 WeakPolarHBondContact CE-OH 3.34Å; K303-Y358 WeakPolarHBondContact CG-OH 3.12Å
304	Y	97.5	Very high	95.6	Very high	124 Å²	124	48 Å²	48	49%	0.486	25%	0.245	S	C	.	.	H	α-helix	trans	-98.3	-13.9	-174.1	-62.1	-61.3	0	0	0	115.1	E300 N301 K319	E300-Y304 HydrophobicContact CG-CD2 3.87Å; E300-Y304 HydrophobicContact CG-CE2 3.88Å; E300-Y304 WeakPolarHBondContact O-CD2 3.38Å; E300-Y304 PolarHBondContact O-N 2.88Å; E300-Y304 VanDerWaalsContact O-N 3.08Å; N301-Y304 PolarHBondContact O-N 3.25Å; Y304-K319 WeakPolarHBondContact O-CE 3.43Å; Y304-K319 PolarHBondContact O-NZ 2.84Å
305	G	97.9	Very high	95.9	Very high	21 Å²	21	43.9 Å²	43.9	22%	0.216	22%	0.223	C	C	.	.			trans	96.3	157.6	179.9	0	0	0	0	0	113.5	N301 W314 L315	N301-G305 CarbonylContact O-C 3.57Å; N301-G305 VanDerWaalsContact O-CA 3.28Å; N301-G305 WeakPolarHBondContact O-CA 3.42Å; N301-G305 PolarHBondContact O-N 3.26Å; G305-W314 CarbonylContact C-O 3.57Å; G305-W314 WeakPolarHBondContact CA-O 3.33Å; G305-L315 WeakPolarHBondContact CA-O 3.32Å
306	F	98.3	Very high	96.1	Very high	25 Å²	25	43.7 Å²	43.7	11%	0.11	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	165.9	179.7	58.1	-96.5	0	0	0	111	Q293 N294 F295 E297 N301 Y302 F313 W314	Q293-F306 HydrophobicContact CG-CD2 3.86Å; Q293-F306 HydrophobicContact CG-CE2 4.11Å; N294-F306 WeakPolarHBondContact O-CE2 3.42Å; F295-F306 HydrophobicContact CB-CE2 4.43Å; F295-F306 HydrophobicContact CB-CZ 4.43Å; F295-F306 AromaticContact CD1-CE2 3.74Å; F295-F306 HydrophobicContact CD1-CE2 3.74Å; F295-F306 AromaticContact CD1-CZ 3.69Å; F295-F306 HydrophobicContact CD1-CZ 3.69Å; F295-F306 HydrophobicContact CD2-CE2 4.03Å; F295-F306 AromaticContact CE1-CE2 3.87Å; F295-F306 HydrophobicContact CE1-CE2 3.87Å; F295-F306 HydrophobicContact CE1-CZ 4.04Å; F295-F306 HydrophobicContact CE2-CE2 4.15Å; F295-F306 AromaticContact CG-CE2 3.82Å; F295-F306 HydrophobicContact CG-CE2 3.82Å; F295-F306 HydrophobicContact CG-CZ 4.05Å; F295-F306 HydrophobicContact CZ-CE2 4.06Å; E297-F306 HydrophobicContact CB-CD1 4.12Å; E297-F306 HydrophobicContact CB-CE1 3.82Å; E297-F306 HydrophobicContact CB-CZ 4.16Å; E297-F306 HydrophobicContact CG-CD1 3.99Å; E297-F306 HydrophobicContact CG-CD2 4.09Å; E297-F306 HydrophobicContact CG-CE1 3.9Å; E297-F306 HydrophobicContact CG-CE2 4.01Å; E297-F306 HydrophobicContact CG-CG 4.07Å; E297-F306 HydrophobicContact CG-CZ 3.91Å; N301-F306 HydrophobicContact CB-CD1 4.09Å; Y302-F306 AromaticContact CD1-CE1 3.81Å; Y302-F306 HydrophobicContact CD1-CE1 3.81Å; Y302-F306 HydrophobicContact CD1-CZ 4.34Å; Y302-F306 HydrophobicContact CD2-CE1 4.04Å; Y302-F306 AromaticContact CE1-CE1 3.73Å; Y302-F306 HydrophobicContact CE1-CE1 3.73Å; Y302-F306 AromaticContact CE1-CZ 3.79Å; Y302-F306 HydrophobicContact CE1-CZ 3.79Å; Y302-F306 AromaticContact CE2-CE1 3.98Å; Y302-F306 HydrophobicContact CE2-CE1 3.98Å; Y302-F306 HydrophobicContact CE2-CZ 4.16Å; Y302-F306 AromaticContact CG-CE1 3.97Å; Y302-F306 HydrophobicContact CG-CE1 3.97Å; Y302-F306 AromaticContact CZ-CE1 3.82Å; Y302-F306 AromaticContact CZ-CZ 3.69Å; F306-F313 WeakPolarHBondContact O-CA 3.22Å; F306-F313 WeakPolarHBondContact O-CB 3.33Å; F306-W314 HydrophobicContact CD1-CB 4.06Å; F306-W314 HydrophobicContact CD2-CB 4.29Å; F306-W314 HydrophobicContact CE1-CB 3.64Å; F306-W314 AromaticContact CE1-CD1 3.94Å; F306-W314 AromaticContact CE1-CG 3.98Å; F306-W314 HydrophobicContact CE1-CG 3.98Å; F306-W314 HydrophobicContact CE2-CB 3.88Å; F306-W314 HydrophobicContact CG-CB 4.38Å; F306-W314 HydrophobicContact CZ-CB 3.54Å; F306-W314 HydrophobicContact CZ-CG 4.21Å; F306-W314 PolarHBondContact N-O 2.83Å; F306-W314 PolarHBondContact O-N 3.13Å
307	G	97	Very high	96.4	Very high	38 Å²	38	40.7 Å²	40.7	39%	0.392	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	84.6	-167.8	-176.6	0	0	0	0	0	113.6	Q293 E312	Q293-G307 VanDerWaalsContact OE1-CA 3.22Å; G307-E312 WeakPolarHBondContact CA-O 3.28Å
308	R	95.7	Very high	96.6	Very high	161 Å²	161	41.8 Å²	41.8	61%	0.608	21%	0.212	S	C	*	.			trans	-117.7	130.3	-174.1	-61.9	174.8	51.9	143.1	-3.3	111.1	D310 G311 E312 F313	R308-D310 VanDerWaalsContact CB-OD1 3.23Å; R308-D310 WeakPolarHBondContact CB-OD1 3.39Å; R308-D310 IonicContact CZ-OD1 3.5Å; R308-D310 IonicContact CZ-OD2 3.71Å; R308-D310 IonicContact NE-OD1 2.9Å; R308-D310 PolarHBondContact NE-OD1 3.47Å; R308-D310 IonicContact NE-OD2 3.88Å; R308-D310 IonicContact NH2-OD1 3.24Å; R308-D310 PolarHBondContact NH2-OD1 2.86Å; R308-D310 IonicContact NH2-OD2 2.71Å; R308-D310 PolarHBondContact NH2-OD2 3.23Å; R308-D310 PolarHBondContact O-N 3.02Å; R308-D310 VanDerWaalsContact O-N 3.16Å; R308-G311 CarbonylContact O-C 3.55Å; R308-G311 VanDerWaalsContact O-C 3.32Å; R308-G311 PolarHBondContact O-N 3.25Å; R308-E312 PolarHBondContact N-O 3.17Å; R308-F313 VanDerWaalsContact O-CD1 3.3Å; R308-F313 WeakPolarHBondContact O-CD1 3.47Å
309	L	94.7	Very high	96.8	Very high	35 Å²	35	43 Å²	43	18%	0.183	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.1	-179.5	-66.3	176.5	0	0	0	113.5	M259 H271 Y273 F313 L315	M259-L309 HydrophobicContact CG-CD1 4.05Å; M259-L309 HydrophobicContact SD-CB 4.18Å; M259-L309 HydrophobicContact SD-CD1 3.72Å; H271-L309 HydrophobicContact CB-CD1 3.55Å; H271-L309 WeakPolarHBondContact O-CD1 3.5Å; Y273-L309 VanDerWaalsContact CD2-O 3.26Å; Y273-L309 WeakPolarHBondContact CD2-O 3.22Å; L309-F313 HydrophobicContact CD2-CD1 4.23Å; L309-F313 HydrophobicContact CD2-CD2 3.62Å; L309-F313 HydrophobicContact CD2-CE1 4.05Å; L309-F313 HydrophobicContact CD2-CE2 3.45Å; L309-F313 VanDerWaalsContact CD2-CE2 3.45Å; L309-F313 HydrophobicContact CD2-CG 4Å; L309-F313 HydrophobicContact CD2-CZ 3.65Å; L309-L315 HydrophobicContact CD2-CD1 4.41Å
310	D	90.8	Very high	96.9	Very high	114 Å²	114	42.1 Å²	42.1	61%	0.61	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	6	174.2	67.8	-22.3	0	0	0	113.8	R308	R308-D310 VanDerWaalsContact CB-OD1 3.23Å; R308-D310 WeakPolarHBondContact CB-OD1 3.39Å; R308-D310 IonicContact CZ-OD1 3.5Å; R308-D310 IonicContact CZ-OD2 3.71Å; R308-D310 IonicContact NE-OD1 2.9Å; R308-D310 PolarHBondContact NE-OD1 3.47Å; R308-D310 IonicContact NE-OD2 3.88Å; R308-D310 IonicContact NH2-OD1 3.24Å; R308-D310 PolarHBondContact NH2-OD1 2.86Å; R308-D310 IonicContact NH2-OD2 2.71Å; R308-D310 PolarHBondContact NH2-OD2 3.23Å; R308-D310 PolarHBondContact O-N 3.02Å; R308-D310 VanDerWaalsContact O-N 3.16Å
311	G	94.8	Very high	97	Very high	17 Å²	17	38.3 Å²	38.3	18%	0.175	19%	0.191	C	C	.	.	S	Bend	trans	-143.3	-132.1	179.4	0	0	0	0	0	111.5	H287 R308	H287-G311 PolarHBondContact ND1-O 2.9Å; R308-G311 CarbonylContact O-C 3.55Å; R308-G311 VanDerWaalsContact O-C 3.32Å; R308-G311 PolarHBondContact O-N 3.25Å
312	E	97.5	Very high	96.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	18%	0.181	C	C	.	.	S	Bend	trans	-87.5	133.8	172.2	-64.4	-163.4	151.7	0	0	111.6	H287 R288 I289 D290 G291 S292 Q293 F295 G307 R308	H287-E312 VanDerWaalsContact O-CA 3.27Å; H287-E312 WeakPolarHBondContact O-CA 3.19Å; H287-E312 WeakPolarHBondContact O-CB 3.45Å; R288-E312 WeakPolarHBondContact CA-OE1 3.43Å; R288-E312 IonicContact NE-OE1 3.71Å; R288-E312 IonicContact NE-OE2 2.71Å; I289-E312 HydrophobicContact CG1-CG 4.49Å; I289-E312 PolarHBondContact N-OE1 3.21Å; D290-E312 PolarHBondContact N-OE1 2.81Å; G291-E312 WeakPolarHBondContact CA-OE2 3.35Å; G291-E312 PolarHBondContact N-OE1 2.99Å; G291-E312 PolarHBondContact N-OE2 3.26Å; S292-E312 PolarHBondContact N-OE2 3.47Å; Q293-E312 HydrophobicContact CB-CB 3.61Å; Q293-E312 PolarHBondContact N-OE2 2.97Å; Q293-E312 VanDerWaalsContact N-OE2 3.11Å; F295-E312 HydrophobicContact CE2-CB 4.27Å; G307-E312 WeakPolarHBondContact CA-O 3.28Å; R308-E312 PolarHBondContact N-O 3.17Å
313	F	98.3	Very high	96.8	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	164.2	179.6	71.4	-86.9	0	0	0	113.9	L284 Q286 H287 F306 R308 L309 L315	L284-F313 HydrophobicContact CB-CZ 4.04Å; L284-F313 HydrophobicContact CD2-CE1 4.22Å; L284-F313 HydrophobicContact CD2-CZ 4.31Å; Q286-F313 WeakPolarHBondContact CA-O 3.47Å; H287-F313 HydrophobicContact CB-CD1 3.96Å; H287-F313 HydrophobicContact CB-CE1 3.86Å; H287-F313 PolarHBondContact N-O 3.4Å; H287-F313 PolarHBondContact O-N 2.97Å; F306-F313 WeakPolarHBondContact O-CA 3.22Å; F306-F313 WeakPolarHBondContact O-CB 3.33Å; R308-F313 VanDerWaalsContact O-CD1 3.3Å; R308-F313 WeakPolarHBondContact O-CD1 3.47Å; L309-F313 HydrophobicContact CD2-CD1 4.23Å; L309-F313 HydrophobicContact CD2-CD2 3.62Å; L309-F313 HydrophobicContact CD2-CE1 4.05Å; L309-F313 HydrophobicContact CD2-CE2 3.45Å; L309-F313 VanDerWaalsContact CD2-CE2 3.45Å; L309-F313 HydrophobicContact CD2-CG 4Å; L309-F313 HydrophobicContact CD2-CZ 3.65Å; F313-L315 HydrophobicContact CD2-CB 4.48Å; F313-L315 HydrophobicContact CE2-CB 4.21Å
314	W	98.5	Very high	96.7	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.2	163	176.1	-104.1	0	0	0	108.6	Q286 F295 Y302 G305 F306 G316 L317 I320 F381 W403 M449	Q286-W314 HydrophobicContact CB-CE3 3.8Å; Q286-W314 HydrophobicContact CB-CZ3 3.96Å; Q286-W314 HydrophobicContact CG-CE3 3.74Å; Q286-W314 HydrophobicContact CG-CZ3 4.08Å; F295-W314 HydrophobicContact CE1-CB 4.12Å; Y302-W314 AromaticContact CD1-CD1 3.62Å; Y302-W314 HydrophobicContact CD1-CD2 4.01Å; Y302-W314 AromaticContact CD1-CE2 3.74Å; Y302-W314 AromaticContact CD1-CG 3.96Å; Y302-W314 HydrophobicContact CD1-CG 3.96Å; Y302-W314 HydrophobicContact CD1-CZ2 4.33Å; Y302-W314 AromaticContact CD1-NE1 3.5Å; Y302-W314 HydrophobicContact CE1-CD2 4.03Å; Y302-W314 HydrophobicContact CE1-CG 4.05Å; Y302-W314 PolarHBondContact O-NE1 3.15Å; G305-W314 CarbonylContact C-O 3.57Å; G305-W314 WeakPolarHBondContact CA-O 3.33Å; F306-W314 HydrophobicContact CD1-CB 4.06Å; F306-W314 HydrophobicContact CD2-CB 4.29Å; F306-W314 HydrophobicContact CE1-CB 3.64Å; F306-W314 AromaticContact CE1-CD1 3.94Å; F306-W314 AromaticContact CE1-CG 3.98Å; F306-W314 HydrophobicContact CE1-CG 3.98Å; F306-W314 HydrophobicContact CE2-CB 3.88Å; F306-W314 HydrophobicContact CG-CB 4.38Å; F306-W314 HydrophobicContact CZ-CB 3.54Å; F306-W314 HydrophobicContact CZ-CG 4.21Å; F306-W314 PolarHBondContact N-O 2.83Å; F306-W314 PolarHBondContact O-N 3.13Å; W314-G316 VanDerWaalsContact C-N 3.28Å; W314-G316 PolarHBondContact O-N 2.93Å; W314-L317 HydrophobicContact CZ2-CD2 3.76Å; W314-L317 HydrophobicContact CZ2-CG 4.02Å; W314-I320 HydrophobicContact CH2-CD1 4.12Å; W314-I320 HydrophobicContact CZ2-CD1 3.79Å; W314-F381 HydrophobicContact CH2-CE2 4.25Å; W314-F381 HydrophobicContact CZ2-CE2 4.12Å; W314-F381 HydrophobicContact CZ2-CZ 4.26Å; W314-W403 AromaticContact CH2-CH2 3.57Å; W314-W403 HydrophobicContact CH2-CH2 3.57Å; W314-W403 HydrophobicContact CH2-CZ2 4.44Å; W314-W403 AromaticContact CH2-CZ3 3.88Å; W314-W403 HydrophobicContact CH2-CZ3 3.88Å; W314-W403 HydrophobicContact CZ2-CH2 4.28Å; W314-M449 HydrophobicContact CZ3-SD 4.47Å
315	L	98.4	Very high	96.5	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	19%	0.185	C	C	.	.			trans	-63.3	-36.2	-172	-178.2	61.7	0	0	0	112.6	V272 I285 G305 L309 F313 K319 I320 I323	V272-L315 HydrophobicContact CG1-CD1 4.02Å; V272-L315 HydrophobicContact CG1-CD2 4.1Å; I285-L315 HydrophobicContact CB-CB 4.4Å; I285-L315 HydrophobicContact CB-CD2 4.45Å; I285-L315 HydrophobicContact CG2-CD2 3.92Å; I285-L315 WeakPolarHBondContact O-CB 3.46Å; I285-L315 PolarHBondContact O-N 3.32Å; G305-L315 WeakPolarHBondContact CA-O 3.32Å; L309-L315 HydrophobicContact CD2-CD1 4.41Å; F313-L315 HydrophobicContact CD2-CB 4.48Å; F313-L315 HydrophobicContact CE2-CB 4.21Å; L315-K319 HydrophobicContact CD1-CD 4.07Å; L315-K319 HydrophobicContact CD2-CB 4.34Å; L315-K319 HydrophobicContact CG-CB 3.99Å; L315-K319 HydrophobicContact CG-CD 4.26Å; L315-K319 WeakPolarHBondContact O-CD 3.47Å; L315-K319 PolarHBondContact O-NZ 3.29Å; L315-K319 VanDerWaalsContact O-NZ 3.11Å; L315-I320 HydrophobicContact CB-CD1 4.41Å; L315-I320 HydrophobicContact CB-CG1 4.16Å; L315-I320 HydrophobicContact CD2-CG1 4.07Å; L315-I320 HydrophobicContact CG-CG1 4.4Å; L315-I323 HydrophobicContact CD2-CD1 3.9Å
316	G	98.1	Very high	96.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.			trans	114.4	132	-175.9	0	0	0	0	0	112	Y302 K303 W314 E318 K319 I320	Y302-G316 WeakPolarHBondContact O-CA 3.44Å; K303-G316 CarbonylContact O-C 3.57Å; W314-G316 VanDerWaalsContact C-N 3.28Å; W314-G316 PolarHBondContact O-N 2.93Å; G316-E318 VanDerWaalsContact C-N 3.33Å; G316-E318 PolarHBondContact O-N 3.29Å; G316-K319 PolarHBondContact O-N 3.42Å; G316-K319 VanDerWaalsContact O-N 3.15Å; G316-I320 VanDerWaalsContact O-CG1 3.26Å; G316-I320 WeakPolarHBondContact O-CG1 3.36Å; G316-I320 PolarHBondContact O-N 2.82Å
317	L	98	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.2	-39	-176.1	-68.7	157.9	0	0	0	113	Y302 K303 W314 K319 I320 Y321 Y358 F381 W403	Y302-L317 WeakPolarHBondContact O-CG 3.44Å; Y302-L317 PolarHBondContact O-N 3.09Å; K303-L317 PolarHBondContact O-N 3.12Å; W314-L317 HydrophobicContact CZ2-CD2 3.76Å; W314-L317 HydrophobicContact CZ2-CG 4.02Å; L317-K319 VanDerWaalsContact C-N 3.35Å; L317-K319 PolarHBondContact O-N 3.43Å; L317-I320 PolarHBondContact O-N 2.86Å; L317-Y321 WeakPolarHBondContact O-CB 3.43Å; L317-Y321 PolarHBondContact O-N 3.43Å; L317-Y358 HydrophobicContact CB-CD1 3.84Å; L317-Y358 HydrophobicContact CB-CD2 3.84Å; L317-Y358 HydrophobicContact CB-CE1 3.79Å; L317-Y358 HydrophobicContact CB-CE2 3.76Å; L317-Y358 HydrophobicContact CB-CG 3.87Å; L317-Y358 HydrophobicContact CD1-CD2 3.59Å; L317-Y358 HydrophobicContact CD1-CE2 3.85Å; L317-Y358 HydrophobicContact CD1-CG 4.19Å; L317-Y358 HydrophobicContact CD2-CD2 4.29Å; L317-Y358 HydrophobicContact CD2-CG 4.05Å; L317-Y358 HydrophobicContact CG-CD2 4.11Å; L317-Y358 HydrophobicContact CG-CE2 4.37Å; L317-Y358 HydrophobicContact CG-CG 4.25Å; L317-F381 HydrophobicContact CD1-CD1 3.56Å; L317-F381 HydrophobicContact CD1-CD2 4.38Å; L317-F381 HydrophobicContact CD1-CE1 3.71Å; L317-F381 HydrophobicContact CD1-CE2 4.49Å; L317-F381 HydrophobicContact CD1-CG 3.92Å; L317-F381 HydrophobicContact CD1-CZ 4.18Å; L317-F381 HydrophobicContact CD2-CD2 4Å; L317-F381 HydrophobicContact CD2-CE2 4.16Å; L317-F381 HydrophobicContact CD2-CG 4.23Å; L317-W403 HydrophobicContact CD2-CZ2 3.99Å
318	E	96.9	Very high	95.6	Very high	59 Å²	59	41.9 Å²	41.9	28%	0.276	21%	0.206	S	C	.	.	H	α-helix	trans	-63.8	-41.1	176.3	-75.8	-65.8	162.8	0	0	111.9	K303 G316 S322 Y358	K303-E318 HydrophobicContact CD-CG 4.25Å; K303-E318 WeakPolarHBondContact CE-OE1 3.39Å; K303-E318 HydrophobicContact CG-CG 3.59Å; K303-E318 IonicContact NZ-OE1 3.15Å; K303-E318 PolarHBondContact O-N 2.76Å; G316-E318 VanDerWaalsContact C-N 3.33Å; G316-E318 PolarHBondContact O-N 3.29Å; E318-S322 WeakPolarHBondContact O-CB 3.48Å; E318-S322 PolarHBondContact O-N 2.83Å; E318-Y358 WeakPolarHBondContact CG-OH 3.32Å; E318-Y358 PolarHBondContact OE1-OH 2.91Å
319	K	97.3	Very high	95.5	Very high	61 Å²	61	34.4 Å²	34.4	27%	0.265	18%	0.178	S	C	.	.	H	α-helix	trans	-67.6	-46.8	178.3	-64.5	-174.5	-162.2	136.4	0	110.6	F270 Y304 L315 G316 L317 Y321 S322 I323	F270-K319 HydrophobicContact CB-CD 4.13Å; F270-K319 HydrophobicContact CD1-CD 4.18Å; F270-K319 HydrophobicContact CD1-CG 4.07Å; F270-K319 HydrophobicContact CD2-CB 4.35Å; F270-K319 HydrophobicContact CD2-CD 3.63Å; F270-K319 HydrophobicContact CD2-CG 4.18Å; F270-K319 HydrophobicContact CE1-CB 4.12Å; F270-K319 HydrophobicContact CE1-CG 4.04Å; F270-K319 HydrophobicContact CE2-CB 3.81Å; F270-K319 HydrophobicContact CE2-CD 3.96Å; F270-K319 HydrophobicContact CE2-CG 4.12Å; F270-K319 HydrophobicContact CG-CD 3.73Å; F270-K319 HydrophobicContact CG-CG 4.13Å; F270-K319 HydrophobicContact CZ-CB 3.68Å; F270-K319 HydrophobicContact CZ-CD 4.39Å; F270-K319 HydrophobicContact CZ-CG 4.05Å; Y304-K319 WeakPolarHBondContact O-CE 3.43Å; Y304-K319 PolarHBondContact O-NZ 2.84Å; L315-K319 HydrophobicContact CD1-CD 4.07Å; L315-K319 HydrophobicContact CD2-CB 4.34Å; L315-K319 HydrophobicContact CG-CB 3.99Å; L315-K319 HydrophobicContact CG-CD 4.26Å; L315-K319 WeakPolarHBondContact O-CD 3.47Å; L315-K319 PolarHBondContact O-NZ 3.29Å; L315-K319 VanDerWaalsContact O-NZ 3.11Å; G316-K319 PolarHBondContact O-N 3.42Å; G316-K319 VanDerWaalsContact O-N 3.15Å; L317-K319 VanDerWaalsContact C-N 3.35Å; L317-K319 PolarHBondContact O-N 3.43Å; K319-Y321 PolarHBondContact O-N 2.87Å; K319-S322 PolarHBondContact O-N 2.84Å; K319-S322 PolarHBondContact O-OG 3.37Å; K319-I323 WeakPolarHBondContact O-CG1 3.48Å; K319-I323 PolarHBondContact O-N 3.36Å; K319-I323 VanDerWaalsContact O-N 3.14Å
320	I	97.7	Very high	95.5	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-59	-49.2	176.7	-61.8	164.2	0	0	0	110	I285 W314 L315 G316 L317 S322 I323 V324 L351	I285-I320 HydrophobicContact CB-CD1 4Å; I285-I320 HydrophobicContact CB-CG1 3.98Å; I285-I320 HydrophobicContact CD1-CD1 4.23Å; I285-I320 HydrophobicContact CD1-CG2 4.36Å; I285-I320 HydrophobicContact CG2-CG1 3.96Å; W314-I320 HydrophobicContact CH2-CD1 4.12Å; W314-I320 HydrophobicContact CZ2-CD1 3.79Å; L315-I320 HydrophobicContact CB-CD1 4.41Å; L315-I320 HydrophobicContact CB-CG1 4.16Å; L315-I320 HydrophobicContact CD2-CG1 4.07Å; L315-I320 HydrophobicContact CG-CG1 4.4Å; G316-I320 VanDerWaalsContact O-CG1 3.26Å; G316-I320 WeakPolarHBondContact O-CG1 3.36Å; G316-I320 PolarHBondContact O-N 2.82Å; L317-I320 PolarHBondContact O-N 2.86Å; I320-S322 VanDerWaalsContact C-N 3.32Å; I320-S322 PolarHBondContact O-N 2.99Å; I320-I323 PolarHBondContact O-N 2.88Å; I320-I323 VanDerWaalsContact O-N 3.13Å; I320-V324 HydrophobicContact CG2-CG1 4.36Å; I320-V324 WeakPolarHBondContact O-CG1 3.42Å; I320-V324 WeakPolarHBondContact O-CG2 3.47Å; I320-V324 PolarHBondContact O-N 3.3Å; I320-L351 HydrophobicContact CB-CD2 4.26Å; I320-L351 HydrophobicContact CG2-CD2 3.68Å
321	Y	96.9	Very high	95.8	Very high	43 Å²	43	28.1 Å²	28.1	17%	0.169	14%	0.144	C	C	.	.	H	α-helix	trans	-57.2	-43.7	176.9	177.7	-106.8	0	0	0	112.1	L317 K319 I323 V324 K325 L351 G352 N353	L317-Y321 WeakPolarHBondContact O-CB 3.43Å; L317-Y321 PolarHBondContact O-N 3.43Å; K319-Y321 PolarHBondContact O-N 2.87Å; Y321-I323 VanDerWaalsContact C-N 3.26Å; Y321-I323 PolarHBondContact O-N 2.95Å; Y321-V324 PolarHBondContact O-N 2.95Å; Y321-K325 HydrophobicContact CE1-CD 4.06Å; Y321-K325 VanDerWaalsContact O-CB 3.25Å; Y321-K325 WeakPolarHBondContact O-CB 3.5Å; Y321-K325 PolarHBondContact O-N 3.2Å; Y321-L351 WeakPolarHBondContact CD2-O 3.3Å; Y321-L351 WeakPolarHBondContact CE2-O 3.29Å; Y321-G352 WeakPolarHBondContact CD2-O 3.45Å; Y321-N353 HydrophobicContact CE1-CB 4Å; Y321-N353 HydrophobicContact CE2-CB 3.96Å
322	S	96.1	Very high	95.8	Very high	18 Å²	18	29.4 Å²	29.4	13%	0.126	14%	0.144	C	C	.	.	H	α-helix	trans	-62.1	-32	178.6	76	0	0	0	0	113.4	P264 E318 K319 I320	P264-S322 VanDerWaalsContact CB-O 3.3Å; P264-S322 WeakPolarHBondContact CB-O 3.36Å; E318-S322 WeakPolarHBondContact O-CB 3.48Å; E318-S322 PolarHBondContact O-N 2.83Å; K319-S322 PolarHBondContact O-N 2.84Å; K319-S322 PolarHBondContact O-OG 3.37Å; I320-S322 VanDerWaalsContact C-N 3.32Å; I320-S322 PolarHBondContact O-N 2.99Å
323	I	95.6	Very high	95.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-73.5	-53.3	177	-63.3	159.9	0	0	0	110	I262 P264 F270 T283 L315 K319 I320 Y321 K325 Q326 Y329 I451	I262-I323 HydrophobicContact CD1-CD1 4.04Å; I262-I323 HydrophobicContact CD1-CG1 4.08Å; P264-I323 HydrophobicContact CB-CG1 4.37Å; P264-I323 HydrophobicContact CG-CG1 3.59Å; F270-I323 HydrophobicContact CE2-CD1 4.14Å; F270-I323 HydrophobicContact CZ-CD1 4.05Å; F270-I323 HydrophobicContact CZ-CG1 4.05Å; T283-I323 HydrophobicContact CG2-CD1 4.23Å; L315-I323 HydrophobicContact CD2-CD1 3.9Å; K319-I323 WeakPolarHBondContact O-CG1 3.48Å; K319-I323 PolarHBondContact O-N 3.36Å; K319-I323 VanDerWaalsContact O-N 3.14Å; I320-I323 PolarHBondContact O-N 2.88Å; I320-I323 VanDerWaalsContact O-N 3.13Å; Y321-I323 VanDerWaalsContact C-N 3.26Å; Y321-I323 PolarHBondContact O-N 2.95Å; I323-K325 VanDerWaalsContact C-N 3.28Å; I323-K325 PolarHBondContact O-N 3.28Å; I323-Q326 WeakPolarHBondContact O-CB 3.49Å; I323-Q326 VanDerWaalsContact O-CG 3.28Å; I323-Q326 WeakPolarHBondContact O-CG 3.43Å; I323-Q326 PolarHBondContact O-N 3.48Å; I323-Q326 PolarHBondContact O-NE2 3.49Å; I323-Q326 VanDerWaalsContact O-NE2 3.08Å; I323-Y329 HydrophobicContact CG2-CD1 4.45Å; I323-Y329 HydrophobicContact CG2-CE1 3.64Å; I323-Y329 HydrophobicContact CG2-CE2 4.44Å; I323-Y329 VanDerWaalsContact O-CE2 3.3Å; I323-Y329 WeakPolarHBondContact O-CE2 3.43Å; I323-I451 HydrophobicContact CB-CD1 4.09Å; I323-I451 HydrophobicContact CD1-CD1 4.29Å; I323-I451 HydrophobicContact CG2-CD1 3.6Å
324	V	94.9	Very high	95.7	Very high	18 Å²	18	31.3 Å²	31.3	11%	0.109	15%	0.153	C	C	.	.	H	α-helix	trans	-77.4	-13.2	-170.1	-53.7	0	0	0	0	113.4	I320 Y321 Q326 Y329 F349 L351 I451	I320-V324 HydrophobicContact CG2-CG1 4.36Å; I320-V324 WeakPolarHBondContact O-CG1 3.42Å; I320-V324 WeakPolarHBondContact O-CG2 3.47Å; I320-V324 PolarHBondContact O-N 3.3Å; Y321-V324 PolarHBondContact O-N 2.95Å; V324-Q326 PolarHBondContact O-N 3.33Å; V324-Y329 HydrophobicContact CB-CD2 4.26Å; V324-Y329 HydrophobicContact CB-CG 4.46Å; V324-Y329 HydrophobicContact CG1-CD2 4.43Å; V324-Y329 HydrophobicContact CG1-CG 4.19Å; V324-F349 HydrophobicContact CB-CE2 4.45Å; V324-F349 HydrophobicContact CB-CZ 4.27Å; V324-F349 HydrophobicContact CG1-CE2 3.94Å; V324-F349 HydrophobicContact CG1-CZ 3.5Å; V324-L351 HydrophobicContact CG2-CB 3.96Å; V324-L351 HydrophobicContact CG2-CD2 4.37Å; V324-I451 HydrophobicContact CG1-CD1 3.72Å
325	K	93.3	Very high	95.5	Very high	138 Å²	138	31.5 Å²	31.5	60%	0.6	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.4	171.8	177.9	177.4	177.3	-180	0	112.9	Y321 I323	Y321-K325 HydrophobicContact CE1-CD 4.06Å; Y321-K325 VanDerWaalsContact O-CB 3.25Å; Y321-K325 WeakPolarHBondContact O-CB 3.5Å; Y321-K325 PolarHBondContact O-N 3.2Å; I323-K325 VanDerWaalsContact C-N 3.28Å; I323-K325 PolarHBondContact O-N 3.28Å
326	Q	90.6	Very high	95.3	Very high	51 Å²	51	33.3 Å²	33.3	24%	0.238	16%	0.163	C	C	.	.	S	Bend	trans	-74.9	-32.5	-171.4	-59.7	-179.1	102.1	0	0	113.3	P264 S265 I323 V324	P264-Q326 VanDerWaalsContact CA-OE1 3.31Å; S265-Q326 PolarHBondContact OG-OE1 2.88Å; I323-Q326 WeakPolarHBondContact O-CB 3.49Å; I323-Q326 VanDerWaalsContact O-CG 3.28Å; I323-Q326 WeakPolarHBondContact O-CG 3.43Å; I323-Q326 PolarHBondContact O-N 3.48Å; I323-Q326 PolarHBondContact O-NE2 3.49Å; I323-Q326 VanDerWaalsContact O-NE2 3.08Å; V324-Q326 PolarHBondContact O-N 3.33Å
327	S	90.6	Very high	94.9	Very high	55 Å²	55	34.1 Å²	34.1	39%	0.385	17%	0.167	S	C	.	.	S	Bend	trans	-163.1	-174	-176.7	64.8	0	0	0	0	109.6	Y329	S327-Y329 WeakPolarHBondContact O-CD2 3.42Å; S327-Y329 WeakPolarHBondContact OG-CE2 3.44Å
328	N	92.3	Very high	94.3	Very high	97 Å²	97	38 Å²	38	52%	0.519	18%	0.182	S	C	.	.			trans	-74.9	137.9	167.8	-65.8	-31.4	0	0	0	109.9	P453 T454 S456	N328-P453 WeakPolarHBondContact O-CA 3.36Å; N328-T454 HydrophobicContact CB-CG2 3.73Å; N328-T454 PolarHBondContact O-N 3.05Å; N328-S456 PolarHBondContact ND2-OG 3.44Å
329	Y	94	Very high	93.9	Very high	5 Å²	5	43.1 Å²	43.1	2%	0.02	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.2	178.1	-80.4	-107.4	0	0	0	110.3	D245 I323 V324 S327 F349 I451 H452 P453	D245-Y329 PolarHBondContact OD2-OH 2.92Å; I323-Y329 HydrophobicContact CG2-CD1 4.45Å; I323-Y329 HydrophobicContact CG2-CE1 3.64Å; I323-Y329 HydrophobicContact CG2-CE2 4.44Å; I323-Y329 VanDerWaalsContact O-CE2 3.3Å; I323-Y329 WeakPolarHBondContact O-CE2 3.43Å; V324-Y329 HydrophobicContact CB-CD2 4.26Å; V324-Y329 HydrophobicContact CB-CG 4.46Å; V324-Y329 HydrophobicContact CG1-CD2 4.43Å; V324-Y329 HydrophobicContact CG1-CG 4.19Å; S327-Y329 WeakPolarHBondContact O-CD2 3.42Å; S327-Y329 WeakPolarHBondContact OG-CE2 3.44Å; Y329-F349 WeakPolarHBondContact O-CD1 3.39Å; Y329-F349 WeakPolarHBondContact O-CE1 3.28Å; Y329-I451 HydrophobicContact CD1-CB 4.09Å; Y329-I451 HydrophobicContact CD1-CD1 4.26Å; Y329-I451 HydrophobicContact CD1-CG1 4.21Å; Y329-I451 HydrophobicContact CE1-CD1 4.47Å; Y329-H452 CarbonylContact C-O 3.51Å; Y329-H452 VanDerWaalsContact CA-O 3.29Å; Y329-H452 WeakPolarHBondContact CA-O 3.09Å; Y329-P453 HydrophobicContact CD1-CB 4.42Å; Y329-P453 HydrophobicContact CD1-CG 4.34Å; Y329-P453 HydrophobicContact CE1-CB 4.11Å; Y329-P453 HydrophobicContact CE1-CG 3.7Å; Y329-P453 HydrophobicContact CE2-CB 4.4Å
330	V	95.5	Very high	93.5	Very high	13 Å²	13	45 Å²	45	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	133.2	168.9	173.8	0	0	0	0	108.8	W282 E346 Y347 I365 I451 H452 T454	W282-V330 HydrophobicContact CH2-CG1 4.48Å; V330-E346 HydrophobicContact CG1-CB 4.02Å; V330-E346 HydrophobicContact CG1-CG 4.35Å; V330-Y347 CarbonylContact C-O 3.41Å; V330-Y347 WeakPolarHBondContact CA-O 3.38Å; V330-I365 HydrophobicContact CG1-CD1 4.13Å; V330-I365 HydrophobicContact CG2-CD1 3.79Å; V330-I451 VanDerWaalsContact O-CA 3.28Å; V330-I451 WeakPolarHBondContact O-CA 2.9Å; V330-H452 PolarHBondContact N-O 3.17Å; V330-H452 PolarHBondContact O-N 2.83Å; V330-H452 VanDerWaalsContact O-N 3.1Å; V330-T454 HydrophobicContact CG2-CG2 4.17Å
331	L	96.3	Very high	93.1	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.7	170.5	170.4	64.5	0	0	0	108.7	I285 I333 E346 Y347 F349 M449 L450 I451	I285-L331 HydrophobicContact CD1-CD1 4.07Å; L331-I333 HydrophobicContact CD1-CG1 4.41Å; L331-I333 HydrophobicContact CD2-CD1 4.36Å; L331-I333 HydrophobicContact CD2-CG1 4.47Å; L331-I333 HydrophobicContact CG-CG1 4.21Å; L331-E346 CarbonylContact O-C 3.54Å; L331-E346 VanDerWaalsContact O-CA 3.31Å; L331-E346 WeakPolarHBondContact O-CA 3.37Å; L331-Y347 PolarHBondContact N-O 2.96Å; L331-Y347 PolarHBondContact O-N 3.49Å; L331-F349 HydrophobicContact CB-CB 4.42Å; L331-F349 HydrophobicContact CB-CD1 3.38Å; L331-F349 HydrophobicContact CB-CE1 3.61Å; L331-F349 HydrophobicContact CB-CG 3.87Å; L331-F349 HydrophobicContact CB-CZ 4.27Å; L331-M449 HydrophobicContact CD1-CB 4.27Å; L331-M449 HydrophobicContact CD1-CE 3.97Å; L331-M449 HydrophobicContact CD2-CE 4.18Å; L331-L450 CarbonylContact C-O 3.54Å; L331-L450 WeakPolarHBondContact CA-O 3.38Å; L331-I451 HydrophobicContact CD1-CG2 4.11Å
332	R	96.1	Very high	93	Very high	44 Å²	44	54 Å²	54	17%	0.166	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129	171.7	-178.8	172.9	175	125.8	2.6	109.8	W282 E334 I345 E346 M449 L450	W282-R332 HydrophobicContact CE3-CB 4.04Å; W282-R332 HydrophobicContact CH2-CB 3.7Å; W282-R332 HydrophobicContact CH2-CG 4.35Å; W282-R332 HydrophobicContact CZ2-CB 4.5Å; W282-R332 HydrophobicContact CZ3-CB 3.42Å; W282-R332 VanDerWaalsContact CZ3-CB 3.42Å; W282-R332 HydrophobicContact CZ3-CG 4.41Å; R332-E334 HydrophobicContact CG-CG 4.15Å; R332-E334 IonicContact CZ-OE1 3.79Å; R332-E334 VanDerWaalsContact CZ-OE1 3.23Å; R332-E334 IonicContact NE-OE1 3.86Å; R332-E334 PolarHBondContact NE-OE1 2.96Å; R332-E334 IonicContact NH2-OE1 2.77Å; R332-E334 PolarHBondContact NH2-OE1 3.46Å; R332-I345 WeakPolarHBondContact CA-O 3.44Å; R332-E346 HydrophobicContact CB-CG 3.92Å; R332-E346 WeakPolarHBondContact CD-OE1 3.42Å; R332-E346 HydrophobicContact CG-CG 3.84Å; R332-E346 IonicContact CZ-OE1 3.94Å; R332-E346 IonicContact NE-OE1 2.64Å; R332-E346 IonicContact NH1-OE1 2.77Å; R332-E346 PolarHBondContact NH1-OE1 3.01Å; R332-M449 WeakPolarHBondContact O-CA 3.34Å; R332-L450 HydrophobicContact CB-CB 4.32Å; R332-L450 HydrophobicContact CB-CD1 4.38Å; R332-L450 HydrophobicContact CG-CD1 4.24Å; R332-L450 PolarHBondContact N-O 3.15Å; R332-L450 PolarHBondContact O-N 3.45Å
333	I	96.4	Very high	92.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.3	173.9	-60.5	179.6	0	0	0	107.5	L331 L335 Y344 I345 Y347 I373 L413 W434 K448 M449	L331-I333 HydrophobicContact CD1-CG1 4.41Å; L331-I333 HydrophobicContact CD2-CD1 4.36Å; L331-I333 HydrophobicContact CD2-CG1 4.47Å; L331-I333 HydrophobicContact CG-CG1 4.21Å; I333-L335 HydrophobicContact CG2-CD2 3.82Å; I333-L335 HydrophobicContact CG2-CG 4.23Å; I333-Y344 CarbonylContact O-C 3.32Å; I333-Y344 WeakPolarHBondContact O-CA 3.4Å; I333-I345 HydrophobicContact CB-CG2 3.9Å; I333-I345 PolarHBondContact N-O 3.37Å; I333-I345 PolarHBondContact O-N 3.29Å; I333-Y347 HydrophobicContact CD1-CE2 4.15Å; I333-I373 HydrophobicContact CD1-CD1 3.98Å; I333-L413 HydrophobicContact CD1-CD1 4.42Å; I333-L413 HydrophobicContact CG2-CD1 3.56Å; I333-W434 HydrophobicContact CD1-CH2 3.71Å; I333-W434 HydrophobicContact CD1-CZ3 3.87Å; I333-W434 HydrophobicContact CG2-CH2 4.48Å; I333-W434 HydrophobicContact CG2-CZ3 4.43Å; I333-K448 WeakPolarHBondContact CA-O 3.36Å; I333-M449 HydrophobicContact CD1-CE 4.38Å; I333-M449 HydrophobicContact CG1-CG 4.31Å
334	E	95.9	Very high	92.8	Very high	44 Å²	44	57.8 Å²	57.8	21%	0.206	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.2	173.8	-57.1	-168	152.1	0	0	110.1	R332 H343 T447 K448 L450	R332-E334 HydrophobicContact CG-CG 4.15Å; R332-E334 IonicContact CZ-OE1 3.79Å; R332-E334 VanDerWaalsContact CZ-OE1 3.23Å; R332-E334 IonicContact NE-OE1 3.86Å; R332-E334 PolarHBondContact NE-OE1 2.96Å; R332-E334 IonicContact NH2-OE1 2.77Å; R332-E334 PolarHBondContact NH2-OE1 3.46Å; E334-H343 CarbonylContact C-O 3.59Å; E334-H343 WeakPolarHBondContact CA-O 3.31Å; E334-T447 CarbonylContact O-C 3.5Å; E334-T447 VanDerWaalsContact O-CA 3.28Å; E334-T447 WeakPolarHBondContact O-CA 3.33Å; E334-K448 HydrophobicContact CB-CB 4.33Å; E334-K448 PolarHBondContact N-O 3.08Å; E334-K448 PolarHBondContact O-N 3.16Å; E334-L450 HydrophobicContact CB-CD1 4.5Å; E334-L450 HydrophobicContact CG-CD1 3.81Å
335	L	95.2	Very high	92.8	Very high	7 Å²	7	57 Å²	57	4%	0.037	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.7	-179.6	-47.1	171	0	0	0	109	I333 K342 H343 L413 W434 I444 T447	I333-L335 HydrophobicContact CG2-CD2 3.82Å; I333-L335 HydrophobicContact CG2-CG 4.23Å; L335-K342 WeakPolarHBondContact O-CA 3.46Å; L335-H343 HydrophobicContact CB-CB 4.24Å; L335-H343 PolarHBondContact N-O 3.32Å; L335-H343 PolarHBondContact O-N 2.97Å; L335-L413 HydrophobicContact CD2-CD1 4.05Å; L335-L413 HydrophobicContact CD2-CD2 3.86Å; L335-W434 HydrophobicContact CD1-CB 3.87Å; L335-W434 VanDerWaalsContact CD1-CD1 3.49Å; L335-W434 HydrophobicContact CD1-CD2 3.87Å; L335-W434 HydrophobicContact CD1-CG 3.48Å; L335-W434 VanDerWaalsContact CD1-CG 3.48Å; L335-I444 HydrophobicContact CD2-CD1 4.34Å; L335-T447 HydrophobicContact CD2-CG2 3.67Å
336	E	94.5	Very high	92.9	Very high	42 Å²	42	51.8 Å²	51.8	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.5	166.7	-163.7	178.9	123.8	0	0	108.8	N341 K342 K445 S446	E336-N341 WeakPolarHBondContact CA-O 3.34Å; E336-K342 HydrophobicContact CG-CG 4.44Å; E336-K445 PolarHBondContact O-N 3.39Å; E336-K445 IonicContact OE1-NZ 3.78Å; E336-K445 PolarHBondContact OE1-NZ 3.22Å; E336-S446 WeakPolarHBondContact CB-OG 3.47Å; E336-S446 PolarHBondContact N-O 3.24Å; E336-S446 PolarHBondContact O-N 2.76Å
337	D	89.7	Confident	93.1	Very high	17 Å²	17	49.4 Å²	49.4	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	170.4	173.7	80.1	7.8	0	0	0	112.8	K339 D340 N341 S443	D337-K339 PolarHBondContact O-N 2.87Å; D337-K339 VanDerWaalsContact O-N 3.08Å; D337-K339 VanDerWaalsContact OD1-CA 3.24Å; D337-K339 WeakPolarHBondContact OD1-CA 3.24Å; D337-K339 WeakPolarHBondContact OD1-CB 3.24Å; D337-K339 PolarHBondContact OD1-N 3.26Å; D337-D340 PolarHBondContact O-N 3.4Å; D337-D340 PolarHBondContact OD1-N 3.06Å; D337-D340 VanDerWaalsContact OD1-N 3.09Å; D337-N341 PolarHBondContact N-O 3.49Å; D337-N341 WeakPolarHBondContact OD1-CB 3.34Å; D337-N341 PolarHBondContact OD1-N 3.29Å; D337-N341 PolarHBondContact OD1-ND2 3Å; D337-N341 PolarHBondContact OD2-ND2 2.88Å; D337-S443 WeakPolarHBondContact CA-O 3.33Å; D337-S443 VanDerWaalsContact CB-O 3.22Å; D337-S443 WeakPolarHBondContact CB-O 3.48Å
338	W	85.8	Confident	93.3	Very high	81 Å²	81	49.6 Å²	49.6	31%	0.307	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-1	177.6	-66.8	88.6	0	0	0	114.7	Y417 K419 P420 S443 I444 K445	W338-Y417 HydrophobicContact CH2-CE1 4.12Å; W338-Y417 WeakPolarHBondContact CH2-OH 3.35Å; W338-Y417 HydrophobicContact CZ2-CE1 4.15Å; W338-K419 HydrophobicContact CH2-CB 4.46Å; W338-K419 HydrophobicContact CH2-CG 4.15Å; W338-P420 HydrophobicContact CD2-CG 3.6Å; W338-P420 HydrophobicContact CE3-CG 3.72Å; W338-P420 HydrophobicContact CG-CG 4.07Å; W338-P420 HydrophobicContact CH2-CG 4.44Å; W338-P420 HydrophobicContact CZ2-CG 4.34Å; W338-P420 HydrophobicContact CZ3-CG 4.14Å; W338-S443 VanDerWaalsContact CD1-O 3.26Å; W338-S443 VanDerWaalsContact CD1-OG 3.3Å; W338-S443 PolarHBondContact N-O 3.3Å; W338-I444 PolarHBondContact NE1-O 2.95Å; W338-K445 HydrophobicContact CD2-CB 3.81Å; W338-K445 HydrophobicContact CD2-CD 4.45Å; W338-K445 HydrophobicContact CD2-CG 4.04Å; W338-K445 HydrophobicContact CE3-CB 4.22Å; W338-K445 HydrophobicContact CE3-CD 4.1Å; W338-K445 HydrophobicContact CE3-CG 3.91Å; W338-K445 HydrophobicContact CG-CB 4.07Å; W338-K445 HydrophobicContact CH2-CG 4.08Å; W338-K445 HydrophobicContact CZ2-CB 4.17Å; W338-K445 HydrophobicContact CZ2-CG 4.2Å; W338-K445 HydrophobicContact CZ3-CD 4.38Å; W338-K445 HydrophobicContact CZ3-CG 3.93Å
339	K	87.1	Confident	93.5	Very high	167 Å²	167	46.3 Å²	46.3	73%	0.726	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.6	15.3	171.3	-59.2	179.4	179.8	-178.5	0	111.1	D337 N341	D337-K339 PolarHBondContact O-N 2.87Å; D337-K339 VanDerWaalsContact O-N 3.08Å; D337-K339 VanDerWaalsContact OD1-CA 3.24Å; D337-K339 WeakPolarHBondContact OD1-CA 3.24Å; D337-K339 WeakPolarHBondContact OD1-CB 3.24Å; D337-K339 PolarHBondContact OD1-N 3.26Å; K339-N341 PolarHBondContact O-N 3.49Å
340	D	88.6	Confident	93.5	Very high	100 Å²	100	53 Å²	53	54%	0.535	24%	0.243	S	C	.	.			trans	61	21.2	-179.8	-50	-47.4	0	0	0	114.1	D337 K445	D337-D340 PolarHBondContact O-N 3.4Å; D337-D340 PolarHBondContact OD1-N 3.06Å; D337-D340 VanDerWaalsContact OD1-N 3.09Å; D340-K445 IonicContact OD1-NZ 3.24Å; D340-K445 PolarHBondContact OD1-NZ 2.73Å
341	N	91.1	Very high	93.5	Very high	75 Å²	75	52.6 Å²	52.6	40%	0.401	24%	0.24	S	C	.	.			trans	-77.1	132.2	171	-57.5	-63.9	0	0	0	110	E336 D337 K339	E336-N341 WeakPolarHBondContact CA-O 3.34Å; D337-N341 PolarHBondContact N-O 3.49Å; D337-N341 WeakPolarHBondContact OD1-CB 3.34Å; D337-N341 PolarHBondContact OD1-N 3.29Å; D337-N341 PolarHBondContact OD1-ND2 3Å; D337-N341 PolarHBondContact OD2-ND2 2.88Å; K339-N341 PolarHBondContact O-N 3.49Å
342	K	93.5	Very high	93.5	Very high	160 Å²	160	52.4 Å²	52.4	70%	0.696	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	131.8	179	-62.7	-175.4	179.2	-175.4	0	111.6	L335 E336 N368	L335-K342 WeakPolarHBondContact O-CA 3.46Å; E336-K342 HydrophobicContact CG-CG 4.44Å; K342-N368 PolarHBondContact O-ND2 3.18Å
343	H	94.1	Very high	93.4	Very high	25 Å²	25	52.4 Å²	52.4	12%	0.116	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.3	180	-62.6	-61.8	0	0	0	109.9	E334 L335 N368 V369 Y442	E334-H343 CarbonylContact C-O 3.59Å; E334-H343 WeakPolarHBondContact CA-O 3.31Å; L335-H343 HydrophobicContact CB-CB 4.24Å; L335-H343 PolarHBondContact N-O 3.32Å; L335-H343 PolarHBondContact O-N 2.97Å; H343-N368 VanDerWaalsContact CA-OD1 3.28Å; H343-N368 WeakPolarHBondContact CA-OD1 3.18Å; H343-V369 HydrophobicContact CB-CG1 3.6Å; H343-V369 WeakPolarHBondContact ND1-CG1 3.22Å; H343-Y442 AromaticContact CD2-CD1 3.68Å; H343-Y442 AromaticContact CD2-CE1 3.78Å; H343-Y442 AromaticContact CE1-CE1 3.89Å; H343-Y442 AromaticContact NE2-CD1 3.76Å; H343-Y442 AromaticContact NE2-CE1 3.63Å
344	Y	94.6	Very high	93.2	Very high	72 Å²	72	56.1 Å²	56.1	28%	0.282	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	152.6	174.1	79.8	-81.2	0	0	0	112	I333 E346 T366 G367 N368	I333-Y344 CarbonylContact O-C 3.32Å; I333-Y344 WeakPolarHBondContact O-CA 3.4Å; Y344-E346 HydrophobicContact CD2-CG 4.35Å; Y344-T366 HydrophobicContact CE2-CG2 4.44Å; Y344-G367 CarbonylContact O-C 3.6Å; Y344-G367 WeakPolarHBondContact O-CA 3.14Å; Y344-N368 HydrophobicContact CD1-CB 4.24Å; Y344-N368 HydrophobicContact CE1-CB 3.95Å; Y344-N368 PolarHBondContact N-OD1 3.07Å; Y344-N368 PolarHBondContact O-N 3.46Å; Y344-N368 PolarHBondContact O-OD1 2.97Å
345	I	94.9	Very high	93.1	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	144.7	171.9	-171.5	157.1	0	0	0	109.8	R332 I333 Y347 K364 V369 W434	R332-I345 WeakPolarHBondContact CA-O 3.44Å; I333-I345 HydrophobicContact CB-CG2 3.9Å; I333-I345 PolarHBondContact N-O 3.37Å; I333-I345 PolarHBondContact O-N 3.29Å; I345-Y347 HydrophobicContact CB-CE2 4.29Å; I345-Y347 HydrophobicContact CD1-CE1 4.24Å; I345-Y347 HydrophobicContact CD1-CE2 4.15Å; I345-Y347 VanDerWaalsContact CD1-OH 3.22Å; I345-Y347 WeakPolarHBondContact CD1-OH 3.45Å; I345-Y347 HydrophobicContact CG1-CD2 4.47Å; I345-Y347 HydrophobicContact CG1-CE1 4.38Å; I345-Y347 HydrophobicContact CG1-CE2 3.79Å; I345-Y347 HydrophobicContact CG2-CD2 4.45Å; I345-Y347 HydrophobicContact CG2-CE2 3.6Å; I345-K364 HydrophobicContact CD1-CD 4Å; I345-K364 HydrophobicContact CD1-CG 4.3Å; I345-K364 HydrophobicContact CG1-CG 4.44Å; I345-V369 HydrophobicContact CB-CG2 4.07Å; I345-W434 HydrophobicContact CG2-CH2 4.16Å; I345-W434 HydrophobicContact CG2-CZ2 3.74Å
346	E	95.3	Very high	92.9	Very high	29 Å²	29	64.5 Å²	64.5	14%	0.136	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.9	-177.7	-70.5	174.9	-168.1	0	0	110.4	V330 L331 R332 Y344 I365 T366	V330-E346 HydrophobicContact CG1-CB 4.02Å; V330-E346 HydrophobicContact CG1-CG 4.35Å; L331-E346 CarbonylContact O-C 3.54Å; L331-E346 VanDerWaalsContact O-CA 3.31Å; L331-E346 WeakPolarHBondContact O-CA 3.37Å; R332-E346 HydrophobicContact CB-CG 3.92Å; R332-E346 WeakPolarHBondContact CD-OE1 3.42Å; R332-E346 HydrophobicContact CG-CG 3.84Å; R332-E346 IonicContact CZ-OE1 3.94Å; R332-E346 IonicContact NE-OE1 2.64Å; R332-E346 IonicContact NH1-OE1 2.77Å; R332-E346 PolarHBondContact NH1-OE1 3.01Å; Y344-E346 HydrophobicContact CD2-CG 4.35Å; E346-I365 PolarHBondContact O-N 2.93Å; E346-T366 HydrophobicContact CB-CG2 3.9Å; E346-T366 HydrophobicContact CG-CG2 4.25Å; E346-T366 PolarHBondContact N-O 2.6Å; E346-T366 PolarHBondContact O-N 3.16Å; E346-T366 WeakPolarHBondContact OE2-CG2 3.47Å
347	Y	95.1	Very high	92.8	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.9	-178.2	-62.3	-82.4	0	0	0	110.4	V330 L331 I333 I345 V362 V363 K364 N371 I373 W434	V330-Y347 CarbonylContact C-O 3.41Å; V330-Y347 WeakPolarHBondContact CA-O 3.38Å; L331-Y347 PolarHBondContact N-O 2.96Å; L331-Y347 PolarHBondContact O-N 3.49Å; I333-Y347 HydrophobicContact CD1-CE2 4.15Å; I345-Y347 HydrophobicContact CB-CE2 4.29Å; I345-Y347 HydrophobicContact CD1-CE1 4.24Å; I345-Y347 HydrophobicContact CD1-CE2 4.15Å; I345-Y347 VanDerWaalsContact CD1-OH 3.22Å; I345-Y347 WeakPolarHBondContact CD1-OH 3.45Å; I345-Y347 HydrophobicContact CG1-CD2 4.47Å; I345-Y347 HydrophobicContact CG1-CE1 4.38Å; I345-Y347 HydrophobicContact CG1-CE2 3.79Å; I345-Y347 HydrophobicContact CG2-CD2 4.45Å; I345-Y347 HydrophobicContact CG2-CE2 3.6Å; Y347-V362 HydrophobicContact CD1-CB 3.78Å; Y347-V362 HydrophobicContact CD1-CG2 4.03Å; Y347-V362 HydrophobicContact CE1-CB 4.45Å; Y347-V362 HydrophobicContact CE1-CG2 4.22Å; Y347-V362 HydrophobicContact CG-CB 4.05Å; Y347-V362 HydrophobicContact CG-CG1 4.34Å; Y347-V363 CarbonylContact C-O 3.39Å; Y347-V363 VanDerWaalsContact CA-O 3.28Å; Y347-V363 WeakPolarHBondContact CA-O 3.28Å; Y347-K364 HydrophobicContact CD1-CB 4.17Å; Y347-K364 HydrophobicContact CE1-CB 4.05Å; Y347-N371 VanDerWaalsContact CE1-OD1 3.31Å; Y347-N371 WeakPolarHBondContact CE1-OD1 3.37Å; Y347-N371 PolarHBondContact OH-OD1 2.7Å; Y347-I373 HydrophobicContact CE2-CD1 4.16Å; Y347-W434 HydrophobicContact CE2-CH2 4.35Å
348	S	94.8	Very high	93.1	Very high	60 Å²	60	63.4 Å²	63.4	42%	0.42	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	132.7	152.5	-177.8	0	0	0	0	106.3	V362 V363	S348-V362 CarbonylContact O-C 3.53Å; S348-V362 WeakPolarHBondContact O-CA 3.32Å; S348-V363 PolarHBondContact N-O 3.48Å; S348-V363 PolarHBondContact O-N 3.15Å
349	F	94.7	Very high	93.5	Very high	27 Å²	27	60.2 Å²	60.2	12%	0.118	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.5	-176	79.3	-71.1	0	0	0	113	V324 Y329 L331 L351 L360 H361 V362 I451	V324-F349 HydrophobicContact CB-CE2 4.45Å; V324-F349 HydrophobicContact CB-CZ 4.27Å; V324-F349 HydrophobicContact CG1-CE2 3.94Å; V324-F349 HydrophobicContact CG1-CZ 3.5Å; Y329-F349 WeakPolarHBondContact O-CD1 3.39Å; Y329-F349 WeakPolarHBondContact O-CE1 3.28Å; L331-F349 HydrophobicContact CB-CB 4.42Å; L331-F349 HydrophobicContact CB-CD1 3.38Å; L331-F349 HydrophobicContact CB-CE1 3.61Å; L331-F349 HydrophobicContact CB-CG 3.87Å; L331-F349 HydrophobicContact CB-CZ 4.27Å; F349-L351 HydrophobicContact CE2-CB 4.35Å; F349-L360 HydrophobicContact CB-CD1 4.11Å; F349-L360 HydrophobicContact CD2-CD1 3.83Å; F349-L360 HydrophobicContact CG-CD1 4.42Å; F349-H361 CarbonylContact C-O 3.52Å; F349-H361 WeakPolarHBondContact CA-O 3.39Å; F349-H361 WeakPolarHBondContact CB-O 3.49Å; F349-V362 HydrophobicContact CB-CG1 3.95Å; F349-I451 HydrophobicContact CE1-CG2 4.04Å; F349-I451 HydrophobicContact CZ-CB 4.48Å; F349-I451 HydrophobicContact CZ-CG2 3.69Å
350	Y	94.4	Very high	93.8	Very high	145 Å²	145	52.5 Å²	52.5	57%	0.569	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.3	169.4	174.2	-96.1	0	0	0	108.9	L360 H361	Y350-L360 WeakPolarHBondContact O-CA 3.21Å; Y350-H361 AromaticContact CD1-CD2 3.84Å; Y350-H361 PolarHBondContact N-O 2.66Å; Y350-H361 PolarHBondContact O-N 3.42Å
351	L	96.1	Very high	94.1	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.4	175.8	-170.6	68.7	0	0	0	110	I320 Y321 V324 F349 Y358 T359 L360 W403	I320-L351 HydrophobicContact CB-CD2 4.26Å; I320-L351 HydrophobicContact CG2-CD2 3.68Å; Y321-L351 WeakPolarHBondContact CD2-O 3.3Å; Y321-L351 WeakPolarHBondContact CE2-O 3.29Å; V324-L351 HydrophobicContact CG2-CB 3.96Å; V324-L351 HydrophobicContact CG2-CD2 4.37Å; F349-L351 HydrophobicContact CE2-CB 4.35Å; L351-Y358 WeakPolarHBondContact CD1-O 3.34Å; L351-T359 WeakPolarHBondContact CA-O 3.43Å; L351-L360 HydrophobicContact CD1-CB 4.49Å; L351-W403 HydrophobicContact CD1-CZ2 3.74Å
352	G	95.3	Very high	94.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.224	C	C	.	.			trans	-69.4	170.5	175.5	0	0	0	0	0	113.7	Y321 T356 Y358 T359	Y321-G352 WeakPolarHBondContact CD2-O 3.45Å; G352-T356 VanDerWaalsContact CA-OG1 3.3Å; G352-T356 WeakPolarHBondContact CA-OG1 3.18Å; G352-Y358 WeakPolarHBondContact O-CA 3.44Å; G352-Y358 WeakPolarHBondContact O-CD1 3.4Å; G352-T359 PolarHBondContact N-O 3.07Å
353	N	94.3	Very high	94.1	Very high	43 Å²	43	42.8 Å²	42.8	23%	0.23	21%	0.211	C	C	.	.			trans	-85.1	-175	177.2	71	2.6	0	0	0	111.4	Y321 E355 T356 N357 Y358	Y321-N353 HydrophobicContact CE1-CB 4Å; Y321-N353 HydrophobicContact CE2-CB 3.96Å; N353-E355 VanDerWaalsContact C-N 3.26Å; N353-E355 PolarHBondContact ND2-OE2 3.43Å; N353-E355 PolarHBondContact O-N 3.5Å; N353-E355 WeakPolarHBondContact OD1-CA 3.48Å; N353-E355 WeakPolarHBondContact OD1-CB 3.23Å; N353-E355 PolarHBondContact OD1-N 2.58Å; N353-T356 PolarHBondContact N-OG1 3.46Å; N353-T356 PolarHBondContact O-N 3.21Å; N353-T356 PolarHBondContact O-OG1 3.03Å; N353-T356 PolarHBondContact OD1-N 3.13Å; N353-T356 VanDerWaalsContact OD1-N 3.09Å; N353-N357 PolarHBondContact O-N 3.05Å; N353-Y358 PolarHBondContact O-N 2.91Å
354	H	93.1	Very high	94.1	Very high	79 Å²	79	44.9 Å²	44.9	37%	0.366	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-57.9	-34.8	175.1	178.7	-94.8	0	0	0	113.9	K303 T356 N357 Y358	K303-H354 PolarHBondContact NZ-CD2 3.29Å; K303-H354 PolarHBondContact NZ-NE2 2.99Å; H354-T356 VanDerWaalsContact C-N 3.3Å; H354-T356 PolarHBondContact O-N 3.36Å; H354-N357 PolarHBondContact O-N 2.83Å; H354-N357 VanDerWaalsContact O-N 3.08Å; H354-Y358 HydrophobicContact CB-CE1 4.48Å
355	E	92.5	Very high	94.1	Very high	163 Å²	163	44 Å²	44	76%	0.762	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-69.4	-30.6	-177.4	-57.9	174	152.4	0	0	112	N353 N357	N353-E355 VanDerWaalsContact C-N 3.26Å; N353-E355 PolarHBondContact ND2-OE2 3.43Å; N353-E355 PolarHBondContact O-N 3.5Å; N353-E355 WeakPolarHBondContact OD1-CA 3.48Å; N353-E355 WeakPolarHBondContact OD1-CB 3.23Å; N353-E355 PolarHBondContact OD1-N 2.58Å; E355-N357 VanDerWaalsContact C-N 3.3Å
356	T	92.3	Very high	94	Very high	64 Å²	64	46.8 Å²	46.8	39%	0.393	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-90.3	11.2	172.6	64.6	0	0	0	0	112.8	G352 N353 H354 Y358 T359	G352-T356 VanDerWaalsContact CA-OG1 3.3Å; G352-T356 WeakPolarHBondContact CA-OG1 3.18Å; N353-T356 PolarHBondContact N-OG1 3.46Å; N353-T356 PolarHBondContact O-N 3.21Å; N353-T356 PolarHBondContact O-OG1 3.03Å; N353-T356 PolarHBondContact OD1-N 3.13Å; N353-T356 VanDerWaalsContact OD1-N 3.09Å; H354-T356 VanDerWaalsContact C-N 3.3Å; H354-T356 PolarHBondContact O-N 3.36Å; T356-Y358 PolarHBondContact O-N 3.22Å; T356-T359 PolarHBondContact O-N 2.88Å; T356-T359 PolarHBondContact O-OG1 3.08Å
357	N	92.2	Very high	93.8	Very high	36 Å²	36	46.4 Å²	46.4	19%	0.193	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	37.4	-174.3	-57.7	-62.3	0	0	0	112.9	W299 N353 H354 E355 T359 V380 F381 H386	W299-N357 HydrophobicContact CH2-CB 3.99Å; N353-N357 PolarHBondContact O-N 3.05Å; H354-N357 PolarHBondContact O-N 2.83Å; H354-N357 VanDerWaalsContact O-N 3.08Å; E355-N357 VanDerWaalsContact C-N 3.3Å; N357-T359 VanDerWaalsContact C-N 3.34Å; N357-T359 PolarHBondContact O-N 2.95Å; N357-V380 HydrophobicContact CB-CG1 3.64Å; N357-F381 VanDerWaalsContact O-CB 3.32Å; N357-F381 WeakPolarHBondContact O-CB 3.37Å; N357-F381 PolarHBondContact O-N 2.91Å; N357-H386 PolarHBondContact OD1-NE2 3.48Å
358	Y	95.1	Very high	93.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	46	-179	-49	-82.7	0	0	0	113.5	W299 K303 L317 E318 L351 G352 N353 H354 T356 L360 W403	W299-Y358 AromaticContact CH2-CD2 3.7Å; W299-Y358 HydrophobicContact CH2-CD2 3.7Å; W299-Y358 AromaticContact CH2-CE2 3.95Å; W299-Y358 HydrophobicContact CH2-CE2 3.95Å; W299-Y358 AromaticContact CZ2-CD2 3.93Å; W299-Y358 HydrophobicContact CZ2-CD2 3.93Å; W299-Y358 AromaticContact CZ2-CE2 3.68Å; W299-Y358 HydrophobicContact CZ2-CE2 3.68Å; K303-Y358 WeakPolarHBondContact CE-OH 3.34Å; K303-Y358 WeakPolarHBondContact CG-OH 3.12Å; L317-Y358 HydrophobicContact CB-CD1 3.84Å; L317-Y358 HydrophobicContact CB-CD2 3.84Å; L317-Y358 HydrophobicContact CB-CE1 3.79Å; L317-Y358 HydrophobicContact CB-CE2 3.76Å; L317-Y358 HydrophobicContact CB-CG 3.87Å; L317-Y358 HydrophobicContact CD1-CD2 3.59Å; L317-Y358 HydrophobicContact CD1-CE2 3.85Å; L317-Y358 HydrophobicContact CD1-CG 4.19Å; L317-Y358 HydrophobicContact CD2-CD2 4.29Å; L317-Y358 HydrophobicContact CD2-CG 4.05Å; L317-Y358 HydrophobicContact CG-CD2 4.11Å; L317-Y358 HydrophobicContact CG-CE2 4.37Å; L317-Y358 HydrophobicContact CG-CG 4.25Å; E318-Y358 WeakPolarHBondContact CG-OH 3.32Å; E318-Y358 PolarHBondContact OE1-OH 2.91Å; L351-Y358 WeakPolarHBondContact CD1-O 3.34Å; G352-Y358 WeakPolarHBondContact O-CA 3.44Å; G352-Y358 WeakPolarHBondContact O-CD1 3.4Å; N353-Y358 PolarHBondContact O-N 2.91Å; H354-Y358 HydrophobicContact CB-CE1 4.48Å; T356-Y358 PolarHBondContact O-N 3.22Å; Y358-L360 PolarHBondContact O-N 3.2Å; Y358-W403 PolarHBondContact O-NE1 3.33Å
359	T	93.8	Very high	93.4	Very high	14 Å²	14	47.9 Å²	47.9	9%	0.086	24%	0.244	C	C	.	.			trans	-50.1	129.7	175.9	-53.9	0	0	0	0	111.1	L351 G352 T356 N357 H361 D378 L379	L351-T359 WeakPolarHBondContact CA-O 3.43Å; G352-T359 PolarHBondContact N-O 3.07Å; T356-T359 PolarHBondContact O-N 2.88Å; T356-T359 PolarHBondContact O-OG1 3.08Å; N357-T359 VanDerWaalsContact C-N 3.34Å; N357-T359 PolarHBondContact O-N 2.95Å; T359-H361 WeakPolarHBondContact CG2-NE2 3.31Å; T359-D378 HydrophobicContact CG2-CB 3.79Å; T359-L379 CarbonylContact C-O 3.57Å; T359-L379 VanDerWaalsContact CA-O 3.31Å; T359-L379 WeakPolarHBondContact CA-O 3.32Å
360	L	94.6	Very high	93	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.026	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.5	175.8	175.9	69.4	0	0	0	109.5	F349 Y350 L351 Y358 V362 L379 W403	F349-L360 HydrophobicContact CB-CD1 4.11Å; F349-L360 HydrophobicContact CD2-CD1 3.83Å; F349-L360 HydrophobicContact CG-CD1 4.42Å; Y350-L360 WeakPolarHBondContact O-CA 3.21Å; L351-L360 HydrophobicContact CD1-CB 4.49Å; Y358-L360 PolarHBondContact O-N 3.2Å; L360-V362 HydrophobicContact CD1-CG1 3.88Å; L360-V362 HydrophobicContact CD2-CG1 4.04Å; L360-V362 HydrophobicContact CG-CG1 3.85Å; L360-L379 HydrophobicContact CB-CB 4.39Å; L360-L379 PolarHBondContact N-O 3.3Å; L360-L379 WeakPolarHBondContact O-CB 3.43Å; L360-L379 PolarHBondContact O-N 3.48Å; L360-L379 VanDerWaalsContact O-N 3.08Å; L360-W403 HydrophobicContact CB-CB 4.29Å; L360-W403 HydrophobicContact CB-CD2 3.97Å; L360-W403 HydrophobicContact CB-CG 3.63Å; L360-W403 HydrophobicContact CD2-CB 4.17Å; L360-W403 HydrophobicContact CD2-CD2 3.64Å; L360-W403 HydrophobicContact CD2-CE3 3.87Å; L360-W403 HydrophobicContact CD2-CG 3.81Å; L360-W403 HydrophobicContact CD2-CZ3 4.44Å; L360-W403 HydrophobicContact CG-CD2 4.4Å; L360-W403 HydrophobicContact CG-CG 4.37Å
361	H	93.6	Very high	92.7	Very high	58 Å²	58	42 Å²	42	27%	0.269	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.1	166	-56.9	-110.3	0	0	0	108.3	F349 Y350 T359 D378	F349-H361 CarbonylContact C-O 3.52Å; F349-H361 WeakPolarHBondContact CA-O 3.39Å; F349-H361 WeakPolarHBondContact CB-O 3.49Å; Y350-H361 AromaticContact CD1-CD2 3.84Å; Y350-H361 PolarHBondContact N-O 2.66Å; Y350-H361 PolarHBondContact O-N 3.42Å; T359-H361 WeakPolarHBondContact CG2-NE2 3.31Å; H361-D378 IonicContact CE1-OD1 2.92Å; H361-D378 PolarHBondContact CE1-OD1 3.41Å; H361-D378 IonicContact CE1-OD2 2.84Å; H361-D378 IonicContact ND1-OD1 3.8Å; H361-D378 PolarHBondContact ND1-OD1 3.29Å; H361-D378 IonicContact NE2-OD1 3.54Å
362	V	93.1	Very high	92.2	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147.1	179	-60.9	0	0	0	0	111.5	Y347 S348 F349 L360 I373	Y347-V362 HydrophobicContact CD1-CB 3.78Å; Y347-V362 HydrophobicContact CD1-CG2 4.03Å; Y347-V362 HydrophobicContact CE1-CB 4.45Å; Y347-V362 HydrophobicContact CE1-CG2 4.22Å; Y347-V362 HydrophobicContact CG-CB 4.05Å; Y347-V362 HydrophobicContact CG-CG1 4.34Å; S348-V362 CarbonylContact O-C 3.53Å; S348-V362 WeakPolarHBondContact O-CA 3.32Å; F349-V362 HydrophobicContact CB-CG1 3.95Å; L360-V362 HydrophobicContact CD1-CG1 3.88Å; L360-V362 HydrophobicContact CD2-CG1 4.04Å; L360-V362 HydrophobicContact CG-CG1 3.85Å; V362-I373 HydrophobicContact CG2-CB 3.96Å; V362-I373 HydrophobicContact CG2-CG2 3.43Å; V362-I373 VanDerWaalsContact CG2-CG2 3.43Å
363	V	93.3	Very high	91.8	Very high	70 Å²	70	42.5 Å²	42.5	42%	0.424	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	126.8	168.5	179.6	0	0	0	0	107.5	Y347 S348 I365	Y347-V363 CarbonylContact C-O 3.39Å; Y347-V363 VanDerWaalsContact CA-O 3.28Å; Y347-V363 WeakPolarHBondContact CA-O 3.28Å; S348-V363 PolarHBondContact N-O 3.48Å; S348-V363 PolarHBondContact O-N 3.15Å; V363-I365 PolarHBondContact O-N 2.79Å
364	K	93.6	Very high	91.4	Very high	68 Å²	68	42.8 Å²	42.8	30%	0.296	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	131.2	-177	-179.8	-179	171.3	177	0	110	I345 Y347 V369 N371 E375	I345-K364 HydrophobicContact CD1-CD 4Å; I345-K364 HydrophobicContact CD1-CG 4.3Å; I345-K364 HydrophobicContact CG1-CG 4.44Å; Y347-K364 HydrophobicContact CD1-CB 4.17Å; Y347-K364 HydrophobicContact CE1-CB 4.05Å; K364-V369 PolarHBondContact NZ-O 3.09Å; K364-V369 VanDerWaalsContact NZ-O 3.15Å; K364-N371 HydrophobicContact CD-CB 4.07Å; K364-E375 PolarHBondContact N-OE2 2.84Å; K364-E375 VanDerWaalsContact N-OE2 3.09Å
365	I	93.1	Very high	90.9	Very high	54 Å²	54	42 Å²	42	28%	0.277	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-65.1	172.4	-59.9	172	0	0	0	109.7	V330 E346 V363 F459	V330-I365 HydrophobicContact CG1-CD1 4.13Å; V330-I365 HydrophobicContact CG2-CD1 3.79Å; E346-I365 PolarHBondContact O-N 2.93Å; V363-I365 PolarHBondContact O-N 2.79Å; I365-F459 HydrophobicContact CG2-CE1 3.94Å; I365-F459 HydrophobicContact CG2-CZ 3.63Å
366	T	94.1	Very high	90.3	Very high	60 Å²	60	40.8 Å²	40.8	37%	0.368	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	172.5	-174.6	-170.3	0	0	0	0	111.2	Y344 E346	Y344-T366 HydrophobicContact CE2-CG2 4.44Å; E346-T366 HydrophobicContact CB-CG2 3.9Å; E346-T366 HydrophobicContact CG-CG2 4.25Å; E346-T366 PolarHBondContact N-O 2.6Å; E346-T366 PolarHBondContact O-N 3.16Å; E346-T366 WeakPolarHBondContact OE2-CG2 3.47Å
367	G	91.3	Very high	89.9	Confident	20 Å²	20	41.9 Å²	41.9	21%	0.206	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.1	152.4	177.4	0	0	0	0	0	113.4	Y344 V369	Y344-G367 CarbonylContact O-C 3.6Å; Y344-G367 WeakPolarHBondContact O-CA 3.14Å; G367-V369 VanDerWaalsContact C-N 3.27Å; G367-V369 PolarHBondContact O-N 2.79Å
368	N	91	Very high	89.7	Confident	87 Å²	87	44.7 Å²	44.7	47%	0.465	24%	0.243	S	C	.	.	S	Bend	trans	-86.3	2.8	178.3	73.4	-3.9	0	0	0	113.5	K342 H343 Y344	K342-N368 PolarHBondContact O-ND2 3.18Å; H343-N368 VanDerWaalsContact CA-OD1 3.28Å; H343-N368 WeakPolarHBondContact CA-OD1 3.18Å; Y344-N368 HydrophobicContact CD1-CB 4.24Å; Y344-N368 HydrophobicContact CE1-CB 3.95Å; Y344-N368 PolarHBondContact N-OD1 3.07Å; Y344-N368 PolarHBondContact O-N 3.46Å; Y344-N368 PolarHBondContact O-OD1 2.97Å
369	V	89.3	Confident	89.4	Confident	4 Å²	4	45 Å²	45	2%	0.024	24%	0.244	C	C	.	.	S	Bend	trans	-122.2	153.4	172.7	-66.1	0	0	0	0	111.7	H343 I345 K364 G367 Y442	H343-V369 HydrophobicContact CB-CG1 3.6Å; H343-V369 WeakPolarHBondContact ND1-CG1 3.22Å; I345-V369 HydrophobicContact CB-CG2 4.07Å; K364-V369 PolarHBondContact NZ-O 3.09Å; K364-V369 VanDerWaalsContact NZ-O 3.15Å; G367-V369 VanDerWaalsContact C-N 3.27Å; G367-V369 PolarHBondContact O-N 2.79Å; V369-Y442 HydrophobicContact CG1-CE1 3.89Å; V369-Y442 WeakPolarHBondContact CG1-OH 2.97Å
370	P	87.3	Confident	89.2	Confident	44 Å²	44	44.8 Å²	44.8	29%	0.286	24%	0.243	S	C	.	.			trans	-67.2	157	173.2	-4.2	17.9	0	0	0	110.8	S436 N438	P370-S436 WeakPolarHBondContact O-CB 3.36Å; P370-N438 WeakPolarHBondContact CG-ND2 3.44Å
371	N	87.6	Confident	89.1	Confident	6 Å²	6	44.5 Å²	44.5	3%	0.032	24%	0.242	C	C	.	.			trans	-59.7	142.8	-178.9	-172.3	19.2	0	0	0	111.3	Y347 K364 I373 E375 S436 Q437	Y347-N371 VanDerWaalsContact CE1-OD1 3.31Å; Y347-N371 WeakPolarHBondContact CE1-OD1 3.37Å; Y347-N371 PolarHBondContact OH-OD1 2.7Å; K364-N371 HydrophobicContact CD-CB 4.07Å; N371-I373 VanDerWaalsContact CG-O 3.29Å; N371-I373 PolarHBondContact ND2-O 3.3Å; N371-I373 PolarHBondContact OD1-N 3.23Å; N371-I373 VanDerWaalsContact OD1-N 3.16Å; N371-I373 PolarHBondContact OD1-O 2.78Å; N371-I373 VanDerWaalsContact OD1-O 3.07Å; N371-E375 VanDerWaalsContact ND2-CG 3.35Å; N371-E375 WeakPolarHBondContact ND2-CG 3.45Å; N371-E375 PolarHBondContact ND2-OE1 3.36Å; N371-S436 CarbonylContact O-C 3.53Å; N371-S436 WeakPolarHBondContact O-CA 2.93Å; N371-Q437 PolarHBondContact ND2-NE2 3.39Å; N371-Q437 WeakPolarHBondContact O-CG 3.46Å; N371-Q437 PolarHBondContact O-N 2.87Å
372	A	86.4	Confident	88.8	Confident	7 Å²	7	42.5 Å²	42.5	6%	0.058	23%	0.234	C	C	.	.			trans	-119.9	-30.8	174.5	0	0	0	0	0	112.5	N411 W434 K435	A372-N411 PolarHBondContact O-ND2 3.47Å; A372-W434 HydrophobicContact CB-CD2 3.73Å; A372-W434 HydrophobicContact CB-CE3 4.22Å; A372-W434 HydrophobicContact CB-CG 4.26Å; A372-W434 HydrophobicContact CB-CH2 3.95Å; A372-W434 HydrophobicContact CB-CZ2 3.39Å; A372-W434 HydrophobicContact CB-CZ3 4.34Å; A372-K435 VanDerWaalsContact CB-O 3.29Å; A372-K435 WeakPolarHBondContact CB-O 3.16Å
373	I	87.3	Confident	88.6	Confident	8 Å²	8	42.9 Å²	42.9	4%	0.041	24%	0.237	C	C	.	.	S	Bend	trans	-85.8	129.1	-179.8	-58.5	178.3	0	0	0	108.7	I333 Y347 V362 N371 E375 L379 W434	I333-I373 HydrophobicContact CD1-CD1 3.98Å; Y347-I373 HydrophobicContact CE2-CD1 4.16Å; V362-I373 HydrophobicContact CG2-CB 3.96Å; V362-I373 HydrophobicContact CG2-CG2 3.43Å; V362-I373 VanDerWaalsContact CG2-CG2 3.43Å; N371-I373 VanDerWaalsContact CG-O 3.29Å; N371-I373 PolarHBondContact ND2-O 3.3Å; N371-I373 PolarHBondContact OD1-N 3.23Å; N371-I373 VanDerWaalsContact OD1-N 3.16Å; N371-I373 PolarHBondContact OD1-O 2.78Å; N371-I373 VanDerWaalsContact OD1-O 3.07Å; I373-E375 PolarHBondContact O-N 3.08Å; I373-L379 HydrophobicContact CG2-CD1 3.29Å; I373-W434 HydrophobicContact CD1-CH2 3.85Å; I373-W434 HydrophobicContact CD1-CZ3 4.07Å; I373-W434 HydrophobicContact CG1-CH2 3.74Å; I373-W434 HydrophobicContact CG1-CZ3 3.99Å
374	P	84.3	Confident	88.2	Confident	48 Å²	48	46.2 Å²	46.2	31%	0.312	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-59.6	124.1	178.6	-19.5	30.5	0	0	0	111.6	K377 L379	P374-K377 HydrophobicContact CB-CB 4.37Å; P374-K377 HydrophobicContact CB-CD 3.75Å; P374-K377 HydrophobicContact CB-CG 4.46Å; P374-L379 HydrophobicContact CG-CD2 4.37Å
375	E	83.8	Confident	87.9	Confident	64 Å²	64	46.5 Å²	46.5	30%	0.299	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	153.7	175.1	-70.8	171.7	-107.9	0	0	110.6	K364 N371 I373 K377	K364-E375 PolarHBondContact N-OE2 2.84Å; K364-E375 VanDerWaalsContact N-OE2 3.09Å; N371-E375 VanDerWaalsContact ND2-CG 3.35Å; N371-E375 WeakPolarHBondContact ND2-CG 3.45Å; N371-E375 PolarHBondContact ND2-OE1 3.36Å; I373-E375 PolarHBondContact O-N 3.08Å; E375-K377 PolarHBondContact O-N 2.96Å
376	N	78.3	Confident	87.5	Confident	136 Å²	136	46.6 Å²	46.6	73%	0.727	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	31	177	-53.9	-43.3	0	0	0	114.4
377	K	85.1	Confident	86.7	Confident	88 Å²	88	49.1 Å²	49.1	38%	0.383	25%	0.252	S	S	.	.	S	Bend	trans	-130.6	143.4	176.9	-71.3	-178	163.3	-148.6	0	110.3	P374 E375 L379 H405	P374-K377 HydrophobicContact CB-CB 4.37Å; P374-K377 HydrophobicContact CB-CD 3.75Å; P374-K377 HydrophobicContact CB-CG 4.46Å; E375-K377 PolarHBondContact O-N 2.96Å; K377-L379 HydrophobicContact CB-CD2 4.5Å; K377-L379 PolarHBondContact O-N 3.41Å; K377-H405 WeakPolarHBondContact CD-NE2 3.3Å; K377-H405 PolarHBondContact NZ-CE1 2.97Å; K377-H405 PolarHBondContact NZ-NE2 3.21Å
378	D	87.8	Confident	85.5	Confident	95 Å²	95	48.7 Å²	48.7	51%	0.508	25%	0.246	S	C	.	.			trans	-77.7	110.1	177.1	-63.7	22.6	0	0	0	107.7	T359 H361	T359-D378 HydrophobicContact CG2-CB 3.79Å; H361-D378 IonicContact CE1-OD1 2.92Å; H361-D378 PolarHBondContact CE1-OD1 3.41Å; H361-D378 IonicContact CE1-OD2 2.84Å; H361-D378 IonicContact ND1-OD1 3.8Å; H361-D378 PolarHBondContact ND1-OD1 3.29Å; H361-D378 IonicContact NE2-OD1 3.54Å
379	L	88.9	Confident	84.1	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.026	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-102.2	117.8	177.5	-52.8	174.6	0	0	0	108.7	T359 L360 I373 P374 K377 W403 W404 H405	T359-L379 CarbonylContact C-O 3.57Å; T359-L379 VanDerWaalsContact CA-O 3.31Å; T359-L379 WeakPolarHBondContact CA-O 3.32Å; L360-L379 HydrophobicContact CB-CB 4.39Å; L360-L379 PolarHBondContact N-O 3.3Å; L360-L379 WeakPolarHBondContact O-CB 3.43Å; L360-L379 PolarHBondContact O-N 3.48Å; L360-L379 VanDerWaalsContact O-N 3.08Å; I373-L379 HydrophobicContact CG2-CD1 3.29Å; P374-L379 HydrophobicContact CG-CD2 4.37Å; K377-L379 HydrophobicContact CB-CD2 4.5Å; K377-L379 PolarHBondContact O-N 3.41Å; L379-W403 HydrophobicContact CB-CB 3.76Å; L379-W404 WeakPolarHBondContact CA-O 3.49Å; L379-H405 HydrophobicContact CD2-CB 3.72Å
380	V	89.8	Confident	82.6	Confident	10 Å²	10	58.2 Å²	58.2	6%	0.061	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.5	-173.4	-176.4	0	0	0	0	110.3	N357 S382 A388 W403 W404	N357-V380 HydrophobicContact CB-CG1 3.64Å; V380-S382 PolarHBondContact O-N 3.5Å; V380-A388 HydrophobicContact CG1-CB 3.61Å; V380-W403 WeakPolarHBondContact O-CA 3.29Å; V380-W404 PolarHBondContact N-O 2.92Å; V380-W404 PolarHBondContact O-N 2.93Å
381	F	91.4	Very high	81.2	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	130.7	176.7	-157.5	-90.9	0	0	0	109.9	W299 Y302 W314 L317 N357 T383 W402 W403	W299-F381 HydrophobicContact CE3-CD1 4.19Å; W299-F381 HydrophobicContact CZ3-CB 4.19Å; W299-F381 AromaticContact CZ3-CD1 3.72Å; W299-F381 HydrophobicContact CZ3-CD1 3.72Å; W299-F381 HydrophobicContact CZ3-CG 4.43Å; W299-F381 WeakPolarHBondContact CZ3-O 3.49Å; Y302-F381 AromaticContact CD1-CE1 3.74Å; Y302-F381 HydrophobicContact CD1-CE1 3.74Å; Y302-F381 AromaticContact CD1-CZ 3.38Å; Y302-F381 HydrophobicContact CD1-CZ 3.38Å; Y302-F381 HydrophobicContact CD2-CE1 4.37Å; Y302-F381 HydrophobicContact CE1-CE1 4.43Å; Y302-F381 AromaticContact CE1-CZ 3.79Å; Y302-F381 HydrophobicContact CE1-CZ 3.79Å; Y302-F381 AromaticContact CG-CE1 3.7Å; Y302-F381 HydrophobicContact CG-CE1 3.7Å; Y302-F381 AromaticContact CG-CZ 3.86Å; Y302-F381 HydrophobicContact CG-CZ 3.86Å; W314-F381 HydrophobicContact CH2-CE2 4.25Å; W314-F381 HydrophobicContact CZ2-CE2 4.12Å; W314-F381 HydrophobicContact CZ2-CZ 4.26Å; L317-F381 HydrophobicContact CD1-CD1 3.56Å; L317-F381 HydrophobicContact CD1-CD2 4.38Å; L317-F381 HydrophobicContact CD1-CE1 3.71Å; L317-F381 HydrophobicContact CD1-CE2 4.49Å; L317-F381 HydrophobicContact CD1-CG 3.92Å; L317-F381 HydrophobicContact CD1-CZ 4.18Å; L317-F381 HydrophobicContact CD2-CD2 4Å; L317-F381 HydrophobicContact CD2-CE2 4.16Å; L317-F381 HydrophobicContact CD2-CG 4.23Å; N357-F381 VanDerWaalsContact O-CB 3.32Å; N357-F381 WeakPolarHBondContact O-CB 3.37Å; N357-F381 PolarHBondContact O-N 2.91Å; F381-T383 HydrophobicContact CE1-CG2 3.97Å; F381-W402 WeakPolarHBondContact CA-O 3.48Å; F381-W403 AromaticContact CD2-CD1 3.88Å; F381-W403 AromaticContact CD2-CD2 3.65Å; F381-W403 HydrophobicContact CD2-CD2 3.65Å; F381-W403 AromaticContact CD2-CE2 3.53Å; F381-W403 HydrophobicContact CD2-CE3 4.18Å; F381-W403 AromaticContact CD2-CG 3.93Å; F381-W403 HydrophobicContact CD2-CG 3.93Å; F381-W403 HydrophobicContact CD2-CZ2 4.02Å; F381-W403 AromaticContact CD2-NE1 3.63Å; F381-W403 HydrophobicContact CE2-CD2 4.16Å; F381-W403 HydrophobicContact CE2-CE3 4.22Å; F381-W403 HydrophobicContact CE2-CH2 4.45Å; F381-W403 HydrophobicContact CE2-CZ2 4.33Å; F381-W403 HydrophobicContact CE2-CZ3 4.36Å
382	S	88.3	Confident	79.8	Confident	16 Å²	16	66.4 Å²	66.4	11%	0.112	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.4	175.1	-52	0	0	0	0	111.4	V380 G401 W402	V380-S382 PolarHBondContact O-N 3.5Å; S382-G401 VanDerWaalsContact O-CA 3.23Å; S382-G401 WeakPolarHBondContact O-CA 3.35Å; S382-W402 PolarHBondContact N-O 3.44Å; S382-W402 PolarHBondContact O-N 2.88Å; S382-W402 VanDerWaalsContact O-N 3.15Å
383	T	88.6	Confident	78.3	Confident	11 Å²	11	69.1 Å²	69.1	7%	0.067	36%	0.355	C	S	.	.			trans	-126.3	177.2	175.2	48.9	0	0	0	0	108.8	W299 Y302 F381 D385 H386	W299-T383 WeakPolarHBondContact CB-OG1 3.17Å; W299-T383 HydrophobicContact CE3-CG2 4.39Å; W299-T383 PolarHBondContact N-OG1 2.94Å; Y302-T383 HydrophobicContact CD2-CG2 3.46Å; Y302-T383 VanDerWaalsContact CD2-CG2 3.46Å; Y302-T383 HydrophobicContact CE2-CG2 4.11Å; Y302-T383 HydrophobicContact CG-CG2 4.06Å; F381-T383 HydrophobicContact CE1-CG2 3.97Å; T383-D385 VanDerWaalsContact C-N 3.26Å; T383-D385 WeakPolarHBondContact CB-OD1 3.4Å; T383-D385 PolarHBondContact O-N 3.36Å; T383-D385 PolarHBondContact OG1-OD1 2.99Å; T383-H386 PolarHBondContact N-O 3.39Å; T383-H386 VanDerWaalsContact N-O 3.13Å; T383-H386 VanDerWaalsContact O-O 3.09Å; T383-H386 WeakPolarHBondContact OG1-CB 3.3Å; T383-H386 PolarHBondContact OG1-N 3.38Å
384	W	84.8	Confident	77.1	Confident	140 Å²	140	69.9 Å²	69.9	53%	0.53	36%	0.362	S	S	.	.	S	Bend	trans	-67.6	-28.8	-179.1	64.7	-93.2	0	0	0	112.4	E297 T298	E297-W384 PolarHBondContact O-NE1 3.23Å; T298-W384 HydrophobicContact CG2-CZ2 3.71Å
385	D	86.9	Confident	75.7	Confident	74 Å²	74	71 Å²	71	40%	0.396	37%	0.369	S	S	.	.	S	Bend	trans	-98	-19.4	-179.2	63.5	-40.8	0	0	0	114.4	T298 W299 T383	T298-D385 WeakPolarHBondContact CA-OD1 3.15Å; T298-D385 WeakPolarHBondContact CB-OD2 3.49Å; W299-D385 PolarHBondContact N-OD1 3.46Å; W299-D385 PolarHBondContact N-OD2 2.93Å; T383-D385 VanDerWaalsContact C-N 3.26Å; T383-D385 WeakPolarHBondContact CB-OD1 3.4Å; T383-D385 PolarHBondContact O-N 3.36Å; T383-D385 PolarHBondContact OG1-OD1 2.99Å
386	H	85.8	Confident	74.4	Confident	56 Å²	56	76.3 Å²	76.3	26%	0.259	39%	0.393	S	S	.	.			trans	-122.5	122	176.2	-174.4	84.2	0	0	0	112.9	W299 N357 T383	W299-H386 HydrophobicContact CB-CB 3.52Å; W299-H386 HydrophobicContact CD2-CB 3.73Å; W299-H386 AromaticContact CD2-CD2 3.51Å; W299-H386 AromaticContact CD2-CG 3.61Å; W299-H386 AromaticContact CE2-CD2 3.76Å; W299-H386 AromaticContact CE2-NE2 3.9Å; W299-H386 HydrophobicContact CE3-CB 3.77Å; W299-H386 AromaticContact CE3-CD2 3.32Å; W299-H386 AromaticContact CE3-CG 3.75Å; W299-H386 HydrophobicContact CG-CB 3.63Å; W299-H386 AromaticContact CG-CG 3.85Å; W299-H386 AromaticContact CH2-CD2 3.68Å; W299-H386 AromaticContact CH2-NE2 3.82Å; W299-H386 AromaticContact CZ2-CD2 3.87Å; W299-H386 AromaticContact CZ2-NE2 3.76Å; W299-H386 AromaticContact CZ3-CD2 3.39Å; W299-H386 WeakPolarHBondContact CZ3-CD2 3.12Å; N357-H386 PolarHBondContact OD1-NE2 3.48Å; T383-H386 PolarHBondContact N-O 3.39Å; T383-H386 VanDerWaalsContact N-O 3.13Å; T383-H386 VanDerWaalsContact O-O 3.09Å; T383-H386 WeakPolarHBondContact OG1-CB 3.3Å; T383-H386 PolarHBondContact OG1-N 3.38Å
387	K	76.1	Confident	73.2	Confident	113 Å²	113	71.3 Å²	71.3	49%	0.491	37%	0.369	S	S	.	.			trans	-125.3	128.9	-177.7	-59.2	176.5	-170.1	178.6	0	110	S393	K387-S393 VanDerWaalsContact CE-OG 3.3Å; K387-S393 WeakPolarHBondContact CE-OG 3.39Å; K387-S393 PolarHBondContact NZ-OG 3.01Å
388	A	66.9	Low	72.2	Confident	10 Å²	10	68.8 Å²	68.8	8%	0.083	36%	0.358	C	S	.	.			trans	-70.2	136	173.5	0	0	0	0	0	111	V380 G390 H391	V380-A388 HydrophobicContact CG1-CB 3.61Å; A388-G390 PolarHBondContact O-N 3.41Å; A388-H391 PolarHBondContact O-N 2.94Å
389	K	62.5	Low	71.6	Confident	213 Å²	213	65.2 Å²	65.2	93%	0.926	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	127.2	178.8	-70.8	-179.8	179.3	176.2	0	110
390	G	56.8	Low	71.5	Confident	79 Å²	79	65.3 Å²	65.3	81%	0.814	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	-8.8	177.3	0	0	0	0	0	115.4	A388	A388-G390 PolarHBondContact O-N 3.41Å
391	H	58.6	Low	71.5	Confident	62 Å²	62	64.8 Å²	64.8	29%	0.287	34%	0.339	S	S	.	.	S	Bend	trans	-99.6	145.3	173.1	-68.4	-80.1	0	0	0	111.5	A388 D406	A388-H391 PolarHBondContact O-N 2.94Å; H391-D406 IonicContact CE1-OD1 2.76Å; H391-D406 PolarHBondContact CE1-OD1 3.04Å; H391-D406 VanDerWaalsContact CE1-OD1 3.27Å; H391-D406 IonicContact ND1-OD1 2.73Å; H391-D406 PolarHBondContact ND1-OD1 2.95Å
392	F	56.5	Low	71.5	Confident	160 Å²	160	65.2 Å²	65.2	70%	0.702	34%	0.341	S	S	*	.			trans	-63	139.4	178.5	-79	-90.9	0	0	0	111.2	C394 D406	F392-C394 PolarHBondContact O-N 3.38Å; F392-C394 VanDerWaalsContact O-N 3.16Å; F392-D406 WeakPolarHBondContact CD2-O 3.1Å
393	S	56.4	Low	71.6	Confident	63 Å²	63	65.1 Å²	65.1	44%	0.441	34%	0.338	S	S	.	.			trans	-68.5	112.8	169.6	-177.5	0	0	0	0	108.7	K387	K387-S393 VanDerWaalsContact CE-OG 3.3Å; K387-S393 WeakPolarHBondContact CE-OG 3.39Å; K387-S393 PolarHBondContact NZ-OG 3.01Å
394	C	62.6	Low	71.4	Confident	25 Å²	25	65.4 Å²	65.4	17%	0.169	34%	0.338	C	S	.	.			trans	-54.7	133.9	161.8	-56.6	0	0	0	0	108.8	F392 E396 Y398 C408	F392-C394 PolarHBondContact O-N 3.38Å; F392-C394 VanDerWaalsContact O-N 3.16Å; C394-E396 PolarHBondContact O-N 3.47Å; C394-Y398 HydrophobicContact CB-CD2 4.22Å; C394-Y398 HydrophobicContact CB-CG 4.39Å; C394-C408 WeakPolarHBondContact CA-SG 3.38Å; C394-C408 HydrophobicContact CB-CB 3.75Å; C394-C408 WeakPolarHBondContact CB-SG 3.36Å; C394-C408 PolarHBondContact N-SG 2.89Å; C394-C408 WeakPolarHBondContact SG-CB 3.46Å; C394-C408 CovalentContact SG-SG 2.01Å; C394-C408 PolarHBondContact SG-SG 3.33Å
395	P	54.5	Low	71	Confident	71 Å²	71	61 Å²	61	46%	0.461	32%	0.323	S	S	.	.			trans	-52.2	141.4	175.5	-25.8	32.4	0	0	0	109.2	S397 Y398	P395-S397 WeakPolarHBondContact CB-OG 3.43Å; P395-S397 PolarHBondContact O-N 3.32Å; P395-Y398 HydrophobicContact CB-CD2 4.49Å; P395-Y398 HydrophobicContact CG-CD2 4.41Å; P395-Y398 HydrophobicContact CG-CE2 4.37Å; P395-Y398 PolarHBondContact O-N 3.2Å
396	E	56.2	Low	69.9	Low	175 Å²	175	60.8 Å²	60.8	82%	0.818	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-21.4	176.2	-69.7	177.1	174.3	0	0	113.3	C394 Y398	C394-E396 PolarHBondContact O-N 3.47Å; E396-Y398 VanDerWaalsContact C-N 3.28Å; E396-Y398 PolarHBondContact O-N 2.85Å
397	S	53.7	Low	68.9	Low	32 Å²	32	65.9 Å²	65.9	22%	0.224	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.7	172	60.7	0	0	0	0	116.2	P395 S399 R430	P395-S397 WeakPolarHBondContact CB-OG 3.43Å; P395-S397 PolarHBondContact O-N 3.32Å; S397-S399 PolarHBondContact O-N 3.15Å; S397-S399 VanDerWaalsContact O-N 3.13Å; S397-R430 WeakPolarHBondContact O-CD 3.42Å; S397-R430 WeakPolarHBondContact O-CG 3.43Å
398	Y	62.3	Low	68.6	Low	35 Å²	35	61.7 Å²	61.7	14%	0.137	33%	0.33	C	S	.	.	S	Bend	trans	-78.8	95.1	171	-75.6	-95.3	0	0	0	107.7	C394 P395 E396 W404 C408 G409 R429	C394-Y398 HydrophobicContact CB-CD2 4.22Å; C394-Y398 HydrophobicContact CB-CG 4.39Å; P395-Y398 HydrophobicContact CB-CD2 4.49Å; P395-Y398 HydrophobicContact CG-CD2 4.41Å; P395-Y398 HydrophobicContact CG-CE2 4.37Å; P395-Y398 PolarHBondContact O-N 3.2Å; E396-Y398 VanDerWaalsContact C-N 3.28Å; E396-Y398 PolarHBondContact O-N 2.85Å; Y398-W404 AromaticContact CD1-CH2 3.63Å; Y398-W404 HydrophobicContact CD1-CH2 3.63Å; Y398-W404 HydrophobicContact CD1-CZ2 4.46Å; Y398-W404 HydrophobicContact CD1-CZ3 4.1Å; Y398-W404 HydrophobicContact CE1-CH2 4.38Å; Y398-W404 HydrophobicContact CE1-CZ3 4.43Å; Y398-W404 HydrophobicContact CG-CH2 4.24Å; Y398-C408 HydrophobicContact CE2-CB 4.29Å; Y398-G409 VanDerWaalsContact CE1-O 3.32Å; Y398-G409 WeakPolarHBondContact CE1-O 3.45Å; Y398-R429 WeakPolarHBondContact CD1-O 3.2Å
399	S	75.5	Confident	68.4	Low	20 Å²	20	62.7 Å²	62.7	14%	0.14	34%	0.341	C	S	.	.			trans	-71.3	140	179.4	-56.8	0	0	0	0	110.7	S397 N412 G415	S397-S399 PolarHBondContact O-N 3.15Å; S397-S399 VanDerWaalsContact O-N 3.13Å; S399-N412 PolarHBondContact O-ND2 3.42Å; S399-G415 WeakPolarHBondContact O-CA 3.41Å
400	G	87.1	Confident	68.8	Low	6 Å²	6	57.3 Å²	57.3	6%	0.062	32%	0.319	C	S	.	.	S	Bend	trans	84.7	148.6	174.3	0	0	0	0	0	115.8	F295 N296	F295-G400 WeakPolarHBondContact O-CA 3.32Å; N296-G400 PolarHBondContact OD1-N 2.93Å
401	G	90.6	Very high	70.2	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.286	C	S	.	.			trans	-75.5	135	-179.8	0	0	0	0	0	112	Y302 S382 N414	Y302-G401 PolarHBondContact OH-N 2.97Å; S382-G401 VanDerWaalsContact O-CA 3.23Å; S382-G401 WeakPolarHBondContact O-CA 3.35Å; G401-N414 VanDerWaalsContact O-CB 3.29Å; G401-N414 WeakPolarHBondContact O-CB 3.49Å; G401-N414 PolarHBondContact O-ND2 2.57Å
402	W	91.4	Very high	71.5	Confident	9 Å²	9	51.7 Å²	51.7	3%	0.034	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	167.5	-176.9	-163.4	-111	0	0	0	111.8	F381 S382 W404 N411 N412 L413 N414 M449	F381-W402 WeakPolarHBondContact CA-O 3.48Å; S382-W402 PolarHBondContact N-O 3.44Å; S382-W402 PolarHBondContact O-N 2.88Å; S382-W402 VanDerWaalsContact O-N 3.15Å; W402-W404 HydrophobicContact CB-CD2 4.31Å; W402-W404 HydrophobicContact CB-CH2 4.21Å; W402-W404 HydrophobicContact CB-CZ2 3.62Å; W402-W404 HydrophobicContact CG-CZ2 4.42Å; W402-W404 PolarHBondContact O-NE1 3.02Å; W402-N411 PolarHBondContact NE1-O 3.11Å; W402-N411 VanDerWaalsContact NE1-O 3.08Å; W402-N412 HydrophobicContact CG-CB 4.37Å; W402-L413 HydrophobicContact CH2-CB 3.72Å; W402-L413 HydrophobicContact CH2-CD1 3.98Å; W402-L413 HydrophobicContact CH2-CG 3.77Å; W402-L413 HydrophobicContact CZ2-CB 4.48Å; W402-L413 HydrophobicContact CZ2-CG 4.21Å; W402-L413 HydrophobicContact CZ3-CB 3.85Å; W402-L413 HydrophobicContact CZ3-CG 4.42Å; W402-N414 HydrophobicContact CE3-CB 4.06Å; W402-M449 HydrophobicContact CH2-CE 4.22Å; W402-M449 HydrophobicContact CH2-SD 3.88Å; W402-M449 HydrophobicContact CZ3-SD 3.97Å
403	W	90.7	Very high	73.3	Confident	14 Å²	14	44.1 Å²	44.1	5%	0.053	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	109.5	171.8	-66.5	-82.5	0	0	0	110.4	W314 L317 L351 Y358 L360 L379 V380 F381 M449	W314-W403 AromaticContact CH2-CH2 3.57Å; W314-W403 HydrophobicContact CH2-CH2 3.57Å; W314-W403 HydrophobicContact CH2-CZ2 4.44Å; W314-W403 AromaticContact CH2-CZ3 3.88Å; W314-W403 HydrophobicContact CH2-CZ3 3.88Å; W314-W403 HydrophobicContact CZ2-CH2 4.28Å; L317-W403 HydrophobicContact CD2-CZ2 3.99Å; L351-W403 HydrophobicContact CD1-CZ2 3.74Å; Y358-W403 PolarHBondContact O-NE1 3.33Å; L360-W403 HydrophobicContact CB-CB 4.29Å; L360-W403 HydrophobicContact CB-CD2 3.97Å; L360-W403 HydrophobicContact CB-CG 3.63Å; L360-W403 HydrophobicContact CD2-CB 4.17Å; L360-W403 HydrophobicContact CD2-CD2 3.64Å; L360-W403 HydrophobicContact CD2-CE3 3.87Å; L360-W403 HydrophobicContact CD2-CG 3.81Å; L360-W403 HydrophobicContact CD2-CZ3 4.44Å; L360-W403 HydrophobicContact CG-CD2 4.4Å; L360-W403 HydrophobicContact CG-CG 4.37Å; L379-W403 HydrophobicContact CB-CB 3.76Å; V380-W403 WeakPolarHBondContact O-CA 3.29Å; F381-W403 AromaticContact CD2-CD1 3.88Å; F381-W403 AromaticContact CD2-CD2 3.65Å; F381-W403 HydrophobicContact CD2-CD2 3.65Å; F381-W403 AromaticContact CD2-CE2 3.53Å; F381-W403 HydrophobicContact CD2-CE3 4.18Å; F381-W403 AromaticContact CD2-CG 3.93Å; F381-W403 HydrophobicContact CD2-CG 3.93Å; F381-W403 HydrophobicContact CD2-CZ2 4.02Å; F381-W403 AromaticContact CD2-NE1 3.63Å; F381-W403 HydrophobicContact CE2-CD2 4.16Å; F381-W403 HydrophobicContact CE2-CE3 4.22Å; F381-W403 HydrophobicContact CE2-CH2 4.45Å; F381-W403 HydrophobicContact CE2-CZ2 4.33Å; F381-W403 HydrophobicContact CE2-CZ3 4.36Å; W403-M449 HydrophobicContact CZ3-CE 4.05Å
404	W	83.9	Confident	75	Confident	17 Å²	17	41.1 Å²	41.1	6%	0.064	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	150.9	-177.3	-54.2	102.9	0	0	0	111.3	L379 V380 Y398 W402 C408 N412	L379-W404 WeakPolarHBondContact CA-O 3.49Å; V380-W404 PolarHBondContact N-O 2.92Å; V380-W404 PolarHBondContact O-N 2.93Å; Y398-W404 AromaticContact CD1-CH2 3.63Å; Y398-W404 HydrophobicContact CD1-CH2 3.63Å; Y398-W404 HydrophobicContact CD1-CZ2 4.46Å; Y398-W404 HydrophobicContact CD1-CZ3 4.1Å; Y398-W404 HydrophobicContact CE1-CH2 4.38Å; Y398-W404 HydrophobicContact CE1-CZ3 4.43Å; Y398-W404 HydrophobicContact CG-CH2 4.24Å; W402-W404 HydrophobicContact CB-CD2 4.31Å; W402-W404 HydrophobicContact CB-CH2 4.21Å; W402-W404 HydrophobicContact CB-CZ2 3.62Å; W402-W404 HydrophobicContact CG-CZ2 4.42Å; W402-W404 PolarHBondContact O-NE1 3.02Å; W404-C408 HydrophobicContact CE3-CB 4.49Å; W404-N412 HydrophobicContact CH2-CB 3.74Å; W404-N412 HydrophobicContact CZ2-CB 4.49Å; W404-N412 HydrophobicContact CZ3-CB 4.41Å
405	H	76.2	Confident	76.3	Confident	48 Å²	48	39.9 Å²	39.9	22%	0.222	21%	0.211	C	C	.	.			trans	-100.5	173.4	163	-172	-91.7	0	0	0	108.8	K377 L379 E407	K377-H405 WeakPolarHBondContact CD-NE2 3.3Å; K377-H405 PolarHBondContact NZ-CE1 2.97Å; K377-H405 PolarHBondContact NZ-NE2 3.21Å; L379-H405 HydrophobicContact CD2-CB 3.72Å; H405-E407 CarbonylContact O-C 3.3Å; H405-E407 VanDerWaalsContact O-C 3.3Å; H405-E407 PolarHBondContact O-N 2.73Å
406	D	63	Low	77.9	Confident	68 Å²	68	41.8 Å²	41.8	36%	0.364	21%	0.212	S	C	.	.	S	Bend	trans	-45.7	-23.9	-178.1	-56.9	-29.8	0	0	0	116.2	H391 F392	H391-D406 IonicContact CE1-OD1 2.76Å; H391-D406 PolarHBondContact CE1-OD1 3.04Å; H391-D406 VanDerWaalsContact CE1-OD1 3.27Å; H391-D406 IonicContact ND1-OD1 2.73Å; H391-D406 PolarHBondContact ND1-OD1 2.95Å; F392-D406 WeakPolarHBondContact CD2-O 3.1Å
407	E	66.3	Low	79.4	Confident	163 Å²	163	35 Å²	35	76%	0.762	18%	0.179	S	C	*	.	S	Bend	trans	-118	122.4	167.4	-65.6	-179.9	-172.5	0	0	108.2	H405 G409	H405-E407 CarbonylContact O-C 3.3Å; H405-E407 VanDerWaalsContact O-C 3.3Å; H405-E407 PolarHBondContact O-N 2.73Å; E407-G409 PolarHBondContact O-N 2.78Å
408	C	68	Low	80.6	Confident	26 Å²	26	36.3 Å²	36.3	18%	0.176	18%	0.183	C	C	.	.			trans	-53.3	107.2	-179.9	-61.3	0	0	0	0	110.7	C394 Y398 W404	C394-C408 WeakPolarHBondContact CA-SG 3.38Å; C394-C408 HydrophobicContact CB-CB 3.75Å; C394-C408 WeakPolarHBondContact CB-SG 3.36Å; C394-C408 PolarHBondContact N-SG 2.89Å; C394-C408 WeakPolarHBondContact SG-CB 3.46Å; C394-C408 CovalentContact SG-SG 2.01Å; C394-C408 PolarHBondContact SG-SG 3.33Å; Y398-C408 HydrophobicContact CE2-CB 4.29Å; W404-C408 HydrophobicContact CE3-CB 4.49Å
409	G	64.2	Low	81.2	Confident	30 Å²	30	41.1 Å²	41.1	31%	0.309	21%	0.205	S	C	.	.			trans	-67.8	167	-170.6	0	0	0	0	0	112.9	Y398 E407 N411	Y398-G409 VanDerWaalsContact CE1-O 3.32Å; Y398-G409 WeakPolarHBondContact CE1-O 3.45Å; E407-G409 PolarHBondContact O-N 2.78Å; G409-N411 PolarHBondContact O-N 3.31Å
410	E	71.3	Confident	80.8	Confident	100 Å²	100	44 Å²	44	47%	0.467	22%	0.222	S	C	.	.	S	Bend	trans	-82.4	4	172.8	-66.5	-173.8	-144.1	0	0	112.7	S433 K435	E410-S433 WeakPolarHBondContact O-CB 3.38Å; E410-S433 PolarHBondContact O-OG 2.94Å; E410-K435 HydrophobicContact CB-CB 4.35Å; E410-K435 HydrophobicContact CB-CD 4.07Å; E410-K435 HydrophobicContact CG-CD 4.43Å; E410-K435 IonicContact OE1-NZ 2.72Å; E410-K435 PolarHBondContact OE1-NZ 2.89Å; E410-K435 WeakPolarHBondContact OE2-CD 3.31Å; E410-K435 WeakPolarHBondContact OE2-CE 3.42Å; E410-K435 IonicContact OE2-NZ 3.75Å; E410-K435 PolarHBondContact OE2-NZ 3.41Å
411	N	84.3	Confident	79.6	Confident	21 Å²	21	51.6 Å²	51.6	11%	0.112	25%	0.25	C	C	.	.			trans	-108.5	118.7	-177.1	-66	-33	0	0	0	110.6	A372 W402 G409 S433 W434 K435	A372-N411 PolarHBondContact O-ND2 3.47Å; W402-N411 PolarHBondContact NE1-O 3.11Å; W402-N411 VanDerWaalsContact NE1-O 3.08Å; G409-N411 PolarHBondContact O-N 3.31Å; N411-S433 WeakPolarHBondContact CA-O 3.22Å; N411-W434 WeakPolarHBondContact OD1-CA 3.41Å; N411-K435 PolarHBondContact ND2-O 3.36Å; N411-K435 WeakPolarHBondContact OD1-CA 3.45Å; N411-K435 PolarHBondContact OD1-N 3.38Å; N411-K435 PolarHBondContact OD1-O 3.13Å
412	N	87.8	Confident	77.9	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.016	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-158.7	104.6	175.8	-177.5	2.3	0	0	0	109.8	S399 W402 W404 N414 G415 L432 S433	S399-N412 PolarHBondContact O-ND2 3.42Å; W402-N412 HydrophobicContact CG-CB 4.37Å; W404-N412 HydrophobicContact CH2-CB 3.74Å; W404-N412 HydrophobicContact CZ2-CB 4.49Å; W404-N412 HydrophobicContact CZ3-CB 4.41Å; N412-N414 VanDerWaalsContact C-N 3.26Å; N412-N414 WeakPolarHBondContact OD1-CA 3.31Å; N412-N414 WeakPolarHBondContact OD1-CB 3.35Å; N412-N414 PolarHBondContact OD1-N 2.77Å; N412-G415 PolarHBondContact O-N 3.09Å; N412-G415 PolarHBondContact OD1-N 3.16Å; N412-L432 WeakPolarHBondContact O-CA 3.45Å; N412-S433 PolarHBondContact N-O 3.43Å; N412-S433 PolarHBondContact N-OG 2.99Å; N412-S433 PolarHBondContact O-N 3.22Å
413	L	92.8	Very high	75.7	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-10.3	176.9	-56	-176.7	0	0	0	112.6	Q286 R288 I333 L335 W402 G415 W434 I444 T447 M449	Q286-L413 PolarHBondContact NE2-O 2.79Å; R288-L413 PolarHBondContact NH1-O 2.78Å; I333-L413 HydrophobicContact CD1-CD1 4.42Å; I333-L413 HydrophobicContact CG2-CD1 3.56Å; L335-L413 HydrophobicContact CD2-CD1 4.05Å; L335-L413 HydrophobicContact CD2-CD2 3.86Å; W402-L413 HydrophobicContact CH2-CB 3.72Å; W402-L413 HydrophobicContact CH2-CD1 3.98Å; W402-L413 HydrophobicContact CH2-CG 3.77Å; W402-L413 HydrophobicContact CZ2-CB 4.48Å; W402-L413 HydrophobicContact CZ2-CG 4.21Å; W402-L413 HydrophobicContact CZ3-CB 3.85Å; W402-L413 HydrophobicContact CZ3-CG 4.42Å; L413-G415 VanDerWaalsContact C-N 3.33Å; L413-W434 HydrophobicContact CD1-CE3 4.08Å; L413-W434 HydrophobicContact CD1-CZ3 4.09Å; L413-W434 HydrophobicContact CD2-CB 4.25Å; L413-W434 HydrophobicContact CD2-CE3 3.83Å; L413-W434 HydrophobicContact CG-CE3 4.09Å; L413-W434 HydrophobicContact CG-CZ3 4.42Å; L413-I444 HydrophobicContact CD2-CD1 3.63Å; L413-T447 HydrophobicContact CB-CG2 4.48Å; L413-T447 HydrophobicContact CD2-CG2 4.08Å; L413-M449 HydrophobicContact CD1-CG 4.49Å
414	N	93.5	Very high	73.7	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	8.7	174.4	-69.6	-12.8	0	0	0	112.5	Q286 F295 Y302 G401 W402 N412	Q286-N414 PolarHBondContact NE2-OD1 2.82Å; F295-N414 WeakPolarHBondContact CB-O 3.42Å; F295-N414 HydrophobicContact CD1-CB 4.01Å; Y302-N414 WeakPolarHBondContact OH-CB 3.21Å; G401-N414 VanDerWaalsContact O-CB 3.29Å; G401-N414 WeakPolarHBondContact O-CB 3.49Å; G401-N414 PolarHBondContact O-ND2 2.57Å; W402-N414 HydrophobicContact CE3-CB 4.06Å; N412-N414 VanDerWaalsContact C-N 3.26Å; N412-N414 WeakPolarHBondContact OD1-CA 3.31Å; N412-N414 WeakPolarHBondContact OD1-CB 3.35Å; N412-N414 PolarHBondContact OD1-N 2.77Å
415	G	89.3	Confident	72	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	39%	0.387	C	S	.	.	S	Bend	trans	-58.7	172.6	175	0	0	0	0	0	114.2	R288 S399 N412 L413 Y417 L432	R288-G415 PolarHBondContact NH1-O 3.44Å; R288-G415 PolarHBondContact NH2-O 2.86Å; S399-G415 WeakPolarHBondContact O-CA 3.41Å; N412-G415 PolarHBondContact O-N 3.09Å; N412-G415 PolarHBondContact OD1-N 3.16Å; L413-G415 VanDerWaalsContact C-N 3.33Å; G415-Y417 PolarHBondContact O-N 3.39Å; G415-L432 WeakPolarHBondContact O-CD1 3.3Å
416	K	87.3	Confident	70.8	Confident	111 Å²	111	80.2 Å²	80.2	48%	0.483	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-61.6	131.9	174.5	-174.4	178	177	176.3	0	110.2	N418 R430 G431 L432	K416-N418 PolarHBondContact O-N 2.01Å; K416-N418 VanDerWaalsContact O-N 3.12Å; K416-R430 WeakPolarHBondContact CB-O 3.27Å; K416-R430 PolarHBondContact N-O 3.34Å; K416-G431 CarbonylContact O-C 3.57Å; K416-G431 VanDerWaalsContact O-CA 3.24Å; K416-G431 WeakPolarHBondContact O-CA 3.48Å; K416-L432 WeakPolarHBondContact O-CD1 3.41Å; K416-L432 PolarHBondContact O-N 2.89Å
417	Y	87.8	Confident	70.4	Confident	33 Å²	33	81.5 Å²	81.5	13%	0.129	41%	0.407	C	S	.	.			trans	-73.1	108.2	175.6	-163.3	-81.8	0	0	0	110.2	I289 G291 W338 G415 K419 L432 K445	I289-Y417 PolarHBondContact O-OH 3.32Å; G291-Y417 VanDerWaalsContact CA-CB 3.44Å; G291-Y417 VanDerWaalsContact CA-CG 3.41Å; W338-Y417 HydrophobicContact CH2-CE1 4.12Å; W338-Y417 WeakPolarHBondContact CH2-OH 3.35Å; W338-Y417 HydrophobicContact CZ2-CE1 4.15Å; G415-Y417 PolarHBondContact O-N 3.39Å; Y417-K419 HydrophobicContact CD1-CG 4.22Å; Y417-K419 HydrophobicContact CE1-CG 3.82Å; Y417-L432 VanDerWaalsContact CA-CD1 3.5Å; Y417-L432 HydrophobicContact CD2-CD1 3.89Å; Y417-L432 HydrophobicContact CD2-CD2 4.27Å; Y417-L432 HydrophobicContact CG-CD1 4.29Å; Y417-K445 WeakPolarHBondContact CE2-O 3.42Å; Y417-K445 VanDerWaalsContact CZ-O 3.29Å; Y417-K445 PolarHBondContact OH-O 2.91Å
418	N	79.9	Confident	69.7	Low	58 Å²	58	82.3 Å²	82.3	31%	0.31	40%	0.403	S	S	.	.			trans	-109.9	104	-177.7	-70.2	-28.7	0	0	0	109.3	K416 G431	K416-N418 PolarHBondContact O-N 2.01Å; K416-N418 VanDerWaalsContact O-N 3.12Å; N418-G431 WeakPolarHBondContact ND2-CA 3.31Å
419	K	74.3	Confident	69	Low	137 Å²	137	89.6 Å²	89.6	60%	0.596	43%	0.427	S	S	*	.			trans	-62.5	139.6	168.2	-67.1	179.8	-178.3	175.9	0	109.1	W338 Y417 R421	W338-K419 HydrophobicContact CH2-CB 4.46Å; W338-K419 HydrophobicContact CH2-CG 4.15Å; Y417-K419 HydrophobicContact CD1-CG 4.22Å; Y417-K419 HydrophobicContact CE1-CG 3.82Å; K419-R421 PolarHBondContact O-N 3.32Å
420	P	67.8	Low	69.1	Low	79 Å²	79	93.1 Å²	93.1	51%	0.513	43%	0.431	S	S	.	.			trans	-62.4	105.5	-177.9	22	-31.1	0	0	0	109.6	W338	W338-P420 HydrophobicContact CD2-CG 3.6Å; W338-P420 HydrophobicContact CE3-CG 3.72Å; W338-P420 HydrophobicContact CG-CG 4.07Å; W338-P420 HydrophobicContact CH2-CG 4.44Å; W338-P420 HydrophobicContact CZ2-CG 4.34Å; W338-P420 HydrophobicContact CZ3-CG 4.14Å
421	R	62.3	Low	69.3	Low	167 Å²	167	88.8 Å²	88.8	63%	0.63	41%	0.413	S	S	*	.			trans	-73.5	134.1	171.5	-83.4	-177.4	162.4	142.1	-6.9	108.8	E91 K419 K423 S424	E91-R421 IonicContact OE1-CZ 3.72Å; E91-R421 IonicContact OE1-NH2 3.88Å; E91-R421 PolarHBondContact OE1-NH2 2.94Å; K419-R421 PolarHBondContact O-N 3.32Å; R421-K423 PolarHBondContact O-N 2.92Å; R421-S424 VanDerWaalsContact CB-OG 3.3Å; R421-S424 WeakPolarHBondContact CB-OG 3.31Å
422	T	54	Low	69.4	Low	143 Å²	143	88.8 Å²	88.8	88%	0.877	41%	0.413	S	S	*	.	S	Bend	trans	-63.5	-12.6	-177.2	46.4	0	0	0	0	114.3
423	K	45.9	Very low	69.2	Low	200 Å²	200	89 Å²	89	87%	0.87	42%	0.415	S	S	*	.	S	Bend	trans	-144.6	3.7	-173.5	-65.3	-169.1	179.7	-179.6	0	118.4	R421	R421-K423 PolarHBondContact O-N 2.92Å
424	S	47.7	Very low	68.9	Low	64 Å²	64	89 Å²	89	45%	0.448	42%	0.415	S	S	.	.	S	Bend	trans	-107.3	138.3	176.9	60.2	0	0	0	0	111.5	R421	R421-S424 VanDerWaalsContact CB-OG 3.3Å; R421-S424 WeakPolarHBondContact CB-OG 3.31Å
425	K	49.5	Very low	68.6	Low	194 Å²	194	92 Å²	92	84%	0.843	43%	0.428	S	S	*	.			trans	-49.8	131.6	167.2	-76.1	-179.3	178.6	174.7	0	108.1	E427	K425-E427 PolarHBondContact O-N 3.27Å
426	P	50.7	Low	68.3	Low	88 Å²	88	92.2 Å²	92.2	57%	0.571	43%	0.43	S	S	*	.			trans	-55.7	130.4	175.5	19.7	-28.6	0	0	0	107.9	R428	P426-R428 HydrophobicContact CB-CG 4.2Å; P426-R428 HydrophobicContact CG-CG 3.96Å; P426-R428 WeakPolarHBondContact O-CG 3.49Å; P426-R428 PolarHBondContact O-N 2.99Å
427	E	53	Low	67.9	Low	94 Å²	94	93.4 Å²	93.4	44%	0.439	44%	0.437	S	S	.	.			trans	-67.1	77.4	165.9	-76.8	-169.9	156	0	0	107.4	K425 R429 R430 G431	K425-E427 PolarHBondContact O-N 3.27Å; E427-R429 PolarHBondContact O-N 3.36Å; E427-R430 HydrophobicContact CB-CB 4.35Å; E427-R430 HydrophobicContact CB-CG 4.28Å; E427-R430 PolarHBondContact O-N 3.21Å; E427-R430 IonicContact OE1-NH1 3.27Å; E427-R430 WeakPolarHBondContact OE2-CD 3.48Å; E427-R430 IonicContact OE2-NH1 2.68Å; E427-G431 PolarHBondContact O-N 3.28Å
428	R	52.8	Low	67.3	Low	180 Å²	180	96.8 Å²	96.8	68%	0.679	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.6	-170.1	-70.1	-177.9	177.7	152.6	-2.1	113.5	P426	P426-R428 HydrophobicContact CB-CG 4.2Å; P426-R428 HydrophobicContact CG-CG 3.96Å; P426-R428 WeakPolarHBondContact O-CG 3.49Å; P426-R428 PolarHBondContact O-N 2.99Å
429	R	53.3	Low	67.1	Low	179 Å²	179	96 Å²	96	68%	0.675	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-4.4	-176.8	-65	-173.8	172.7	161.8	-3.5	114.4	Y398 E427	Y398-R429 WeakPolarHBondContact CD1-O 3.2Å; E427-R429 PolarHBondContact O-N 3.36Å
430	R	65.8	Low	67.3	Low	105 Å²	105	95.6 Å²	95.6	40%	0.396	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-16.2	-175	-45.7	-157.6	175.8	162.3	-15.5	114.2	S397 K416 E427	S397-R430 WeakPolarHBondContact O-CD 3.42Å; S397-R430 WeakPolarHBondContact O-CG 3.43Å; K416-R430 WeakPolarHBondContact CB-O 3.27Å; K416-R430 PolarHBondContact N-O 3.34Å; E427-R430 HydrophobicContact CB-CB 4.35Å; E427-R430 HydrophobicContact CB-CG 4.28Å; E427-R430 PolarHBondContact O-N 3.21Å; E427-R430 IonicContact OE1-NH1 3.27Å; E427-R430 WeakPolarHBondContact OE2-CD 3.48Å; E427-R430 IonicContact OE2-NH1 2.68Å
431	G	76.5	Confident	67.9	Low	9 Å²	9	95.6 Å²	95.6	9%	0.093	45%	0.453	C	S	.	.	B	Isolated β-bridge	trans	-85.8	175.4	-173.7	0	0	0	0	0	114.5	K416 N418 E427 S433	K416-G431 CarbonylContact O-C 3.57Å; K416-G431 VanDerWaalsContact O-CA 3.24Å; K416-G431 WeakPolarHBondContact O-CA 3.48Å; N418-G431 WeakPolarHBondContact ND2-CA 3.31Å; E427-G431 PolarHBondContact O-N 3.28Å; G431-S433 PolarHBondContact O-N 3.48Å
432	L	85.4	Confident	68.8	Low	20 Å²	20	88.3 Å²	88.3	11%	0.105	43%	0.425	C	S	.	.			trans	-59.4	118.7	162.3	-77.8	77.1	0	0	0	108.7	R288 N412 G415 K416 Y417 I444 T447	R288-L432 HydrophobicContact CB-CD2 3.89Å; R288-L432 HydrophobicContact CG-CD2 4.04Å; N412-L432 WeakPolarHBondContact O-CA 3.45Å; G415-L432 WeakPolarHBondContact O-CD1 3.3Å; K416-L432 WeakPolarHBondContact O-CD1 3.41Å; K416-L432 PolarHBondContact O-N 2.89Å; Y417-L432 VanDerWaalsContact CA-CD1 3.5Å; Y417-L432 HydrophobicContact CD2-CD1 3.89Å; Y417-L432 HydrophobicContact CD2-CD2 4.27Å; Y417-L432 HydrophobicContact CG-CD1 4.29Å; L432-I444 HydrophobicContact CB-CB 4.12Å; L432-I444 HydrophobicContact CB-CD1 4.27Å; L432-I444 HydrophobicContact CB-CG2 4.21Å; L432-I444 HydrophobicContact CD2-CG2 3.87Å; L432-T447 HydrophobicContact CD2-CG2 3.89Å
433	S	83.9	Confident	70.2	Confident	9 Å²	9	85.1 Å²	85.1	6%	0.063	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.1	-173.8	62.9	0	0	0	0	112.1	E410 N411 N412 G431	E410-S433 WeakPolarHBondContact O-CB 3.38Å; E410-S433 PolarHBondContact O-OG 2.94Å; N411-S433 WeakPolarHBondContact CA-O 3.22Å; N412-S433 PolarHBondContact N-O 3.43Å; N412-S433 PolarHBondContact N-OG 2.99Å; N412-S433 PolarHBondContact O-N 3.22Å; G431-S433 PolarHBondContact O-N 3.48Å
434	W	87.3	Confident	72.2	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	112.8	171.2	-170.8	-96.5	0	0	0	107.5	I333 L335 I345 Y347 A372 I373 N411 L413 Y442 I444	I333-W434 HydrophobicContact CD1-CH2 3.71Å; I333-W434 HydrophobicContact CD1-CZ3 3.87Å; I333-W434 HydrophobicContact CG2-CH2 4.48Å; I333-W434 HydrophobicContact CG2-CZ3 4.43Å; L335-W434 HydrophobicContact CD1-CB 3.87Å; L335-W434 VanDerWaalsContact CD1-CD1 3.49Å; L335-W434 HydrophobicContact CD1-CD2 3.87Å; L335-W434 HydrophobicContact CD1-CG 3.48Å; L335-W434 VanDerWaalsContact CD1-CG 3.48Å; I345-W434 HydrophobicContact CG2-CH2 4.16Å; I345-W434 HydrophobicContact CG2-CZ2 3.74Å; Y347-W434 HydrophobicContact CE2-CH2 4.35Å; A372-W434 HydrophobicContact CB-CD2 3.73Å; A372-W434 HydrophobicContact CB-CE3 4.22Å; A372-W434 HydrophobicContact CB-CG 4.26Å; A372-W434 HydrophobicContact CB-CH2 3.95Å; A372-W434 HydrophobicContact CB-CZ2 3.39Å; A372-W434 HydrophobicContact CB-CZ3 4.34Å; I373-W434 HydrophobicContact CD1-CH2 3.85Å; I373-W434 HydrophobicContact CD1-CZ3 4.07Å; I373-W434 HydrophobicContact CG1-CH2 3.74Å; I373-W434 HydrophobicContact CG1-CZ3 3.99Å; N411-W434 WeakPolarHBondContact OD1-CA 3.41Å; L413-W434 HydrophobicContact CD1-CE3 4.08Å; L413-W434 HydrophobicContact CD1-CZ3 4.09Å; L413-W434 HydrophobicContact CD2-CB 4.25Å; L413-W434 HydrophobicContact CD2-CE3 3.83Å; L413-W434 HydrophobicContact CG-CE3 4.09Å; L413-W434 HydrophobicContact CG-CZ3 4.42Å; W434-Y442 AromaticContact CD1-CD2 3.73Å; W434-Y442 WeakPolarHBondContact O-CD2 3.33Å; W434-Y442 PolarHBondContact O-N 3.47Å; W434-I444 HydrophobicContact CB-CD1 3.61Å; W434-I444 HydrophobicContact CB-CG1 4.46Å
435	K	85.9	Confident	74.3	Confident	63 Å²	63	75.7 Å²	75.7	27%	0.274	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	110.8	179.1	-178.5	175.2	178.5	-175.9	0	107.7	A372 E410 N411 R440 L441	A372-K435 VanDerWaalsContact CB-O 3.29Å; A372-K435 WeakPolarHBondContact CB-O 3.16Å; E410-K435 HydrophobicContact CB-CB 4.35Å; E410-K435 HydrophobicContact CB-CD 4.07Å; E410-K435 HydrophobicContact CG-CD 4.43Å; E410-K435 IonicContact OE1-NZ 2.72Å; E410-K435 PolarHBondContact OE1-NZ 2.89Å; E410-K435 WeakPolarHBondContact OE2-CD 3.31Å; E410-K435 WeakPolarHBondContact OE2-CE 3.42Å; E410-K435 IonicContact OE2-NZ 3.75Å; E410-K435 PolarHBondContact OE2-NZ 3.41Å; N411-K435 PolarHBondContact ND2-O 3.36Å; N411-K435 WeakPolarHBondContact OD1-CA 3.45Å; N411-K435 PolarHBondContact OD1-N 3.38Å; N411-K435 PolarHBondContact OD1-O 3.13Å; K435-R440 WeakPolarHBondContact CA-O 3.45Å; K435-L441 HydrophobicContact CB-CD1 4.12Å
436	S	83.1	Confident	76.4	Confident	4 Å²	4	67.4 Å²	67.4	3%	0.028	33%	0.327	C	S	.	.			trans	-70.2	160.6	175.5	44.8	0	0	0	0	111.3	P370 N371 N438 G439 R440	P370-S436 WeakPolarHBondContact O-CB 3.36Å; N371-S436 CarbonylContact O-C 3.53Å; N371-S436 WeakPolarHBondContact O-CA 2.93Å; S436-N438 WeakPolarHBondContact CB-OD1 3.02Å; S436-N438 PolarHBondContact O-N 2.89Å; S436-N438 VanDerWaalsContact O-N 3.09Å; S436-N438 PolarHBondContact OG-OD1 3.43Å; S436-G439 WeakPolarHBondContact O-CA 3.32Å; S436-G439 PolarHBondContact O-N 2.96Å; S436-R440 PolarHBondContact N-O 2.89Å; S436-R440 VanDerWaalsContact N-O 3.11Å; S436-R440 PolarHBondContact OG-O 2.99Å
437	Q	78.3	Confident	78.6	Confident	136 Å²	136	63.2 Å²	63.2	64%	0.636	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.9	-179.6	-76.9	173.3	-3.4	0	0	113.8	N371 G439	N371-Q437 PolarHBondContact ND2-NE2 3.39Å; N371-Q437 WeakPolarHBondContact O-CG 3.46Å; N371-Q437 PolarHBondContact O-N 2.87Å; Q437-G439 PolarHBondContact O-N 2.92Å
438	N	75.5	Confident	80.7	Confident	104 Å²	104	61.3 Å²	61.3	56%	0.556	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	4.4	172.8	70.4	-5.5	0	0	0	114.1	P370 S436 R440	P370-N438 WeakPolarHBondContact CG-ND2 3.44Å; S436-N438 WeakPolarHBondContact CB-OD1 3.02Å; S436-N438 PolarHBondContact O-N 2.89Å; S436-N438 VanDerWaalsContact O-N 3.09Å; S436-N438 PolarHBondContact OG-OD1 3.43Å; N438-R440 PolarHBondContact O-N 3.35Å; N438-R440 WeakPolarHBondContact OD1-CB 3.37Å; N438-R440 PolarHBondContact OD1-N 2.91Å; N438-R440 VanDerWaalsContact OD1-N 3.13Å
439	G	76.8	Confident	82.8	Confident	42 Å²	42	52.9 Å²	52.9	43%	0.433	26%	0.258	S	S	.	.	S	Bend	trans	84.2	-1.5	177.8	0	0	0	0	0	115.6	S436 Q437 L441	S436-G439 WeakPolarHBondContact O-CA 3.32Å; S436-G439 PolarHBondContact O-N 2.96Å; Q437-G439 PolarHBondContact O-N 2.92Å; G439-L441 PolarHBondContact O-N 3.19Å
440	R	78	Confident	84.9	Confident	127 Å²	127	44.4 Å²	44.4	48%	0.479	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-71.8	118.8	177.8	-178.6	176.3	175.1	-179.5	-1.5	110.6	K435 S436 N438 Y442	K435-R440 WeakPolarHBondContact CA-O 3.45Å; S436-R440 PolarHBondContact N-O 2.89Å; S436-R440 VanDerWaalsContact N-O 3.11Å; S436-R440 PolarHBondContact OG-O 2.99Å; N438-R440 PolarHBondContact O-N 3.35Å; N438-R440 WeakPolarHBondContact OD1-CB 3.37Å; N438-R440 PolarHBondContact OD1-N 2.91Å; N438-R440 VanDerWaalsContact OD1-N 3.13Å; R440-Y442 HydrophobicContact CB-CE2 4.35Å; R440-Y442 HydrophobicContact CG-CD2 4.45Å; R440-Y442 HydrophobicContact CG-CE2 4.02Å
441	L	81.4	Confident	86.4	Confident	79 Å²	79	39.4 Å²	39.4	41%	0.414	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.2	171.1	-176.1	67.5	0	0	0	110	K435 G439	K435-L441 HydrophobicContact CB-CD1 4.12Å; G439-L441 PolarHBondContact O-N 3.19Å
442	Y	80.8	Confident	87.2	Confident	14 Å²	14	41 Å²	41	6%	0.055	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	134.8	176.3	-67.1	-98.5	0	0	0	110.2	H343 V369 W434 R440 I444	H343-Y442 AromaticContact CD2-CD1 3.68Å; H343-Y442 AromaticContact CD2-CE1 3.78Å; H343-Y442 AromaticContact CE1-CE1 3.89Å; H343-Y442 AromaticContact NE2-CD1 3.76Å; H343-Y442 AromaticContact NE2-CE1 3.63Å; V369-Y442 HydrophobicContact CG1-CE1 3.89Å; V369-Y442 WeakPolarHBondContact CG1-OH 2.97Å; W434-Y442 AromaticContact CD1-CD2 3.73Å; W434-Y442 WeakPolarHBondContact O-CD2 3.33Å; W434-Y442 PolarHBondContact O-N 3.47Å; R440-Y442 HydrophobicContact CB-CE2 4.35Å; R440-Y442 HydrophobicContact CG-CD2 4.45Å; R440-Y442 HydrophobicContact CG-CE2 4.02Å; Y442-I444 PolarHBondContact O-N 3.2Å
443	S	82.3	Confident	87.5	Confident	76 Å²	76	41 Å²	41	53%	0.531	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	91	175.8	-165	0	0	0	0	108.4	D337 W338	D337-S443 WeakPolarHBondContact CA-O 3.33Å; D337-S443 VanDerWaalsContact CB-O 3.22Å; D337-S443 WeakPolarHBondContact CB-O 3.48Å; W338-S443 VanDerWaalsContact CD1-O 3.26Å; W338-S443 VanDerWaalsContact CD1-OG 3.3Å; W338-S443 PolarHBondContact N-O 3.3Å
444	I	88.8	Confident	87.6	Confident	11 Å²	11	42.1 Å²	42.1	6%	0.056	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.2	-169.5	-57.8	172.2	0	0	0	110.9	L335 W338 L413 L432 W434 Y442 S446 T447	L335-I444 HydrophobicContact CD2-CD1 4.34Å; W338-I444 PolarHBondContact NE1-O 2.95Å; L413-I444 HydrophobicContact CD2-CD1 3.63Å; L432-I444 HydrophobicContact CB-CB 4.12Å; L432-I444 HydrophobicContact CB-CD1 4.27Å; L432-I444 HydrophobicContact CB-CG2 4.21Å; L432-I444 HydrophobicContact CD2-CG2 3.87Å; W434-I444 HydrophobicContact CB-CD1 3.61Å; W434-I444 HydrophobicContact CB-CG1 4.46Å; Y442-I444 PolarHBondContact O-N 3.2Å; I444-S446 WeakPolarHBondContact CG2-O 3.35Å; I444-T447 HydrophobicContact CG2-CG2 3.28Å
445	K	91.2	Very high	86.5	Confident	56 Å²	56	49.2 Å²	49.2	24%	0.243	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-42	172	176.6	-173.7	168.8	-153.1	0	111.1	E336 W338 D340 Y417	E336-K445 PolarHBondContact O-N 3.39Å; E336-K445 IonicContact OE1-NZ 3.78Å; E336-K445 PolarHBondContact OE1-NZ 3.22Å; W338-K445 HydrophobicContact CD2-CB 3.81Å; W338-K445 HydrophobicContact CD2-CD 4.45Å; W338-K445 HydrophobicContact CD2-CG 4.04Å; W338-K445 HydrophobicContact CE3-CB 4.22Å; W338-K445 HydrophobicContact CE3-CD 4.1Å; W338-K445 HydrophobicContact CE3-CG 3.91Å; W338-K445 HydrophobicContact CG-CB 4.07Å; W338-K445 HydrophobicContact CH2-CG 4.08Å; W338-K445 HydrophobicContact CZ2-CB 4.17Å; W338-K445 HydrophobicContact CZ2-CG 4.2Å; W338-K445 HydrophobicContact CZ3-CD 4.38Å; W338-K445 HydrophobicContact CZ3-CG 3.93Å; D340-K445 IonicContact OD1-NZ 3.24Å; D340-K445 PolarHBondContact OD1-NZ 2.73Å; Y417-K445 WeakPolarHBondContact CE2-O 3.42Å; Y417-K445 VanDerWaalsContact CZ-O 3.29Å; Y417-K445 PolarHBondContact OH-O 2.91Å
446	S	94.8	Very high	84.5	Confident	20 Å²	20	49.8 Å²	49.8	14%	0.14	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.2	175.6	70.3	0	0	0	0	111.2	R288 E336 I444	R288-S446 CarbonylContact O-C 3.57Å; R288-S446 WeakPolarHBondContact O-CA 3.42Å; R288-S446 WeakPolarHBondContact O-CB 3.49Å; E336-S446 WeakPolarHBondContact CB-OG 3.47Å; E336-S446 PolarHBondContact N-O 3.24Å; E336-S446 PolarHBondContact O-N 2.76Å; I444-S446 WeakPolarHBondContact CG2-O 3.35Å
447	T	96.1	Very high	82.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.7	176.9	68.2	0	0	0	0	110.9	Q286 H287 R288 E334 L335 L413 L432 I444	Q286-T447 PolarHBondContact NE2-OG1 3.35Å; Q286-T447 PolarHBondContact OE1-O 3.36Å; Q286-T447 PolarHBondContact OE1-OG1 2.82Å; H287-T447 WeakPolarHBondContact CA-O 3.49Å; H287-T447 PolarHBondContact CD2-O 3.04Å; R288-T447 WeakPolarHBondContact CB-OG1 3.25Å; R288-T447 WeakPolarHBondContact CG-OG1 3.47Å; R288-T447 PolarHBondContact N-O 3.34Å; R288-T447 PolarHBondContact O-N 2.84Å; E334-T447 CarbonylContact O-C 3.5Å; E334-T447 VanDerWaalsContact O-CA 3.28Å; E334-T447 WeakPolarHBondContact O-CA 3.33Å; L335-T447 HydrophobicContact CD2-CG2 3.67Å; L413-T447 HydrophobicContact CB-CG2 4.48Å; L413-T447 HydrophobicContact CD2-CG2 4.08Å; L432-T447 HydrophobicContact CD2-CG2 3.89Å; I444-T447 HydrophobicContact CG2-CG2 3.28Å
448	K	97	Very high	80.2	Confident	54 Å²	54	56.1 Å²	56.1	24%	0.235	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.9	165.2	-69.6	175.6	170.1	-170.4	0	109	D275 L284 Q286 H287 I333 E334 L450	D275-K448 IonicContact OD2-NZ 3.85Å; D275-K448 PolarHBondContact OD2-NZ 2.94Å; L284-K448 HydrophobicContact CD1-CB 4.48Å; L284-K448 HydrophobicContact CD1-CD 4.21Å; L284-K448 HydrophobicContact CD1-CG 4.5Å; Q286-K448 WeakPolarHBondContact O-CA 3.44Å; H287-K448 VanDerWaalsContact CD2-CG 3.44Å; H287-K448 WeakPolarHBondContact CD2-CG 3.45Å; H287-K448 WeakPolarHBondContact NE2-CE 3.22Å; I333-K448 WeakPolarHBondContact CA-O 3.36Å; E334-K448 HydrophobicContact CB-CB 4.33Å; E334-K448 PolarHBondContact N-O 3.08Å; E334-K448 PolarHBondContact O-N 3.16Å; K448-L450 HydrophobicContact CB-CD1 3.72Å; K448-L450 HydrophobicContact CB-CG 4.3Å
449	M	97.7	Very high	78.6	Confident	3 Å²	3	58 Å²	58	2%	0.015	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.2	163.4	-57.9	179.3	64	0	0	107.7	I285 Q286 W314 L331 R332 I333 W402 W403 L413	I285-M449 HydrophobicContact CD1-CB 4.07Å; I285-M449 HydrophobicContact CD1-CE 4.42Å; I285-M449 HydrophobicContact CG1-CB 3.69Å; I285-M449 WeakPolarHBondContact CG1-O 3.46Å; I285-M449 PolarHBondContact N-O 3.44Å; Q286-M449 HydrophobicContact CB-CB 3.87Å; Q286-M449 HydrophobicContact CB-CG 3.96Å; Q286-M449 HydrophobicContact CB-SD 3.97Å; Q286-M449 HydrophobicContact CG-SD 4.36Å; Q286-M449 PolarHBondContact N-O 2.89Å; Q286-M449 PolarHBondContact O-N 2.66Å; W314-M449 HydrophobicContact CZ3-SD 4.47Å; L331-M449 HydrophobicContact CD1-CB 4.27Å; L331-M449 HydrophobicContact CD1-CE 3.97Å; L331-M449 HydrophobicContact CD2-CE 4.18Å; R332-M449 WeakPolarHBondContact O-CA 3.34Å; I333-M449 HydrophobicContact CD1-CE 4.38Å; I333-M449 HydrophobicContact CG1-CG 4.31Å; W402-M449 HydrophobicContact CH2-CE 4.22Å; W402-M449 HydrophobicContact CH2-SD 3.88Å; W402-M449 HydrophobicContact CZ3-SD 3.97Å; W403-M449 HydrophobicContact CZ3-CE 4.05Å; L413-M449 HydrophobicContact CD1-CG 4.49Å
450	L	96.6	Very high	76.4	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.9	-174.2	-50.5	97.6	0	0	0	110.1	D275 W282 T283 L284 L331 R332 E334 K448	D275-L450 HydrophobicContact CB-CD2 4.32Å; W282-L450 HydrophobicContact CB-CB 4.01Å; W282-L450 HydrophobicContact CB-CD2 3.49Å; W282-L450 VanDerWaalsContact CB-CD2 3.49Å; W282-L450 HydrophobicContact CB-CG 4.39Å; W282-L450 HydrophobicContact CD2-CB 4.09Å; W282-L450 HydrophobicContact CD2-CD2 4.35Å; W282-L450 HydrophobicContact CE3-CB 3.57Å; W282-L450 HydrophobicContact CG-CB 4.29Å; W282-L450 HydrophobicContact CG-CD2 3.85Å; W282-L450 HydrophobicContact CZ3-CB 4.42Å; T283-L450 CarbonylContact O-C 3.52Å; T283-L450 WeakPolarHBondContact O-CA 3.37Å; L284-L450 HydrophobicContact CD1-CB 4.48Å; L284-L450 HydrophobicContact CD1-CD2 3.26Å; L284-L450 HydrophobicContact CD1-CG 3.47Å; L284-L450 VanDerWaalsContact CD1-CG 3.47Å; L331-L450 CarbonylContact C-O 3.54Å; L331-L450 WeakPolarHBondContact CA-O 3.38Å; R332-L450 HydrophobicContact CB-CB 4.32Å; R332-L450 HydrophobicContact CB-CD1 4.38Å; R332-L450 HydrophobicContact CG-CD1 4.24Å; R332-L450 PolarHBondContact N-O 3.15Å; R332-L450 PolarHBondContact O-N 3.45Å; E334-L450 HydrophobicContact CB-CD1 4.5Å; E334-L450 HydrophobicContact CG-CD1 3.81Å; K448-L450 HydrophobicContact CB-CD1 3.72Å; K448-L450 HydrophobicContact CB-CG 4.3Å
451	I	96.7	Very high	76.3	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.9	173.3	64.8	176.8	0	0	0	111.1	T283 I285 I323 V324 Y329 V330 L331 F349	T283-I451 HydrophobicContact CG2-CG1 4.47Å; T283-I451 PolarHBondContact N-O 3.23Å; T283-I451 PolarHBondContact O-N 3.48Å; I285-I451 HydrophobicContact CD1-CG2 3.85Å; I285-I451 HydrophobicContact CG1-CG2 4.33Å; I285-I451 HydrophobicContact CG2-CD1 3.75Å; I285-I451 HydrophobicContact CG2-CG1 3.84Å; I285-I451 HydrophobicContact CG2-CG2 4.25Å; I323-I451 HydrophobicContact CB-CD1 4.09Å; I323-I451 HydrophobicContact CD1-CD1 4.29Å; I323-I451 HydrophobicContact CG2-CD1 3.6Å; V324-I451 HydrophobicContact CG1-CD1 3.72Å; Y329-I451 HydrophobicContact CD1-CB 4.09Å; Y329-I451 HydrophobicContact CD1-CD1 4.26Å; Y329-I451 HydrophobicContact CD1-CG1 4.21Å; Y329-I451 HydrophobicContact CE1-CD1 4.47Å; V330-I451 VanDerWaalsContact O-CA 3.28Å; V330-I451 WeakPolarHBondContact O-CA 2.9Å; L331-I451 HydrophobicContact CD1-CG2 4.11Å; F349-I451 HydrophobicContact CE1-CG2 4.04Å; F349-I451 HydrophobicContact CZ-CB 4.48Å; F349-I451 HydrophobicContact CZ-CG2 3.69Å
452	H	93.3	Very high	76	Confident	44 Å²	44	65.3 Å²	65.3	20%	0.204	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	136.9	177.2	-178.8	77.1	0	0	0	109.4	P281 W282 Y329 V330	P281-H452 PolarHBondContact O-ND1 3.49Å; W282-H452 HydrophobicContact CD2-CB 3.9Å; W282-H452 HydrophobicContact CE3-CB 3.44Å; W282-H452 VanDerWaalsContact CE3-CB 3.44Å; W282-H452 HydrophobicContact CH2-CB 3.84Å; W282-H452 HydrophobicContact CZ2-CB 4.26Å; W282-H452 HydrophobicContact CZ3-CB 3.41Å; W282-H452 VanDerWaalsContact CZ3-CB 3.41Å; Y329-H452 CarbonylContact C-O 3.51Å; Y329-H452 VanDerWaalsContact CA-O 3.29Å; Y329-H452 WeakPolarHBondContact CA-O 3.09Å; V330-H452 PolarHBondContact N-O 3.17Å; V330-H452 PolarHBondContact O-N 2.83Å; V330-H452 VanDerWaalsContact O-N 3.1Å
453	P	92.1	Very high	75.8	Confident	18 Å²	18	68.2 Å²	68.2	12%	0.117	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	144.6	175.3	-5.6	17.9	0	0	0	110	T247 N328 Y329	T247-P453 HydrophobicContact CG2-CG 4.36Å; T247-P453 WeakPolarHBondContact OG1-CD 3.28Å; T247-P453 VanDerWaalsContact OG1-CG 3.3Å; T247-P453 WeakPolarHBondContact OG1-CG 3.08Å; N328-P453 WeakPolarHBondContact O-CA 3.36Å; Y329-P453 HydrophobicContact CD1-CB 4.42Å; Y329-P453 HydrophobicContact CD1-CG 4.34Å; Y329-P453 HydrophobicContact CE1-CB 4.11Å; Y329-P453 HydrophobicContact CE1-CG 3.7Å; Y329-P453 HydrophobicContact CE2-CB 4.4Å
454	T	85.2	Confident	75.4	Confident	33 Å²	33	67.7 Å²	67.7	20%	0.202	35%	0.347	C	S	.	.			trans	-116.1	133.5	171	-173.3	0	0	0	0	109.7	N328 V330 S456	N328-T454 HydrophobicContact CB-CG2 3.73Å; N328-T454 PolarHBondContact O-N 3.05Å; V330-T454 HydrophobicContact CG2-CG2 4.17Å; T454-S456 PolarHBondContact O-N 3.1Å
455	D	65.1	Low	74.6	Confident	149 Å²	149	71.3 Å²	71.3	80%	0.797	37%	0.365	S	S	*	.			trans	-75.3	104.6	165.1	-61.7	-33.7	0	0	0	106.2	E457	D455-E457 PolarHBondContact O-N 3.11Å
456	S	43.9	Very low	73.4	Confident	75 Å²	75	72.3 Å²	72.3	52%	0.524	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	74.9	179.2	-65	0	0	0	0	111	N328 T454	N328-S456 PolarHBondContact ND2-OG 3.44Å; T454-S456 PolarHBondContact O-N 3.1Å
457	E	38.2	Very low	71.9	Confident	192 Å²	192	76 Å²	76	90%	0.897	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	-4.8	161.3	-74.2	-168	169.7	0	0	112.5	D455	D455-E457 PolarHBondContact O-N 3.11Å
458	S	33.3	Very low	70.1	Confident	81 Å²	81	81.8 Å²	81.8	57%	0.566	42%	0.42	S	S	*	.	S	Bend	trans	-100.6	10.7	-172.9	66	0	0	0	0	115.7
459	F	40.5	Very low	67.8	Low	145 Å²	145	84.2 Å²	84.2	64%	0.636	44%	0.435	S	S	*	.			trans	-141.1	62.5	179.2	-62	-77.4	0	0	0	111.4	I365	I365-F459 HydrophobicContact CG2-CE1 3.94Å; I365-F459 HydrophobicContact CG2-CZ 3.63Å
460	E	31.1	Very low	65.1	Low	270 Å²	270	91.5 Å²	91.5	100%	1.262	47%	0.473	S	S	*	.			trans	-119.6	0	153.3	-85.1	-169.1	162.5	0	0	110.1

Retrieved 460 of 460 residues in 117.9 ms (Link to these results)

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