F6RY71_MACMU Loading...

Protein phosphatase Mn(2+)-dependent 1K

AlphaFold DB , UniProt , Accession F6RY71, Species MACMU (Macaca mulatta, Rhesus macaque), Gene PPM1K, Length 372 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	35.6	Very low	32	Very low	238 Å²	238	140.3 Å²	140.3	100%	1.172	79%	0.793	S	S	*	*				0	97.4	0	-55.5	-131	-156.2	0	0	105.7
2	S	27.5	Very low	31.9	Very low	111 Å²	111	138.1 Å²	138.1	78%	0.776	79%	0.793	S	S	*	*				49.5	116	101.5	-134.9	0	0	0	0	110.5
3	T	31.7	Very low	31.7	Very low	125 Å²	125	134.1 Å²	134.1	77%	0.767	80%	0.8	S	S	*	*				-176.6	130.8	58.1	31.9	0	0	0	0	107
4	A	33.8	Very low	31.6	Very low	100 Å²	100	130.2 Å²	130.2	83%	0.826	80%	0.802	S	S	*	*				74.9	142.9	85.6	0	0	0	0	0	117.3
5	A	33.5	Very low	31.6	Very low	91 Å²	91	132.2 Å²	132.2	75%	0.752	81%	0.805	S	S	*	*			trans	95.7	107	162.6	0	0	0	0	0	117.2
6	L	30.5	Very low	31.6	Very low	151 Å²	151	136.4 Å²	136.4	79%	0.791	81%	0.814	S	S	*	*				80.7	130.5	64	-97.5	99.9	0	0	0	115.7
7	I	33.9	Very low	31.6	Very low	139 Å²	139	135.6 Å²	135.6	71%	0.713	81%	0.81	S	S	*	*			trans	82	141.1	141.4	-68.7	162.3	0	0	0	118.1
8	T	30.3	Very low	31.5	Very low	104 Å²	104	141.3 Å²	141.3	64%	0.638	81%	0.814	S	S	*	*			cis	174.8	169.1	-17.2	-49.3	0	0	0	0	105
9	L	31.1	Very low	31.5	Very low	149 Å²	149	145.8 Å²	145.8	78%	0.78	82%	0.817	S	S	*	*			trans	91.9	138	155.4	-58.5	145.5	0	0	0	114.8
10	V	31.4	Very low	31.5	Very low	104 Å²	104	149.5 Å²	149.5	63%	0.63	82%	0.817	S	S	*	*			cis	-176.2	152.1	13.1	115.4	0	0	0	0	113.6
11	R	32.6	Very low	31.4	Very low	231 Å²	231	149.4 Å²	149.4	87%	0.872	82%	0.821	S	S	*	*			trans	61.5	151.8	149.4	-76.5	174.9	-178.6	174.1	-4.5	120.2
12	S	31.4	Very low	31.2	Very low	114 Å²	114	144 Å²	144	80%	0.797	80%	0.796	S	S	*	*			cis	-166.9	144.6	20	30.2	0	0	0	0	111.2
13	G	29.4	Very low	31.3	Very low	86 Å²	86	147.2 Å²	147.2	89%	0.887	80%	0.804	S	S	*	*				99.8	140.1	118.1	0	0	0	0	0	113.4
14	G	29.8	Very low	31.3	Very low	80 Å²	80	146.2 Å²	146.2	83%	0.825	80%	0.802	S	S	*	*			cis	-171.9	174	6.3	0	0	0	0	0	110.5
15	N	30.8	Very low	31.1	Very low	160 Å²	160	147.3 Å²	147.3	86%	0.856	80%	0.803	S	S	*	*			trans	-63.1	155.5	-171.4	-69.7	-34.4	0	0	0	116.9
16	Q	31.9	Very low	30.9	Very low	200 Å²	200	154 Å²	154	94%	0.935	81%	0.809	S	S	*	*				-159.5	150	122.5	-108.2	-167.6	19.5	0	0	114
17	V	31.8	Very low	30.8	Very low	123 Å²	123	153.9 Å²	153.9	75%	0.745	81%	0.809	S	S	*	*			trans	-116.1	142.3	-170.2	165.2	0	0	0	0	109.1
18	R	30.5	Very low	30.6	Very low	237 Å²	237	154 Å²	154	89%	0.894	81%	0.81	S	S	*	*			trans	-175.2	116.7	134.7	-107.9	174.8	179.2	-167.3	0.1	116.5
19	R	31.7	Very low	30.6	Very low	228 Å²	228	157.4 Å²	157.4	86%	0.86	82%	0.819	S	S	*	*			trans	35.2	118.1	134.5	-74.6	-178.6	173.3	-175.8	-1.5	123.3
20	R	31.3	Very low	30.6	Very low	218 Å²	218	157.1 Å²	157.1	82%	0.823	82%	0.818	S	S	*	*				30.1	133.9	119.2	-88.5	-174	178.1	-178.4	0.3	120.5
21	V	28.4	Very low	30.4	Very low	148 Å²	148	158 Å²	158	90%	0.897	82%	0.819	S	S	*	*				-144.7	138.8	122.7	174.9	0	0	0	0	110
22	L	32.5	Very low	30.3	Very low	124 Å²	124	157.1 Å²	157.1	65%	0.649	82%	0.815	S	S	*	*			trans	-86.6	158	177.4	-79.1	143.3	0	0	0	111.2
23	L	29.2	Very low	30.1	Very low	179 Å²	179	163.1 Å²	163.1	94%	0.937	82%	0.821	S	S	*	*			trans	-161.3	135.3	131.1	-101.1	162.3	0	0	0	109.7
24	S	31.7	Very low	30	Very low	105 Å²	105	165.6 Å²	165.6	73%	0.734	82%	0.818	S	S	*	*			trans	-115.9	148.9	-175.1	56.2	0	0	0	0	110.5
25	S	29.1	Very low	30.1	Very low	122 Å²	122	167.9 Å²	167.9	85%	0.853	82%	0.816	S	S	*	*			trans	-150.8	122.6	149	56	0	0	0	0	110.3
26	R	29.6	Very low	30.2	Very low	233 Å²	233	166 Å²	166	88%	0.879	81%	0.813	S	S	*	*			trans	-89.8	154.1	170.1	-73.6	177.8	169.8	-179.4	-3.6	109.2
27	L	29.4	Very low	30.3	Very low	148 Å²	148	162.1 Å²	162.1	78%	0.775	80%	0.803	S	S	*	*				165.4	128.6	114.8	-87	160.1	0	0	0	113.4
28	L	29.3	Very low	30.1	Very low	141 Å²	141	162.8 Å²	162.8	74%	0.738	81%	0.812	S	S	*	*			trans	68.5	138.3	141.9	-60.3	165.1	0	0	0	118.7
29	Q	30.5	Very low	30	Very low	176 Å²	176	159.6 Å²	159.6	82%	0.822	81%	0.807	S	S	*	*			cis	-163.7	118.3	36.3	-135.1	163.2	0.8	0	0	108.2
30	D	29.4	Very low	30	Very low	142 Å²	142	153.9 Å²	153.9	76%	0.759	80%	0.802	S	S	*	*				54.9	111.3	101.7	-121.9	0.1	0	0	0	117.2
31	D	29.1	Very low	29.9	Very low	122 Å²	122	149.1 Å²	149.1	65%	0.652	80%	0.802	S	S	*	*				175.5	135.2	98.4	-119.6	-32	0	0	0	114.3
32	R	28.7	Very low	30.1	Very low	213 Å²	213	148.3 Å²	148.3	80%	0.804	80%	0.797	S	S	*	*			trans	56.1	105.4	147.6	-73.9	162.4	-172.6	-148.6	-2.9	124.3
33	R	27.9	Very low	30.2	Very low	240 Å²	240	147.9 Å²	147.9	91%	0.906	81%	0.805	S	S	*	*				33.4	127.9	124.9	-68.4	-178.7	178.6	176.1	-0.2	119.7
34	V	28	Very low	30.4	Very low	139 Å²	139	147.5 Å²	147.5	84%	0.842	80%	0.798	S	S	*	*				-166.5	128.2	101.2	168.2	0	0	0	0	109.2
35	T	31	Very low	30.8	Very low	127 Å²	127	148.5 Å²	148.5	78%	0.779	80%	0.802	S	S	*	*			trans	-81.2	148.6	165.9	44.8	0	0	0	0	110.3
36	P	32.4	Very low	31	Very low	122 Å²	122	154.1 Å²	154.1	79%	0.792	81%	0.805	S	S	*	*				-142.7	159.5	88.6	30.5	-10.2	0	0	0	115.9
37	T	34.8	Very low	31.5	Very low	118 Å²	118	149 Å²	149	72%	0.724	80%	0.803	S	S	*	*			trans	-46.6	144.6	174.2	43.9	0	0	0	0	116.6
38	C	27.2	Very low	32.1	Very low	137 Å²	137	145.3 Å²	145.3	93%	0.926	79%	0.79	S	S	*	*			trans	-136.2	135.3	148.5	-109.2	0	0	0	0	111.2
39	H	28.1	Very low	33.1	Very low	170 Å²	170	150.2 Å²	150.2	79%	0.787	80%	0.798	S	S	*	*			trans	-74.7	157.6	-171.9	-76.5	-89.2	0	0	0	114.2
40	S	31.7	Very low	33.8	Very low	108 Å²	108	148.3 Å²	148.3	76%	0.755	79%	0.788	S	S	*	*			trans	-20.8	123.4	163.9	52.9	0	0	0	0	116.8
41	S	30.3	Very low	34.6	Very low	118 Å²	118	143.4 Å²	143.4	83%	0.825	76%	0.762	S	S	*	*			trans	-90.6	105.2	165	59.4	0	0	0	0	110.8
42	T	31.4	Very low	35.7	Very low	130 Å²	130	142.1 Å²	142.1	80%	0.798	76%	0.76	S	S	*	*			trans	-79.6	113.6	154.5	45.2	0	0	0	0	107.7	E44	T42-E44 PolarHBondContact O-N 3.32Å
43	S	34.6	Very low	37	Very low	116 Å²	116	136 Å²	136	81%	0.811	74%	0.743	S	S	*	*			trans	-82.2	98	176.4	54.3	0	0	0	0	110.2
44	E	34.2	Very low	38	Very low	171 Å²	171	127.7 Å²	127.7	80%	0.799	73%	0.732	S	S	*	*			trans	-75.9	140.6	158.8	-72.5	-166.1	159	0	0	109.7	T42 R46	T42-E44 PolarHBondContact O-N 3.32Å; E44-R46 PolarHBondContact O-N 3.12Å; E44-R46 VanDerWaalsContact O-N 3.12Å
45	P	40.5	Very low	39.6	Very low	126 Å²	126	124 Å²	124	82%	0.818	71%	0.713	S	S	*	*			trans	-71.6	110.2	175.3	29.1	-29.5	0	0	0	108.4	C47	P45-C47 PolarHBondContact O-N 2.99Å
46	R	34.1	Very low	40.5	Very low	240 Å²	240	121.2 Å²	121.2	91%	0.906	71%	0.709	S	S	*	*			trans	-64.8	105.4	168.7	-74.8	-177.8	175.8	-176.5	-0.9	108.2	E44 S48	E44-R46 PolarHBondContact O-N 3.12Å; E44-R46 VanDerWaalsContact O-N 3.12Å; R46-S48 PolarHBondContact O-N 3.02Å
47	C	39.3	Very low	41.3	Very low	124 Å²	124	118.6 Å²	118.6	84%	0.838	69%	0.694	S	S	*	*			trans	-62.6	100.6	161.8	-164.6	0	0	0	0	107.1	P45 R49	P45-C47 PolarHBondContact O-N 2.99Å; C47-R49 PolarHBondContact O-N 2.75Å
48	S	42.9	Very low	42	Very low	72 Å²	72	118.4 Å²	118.4	50%	0.503	69%	0.694	S	S	.	*			trans	-64.6	132	173	50.5	0	0	0	0	108.3	R46 F50 D51	R46-S48 PolarHBondContact O-N 3.02Å; S48-F50 PolarHBondContact O-N 3.44Å; S48-D51 PolarHBondContact O-N 3.48Å
49	R	48.9	Very low	43.3	Very low	244 Å²	244	113 Å²	113	92%	0.921	66%	0.659	S	S	*	*	S	Bend	trans	-54.8	2.9	179.6	-119.2	178.1	-168.7	153.7	1.6	116.1	C47	C47-R49 PolarHBondContact O-N 2.75Å
50	F	45	Very low	44.8	Very low	135 Å²	135	108.3 Å²	108.3	59%	0.592	64%	0.643	S	S	*	*			trans	-129.1	43	-171.5	-65	-75.4	0	0	0	111.6	S48 A59 F64	S48-F50 PolarHBondContact O-N 3.44Å; F50-A59 HydrophobicContact CB-CB 4.33Å; F50-A59 VanDerWaalsContact O-CB 3.29Å; F50-A59 WeakPolarHBondContact O-CB 3.29Å; F50-A59 PolarHBondContact O-N 3.28Å; F50-A59 VanDerWaalsContact O-N 3.12Å; F50-F64 HydrophobicContact CD1-CZ 4.36Å
51	D	47.3	Very low	46.2	Very low	40 Å²	40	112.3 Å²	112.3	21%	0.214	64%	0.642	C	S	.	*			trans	-127.7	74.8	173	-167.7	-2.9	0	0	0	108.9	S48 D53 G54 S55 G56	S48-D51 PolarHBondContact O-N 3.48Å; D51-D53 PolarHBondContact O-N 3.4Å; D51-G54 PolarHBondContact O-N 3.29Å; D51-G54 WeakPolarHBondContact OD1-CA 3.38Å; D51-G54 PolarHBondContact OD1-N 3.28Å; D51-S55 PolarHBondContact OD1-N 3.35Å; D51-S55 PolarHBondContact OD2-N 2.81Å; D51-G56 VanDerWaalsContact OD2-CA 3.23Å; D51-G56 WeakPolarHBondContact OD2-CA 3.4Å; D51-G56 PolarHBondContact OD2-N 2.97Å
52	P	51.7	Low	47.5	Very low	94 Å²	94	108.3 Å²	108.3	61%	0.61	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-16.3	-172.7	27	-33.1	0	0	0	113.4	A59	P52-A59 HydrophobicContact CG-CB 4.24Å
53	D	56.2	Low	49	Very low	84 Å²	84	104.8 Å²	104.8	45%	0.449	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113.2	3.2	179.1	50.9	16.9	0	0	0	114	D51 S55	D51-D53 PolarHBondContact O-N 3.4Å; D53-S55 PolarHBondContact O-N 2.72Å; D53-S55 WeakPolarHBondContact OD1-CB 3.23Å; D53-S55 PolarHBondContact OD1-OG 3.48Å
54	G	49.1	Very low	50.2	Low	66 Å²	66	104.3 Å²	104.3	68%	0.68	57%	0.571	S	S	*	*	S	Bend	trans	63.1	22.7	176.9	0	0	0	0	0	113.1	D51 G56	D51-G54 PolarHBondContact O-N 3.29Å; D51-G54 WeakPolarHBondContact OD1-CA 3.38Å; D51-G54 PolarHBondContact OD1-N 3.28Å; G54-G56 VanDerWaalsContact C-N 3.34Å
55	S	61.5	Low	51.4	Low	63 Å²	63	97 Å²	97	44%	0.441	54%	0.54	S	S	.	.	S	Bend	trans	-86.4	-7.2	-172.3	66.4	0	0	0	0	112.7	D51 D53 S57	D51-S55 PolarHBondContact OD1-N 3.35Å; D51-S55 PolarHBondContact OD2-N 2.81Å; D53-S55 PolarHBondContact O-N 2.72Å; D53-S55 WeakPolarHBondContact OD1-CB 3.23Å; D53-S55 PolarHBondContact OD1-OG 3.48Å; S55-S57 PolarHBondContact O-N 3.22Å; S55-S57 WeakPolarHBondContact OG-CB 3.39Å; S55-S57 PolarHBondContact OG-N 3.02Å; S55-S57 PolarHBondContact OG-OG 3.06Å
56	G	50.2	Low	52.3	Low	68 Å²	68	95.7 Å²	95.7	70%	0.701	53%	0.526	S	S	*	.	S	Bend	trans	70.4	6.9	-171.5	0	0	0	0	0	113.3	D51 G54	D51-G56 VanDerWaalsContact OD2-CA 3.23Å; D51-G56 WeakPolarHBondContact OD2-CA 3.4Å; D51-G56 PolarHBondContact OD2-N 2.97Å; G54-G56 VanDerWaalsContact C-N 3.34Å
57	S	48.3	Very low	53.7	Low	67 Å²	67	85.9 Å²	85.9	47%	0.469	49%	0.489	S	S	.	.	S	Bend	trans	-96.5	134.3	178.9	-53.3	0	0	0	0	109.4	S55 A59	S55-S57 PolarHBondContact O-N 3.22Å; S55-S57 WeakPolarHBondContact OG-CB 3.39Å; S55-S57 PolarHBondContact OG-N 3.02Å; S55-S57 PolarHBondContact OG-OG 3.06Å; S57-A59 PolarHBondContact O-N 3.41Å
58	P	49.6	Very low	54.5	Low	114 Å²	114	87 Å²	87	74%	0.74	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-56.5	130.3	176.2	-20	29.8	0	0	0	110.5	T60	P58-T60 PolarHBondContact O-N 3.12Å
59	A	53.5	Low	55.5	Low	23 Å²	23	85.3 Å²	85.3	19%	0.19	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-55.3	116.6	172.5	0	0	0	0	0	110.2	F50 P52 S57 F64	F50-A59 HydrophobicContact CB-CB 4.33Å; F50-A59 VanDerWaalsContact O-CB 3.29Å; F50-A59 WeakPolarHBondContact O-CB 3.29Å; F50-A59 PolarHBondContact O-N 3.28Å; F50-A59 VanDerWaalsContact O-N 3.12Å; P52-A59 HydrophobicContact CG-CB 4.24Å; S57-A59 PolarHBondContact O-N 3.41Å; A59-F64 HydrophobicContact CB-CE2 3.93Å; A59-F64 HydrophobicContact CB-CZ 4.26Å
60	T	60.4	Low	56.2	Low	71 Å²	71	78.1 Å²	78.1	44%	0.436	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-76.8	152.3	171	54.8	0	0	0	0	109.5	P58 D62 N63	P58-T60 PolarHBondContact O-N 3.12Å; T60-D62 PolarHBondContact O-N 3.24Å; T60-D62 VanDerWaalsContact O-N 3.11Å; T60-N63 WeakPolarHBondContact O-CB 2.99Å; T60-N63 PolarHBondContact O-N 3.48Å
61	W	60.5	Low	57.2	Low	193 Å²	193	73 Å²	73	73%	0.731	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-56.7	-26.6	177.7	-69.3	103.7	0	0	0	113	N63 F64 I66	W61-N63 PolarHBondContact O-N 3.31Å; W61-F64 HydrophobicContact CE3-CD2 4.48Å; W61-F64 WeakPolarHBondContact O-CB 2.92Å; W61-F64 PolarHBondContact O-N 3.03Å; W61-I66 HydrophobicContact CE3-CD1 3.82Å; W61-I66 HydrophobicContact CZ3-CD1 4.28Å; W61-I66 PolarHBondContact O-N 2.71Å
62	D	59.4	Low	58.3	Low	33 Å²	33	79 Å²	79	18%	0.176	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-57.5	-30.7	172.4	-60.6	-63.4	0	0	0	113.5	T60 F64 G65 W67 A288 K351	T60-D62 PolarHBondContact O-N 3.24Å; T60-D62 VanDerWaalsContact O-N 3.11Å; D62-F64 PolarHBondContact O-N 2.93Å; D62-G65 PolarHBondContact O-N 3.11Å; D62-W67 PolarHBondContact O-NE1 2.9Å; D62-A288 HydrophobicContact CB-CB 3.75Å; D62-K351 IonicContact OD1-NZ 3.03Å; D62-K351 PolarHBondContact OD1-NZ 2.71Å; D62-K351 IonicContact OD2-NZ 2.74Å; D62-K351 PolarHBondContact OD2-NZ 2.99Å
63	N	61.5	Low	59.7	Low	56 Å²	56	76.2 Å²	76.2	30%	0.299	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-70.7	-18.4	177.6	-75	-19.1	0	0	0	112.6	T60 W61	T60-N63 WeakPolarHBondContact O-CB 2.99Å; T60-N63 PolarHBondContact O-N 3.48Å; W61-N63 PolarHBondContact O-N 3.31Å
64	F	60.9	Low	61.1	Low	107 Å²	107	76 Å²	76	47%	0.469	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-93.7	7.2	176.7	-63	-79.2	0	0	0	112.8	F50 A59 W61 D62 I66	F50-F64 HydrophobicContact CD1-CZ 4.36Å; A59-F64 HydrophobicContact CB-CE2 3.93Å; A59-F64 HydrophobicContact CB-CZ 4.26Å; W61-F64 HydrophobicContact CE3-CD2 4.48Å; W61-F64 WeakPolarHBondContact O-CB 2.92Å; W61-F64 PolarHBondContact O-N 3.03Å; D62-F64 PolarHBondContact O-N 2.93Å; F64-I66 VanDerWaalsContact C-N 3.26Å; F64-I66 PolarHBondContact O-N 3.26Å
65	G	58.7	Low	62.9	Low	16 Å²	16	76.4 Å²	76.4	17%	0.165	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	14.5	-178.6	0	0	0	0	0	113.5	D62 W67	D62-G65 PolarHBondContact O-N 3.11Å; G65-W67 VanDerWaalsContact C-N 3.33Å; G65-W67 PolarHBondContact O-N 2.91Å
66	I	60	Low	64.1	Low	100 Å²	100	75.8 Å²	75.8	51%	0.513	42%	0.415	S	S	.	.			trans	-92.2	78.4	168.6	-50.1	-178.5	0	0	0	106.1	W61 F64	W61-I66 HydrophobicContact CE3-CD1 3.82Å; W61-I66 HydrophobicContact CZ3-CD1 4.28Å; W61-I66 PolarHBondContact O-N 2.71Å; F64-I66 VanDerWaalsContact C-N 3.26Å; F64-I66 PolarHBondContact O-N 3.26Å
67	W	62.4	Low	66	Low	33 Å²	33	78.2 Å²	78.2	13%	0.125	41%	0.411	C	S	.	.			trans	-79	125.2	172.3	-56.3	-53.2	0	0	0	107.5	D62 G65 N69 P86 P88 H287	D62-W67 PolarHBondContact O-NE1 2.9Å; G65-W67 VanDerWaalsContact C-N 3.33Å; G65-W67 PolarHBondContact O-N 2.91Å; W67-N69 HydrophobicContact CB-CB 4.19Å; W67-N69 VanDerWaalsContact CB-ND2 3.34Å; W67-N69 WeakPolarHBondContact CB-ND2 3.35Å; W67-N69 WeakPolarHBondContact CB-OD1 3.25Å; W67-N69 PolarHBondContact O-N 3.34Å; W67-N69 VanDerWaalsContact O-N 3.12Å; W67-N69 PolarHBondContact O-OD1 3.08Å; W67-P86 HydrophobicContact CH2-CB 4.08Å; W67-P86 HydrophobicContact CZ2-CB 4.22Å; W67-P86 WeakPolarHBondContact CZ2-O 3.48Å; W67-P88 HydrophobicContact CE3-CB 4.16Å; W67-P88 HydrophobicContact CE3-CG 4.07Å; W67-P88 HydrophobicContact CH2-CB 3.87Å; W67-P88 HydrophobicContact CH2-CG 3.51Å; W67-P88 HydrophobicContact CZ2-CG 4.22Å; W67-P88 HydrophobicContact CZ3-CB 3.39Å; W67-P88 HydrophobicContact CZ3-CG 3.42Å; W67-P88 VanDerWaalsContact CZ3-CG 3.42Å; W67-H287 HydrophobicContact CZ2-CB 3.79Å
68	D	56.2	Low	68	Low	148 Å²	148	79.8 Å²	79.8	79%	0.791	42%	0.42	S	S	*	.			trans	-84.4	74.8	169.8	-172.8	11.5	0	0	0	107.9
69	N	64.5	Low	69.9	Low	37 Å²	37	75.1 Å²	75.1	20%	0.198	39%	0.389	C	S	.	.	S	Bend	trans	-128.5	161.3	-171.4	56.8	-11.8	0	0	0	110	W67 I71 G347 W349	W67-N69 HydrophobicContact CB-CB 4.19Å; W67-N69 VanDerWaalsContact CB-ND2 3.34Å; W67-N69 WeakPolarHBondContact CB-ND2 3.35Å; W67-N69 WeakPolarHBondContact CB-OD1 3.25Å; W67-N69 PolarHBondContact O-N 3.34Å; W67-N69 VanDerWaalsContact O-N 3.12Å; W67-N69 PolarHBondContact O-OD1 3.08Å; N69-I71 PolarHBondContact ND2-O 3.12Å; N69-I71 PolarHBondContact O-N 2.81Å; N69-I71 PolarHBondContact OD1-O 3.19Å; N69-G347 VanDerWaalsContact CB-O 3.28Å; N69-G347 WeakPolarHBondContact CB-O 3.44Å; N69-G347 VanDerWaalsContact CG-O 3.31Å; N69-G347 PolarHBondContact ND2-O 3.11Å; N69-W349 WeakPolarHBondContact CB-O 3.35Å
70	R	63.7	Low	71.6	Confident	92 Å²	92	74.6 Å²	74.6	35%	0.347	39%	0.385	S	S	.	.	S	Bend	trans	-78.9	4.1	-177	-52.5	-178.9	-154.3	161.1	7.6	113.4	C316 H317 W349	R70-C316 PolarHBondContact NH1-O 2.75Å; R70-H317 PolarHBondContact NH1-O 2.72Å; R70-W349 PolarHBondContact N-O 2.81Å
71	I	64.9	Low	73	Confident	27 Å²	27	77.8 Å²	77.8	14%	0.138	40%	0.398	C	S	.	.			trans	-123.6	108.9	-168.7	-65.3	-178.6	0	0	0	107.6	N69 E73 P345 W349	N69-I71 PolarHBondContact ND2-O 3.12Å; N69-I71 PolarHBondContact O-N 2.81Å; N69-I71 PolarHBondContact OD1-O 3.19Å; I71-E73 HydrophobicContact CG2-CB 4.23Å; I71-E73 HydrophobicContact CG2-CG 3.26Å; I71-E73 PolarHBondContact O-N 3.18Å; I71-P345 HydrophobicContact CD1-CB 3.36Å; I71-P345 HydrophobicContact CD1-CG 3.85Å; I71-W349 HydrophobicContact CD1-CB 3.6Å; I71-W349 HydrophobicContact CD1-CD2 4.48Å; I71-W349 HydrophobicContact CD1-CG 3.65Å; I71-W349 HydrophobicContact CG1-CB 4.28Å; I71-W349 HydrophobicContact CG1-CG 4.29Å
72	D	71.4	Confident	74.4	Confident	167 Å²	167	75 Å²	75	89%	0.893	39%	0.39	S	S	*	.			trans	-96.4	85.2	178.6	-168.2	15.3	0	0	0	109.3
73	E	80.8	Confident	75.8	Confident	35 Å²	35	76.4 Å²	76.4	16%	0.164	39%	0.394	C	S	.	.			trans	-111.3	142	-176.4	-70.3	-71	167	0	0	111.9	I71 K89 S91 N94	I71-E73 HydrophobicContact CG2-CB 4.23Å; I71-E73 HydrophobicContact CG2-CG 3.26Å; I71-E73 PolarHBondContact O-N 3.18Å; E73-K89 VanDerWaalsContact CB-O 3.26Å; E73-K89 WeakPolarHBondContact CB-O 3.35Å; E73-S91 WeakPolarHBondContact OE1-CB 3.37Å; E73-N94 PolarHBondContact OE1-ND2 3.35Å
74	P	84.8	Confident	77	Confident	81 Å²	81	76.9 Å²	76.9	53%	0.526	41%	0.411	S	S	.	.			trans	-66.8	150.8	179.9	29	-34	0	0	0	111.4	K89	P74-K89 HydrophobicContact CG-CB 4.11Å; P74-K89 HydrophobicContact CG-CD 4.14Å; P74-K89 VanDerWaalsContact O-CB 3.25Å; P74-K89 WeakPolarHBondContact O-CB 3.4Å; P74-K89 PolarHBondContact O-N 3.48Å
75	I	87	Confident	78.2	Confident	74 Å²	74	76.7 Å²	76.7	38%	0.379	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-76.8	132.2	177.5	-64.6	168.4	0	0	0	110.2	L77 S80 P86 I87	I75-L77 PolarHBondContact O-N 2.63Å; I75-L77 VanDerWaalsContact O-N 3.07Å; I75-S80 WeakPolarHBondContact CG2-OG 3.49Å; I75-P86 HydrophobicContact CD1-CB 4.18Å; I75-I87 CarbonylContact C-O 3.57Å; I75-I87 WeakPolarHBondContact CA-O 3.31Å
76	L	88.2	Confident	79.5	Confident	49 Å²	49	77.8 Å²	77.8	26%	0.257	42%	0.415	S	S	.	.			trans	-73.1	96.4	171	-63.4	179.7	0	0	0	109.8	P79 S80 I87 K89	L76-P79 HydrophobicContact CB-CB 4.17Å; L76-P79 HydrophobicContact CB-CG 3.83Å; L76-P79 HydrophobicContact CD1-CG 4.29Å; L76-P79 WeakPolarHBondContact O-CD 3.3Å; L76-S80 WeakPolarHBondContact O-CB 3.4Å; L76-S80 PolarHBondContact O-N 2.77Å; L76-S80 PolarHBondContact O-OG 3.34Å; L76-I87 HydrophobicContact CD1-CG2 4.22Å; L76-I87 PolarHBondContact N-O 3.37Å; L76-K89 HydrophobicContact CD2-CB 3.79Å; L76-K89 HydrophobicContact CD2-CG 3.97Å; L76-K89 HydrophobicContact CG-CB 4.07Å
77	L	88.6	Confident	80.9	Confident	119 Å²	119	73 Å²	73	62%	0.623	39%	0.39	S	S	*	.	H	α-helix	trans	-58.6	-50.4	-175.1	-65.8	174.8	0	0	0	113.8	I75 S80 I81	I75-L77 PolarHBondContact O-N 2.63Å; I75-L77 VanDerWaalsContact O-N 3.07Å; L77-S80 PolarHBondContact O-N 2.81Å; L77-S80 VanDerWaalsContact O-N 3.16Å; L77-I81 VanDerWaalsContact O-CG1 3.27Å; L77-I81 WeakPolarHBondContact O-CG1 3.38Å; L77-I81 PolarHBondContact O-N 3.24Å
78	P	90.3	Very high	82.1	Confident	100 Å²	100	71.7 Å²	71.7	65%	0.649	39%	0.386	S	S	*	.	H	α-helix	trans	-62.9	-47.4	-176.6	-14.9	27	0	0	0	112.9	S80 I81 K82	P78-S80 PolarHBondContact O-N 2.97Å; P78-I81 PolarHBondContact O-N 3.35Å; P78-K82 WeakPolarHBondContact O-CB 3.4Å; P78-K82 PolarHBondContact O-N 3.33Å
79	P	90.1	Very high	83.7	Confident	16 Å²	16	68.4 Å²	68.4	10%	0.104	37%	0.365	C	S	.	.	H	α-helix	trans	-57	-44.9	169.1	-30.5	39.7	0	0	0	113.4	L76 I81 K82 Y83 I87 D197	L76-P79 HydrophobicContact CB-CB 4.17Å; L76-P79 HydrophobicContact CB-CG 3.83Å; L76-P79 HydrophobicContact CD1-CG 4.29Å; L76-P79 WeakPolarHBondContact O-CD 3.3Å; P79-I81 VanDerWaalsContact C-N 3.31Å; P79-I81 PolarHBondContact O-N 3.49Å; P79-K82 WeakPolarHBondContact O-CB 3.38Å; P79-K82 PolarHBondContact O-N 3.47Å; P79-K82 VanDerWaalsContact O-N 3.14Å; P79-Y83 HydrophobicContact CB-CD2 4.38Å; P79-Y83 WeakPolarHBondContact O-CD2 3.3Å; P79-Y83 PolarHBondContact O-N 2.9Å; P79-I87 HydrophobicContact CB-CD1 3.77Å; P79-D197 HydrophobicContact CB-CB 4.06Å; P79-D197 WeakPolarHBondContact CB-O 3.35Å; P79-D197 HydrophobicContact CG-CB 4.08Å
80	S	89.4	Confident	84.9	Confident	13 Å²	13	67.3 Å²	67.3	9%	0.091	36%	0.359	C	S	.	.	H	α-helix	trans	-63.2	-38.8	-176.3	-61	0	0	0	0	112.4	I75 L76 L77 P78 G84 K85 I87	I75-S80 WeakPolarHBondContact CG2-OG 3.49Å; L76-S80 WeakPolarHBondContact O-CB 3.4Å; L76-S80 PolarHBondContact O-N 2.77Å; L76-S80 PolarHBondContact O-OG 3.34Å; L77-S80 PolarHBondContact O-N 2.81Å; L77-S80 VanDerWaalsContact O-N 3.16Å; P78-S80 PolarHBondContact O-N 2.97Å; S80-G84 WeakPolarHBondContact O-CA 3.37Å; S80-G84 PolarHBondContact O-N 3.27Å; S80-K85 WeakPolarHBondContact CA-O 3.27Å; S80-K85 VanDerWaalsContact CB-O 3.3Å; S80-K85 WeakPolarHBondContact CB-O 3.32Å; S80-K85 PolarHBondContact O-N 3.14Å; S80-K85 PolarHBondContact OG-O 3.47Å; S80-I87 PolarHBondContact OG-N 2.91Å
81	I	90.1	Very high	86.2	Confident	138 Å²	138	63.1 Å²	63.1	71%	0.708	34%	0.343	S	S	*	.	H	α-helix	trans	-66.7	-46.7	173.6	-65.8	164	0	0	0	110.2	L77 P78 P79 Y83 G84	L77-I81 VanDerWaalsContact O-CG1 3.27Å; L77-I81 WeakPolarHBondContact O-CG1 3.38Å; L77-I81 PolarHBondContact O-N 3.24Å; P78-I81 PolarHBondContact O-N 3.35Å; P79-I81 VanDerWaalsContact C-N 3.31Å; P79-I81 PolarHBondContact O-N 3.49Å; I81-Y83 VanDerWaalsContact C-N 3.32Å; I81-Y83 PolarHBondContact O-N 3.44Å; I81-G84 PolarHBondContact O-N 3.01Å
82	K	90.3	Very high	87.6	Confident	133 Å²	133	63.5 Å²	63.5	58%	0.578	35%	0.346	S	S	*	.	H	α-helix	trans	-59.2	-40.2	-179.7	178.1	-178.3	173.8	-172.4	0	112.6	P78 P79 D197	P78-K82 WeakPolarHBondContact O-CB 3.4Å; P78-K82 PolarHBondContact O-N 3.33Å; P79-K82 WeakPolarHBondContact O-CB 3.38Å; P79-K82 PolarHBondContact O-N 3.47Å; P79-K82 VanDerWaalsContact O-N 3.14Å; K82-D197 IonicContact NZ-OD2 3.13Å; K82-D197 PolarHBondContact NZ-OD2 3.23Å
83	Y	88.3	Confident	88.7	Confident	64 Å²	64	62.3 Å²	62.3	25%	0.251	33%	0.334	S	S	.	.	H	α-helix	trans	-100.6	-4	-176.2	-63.8	-69.9	0	0	0	114.3	P79 I81 K85 I87 D197 I199	P79-Y83 HydrophobicContact CB-CD2 4.38Å; P79-Y83 WeakPolarHBondContact O-CD2 3.3Å; P79-Y83 PolarHBondContact O-N 2.9Å; I81-Y83 VanDerWaalsContact C-N 3.32Å; I81-Y83 PolarHBondContact O-N 3.44Å; Y83-K85 PolarHBondContact O-N 2.89Å; Y83-I87 HydrophobicContact CD2-CD1 3.61Å; Y83-I87 HydrophobicContact CE2-CD1 4.49Å; Y83-I87 HydrophobicContact CG-CD1 4.24Å; Y83-D197 HydrophobicContact CE2-CB 3.66Å; Y83-D197 WeakPolarHBondContact CE2-OD2 3.17Å; Y83-D197 PolarHBondContact OH-OD2 3.37Å; Y83-I199 HydrophobicContact CD2-CG2 3.87Å; Y83-I199 HydrophobicContact CE1-CG2 4.39Å; Y83-I199 HydrophobicContact CE2-CG2 3.63Å; Y83-I199 HydrophobicContact CG-CG2 4.38Å
84	G	85.9	Confident	89.3	Confident	65 Å²	65	63.1 Å²	63.1	67%	0.67	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	23.1	178.1	0	0	0	0	0	114.4	S80 I81	S80-G84 WeakPolarHBondContact O-CA 3.37Å; S80-G84 PolarHBondContact O-N 3.27Å; I81-G84 PolarHBondContact O-N 3.01Å
85	K	86.3	Confident	89.9	Confident	104 Å²	104	59.9 Å²	59.9	45%	0.452	32%	0.319	S	S	.	.	S	Bend	trans	-143.3	145.1	179.1	-66.4	-167.1	177	-163.2	0	109.9	S80 Y83 I87	S80-K85 WeakPolarHBondContact CA-O 3.27Å; S80-K85 VanDerWaalsContact CB-O 3.3Å; S80-K85 WeakPolarHBondContact CB-O 3.32Å; S80-K85 PolarHBondContact O-N 3.14Å; S80-K85 PolarHBondContact OG-O 3.47Å; Y83-K85 PolarHBondContact O-N 2.89Å; K85-I87 PolarHBondContact O-N 3.35Å
86	P	85.9	Confident	90.4	Very high	38 Å²	38	56.4 Å²	56.4	25%	0.247	30%	0.301	C	S	.	.			trans	-58.5	126.3	171.7	-24.1	35.7	0	0	0	110.9	W67 I75	W67-P86 HydrophobicContact CH2-CB 4.08Å; W67-P86 HydrophobicContact CZ2-CB 4.22Å; W67-P86 WeakPolarHBondContact CZ2-O 3.48Å; I75-P86 HydrophobicContact CD1-CB 4.18Å
87	I	89.2	Confident	90.9	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	30%	0.299	C	S	.	.			trans	-118.8	119	175.6	-65.6	169	0	0	0	107.4	I75 L76 P79 S80 Y83 K85 I199	I75-I87 CarbonylContact C-O 3.57Å; I75-I87 WeakPolarHBondContact CA-O 3.31Å; L76-I87 HydrophobicContact CD1-CG2 4.22Å; L76-I87 PolarHBondContact N-O 3.37Å; P79-I87 HydrophobicContact CB-CD1 3.77Å; S80-I87 PolarHBondContact OG-N 2.91Å; Y83-I87 HydrophobicContact CD2-CD1 3.61Å; Y83-I87 HydrophobicContact CE2-CD1 4.49Å; Y83-I87 HydrophobicContact CG-CD1 4.24Å; K85-I87 PolarHBondContact O-N 3.35Å; I87-I199 HydrophobicContact CD1-CB 4.02Å; I87-I199 HydrophobicContact CD1-CD1 3.89Å; I87-I199 HydrophobicContact CD1-CG2 4.15Å; I87-I199 HydrophobicContact CG1-CD1 4.21Å
88	P	89	Confident	91.4	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.032	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-69.3	148.7	175.2	20.6	-12.6	0	0	0	109.7	W67 I90 H287	W67-P88 HydrophobicContact CE3-CB 4.16Å; W67-P88 HydrophobicContact CE3-CG 4.07Å; W67-P88 HydrophobicContact CH2-CB 3.87Å; W67-P88 HydrophobicContact CH2-CG 3.51Å; W67-P88 HydrophobicContact CZ2-CG 4.22Å; W67-P88 HydrophobicContact CZ3-CB 3.39Å; W67-P88 HydrophobicContact CZ3-CG 3.42Å; W67-P88 VanDerWaalsContact CZ3-CG 3.42Å; P88-I90 HydrophobicContact CG-CD1 4.44Å; P88-H287 WeakPolarHBondContact CD-CD2 3.44Å; P88-H287 HydrophobicContact CG-CB 4.16Å
89	K	88.7	Confident	91.8	Very high	79 Å²	79	47.4 Å²	47.4	34%	0.343	25%	0.254	S	S	.	.			trans	-64.2	135.7	160	-174.1	-178.1	177.5	-155	0	107.9	E73 P74 L76	E73-K89 VanDerWaalsContact CB-O 3.26Å; E73-K89 WeakPolarHBondContact CB-O 3.35Å; P74-K89 HydrophobicContact CG-CB 4.11Å; P74-K89 HydrophobicContact CG-CD 4.14Å; P74-K89 VanDerWaalsContact O-CB 3.25Å; P74-K89 WeakPolarHBondContact O-CB 3.4Å; P74-K89 PolarHBondContact O-N 3.48Å; L76-K89 HydrophobicContact CD2-CB 3.79Å; L76-K89 HydrophobicContact CD2-CG 3.97Å; L76-K89 HydrophobicContact CG-CB 4.07Å
90	I	91	Very high	92.2	Very high	14 Å²	14	49.2 Å²	49.2	7%	0.072	26%	0.261	C	S	.	.			trans	-97.7	113.6	169.8	-55.8	-52.7	0	0	0	106.4	P88 L121 L195 V344 F346	P88-I90 HydrophobicContact CG-CD1 4.44Å; I90-L121 HydrophobicContact CB-CD1 3.86Å; I90-L121 HydrophobicContact CG2-CD1 4.16Å; I90-L195 HydrophobicContact CG1-CD2 4.02Å; I90-V344 HydrophobicContact CG2-CG1 4.18Å; I90-F346 HydrophobicContact CD1-CD1 3.93Å; I90-F346 HydrophobicContact CG1-CD1 4.21Å
91	S	90.5	Very high	92.5	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.028	28%	0.275	C	S	.	.			trans	-93.8	131.3	-177.1	-126.8	0	0	0	0	111.4	E73 E93 N94	E73-S91 WeakPolarHBondContact OE1-CB 3.37Å; S91-E93 VanDerWaalsContact C-N 3.28Å; S91-E93 WeakPolarHBondContact CB-OE1 3.5Å; S91-E93 VanDerWaalsContact CB-OE2 3.29Å; S91-E93 WeakPolarHBondContact CB-OE2 3.42Å; S91-E93 PolarHBondContact O-N 3.29Å; S91-E93 PolarHBondContact OG-OE1 2.71Å; S91-E93 PolarHBondContact OG-OE2 2.95Å; S91-N94 PolarHBondContact O-N 3.22Å
92	L	94.6	Very high	92.8	Very high	35 Å²	35	46.8 Å²	46.8	18%	0.183	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-72.8	-22.9	-173.6	-63.5	179.6	0	0	0	112.1	N94 V95 F113 Q115 L121 F123	L92-N94 PolarHBondContact O-N 3.04Å; L92-V95 HydrophobicContact CD2-CG2 4.21Å; L92-V95 WeakPolarHBondContact O-CB 3.49Å; L92-V95 WeakPolarHBondContact O-CG2 3.26Å; L92-V95 PolarHBondContact O-N 3.33Å; L92-V95 VanDerWaalsContact O-N 3.07Å; L92-F113 HydrophobicContact CB-CD2 4.35Å; L92-F113 HydrophobicContact CB-CE2 4.48Å; L92-F113 HydrophobicContact CD2-CD2 4.32Å; L92-Q115 HydrophobicContact CD1-CB 3.97Å; L92-L121 HydrophobicContact CD2-CD1 4.41Å; L92-L121 HydrophobicContact CD2-CD2 4.35Å; L92-F123 HydrophobicContact CD2-CE1 3.71Å; L92-F123 HydrophobicContact CD2-CZ 4.03Å
93	E	93.3	Very high	93	Very high	141 Å²	141	47.5 Å²	47.5	66%	0.659	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-62.6	-22.5	173.5	61.6	-91.1	-154.2	0	0	113.5	S91	S91-E93 VanDerWaalsContact C-N 3.28Å; S91-E93 WeakPolarHBondContact CB-OE1 3.5Å; S91-E93 VanDerWaalsContact CB-OE2 3.29Å; S91-E93 WeakPolarHBondContact CB-OE2 3.42Å; S91-E93 PolarHBondContact O-N 3.29Å; S91-E93 PolarHBondContact OG-OE1 2.71Å; S91-E93 PolarHBondContact OG-OE2 2.95Å
94	N	94	Very high	93.3	Very high	53 Å²	53	47.1 Å²	47.1	28%	0.283	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-91.8	-2.3	178.2	-62	-33.6	0	0	0	112.1	E73 S91 L92 G96 P319 P345	E73-N94 PolarHBondContact OE1-ND2 3.35Å; S91-N94 PolarHBondContact O-N 3.22Å; L92-N94 PolarHBondContact O-N 3.04Å; N94-G96 PolarHBondContact O-N 3.27Å; N94-P319 VanDerWaalsContact O-CB 3.27Å; N94-P319 WeakPolarHBondContact O-CB 3.33Å; N94-P319 WeakPolarHBondContact O-CG 3.25Å; N94-P345 HydrophobicContact CB-CG 3.84Å
95	V	97.4	Very high	93.7	Very high	13 Å²	13	54 Å²	54	8%	0.079	27%	0.267	C	S	.	.			trans	-70.7	126.8	175.5	177.2	0	0	0	0	108.7	L92 F113 F123 V342 V344	L92-V95 HydrophobicContact CD2-CG2 4.21Å; L92-V95 WeakPolarHBondContact O-CB 3.49Å; L92-V95 WeakPolarHBondContact O-CG2 3.26Å; L92-V95 PolarHBondContact O-N 3.33Å; L92-V95 VanDerWaalsContact O-N 3.07Å; V95-F113 HydrophobicContact CB-CD2 4.2Å; V95-F113 HydrophobicContact CB-CE1 4.46Å; V95-F113 HydrophobicContact CB-CE2 3.96Å; V95-F113 HydrophobicContact CB-CZ 4.1Å; V95-F113 HydrophobicContact CG1-CD1 3.86Å; V95-F113 HydrophobicContact CG1-CD2 4.18Å; V95-F113 HydrophobicContact CG1-CE1 3.84Å; V95-F113 HydrophobicContact CG1-CE2 4.16Å; V95-F113 HydrophobicContact CG1-CG 4.04Å; V95-F113 HydrophobicContact CG1-CZ 3.99Å; V95-F113 HydrophobicContact CG2-CD2 4.36Å; V95-F123 HydrophobicContact CG2-CE1 4.01Å; V95-V342 HydrophobicContact CG1-CG1 3.78Å; V95-V344 HydrophobicContact CG1-CG2 4.24Å; V95-V344 HydrophobicContact CG2-CG1 4.34Å; V95-V344 HydrophobicContact CG2-CG2 4.39Å
96	G	98.2	Very high	94.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	139.2	174.2	0	0	0	0	0	111.1	N94 P319 V342 V343	N94-G96 PolarHBondContact O-N 3.27Å; G96-P319 WeakPolarHBondContact CA-O 3.41Å; G96-V342 CarbonylContact O-C 3.56Å; G96-V342 WeakPolarHBondContact O-CA 3.35Å; G96-V343 PolarHBondContact N-O 2.78Å; G96-V343 PolarHBondContact O-N 2.87Å
97	C	98.4	Very high	94.8	Very high	33 Å²	33	55 Å²	55	22%	0.223	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	143.5	175	59.1	0	0	0	0	110.8	F111 F113 H324 A341 V342	C97-F111 HydrophobicContact CB-CD2 3.98Å; C97-F111 HydrophobicContact CB-CE2 3.47Å; C97-F111 VanDerWaalsContact CB-CE2 3.47Å; C97-F111 HydrophobicContact CB-CZ 3.93Å; C97-F111 VanDerWaalsContact SG-CE2 3.5Å; C97-F113 HydrophobicContact CB-CE1 4.32Å; C97-H324 PolarHBondContact O-CE1 3.49Å; C97-A341 VanDerWaalsContact CA-O 3.31Å; C97-A341 WeakPolarHBondContact CA-O 3.36Å; C97-V342 HydrophobicContact CB-CG2 4.29Å
98	A	98.6	Very high	95.3	Very high	5 Å²	5	56.9 Å²	56.9	4%	0.041	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	140.2	172.2	0	0	0	0	0	108.9	A323 T327 T340 A341	A98-A323 HydrophobicContact CB-CB 4.02Å; A98-T327 HydrophobicContact CB-CG2 3.92Å; A98-T340 CarbonylContact O-C 3.5Å; A98-T340 VanDerWaalsContact O-CA 3.3Å; A98-T340 WeakPolarHBondContact O-CA 3.01Å; A98-A341 PolarHBondContact N-O 3.36Å; A98-A341 PolarHBondContact O-N 2.79Å
99	S	98.5	Very high	95.7	Very high	41 Å²	41	56.8 Å²	56.8	29%	0.287	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	121.3	173.4	-177.4	0	0	0	0	108.8	N107 S339 T340	S99-N107 PolarHBondContact OG-ND2 3.29Å; S99-S339 WeakPolarHBondContact CA-O 3.27Å; S99-T340 VanDerWaalsContact CB-OG1 3.29Å; S99-T340 WeakPolarHBondContact CB-OG1 3.47Å; S99-T340 PolarHBondContact OG-OG1 3.07Å
100	Q	97.9	Very high	96.2	Very high	55 Å²	55	55.8 Å²	55.8	26%	0.257	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135	-179.5	-60.7	-157.3	53.2	0	0	110.1	G102 T327 I331 N338 S339	Q100-G102 VanDerWaalsContact C-N 3.29Å; Q100-G102 PolarHBondContact O-N 2.95Å; Q100-T327 PolarHBondContact NE2-OG1 3.27Å; Q100-T327 VanDerWaalsContact NE2-OG1 3.13Å; Q100-I331 HydrophobicContact CB-CD1 3.62Å; Q100-I331 HydrophobicContact CG-CD1 4.06Å; Q100-N338 WeakPolarHBondContact O-CA 3.42Å; Q100-S339 PolarHBondContact N-O 3.04Å; Q100-S339 PolarHBondContact O-N 3.18Å
101	I	97.3	Very high	96.6	Very high	73 Å²	73	57.8 Å²	57.8	37%	0.374	28%	0.282	S	S	.	.			trans	-68.9	-24.3	-176.3	-170.3	167.9	0	0	0	113.6	R104 N107 N338	I101-R104 HydrophobicContact CG1-CB 4.35Å; I101-R104 PolarHBondContact O-N 2.94Å; I101-N107 HydrophobicContact CB-CB 4.2Å; I101-N107 HydrophobicContact CD1-CB 4.33Å; I101-N107 HydrophobicContact CG1-CB 4.03Å; I101-N338 PolarHBondContact O-ND2 2.76Å
102	G	94.6	Very high	97	Very high	27 Å²	27	59.2 Å²	59.2	28%	0.278	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	-137	-174	0	0	0	0	0	111.9	Q100	Q100-G102 VanDerWaalsContact C-N 3.29Å; Q100-G102 PolarHBondContact O-N 2.95Å
103	K	94.5	Very high	97.2	Very high	148 Å²	148	60.1 Å²	60.1	64%	0.643	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	14.1	177.6	-60.6	-174.2	-168.3	165.8	0	112.9	E336	K103-E336 HydrophobicContact CB-CB 4.25Å; K103-E336 HydrophobicContact CD-CB 4.38Å; K103-E336 HydrophobicContact CD-CG 4.06Å; K103-E336 PolarHBondContact N-O 3.46Å; K103-E336 IonicContact NZ-OE1 3.43Å; K103-E336 PolarHBondContact NZ-OE1 2.88Å
104	R	94.6	Very high	97.4	Very high	56 Å²	56	54.3 Å²	54.3	21%	0.211	27%	0.268	C	S	.	.	S	Bend	trans	-74.5	160.9	174.6	-62.5	-63.8	-170.4	-160.2	-9.7	111.3	I101 E106 D337 N338 R370	I101-R104 HydrophobicContact CG1-CB 4.35Å; I101-R104 PolarHBondContact O-N 2.94Å; R104-E106 VanDerWaalsContact CB-O 3.27Å; R104-E106 WeakPolarHBondContact CB-O 3.37Å; R104-D337 IonicContact CZ-OD1 2.68Å; R104-D337 IonicContact CZ-OD2 3.31Å; R104-D337 IonicContact NE-OD1 3.64Å; R104-D337 PolarHBondContact NE-OD1 2.8Å; R104-D337 IonicContact NE-OD2 2.9Å; R104-D337 IonicContact NH2-OD1 3.07Å; R104-D337 PolarHBondContact NH2-OD1 2.84Å; R104-D337 IonicContact NH2-OD2 3.74Å; R104-D337 PolarHBondContact NH2-OD2 2.9Å; R104-N338 WeakPolarHBondContact CB-ND2 3.28Å; R104-N338 WeakPolarHBondContact CG-ND2 3.39Å; R104-R370 VanDerWaalsContact CZ-O 3.25Å; R104-R370 PolarHBondContact NH1-O 3.49Å; R104-R370 PolarHBondContact NH2-O 3.02Å
105	K	96.2	Very high	97.6	Very high	209 Å²	209	56.5 Å²	56.5	91%	0.909	28%	0.276	S	S	*	.	S	Bend	trans	-75.8	-36.7	174.2	-67.4	-178.2	-177.5	173.5	0	112
106	E	96.7	Very high	97.6	Very high	119 Å²	119	56.9 Å²	56.9	56%	0.556	28%	0.278	S	S	*	.	S	Bend	trans	-129.5	155.5	-179.9	-67.1	-174.2	-177.7	0	0	109.1	R104 N338	R104-E106 VanDerWaalsContact CB-O 3.27Å; R104-E106 WeakPolarHBondContact CB-O 3.37Å; E106-N338 PolarHBondContact O-ND2 3.43Å; E106-N338 VanDerWaalsContact O-ND2 3.11Å; E106-N338 PolarHBondContact O-OD1 3.45Å
107	N	98	Very high	97.5	Very high	44 Å²	44	59 Å²	59	24%	0.235	29%	0.291	C	S	.	.			trans	-96.2	106	169.3	-168	-2.2	0	0	0	107.9	S99 I101 D109 R110 N338	S99-N107 PolarHBondContact OG-ND2 3.29Å; I101-N107 HydrophobicContact CB-CB 4.2Å; I101-N107 HydrophobicContact CD1-CB 4.33Å; I101-N107 HydrophobicContact CG1-CB 4.03Å; N107-D109 WeakPolarHBondContact OD1-CB 3.34Å; N107-D109 PolarHBondContact OD1-N 2.91Å; N107-R110 PolarHBondContact O-NH1 2.97Å; N107-N338 WeakPolarHBondContact OD1-CB 3.33Å; N107-N338 VanDerWaalsContact OD1-CG 3.32Å
108	E	98.4	Very high	97.2	Very high	40 Å²	40	64.3 Å²	64.3	19%	0.187	32%	0.317	C	S	.	.			trans	-90.3	-8.5	-180	-59.2	-172.5	121.6	0	0	111.8	G128 G131 P132 A135 N338	E108-G128 VanDerWaalsContact CB-O 3.28Å; E108-G128 WeakPolarHBondContact CB-O 3.45Å; E108-G128 PolarHBondContact O-N 3.07Å; E108-G131 WeakPolarHBondContact OE1-CA 3.49Å; E108-G131 PolarHBondContact OE1-N 2.71Å; E108-P132 HydrophobicContact CG-CB 4.46Å; E108-A135 WeakPolarHBondContact O-CB 3.28Å; E108-N338 PolarHBondContact N-OD1 3.07Å
109	D	98.7	Very high	97	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.021	34%	0.336	C	S	.	.			trans	-69.6	138.3	173.6	-75.7	-10.8	0	0	0	111.8	N107 Y126 D127 T297 N338 T340	N107-D109 WeakPolarHBondContact OD1-CB 3.34Å; N107-D109 PolarHBondContact OD1-N 2.91Å; D109-Y126 CarbonylContact C-O 3.51Å; D109-Y126 WeakPolarHBondContact CA-O 3.48Å; D109-D127 WeakPolarHBondContact OD1-CA 3.2Å; D109-T297 PolarHBondContact OD2-OG1 2.94Å; D109-N338 HydrophobicContact CB-CB 4.31Å; D109-N338 WeakPolarHBondContact OD2-CB 3.28Å; D109-T340 WeakPolarHBondContact CB-OG1 3.24Å; D109-T340 VanDerWaalsContact CG-OG1 3.26Å; D109-T340 WeakPolarHBondContact OD2-CB 3.38Å; D109-T340 PolarHBondContact OD2-N 3.07Å; D109-T340 PolarHBondContact OD2-OG1 3Å
110	R	98.8	Very high	97	Very high	57 Å²	57	66.9 Å²	66.9	22%	0.215	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152.5	166.1	-59.5	-63.6	178.4	-85	-10.3	109.7	N107 V125 Y126 A135 D136 H139	N107-R110 PolarHBondContact O-NH1 2.97Å; R110-V125 CarbonylContact O-C 3.55Å; R110-V125 WeakPolarHBondContact O-CA 3.4Å; R110-Y126 HydrophobicContact CB-CD2 4.16Å; R110-Y126 PolarHBondContact N-O 2.65Å; R110-Y126 PolarHBondContact O-N 2.66Å; R110-A135 HydrophobicContact CG-CB 3.99Å; R110-D136 IonicContact CZ-OD1 3.49Å; R110-D136 IonicContact NE-OD1 2.65Å; R110-D136 PolarHBondContact NE-OD1 2.91Å; R110-D136 IonicContact NH2-OD1 3.63Å; R110-D136 PolarHBondContact NH2-OD1 3.37Å; R110-D136 IonicContact NH2-OD2 3.37Å; R110-D136 PolarHBondContact NH2-OD2 3.45Å; R110-H139 HydrophobicContact CB-CB 4.05Å; R110-H139 HydrophobicContact CG-CB 4.32Å
111	F	98.8	Very high	97	Very high	57 Å²	57	65.1 Å²	65.1	25%	0.25	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	155.2	173	65.6	-90.4	0	0	0	108.6	C97 F113 A124 V125 H139 T340 V342	C97-F111 HydrophobicContact CB-CD2 3.98Å; C97-F111 HydrophobicContact CB-CE2 3.47Å; C97-F111 VanDerWaalsContact CB-CE2 3.47Å; C97-F111 HydrophobicContact CB-CZ 3.93Å; C97-F111 VanDerWaalsContact SG-CE2 3.5Å; F111-F113 HydrophobicContact CE2-CE1 4.42Å; F111-A124 CarbonylContact C-O 3.43Å; F111-A124 VanDerWaalsContact CA-O 3.22Å; F111-A124 WeakPolarHBondContact CA-O 3.24Å; F111-A124 WeakPolarHBondContact CB-O 3.45Å; F111-V125 HydrophobicContact CB-CG1 3.93Å; F111-H139 PolarHBondContact O-CD2 3.21Å; F111-H139 PolarHBondContact O-NE2 2.78Å; F111-T340 HydrophobicContact CB-CG2 4.03Å; F111-T340 HydrophobicContact CD1-CG2 3.62Å; F111-T340 HydrophobicContact CE1-CG2 4.47Å; F111-T340 HydrophobicContact CG-CG2 4.1Å; F111-V342 HydrophobicContact CB-CG2 3.76Å; F111-V342 HydrophobicContact CD2-CG2 3.95Å; F111-V342 HydrophobicContact CG-CG2 4Å
112	D	98.7	Very high	97.1	Very high	33 Å²	33	61.6 Å²	61.6	18%	0.176	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	155.5	180	-161.5	7.3	0	0	0	111	Y122 F123 A124	D112-Y122 HydrophobicContact CB-CE1 3.89Å; D112-F123 CarbonylContact O-C 3.48Å; D112-F123 WeakPolarHBondContact O-CA 3.11Å; D112-A124 PolarHBondContact N-O 2.93Å; D112-A124 PolarHBondContact O-N 2.74Å
113	F	98.6	Very high	97.3	Very high	55 Å²	55	60.3 Å²	60.3	24%	0.241	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	135.3	171.4	55.8	-91.5	0	0	0	111.2	L92 V95 C97 F111 Y122 F123 V342	L92-F113 HydrophobicContact CB-CD2 4.35Å; L92-F113 HydrophobicContact CB-CE2 4.48Å; L92-F113 HydrophobicContact CD2-CD2 4.32Å; V95-F113 HydrophobicContact CB-CD2 4.2Å; V95-F113 HydrophobicContact CB-CE1 4.46Å; V95-F113 HydrophobicContact CB-CE2 3.96Å; V95-F113 HydrophobicContact CB-CZ 4.1Å; V95-F113 HydrophobicContact CG1-CD1 3.86Å; V95-F113 HydrophobicContact CG1-CD2 4.18Å; V95-F113 HydrophobicContact CG1-CE1 3.84Å; V95-F113 HydrophobicContact CG1-CE2 4.16Å; V95-F113 HydrophobicContact CG1-CG 4.04Å; V95-F113 HydrophobicContact CG1-CZ 3.99Å; V95-F113 HydrophobicContact CG2-CD2 4.36Å; C97-F113 HydrophobicContact CB-CE1 4.32Å; F111-F113 HydrophobicContact CE2-CE1 4.42Å; F113-Y122 CarbonylContact C-O 3.59Å; F113-Y122 WeakPolarHBondContact CA-O 3.15Å; F113-Y122 WeakPolarHBondContact CB-O 3.18Å; F113-F123 HydrophobicContact CB-CD1 3.49Å; F113-F123 VanDerWaalsContact CB-CD1 3.49Å; F113-F123 HydrophobicContact CB-CE1 4.08Å; F113-F123 HydrophobicContact CB-CG 4.37Å; F113-F123 HydrophobicContact CG-CD1 4.46Å; F113-V342 HydrophobicContact CD1-CG1 4.44Å
114	A	98.3	Very high	97.5	Very high	19 Å²	19	53.3 Å²	53.3	16%	0.157	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	164	-176.7	0	0	0	0	0	111.9	L116 Y122 E143	A114-L116 HydrophobicContact CB-CD2 4.49Å; A114-Y122 HydrophobicContact CB-CD1 4.36Å; A114-Y122 PolarHBondContact N-O 3.31Å; A114-Y122 PolarHBondContact O-N 2.93Å; A114-E143 WeakPolarHBondContact CB-OE1 3.44Å
115	Q	98.2	Very high	97.7	Very high	99 Å²	99	50.6 Å²	50.6	46%	0.463	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	107.1	167	179.5	171.1	-14.5	0	0	108	L92 T117 L121	L92-Q115 HydrophobicContact CD1-CB 3.97Å; Q115-T117 WeakPolarHBondContact CG-O 3.47Å; Q115-T117 PolarHBondContact NE2-O 2.74Å; Q115-L121 HydrophobicContact CB-CD2 3.69Å; Q115-L121 HydrophobicContact CG-CD2 3.75Å
116	L	97.3	Very high	97.8	Very high	20 Å²	20	40.7 Å²	40.7	11%	0.105	20%	0.201	C	C	.	.			trans	-77.4	-40.3	-177.8	-58.5	-173.4	0	0	0	111.9	A114 V120 Y122 E143 I146 I147 L150 L194	A114-L116 HydrophobicContact CB-CD2 4.49Å; L116-V120 HydrophobicContact CD1-CG1 4.37Å; L116-V120 PolarHBondContact N-O 3.31Å; L116-Y122 HydrophobicContact CD1-CG 4.32Å; L116-Y122 HydrophobicContact CD2-CD1 4.41Å; L116-Y122 HydrophobicContact CD2-CG 4.27Å; L116-Y122 HydrophobicContact CG-CG 4.4Å; L116-E143 HydrophobicContact CD2-CB 3.93Å; L116-E143 HydrophobicContact CD2-CG 4.08Å; L116-I146 HydrophobicContact CD1-CB 4.07Å; L116-I146 HydrophobicContact CD1-CG2 3.51Å; L116-I147 HydrophobicContact CB-CD1 4.44Å; L116-I147 HydrophobicContact CB-CG1 4.02Å; L116-I147 HydrophobicContact CD1-CG1 4.49Å; L116-I147 HydrophobicContact CD2-CD1 4.07Å; L116-I147 HydrophobicContact CD2-CG1 4.2Å; L116-I147 HydrophobicContact CG-CG1 4.46Å; L116-L150 HydrophobicContact CB-CD1 4.46Å; L116-L194 HydrophobicContact CD1-CD2 4.03Å
117	T	96.3	Very high	97.9	Very high	44 Å²	44	35.5 Å²	35.5	27%	0.27	18%	0.177	S	C	.	.	S	Bend	trans	-140.7	176.2	173.7	76.2	0	0	0	0	109.8	Q115 E119 V120 L150	Q115-T117 WeakPolarHBondContact CG-O 3.47Å; Q115-T117 PolarHBondContact NE2-O 2.74Å; T117-E119 WeakPolarHBondContact CB-OE2 3.45Å; T117-E119 PolarHBondContact O-N 3.42Å; T117-E119 VanDerWaalsContact O-N 3.16Å; T117-E119 PolarHBondContact OG1-N 2.95Å; T117-E119 PolarHBondContact OG1-OE2 2.83Å; T117-V120 PolarHBondContact N-O 2.8Å; T117-V120 PolarHBondContact O-N 2.79Å; T117-V120 PolarHBondContact OG1-N 2.74Å; T117-V120 VanDerWaalsContact OG1-N 3.11Å; T117-L150 HydrophobicContact CG2-CD1 3.87Å
118	D	92.6	Very high	98	Very high	145 Å²	145	33.5 Å²	33.5	78%	0.775	17%	0.167	S	C	*	.	S	Bend	trans	-58.3	-26.7	173.8	-69.9	-22.1	0	0	0	112.7
119	E	94.4	Very high	97.9	Very high	95 Å²	95	32.4 Å²	32.4	44%	0.444	16%	0.162	S	C	.	.	S	Bend	trans	-100.7	-23.5	-178.9	-49.4	79.6	-172.6	0	0	113.8	T117 R196 D197	T117-E119 WeakPolarHBondContact CB-OE2 3.45Å; T117-E119 PolarHBondContact O-N 3.42Å; T117-E119 VanDerWaalsContact O-N 3.16Å; T117-E119 PolarHBondContact OG1-N 2.95Å; T117-E119 PolarHBondContact OG1-OE2 2.83Å; E119-R196 HydrophobicContact CB-CG 4.38Å; E119-R196 CarbonylContact O-C 3.59Å; E119-R196 WeakPolarHBondContact O-CA 3.47Å; E119-D197 PolarHBondContact O-N 2.97Å
120	V	98.1	Very high	97.8	Very high	6 Å²	6	34 Å²	34	4%	0.036	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.4	-167.7	-176.8	0	0	0	0	111.8	L116 T117 L150 L194 L195 R196	L116-V120 HydrophobicContact CD1-CG1 4.37Å; L116-V120 PolarHBondContact N-O 3.31Å; T117-V120 PolarHBondContact N-O 2.8Å; T117-V120 PolarHBondContact O-N 2.79Å; T117-V120 PolarHBondContact OG1-N 2.74Å; T117-V120 VanDerWaalsContact OG1-N 3.11Å; V120-L150 HydrophobicContact CB-CD1 4.35Å; V120-L150 HydrophobicContact CG1-CD1 4.36Å; V120-L150 HydrophobicContact CG2-CD1 4.31Å; V120-L150 HydrophobicContact CG2-CD2 4.32Å; V120-L194 HydrophobicContact CG1-CB 4.39Å; V120-L194 HydrophobicContact CG1-CD2 4.08Å; V120-L195 WeakPolarHBondContact CA-O 3.3Å; V120-R196 HydrophobicContact CG2-CB 4.26Å; V120-R196 HydrophobicContact CG2-CG 4.19Å
121	L	98.6	Very high	97.6	Very high	17 Å²	17	32.3 Å²	32.3	9%	0.089	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	149.5	165.8	-54.7	179.9	0	0	0	110.5	I90 L92 Q115 F123 L194 L195	I90-L121 HydrophobicContact CB-CD1 3.86Å; I90-L121 HydrophobicContact CG2-CD1 4.16Å; L92-L121 HydrophobicContact CD2-CD1 4.41Å; L92-L121 HydrophobicContact CD2-CD2 4.35Å; Q115-L121 HydrophobicContact CB-CD2 3.69Å; Q115-L121 HydrophobicContact CG-CD2 3.75Å; L121-F123 HydrophobicContact CB-CE2 3.77Å; L121-F123 HydrophobicContact CB-CZ 3.82Å; L121-F123 HydrophobicContact CD1-CZ 4.1Å; L121-L194 CarbonylContact O-C 3.58Å; L121-L194 WeakPolarHBondContact O-CA 3.49Å; L121-L195 HydrophobicContact CB-CB 4.29Å; L121-L195 HydrophobicContact CD1-CD2 4.39Å; L121-L195 PolarHBondContact N-O 2.99Å; L121-L195 PolarHBondContact O-N 3.19Å
122	Y	98.8	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.5	-179.2	157.6	-97.7	0	0	0	110.3	D112 F113 A114 L116 A124 Y126 M142 E143 I146 V192 A193 L194	D112-Y122 HydrophobicContact CB-CE1 3.89Å; F113-Y122 CarbonylContact C-O 3.59Å; F113-Y122 WeakPolarHBondContact CA-O 3.15Å; F113-Y122 WeakPolarHBondContact CB-O 3.18Å; A114-Y122 HydrophobicContact CB-CD1 4.36Å; A114-Y122 PolarHBondContact N-O 3.31Å; A114-Y122 PolarHBondContact O-N 2.93Å; L116-Y122 HydrophobicContact CD1-CG 4.32Å; L116-Y122 HydrophobicContact CD2-CD1 4.41Å; L116-Y122 HydrophobicContact CD2-CG 4.27Å; L116-Y122 HydrophobicContact CG-CG 4.4Å; Y122-A124 HydrophobicContact CE1-CB 4.33Å; Y122-A124 HydrophobicContact CE2-CB 3.71Å; Y122-A124 VanDerWaalsContact OH-CB 3.28Å; Y122-A124 WeakPolarHBondContact OH-CB 3.48Å; Y122-Y126 PolarHBondContact OH-OH 2.89Å; Y122-M142 HydrophobicContact CE2-CG 3.97Å; Y122-E143 HydrophobicContact CD1-CG 4.02Å; Y122-E143 HydrophobicContact CE1-CG 3.67Å; Y122-I146 HydrophobicContact CD2-CD1 4.03Å; Y122-I146 HydrophobicContact CE2-CD1 4.12Å; Y122-V192 HydrophobicContact CD2-CG1 3.69Å; Y122-V192 HydrophobicContact CE2-CG1 3.56Å; Y122-V192 HydrophobicContact CE2-CG2 4.46Å; Y122-A193 WeakPolarHBondContact CA-O 3.44Å; Y122-L194 HydrophobicContact CD2-CD2 4.09Å
123	F	98.9	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	136.1	174.6	-46.5	-86.1	0	0	0	108.5	L92 V95 D112 F113 L121 V192 A193 L195 L295 V344	L92-F123 HydrophobicContact CD2-CE1 3.71Å; L92-F123 HydrophobicContact CD2-CZ 4.03Å; V95-F123 HydrophobicContact CG2-CE1 4.01Å; D112-F123 CarbonylContact O-C 3.48Å; D112-F123 WeakPolarHBondContact O-CA 3.11Å; F113-F123 HydrophobicContact CB-CD1 3.49Å; F113-F123 VanDerWaalsContact CB-CD1 3.49Å; F113-F123 HydrophobicContact CB-CE1 4.08Å; F113-F123 HydrophobicContact CB-CG 4.37Å; F113-F123 HydrophobicContact CG-CD1 4.46Å; L121-F123 HydrophobicContact CB-CE2 3.77Å; L121-F123 HydrophobicContact CB-CZ 3.82Å; L121-F123 HydrophobicContact CD1-CZ 4.1Å; F123-V192 CarbonylContact O-C 3.59Å; F123-V192 WeakPolarHBondContact O-CA 3.33Å; F123-A193 HydrophobicContact CB-CB 4.33Å; F123-A193 HydrophobicContact CD2-CB 4.39Å; F123-A193 PolarHBondContact N-O 3.46Å; F123-A193 PolarHBondContact O-N 2.81Å; F123-L195 HydrophobicContact CE2-CB 4.3Å; F123-L295 HydrophobicContact CB-CD1 3.95Å; F123-V344 HydrophobicContact CD1-CG1 4.35Å; F123-V344 HydrophobicContact CD1-CG2 3.4Å; F123-V344 HydrophobicContact CD2-CG2 4.42Å; F123-V344 HydrophobicContact CE1-CB 4.33Å; F123-V344 HydrophobicContact CE1-CG1 3.72Å; F123-V344 HydrophobicContact CE1-CG2 3.61Å; F123-V344 HydrophobicContact CE2-CG1 4.22Å; F123-V344 HydrophobicContact CG-CG2 3.86Å; F123-V344 HydrophobicContact CZ-CG1 3.64Å; F123-V344 HydrophobicContact CZ-CG2 4.21Å
124	A	98.9	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	153.6	-179.7	0	0	0	0	0	113.6	F111 D112 Y122 Y126 T191 V192	F111-A124 CarbonylContact C-O 3.43Å; F111-A124 VanDerWaalsContact CA-O 3.22Å; F111-A124 WeakPolarHBondContact CA-O 3.24Å; F111-A124 WeakPolarHBondContact CB-O 3.45Å; D112-A124 PolarHBondContact N-O 2.93Å; D112-A124 PolarHBondContact O-N 2.74Å; Y122-A124 HydrophobicContact CE1-CB 4.33Å; Y122-A124 HydrophobicContact CE2-CB 3.71Å; Y122-A124 VanDerWaalsContact OH-CB 3.28Å; Y122-A124 WeakPolarHBondContact OH-CB 3.48Å; A124-Y126 HydrophobicContact CB-CE1 4.36Å; A124-Y126 HydrophobicContact CB-CE2 3.64Å; A124-Y126 WeakPolarHBondContact CB-OH 3.35Å; A124-T191 VanDerWaalsContact CA-O 3.26Å; A124-T191 WeakPolarHBondContact CA-O 3.42Å; A124-V192 HydrophobicContact CB-CG2 3.96Å
125	V	98.9	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	142.9	163.6	-64.1	0	0	0	0	109.4	R110 F111 T191 L295 T297 T340 V342	R110-V125 CarbonylContact O-C 3.55Å; R110-V125 WeakPolarHBondContact O-CA 3.4Å; F111-V125 HydrophobicContact CB-CG1 3.93Å; V125-T191 PolarHBondContact N-O 3.45Å; V125-T191 PolarHBondContact O-N 3.24Å; V125-L295 HydrophobicContact CB-CB 4.46Å; V125-L295 HydrophobicContact CG1-CB 3.67Å; V125-L295 HydrophobicContact CG1-CD1 4.25Å; V125-L295 HydrophobicContact CG2-CB 3.92Å; V125-T297 HydrophobicContact CB-CG2 4.32Å; V125-T340 HydrophobicContact CG1-CG2 4.46Å; V125-V342 HydrophobicContact CG1-CG2 3.85Å
126	Y	98.9	Very high	97.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	110	-179.6	-50.6	-75.8	0	0	0	108	D109 R110 Y122 A124 C138 H139 M142 T189 A190 V192	D109-Y126 CarbonylContact C-O 3.51Å; D109-Y126 WeakPolarHBondContact CA-O 3.48Å; R110-Y126 HydrophobicContact CB-CD2 4.16Å; R110-Y126 PolarHBondContact N-O 2.65Å; R110-Y126 PolarHBondContact O-N 2.66Å; Y122-Y126 PolarHBondContact OH-OH 2.89Å; A124-Y126 HydrophobicContact CB-CE1 4.36Å; A124-Y126 HydrophobicContact CB-CE2 3.64Å; A124-Y126 WeakPolarHBondContact CB-OH 3.35Å; Y126-C138 HydrophobicContact CD1-CB 3.58Å; Y126-C138 HydrophobicContact CD2-CB 4.41Å; Y126-C138 HydrophobicContact CE1-CB 3.58Å; Y126-C138 HydrophobicContact CE2-CB 4.41Å; Y126-C138 HydrophobicContact CG-CB 4.02Å; Y126-H139 HydrophobicContact CD2-CB 4.29Å; Y126-H139 HydrophobicContact CE2-CB 4.38Å; Y126-M142 HydrophobicContact CE1-CE 4.16Å; Y126-M142 VanDerWaalsContact OH-CB 3.26Å; Y126-M142 WeakPolarHBondContact OH-CB 3.4Å; Y126-M142 VanDerWaalsContact OH-CG 3.26Å; Y126-M142 WeakPolarHBondContact OH-CG 3.43Å; Y126-T189 WeakPolarHBondContact CA-O 3.39Å; Y126-A190 HydrophobicContact CD1-CB 3.7Å; Y126-A190 HydrophobicContact CE1-CB 3.76Å; Y126-V192 HydrophobicContact CE1-CG2 4.21Å
127	D	98.7	Very high	97.7	Very high	10 Å²	10	25.4 Å²	25.4	5%	0.053	15%	0.153	C	C	.	.			trans	-93.8	108.8	177.1	-173	-27.5	0	0	0	107.3	D109 T188 T189 T297 D298	D109-D127 WeakPolarHBondContact OD1-CA 3.2Å; D127-T188 VanDerWaalsContact C-OG1 3.24Å; D127-T188 PolarHBondContact N-OG1 3.47Å; D127-T188 CarbonylContact O-C 3.58Å; D127-T188 WeakPolarHBondContact O-CA 3.41Å; D127-T188 WeakPolarHBondContact O-CB 3.43Å; D127-T188 PolarHBondContact O-OG1 3.16Å; D127-T189 HydrophobicContact CB-CG2 3.87Å; D127-T189 WeakPolarHBondContact CB-OG1 3.12Å; D127-T189 PolarHBondContact N-OG1 2.68Å; D127-T189 PolarHBondContact O-N 2.74Å; D127-T297 HydrophobicContact CB-CG2 3.9Å; D127-T297 WeakPolarHBondContact OD2-CB 3.46Å; D127-D298 PolarHBondContact OD2-N 2.98Å; D127-D298 VanDerWaalsContact OD2-N 3.15Å
128	G	98.4	Very high	97.8	Very high	3 Å²	3	23.3 Å²	23.3	3%	0.031	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	150.2	-173.3	0	0	0	0	0	112.6	E108	E108-G128 VanDerWaalsContact CB-O 3.28Å; E108-G128 WeakPolarHBondContact CB-O 3.45Å; E108-G128 PolarHBondContact O-N 3.07Å
129	H	97.6	Very high	98.1	Very high	16 Å²	16	19.4 Å²	19.4	7%	0.074	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	151.6	172.8	61.2	-102.6	0	0	0	111.8	G131 S186 G187 L258 D266	H129-G131 VanDerWaalsContact C-N 3.33Å; H129-S186 WeakPolarHBondContact O-CA 3.38Å; H129-G187 VanDerWaalsContact CE1-C 3.47Å; H129-G187 PolarHBondContact N-O 2.72Å; H129-G187 WeakPolarHBondContact NE2-CA 3.33Å; H129-G187 PolarHBondContact O-N 3.31Å; H129-L258 WeakPolarHBondContact NE2-CD1 3.33Å; H129-D266 IonicContact CD2-OD1 2.87Å; H129-D266 IonicContact CE1-OD2 3.74Å; H129-D266 PolarHBondContact CE1-OD2 2.88Å; H129-D266 VanDerWaalsContact CE1-OD2 3.3Å; H129-D266 VanDerWaalsContact NE2-CG 3.26Å; H129-D266 IonicContact NE2-OD1 3.34Å; H129-D266 PolarHBondContact NE2-OD1 3.27Å; H129-D266 IonicContact NE2-OD2 3.25Å; H129-D266 PolarHBondContact NE2-OD2 3.25Å
130	G	95.4	Very high	98.3	Very high	38 Å²	38	19.1 Å²	19.1	39%	0.392	12%	0.122	S	C	.	.	S	Bend	trans	68.8	33.7	179.9	0	0	0	0	0	112.8	S186	G130-S186 WeakPolarHBondContact O-CA 3.42Å
131	G	96.3	Very high	98.3	Very high	21 Å²	21	22.3 Å²	22.3	22%	0.216	14%	0.136	C	C	.	.	S	Bend	trans	103	145.9	-170.9	0	0	0	0	0	111.2	E108 H129 A133 S186	E108-G131 WeakPolarHBondContact OE1-CA 3.49Å; E108-G131 PolarHBondContact OE1-N 2.71Å; H129-G131 VanDerWaalsContact C-N 3.33Å; G131-A133 PolarHBondContact O-N 2.74Å; G131-A133 VanDerWaalsContact O-N 3.15Å; G131-S186 PolarHBondContact O-OG 2.64Å
132	P	97.5	Very high	98.3	Very high	29 Å²	29	21.5 Å²	21.5	19%	0.188	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.7	-175.3	31.4	-37.5	0	0	0	114	E108 A134 A135 D136	E108-P132 HydrophobicContact CG-CB 4.46Å; P132-A134 PolarHBondContact O-N 3.47Å; P132-A135 PolarHBondContact O-N 3.32Å; P132-A135 VanDerWaalsContact O-N 3.07Å; P132-D136 WeakPolarHBondContact O-CB 3.21Å; P132-D136 PolarHBondContact O-N 3Å
133	A	98.1	Very high	98.3	Very high	27 Å²	27	24 Å²	24	22%	0.223	14%	0.144	C	C	.	.	H	α-helix	trans	-56.7	-41.9	-168.1	0	0	0	0	0	114	G131 F137 F171 L183	G131-A133 PolarHBondContact O-N 2.74Å; G131-A133 VanDerWaalsContact O-N 3.15Å; A133-F137 VanDerWaalsContact O-CB 3.24Å; A133-F137 WeakPolarHBondContact O-CB 3.12Å; A133-F137 PolarHBondContact O-N 2.97Å; A133-F171 HydrophobicContact CB-CE2 4.48Å; A133-L183 HydrophobicContact CB-CD1 4.16Å; A133-L183 HydrophobicContact CB-CG 3.91Å
134	A	98.4	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.6	-41.4	177.4	0	0	0	0	0	112.4	P132 F137 C138 F171 S186 T188	P132-A134 PolarHBondContact O-N 3.47Å; A134-F137 PolarHBondContact O-N 3.32Å; A134-C138 PolarHBondContact O-N 2.97Å; A134-C138 PolarHBondContact O-SG 3.39Å; A134-F171 HydrophobicContact CB-CE1 3.92Å; A134-F171 HydrophobicContact CB-CE2 4.04Å; A134-F171 HydrophobicContact CB-CZ 3.64Å; A134-S186 WeakPolarHBondContact CB-OG 3.13Å; A134-S186 PolarHBondContact N-OG 2.68Å; A134-T188 HydrophobicContact CB-CG2 3.94Å
135	A	98.7	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-45.5	176.6	0	0	0	0	0	111.3	E108 R110 P132 F137 C138 H139 T188	E108-A135 WeakPolarHBondContact O-CB 3.28Å; R110-A135 HydrophobicContact CG-CB 3.99Å; P132-A135 PolarHBondContact O-N 3.32Å; P132-A135 VanDerWaalsContact O-N 3.07Å; A135-F137 VanDerWaalsContact C-N 3.32Å; A135-F137 PolarHBondContact O-N 2.7Å; A135-C138 PolarHBondContact O-N 3.32Å; A135-H139 WeakPolarHBondContact O-CB 3.45Å; A135-H139 PolarHBondContact O-N 3.09Å; A135-T188 WeakPolarHBondContact CB-OG1 3.45Å
136	D	98.7	Very high	98.2	Very high	57 Å²	57	31 Å²	31	31%	0.305	18%	0.176	S	C	.	.	H	α-helix	trans	-59.1	-42.2	174.6	-77	-33.8	0	0	0	111.9	R110 P132 H139 T140	R110-D136 IonicContact CZ-OD1 3.49Å; R110-D136 IonicContact NE-OD1 2.65Å; R110-D136 PolarHBondContact NE-OD1 2.91Å; R110-D136 IonicContact NH2-OD1 3.63Å; R110-D136 PolarHBondContact NH2-OD1 3.37Å; R110-D136 IonicContact NH2-OD2 3.37Å; R110-D136 PolarHBondContact NH2-OD2 3.45Å; P132-D136 WeakPolarHBondContact O-CB 3.21Å; P132-D136 PolarHBondContact O-N 3Å; D136-H139 PolarHBondContact O-N 3.16Å; D136-T140 WeakPolarHBondContact O-CB 3.34Å; D136-T140 PolarHBondContact O-N 2.87Å; D136-T140 PolarHBondContact O-OG1 3.42Å
137	F	98.6	Very high	98.1	Very high	25 Å²	25	34.2 Å²	34.2	11%	0.11	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-43.5	178	-169.4	-87.7	0	0	0	111.6	A133 A134 A135 T140 H141 A170 F171 H174	A133-F137 VanDerWaalsContact O-CB 3.24Å; A133-F137 WeakPolarHBondContact O-CB 3.12Å; A133-F137 PolarHBondContact O-N 2.97Å; A134-F137 PolarHBondContact O-N 3.32Å; A135-F137 VanDerWaalsContact C-N 3.32Å; A135-F137 PolarHBondContact O-N 2.7Å; F137-T140 PolarHBondContact O-N 3.13Å; F137-H141 AromaticContact CD1-CD2 3.86Å; F137-H141 AromaticContact CD2-CD2 3.55Å; F137-H141 AromaticContact CD2-NE2 3.89Å; F137-H141 HydrophobicContact CE1-CB 4.5Å; F137-H141 AromaticContact CE1-CD2 3.76Å; F137-H141 AromaticContact CE2-CD2 3.44Å; F137-H141 VanDerWaalsContact CE2-CD2 3.44Å; F137-H141 WeakPolarHBondContact CE2-CD2 3.26Å; F137-H141 AromaticContact CE2-NE2 3.68Å; F137-H141 AromaticContact CG-CD2 3.76Å; F137-H141 AromaticContact CZ-CD2 3.54Å; F137-H141 WeakPolarHBondContact O-CB 3.33Å; F137-H141 PolarHBondContact O-CD2 3.18Å; F137-H141 VanDerWaalsContact O-CD2 3.29Å; F137-H141 PolarHBondContact O-N 2.86Å; F137-A170 HydrophobicContact CE1-CB 3.97Å; F137-A170 HydrophobicContact CZ-CB 3.87Å; F137-F171 HydrophobicContact CB-CD2 3.71Å; F137-F171 HydrophobicContact CB-CE2 4.21Å; F137-F171 HydrophobicContact CD1-CB 3.74Å; F137-F171 AromaticContact CD1-CD2 3.99Å; F137-F171 HydrophobicContact CD1-CD2 3.99Å; F137-F171 HydrophobicContact CD1-CG 4.32Å; F137-F171 HydrophobicContact CD2-CD2 4.04Å; F137-F171 HydrophobicContact CE1-CB 3.83Å; F137-F171 HydrophobicContact CG-CB 4.27Å; F137-F171 AromaticContact CG-CD2 3.64Å; F137-F171 HydrophobicContact CG-CD2 3.64Å; F137-F171 HydrophobicContact CG-CG 4.41Å; F137-F171 HydrophobicContact CZ-CB 4.42Å; F137-H174 HydrophobicContact CE2-CB 3.95Å
138	C	98.8	Very high	98.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-49.4	176.3	-66.5	0	0	0	0	111.3	Y126 A134 A135 T140 H141 M142	Y126-C138 HydrophobicContact CD1-CB 3.58Å; Y126-C138 HydrophobicContact CD2-CB 4.41Å; Y126-C138 HydrophobicContact CE1-CB 3.58Å; Y126-C138 HydrophobicContact CE2-CB 4.41Å; Y126-C138 HydrophobicContact CG-CB 4.02Å; A134-C138 PolarHBondContact O-N 2.97Å; A134-C138 PolarHBondContact O-SG 3.39Å; A135-C138 PolarHBondContact O-N 3.32Å; C138-T140 VanDerWaalsContact C-N 3.26Å; C138-T140 PolarHBondContact O-N 3.09Å; C138-H141 PolarHBondContact O-N 3.44Å; C138-M142 WeakPolarHBondContact O-CB 3.23Å; C138-M142 PolarHBondContact O-N 2.91Å
139	H	98.7	Very high	98.1	Very high	64 Å²	64	38.6 Å²	38.6	30%	0.296	22%	0.215	S	C	.	.	H	α-helix	trans	-54.2	-43.1	175.5	176.9	-81.2	0	0	0	111.8	R110 F111 Y126 A135 D136	R110-H139 HydrophobicContact CB-CB 4.05Å; R110-H139 HydrophobicContact CG-CB 4.32Å; F111-H139 PolarHBondContact O-CD2 3.21Å; F111-H139 PolarHBondContact O-NE2 2.78Å; Y126-H139 HydrophobicContact CD2-CB 4.29Å; Y126-H139 HydrophobicContact CE2-CB 4.38Å; A135-H139 WeakPolarHBondContact O-CB 3.45Å; A135-H139 PolarHBondContact O-N 3.09Å; D136-H139 PolarHBondContact O-N 3.16Å
140	T	98.6	Very high	98.1	Very high	89 Å²	89	39.3 Å²	39.3	55%	0.546	22%	0.219	S	C	.	.	H	α-helix	trans	-74.2	-30.2	-176.9	-54.4	0	0	0	0	113.7	D136 F137 C138	D136-T140 WeakPolarHBondContact O-CB 3.34Å; D136-T140 PolarHBondContact O-N 2.87Å; D136-T140 PolarHBondContact O-OG1 3.42Å; F137-T140 PolarHBondContact O-N 3.13Å; C138-T140 VanDerWaalsContact C-N 3.26Å; C138-T140 PolarHBondContact O-N 3.09Å
141	H	98.5	Very high	98.2	Very high	72 Å²	72	43 Å²	43	33%	0.333	24%	0.237	S	C	.	.	H	α-helix	trans	-119.3	-14.1	-166	-62.3	-51.4	0	0	0	115.4	F137 C138 E143 K144 C145 I167	F137-H141 AromaticContact CD1-CD2 3.86Å; F137-H141 AromaticContact CD2-CD2 3.55Å; F137-H141 AromaticContact CD2-NE2 3.89Å; F137-H141 HydrophobicContact CE1-CB 4.5Å; F137-H141 AromaticContact CE1-CD2 3.76Å; F137-H141 AromaticContact CE2-CD2 3.44Å; F137-H141 VanDerWaalsContact CE2-CD2 3.44Å; F137-H141 WeakPolarHBondContact CE2-CD2 3.26Å; F137-H141 AromaticContact CE2-NE2 3.68Å; F137-H141 AromaticContact CG-CD2 3.76Å; F137-H141 AromaticContact CZ-CD2 3.54Å; F137-H141 WeakPolarHBondContact O-CB 3.33Å; F137-H141 PolarHBondContact O-CD2 3.18Å; F137-H141 VanDerWaalsContact O-CD2 3.29Å; F137-H141 PolarHBondContact O-N 2.86Å; C138-H141 PolarHBondContact O-N 3.44Å; H141-E143 PolarHBondContact O-N 3.15Å; H141-K144 PolarHBondContact O-N 3.31Å; H141-C145 PolarHBondContact O-N 3.46Å; H141-I167 HydrophobicContact CB-CD1 4.19Å
142	M	98.6	Very high	98.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-45.2	-173.9	-174.2	68.3	70.3	0	0	111.9	Y122 Y126 C138 K144 C145 I146 A163 F164 I167 V192 I264	Y122-M142 HydrophobicContact CE2-CG 3.97Å; Y126-M142 HydrophobicContact CE1-CE 4.16Å; Y126-M142 VanDerWaalsContact OH-CB 3.26Å; Y126-M142 WeakPolarHBondContact OH-CB 3.4Å; Y126-M142 VanDerWaalsContact OH-CG 3.26Å; Y126-M142 WeakPolarHBondContact OH-CG 3.43Å; C138-M142 WeakPolarHBondContact O-CB 3.23Å; C138-M142 PolarHBondContact O-N 2.91Å; M142-K144 VanDerWaalsContact C-N 3.34Å; M142-K144 PolarHBondContact O-N 3.38Å; M142-C145 PolarHBondContact O-N 3.09Å; M142-I146 HydrophobicContact CG-CD1 3.7Å; M142-I146 HydrophobicContact CG-CG1 4.34Å; M142-I146 WeakPolarHBondContact O-CG1 3.21Å; M142-I146 PolarHBondContact O-N 3.33Å; M142-I146 HydrophobicContact SD-CD1 4.06Å; M142-I146 HydrophobicContact SD-CG1 4.3Å; M142-A163 HydrophobicContact SD-CB 4.24Å; M142-F164 HydrophobicContact CE-CD2 4.26Å; M142-F164 HydrophobicContact CE-CE2 4.25Å; M142-F164 HydrophobicContact SD-CD2 4.5Å; M142-I167 HydrophobicContact CB-CD1 3.78Å; M142-I167 HydrophobicContact CE-CD1 3.67Å; M142-I167 HydrophobicContact CE-CG2 4.35Å; M142-I167 HydrophobicContact CG-CD1 4.39Å; M142-I167 HydrophobicContact SD-CD1 3.8Å; M142-V192 HydrophobicContact CE-CG2 4.31Å; M142-V192 HydrophobicContact CG-CG2 4.35Å; M142-I264 HydrophobicContact CE-CD1 4.25Å
143	E	98.4	Very high	98.2	Very high	53 Å²	53	51.4 Å²	51.4	25%	0.248	27%	0.265	C	S	.	.	H	α-helix	trans	-55.8	-50.1	178.6	-60.4	-166.6	151.2	0	0	111.7	A114 L116 Y122 H141 C145 I146 I147	A114-E143 WeakPolarHBondContact CB-OE1 3.44Å; L116-E143 HydrophobicContact CD2-CB 3.93Å; L116-E143 HydrophobicContact CD2-CG 4.08Å; Y122-E143 HydrophobicContact CD1-CG 4.02Å; Y122-E143 HydrophobicContact CE1-CG 3.67Å; H141-E143 PolarHBondContact O-N 3.15Å; E143-C145 VanDerWaalsContact C-N 3.34Å; E143-C145 PolarHBondContact O-N 3.49Å; E143-I146 PolarHBondContact O-N 3.49Å; E143-I147 WeakPolarHBondContact O-CB 3.22Å; E143-I147 VanDerWaalsContact O-CG1 3.25Å; E143-I147 WeakPolarHBondContact O-CG1 3.46Å; E143-I147 PolarHBondContact O-N 2.78Å
144	K	98	Very high	98.1	Very high	127 Å²	127	58.4 Å²	58.4	55%	0.552	29%	0.291	S	S	*	.	H	α-helix	trans	-59.9	-45.3	179.3	-176.5	179.6	174.6	59.2	0	111.3	H141 M142 I146 I147 D148	H141-K144 PolarHBondContact O-N 3.31Å; M142-K144 VanDerWaalsContact C-N 3.34Å; M142-K144 PolarHBondContact O-N 3.38Å; K144-I146 VanDerWaalsContact C-N 3.32Å; K144-I146 PolarHBondContact O-N 3.49Å; K144-I147 PolarHBondContact O-N 2.8Å; K144-D148 IonicContact NZ-OD2 3.74Å; K144-D148 WeakPolarHBondContact O-CB 3.25Å; K144-D148 VanDerWaalsContact O-CG 3.27Å; K144-D148 PolarHBondContact O-N 3.25Å
145	C	97.9	Very high	98.1	Very high	20 Å²	20	61.4 Å²	61.4	14%	0.135	31%	0.307	C	S	.	.	H	α-helix	trans	-59.7	-44.4	179.2	-169.6	0	0	0	0	111.4	H141 M142 E143 D148 L149 I167	H141-C145 PolarHBondContact O-N 3.46Å; M142-C145 PolarHBondContact O-N 3.09Å; E143-C145 VanDerWaalsContact C-N 3.34Å; E143-C145 PolarHBondContact O-N 3.49Å; C145-D148 PolarHBondContact O-N 3.49Å; C145-L149 WeakPolarHBondContact O-CD1 3.29Å; C145-L149 WeakPolarHBondContact O-CG 3.48Å; C145-L149 PolarHBondContact O-N 2.97Å; C145-I167 HydrophobicContact CB-CD1 4.49Å; C145-I167 HydrophobicContact CB-CG1 4.41Å
146	I	98.6	Very high	98.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.5	-48.1	177.9	-65.3	170.9	0	0	0	110.6	L116 Y122 M142 E143 K144 D148 L149 L150 V159 L160 A163 V192 L194	L116-I146 HydrophobicContact CD1-CB 4.07Å; L116-I146 HydrophobicContact CD1-CG2 3.51Å; Y122-I146 HydrophobicContact CD2-CD1 4.03Å; Y122-I146 HydrophobicContact CE2-CD1 4.12Å; M142-I146 HydrophobicContact CG-CD1 3.7Å; M142-I146 HydrophobicContact CG-CG1 4.34Å; M142-I146 WeakPolarHBondContact O-CG1 3.21Å; M142-I146 PolarHBondContact O-N 3.33Å; M142-I146 HydrophobicContact SD-CD1 4.06Å; M142-I146 HydrophobicContact SD-CG1 4.3Å; E143-I146 PolarHBondContact O-N 3.49Å; K144-I146 VanDerWaalsContact C-N 3.32Å; K144-I146 PolarHBondContact O-N 3.49Å; I146-D148 VanDerWaalsContact C-N 3.27Å; I146-D148 PolarHBondContact O-N 3.37Å; I146-L149 PolarHBondContact O-N 3.35Å; I146-L150 HydrophobicContact CG2-CD1 4.2Å; I146-L150 HydrophobicContact CG2-CD2 4.47Å; I146-L150 HydrophobicContact CG2-CG 4.09Å; I146-L150 WeakPolarHBondContact O-CG 3.3Å; I146-L150 PolarHBondContact O-N 2.95Å; I146-V159 HydrophobicContact CG2-CG1 4.13Å; I146-L160 HydrophobicContact CD1-CD2 3.95Å; I146-L160 HydrophobicContact CG1-CD2 4.49Å; I146-A163 HydrophobicContact CG1-CB 3.92Å; I146-V192 HydrophobicContact CD1-CG1 4.11Å; I146-L194 HydrophobicContact CD1-CD2 4.27Å; I146-L194 HydrophobicContact CG2-CD1 3.99Å; I146-L194 HydrophobicContact CG2-CD2 4.26Å
147	I	98.4	Very high	98.1	Very high	68 Å²	68	61 Å²	61	35%	0.349	30%	0.303	S	S	.	.	H	α-helix	trans	-55.8	-42.7	177.8	-71.3	165.5	0	0	0	111.1	L116 E143 K144 L149 P151	L116-I147 HydrophobicContact CB-CD1 4.44Å; L116-I147 HydrophobicContact CB-CG1 4.02Å; L116-I147 HydrophobicContact CD1-CG1 4.49Å; L116-I147 HydrophobicContact CD2-CD1 4.07Å; L116-I147 HydrophobicContact CD2-CG1 4.2Å; L116-I147 HydrophobicContact CG-CG1 4.46Å; E143-I147 WeakPolarHBondContact O-CB 3.22Å; E143-I147 VanDerWaalsContact O-CG1 3.25Å; E143-I147 WeakPolarHBondContact O-CG1 3.46Å; E143-I147 PolarHBondContact O-N 2.78Å; K144-I147 PolarHBondContact O-N 2.8Å; I147-L149 PolarHBondContact O-N 2.87Å; I147-P151 WeakPolarHBondContact O-CD 3.27Å
148	D	98.1	Very high	98	Very high	75 Å²	75	62 Å²	62	40%	0.401	31%	0.312	S	S	.	.	H	α-helix	trans	-69.6	-17.5	179.5	-71.5	-20.6	0	0	0	113.1	K144 C145 I146 K152	K144-D148 IonicContact NZ-OD2 3.74Å; K144-D148 WeakPolarHBondContact O-CB 3.25Å; K144-D148 VanDerWaalsContact O-CG 3.27Å; K144-D148 PolarHBondContact O-N 3.25Å; C145-D148 PolarHBondContact O-N 3.49Å; I146-D148 VanDerWaalsContact C-N 3.27Å; I146-D148 PolarHBondContact O-N 3.37Å; D148-K152 WeakPolarHBondContact O-CD 3.28Å; D148-K152 VanDerWaalsContact O-CE 3.23Å; D148-K152 WeakPolarHBondContact O-CE 3.15Å; D148-K152 PolarHBondContact O-NZ 2.9Å
149	L	98.1	Very high	98	Very high	29 Å²	29	62 Å²	62	15%	0.152	31%	0.312	C	S	.	.	H	α-helix	trans	-97.6	-30.5	179	-73.7	169.3	0	0	0	113.5	C145 I146 I147 K152 E153 V159 L162 A163	C145-L149 WeakPolarHBondContact O-CD1 3.29Å; C145-L149 WeakPolarHBondContact O-CG 3.48Å; C145-L149 PolarHBondContact O-N 2.97Å; I146-L149 PolarHBondContact O-N 3.35Å; I147-L149 PolarHBondContact O-N 2.87Å; L149-K152 WeakPolarHBondContact O-CB 3.18Å; L149-K152 PolarHBondContact O-N 2.83Å; L149-E153 PolarHBondContact O-N 2.84Å; L149-E153 VanDerWaalsContact O-N 3.07Å; L149-V159 HydrophobicContact CB-CG1 3.98Å; L149-L162 HydrophobicContact CD1-CB 3.97Å; L149-L162 HydrophobicContact CD2-CB 4.39Å; L149-L162 HydrophobicContact CD2-CD1 4.4Å; L149-A163 HydrophobicContact CD1-CB 3.87Å
150	L	97.8	Very high	98	Very high	31 Å²	31	59 Å²	59	16%	0.162	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-39.2	-178	-76.1	173.5	0	0	0	114.4	L116 T117 V120 I146 K152 L156 V159	L116-L150 HydrophobicContact CB-CD1 4.46Å; T117-L150 HydrophobicContact CG2-CD1 3.87Å; V120-L150 HydrophobicContact CB-CD1 4.35Å; V120-L150 HydrophobicContact CG1-CD1 4.36Å; V120-L150 HydrophobicContact CG2-CD1 4.31Å; V120-L150 HydrophobicContact CG2-CD2 4.32Å; I146-L150 HydrophobicContact CG2-CD1 4.2Å; I146-L150 HydrophobicContact CG2-CD2 4.47Å; I146-L150 HydrophobicContact CG2-CG 4.09Å; I146-L150 WeakPolarHBondContact O-CG 3.3Å; I146-L150 PolarHBondContact O-N 2.95Å; L150-K152 VanDerWaalsContact C-N 3.28Å; L150-K152 PolarHBondContact O-N 2.83Å; L150-L156 HydrophobicContact CD2-CD2 3.83Å; L150-V159 HydrophobicContact CD2-CG1 4.42Å
151	P	97.1	Very high	98.1	Very high	116 Å²	116	56.9 Å²	56.9	75%	0.753	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-21	175.6	-21.2	33.6	0	0	0	114.1	I147	I147-P151 WeakPolarHBondContact O-CD 3.27Å
152	K	97.4	Very high	98.1	Very high	159 Å²	159	57.2 Å²	57.2	69%	0.691	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-31.3	-172.6	-60.4	172.1	-173.9	146.3	0	112.2	D148 L149 L150	D148-K152 WeakPolarHBondContact O-CD 3.28Å; D148-K152 VanDerWaalsContact O-CE 3.23Å; D148-K152 WeakPolarHBondContact O-CE 3.15Å; D148-K152 PolarHBondContact O-NZ 2.9Å; L149-K152 WeakPolarHBondContact O-CB 3.18Å; L149-K152 PolarHBondContact O-N 2.83Å; L150-K152 VanDerWaalsContact C-N 3.28Å; L150-K152 PolarHBondContact O-N 2.83Å
153	E	97.4	Very high	98.1	Very high	67 Å²	67	57.2 Å²	57.2	31%	0.313	29%	0.286	S	S	.	.			trans	-134.9	132	-176.3	178.7	54.5	-101.2	0	0	110.9	L149 N155 T158 V159	L149-E153 PolarHBondContact O-N 2.84Å; L149-E153 VanDerWaalsContact O-N 3.07Å; E153-N155 PolarHBondContact OE1-N 3.48Å; E153-T158 HydrophobicContact CG-CG2 3.91Å; E153-V159 HydrophobicContact CB-CG2 3.78Å; E153-V159 HydrophobicContact CG-CG2 3.84Å; E153-V159 WeakPolarHBondContact O-CG2 3.26Å
154	K	95.3	Very high	98.1	Very high	175 Å²	175	54.7 Å²	54.7	76%	0.761	27%	0.274	S	S	*	.	S	Bend	trans	-92.8	-24.5	-179	-67	-173.1	179.3	-177.8	0	112.4	L156 R196	K154-L156 PolarHBondContact O-N 3.47Å; K154-R196 PolarHBondContact O-NH1 3.25Å; K154-R196 PolarHBondContact O-NH2 3.4Å
155	N	98	Very high	98.1	Very high	62 Å²	62	52.1 Å²	52.1	33%	0.332	27%	0.266	S	S	.	.			trans	-79.1	110.5	175.3	-173.2	-8.2	0	0	0	109.9	E153 E157 T158 V159	E153-N155 PolarHBondContact OE1-N 3.48Å; N155-E157 PolarHBondContact O-N 2.82Å; N155-E157 WeakPolarHBondContact OD1-CB 3.49Å; N155-E157 PolarHBondContact OD1-N 2.92Å; N155-T158 WeakPolarHBondContact O-CB 3.48Å; N155-T158 PolarHBondContact O-N 2.82Å; N155-T158 VanDerWaalsContact O-N 3.11Å; N155-V159 WeakPolarHBondContact O-CG2 3.44Å; N155-V159 PolarHBondContact O-N 2.77Å
156	L	98.3	Very high	98.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-27.8	-178.4	-58.6	179.3	0	0	0	113	L150 K154 V159 L160 L194 R196 V202	L150-L156 HydrophobicContact CD2-CD2 3.83Å; K154-L156 PolarHBondContact O-N 3.47Å; L156-V159 PolarHBondContact O-N 2.95Å; L156-L160 WeakPolarHBondContact O-CG 3.32Å; L156-L160 PolarHBondContact O-N 3.33Å; L156-L194 HydrophobicContact CD1-CB 4.37Å; L156-L194 HydrophobicContact CD2-CD1 4.34Å; L156-R196 HydrophobicContact CD1-CB 3.69Å; L156-V202 HydrophobicContact CB-CB 4.01Å; L156-V202 HydrophobicContact CB-CG1 4.29Å; L156-V202 HydrophobicContact CB-CG2 3.81Å; L156-V202 HydrophobicContact CD1-CG2 4.09Å
157	E	98.6	Very high	98.1	Very high	48 Å²	48	56.4 Å²	56.4	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-46.1	174.1	-66	177.8	117.4	0	0	110	N155 L160 I161 V202 T280 R282	N155-E157 PolarHBondContact O-N 2.82Å; N155-E157 WeakPolarHBondContact OD1-CB 3.49Å; N155-E157 PolarHBondContact OD1-N 2.92Å; E157-L160 PolarHBondContact O-N 2.85Å; E157-I161 WeakPolarHBondContact O-CD1 3.24Å; E157-I161 VanDerWaalsContact O-CG1 3.28Å; E157-I161 WeakPolarHBondContact O-CG1 3.36Å; E157-I161 PolarHBondContact O-N 2.77Å; E157-V202 HydrophobicContact CB-CG1 4.41Å; E157-V202 HydrophobicContact CG-CG1 3.55Å; E157-T280 HydrophobicContact CB-CG2 4.37Å; E157-R282 HydrophobicContact CG-CB 4.19Å
158	T	98.5	Very high	98.2	Very high	48 Å²	48	54.2 Å²	54.2	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-65.5	-41.8	175.4	-50.9	0	0	0	0	111.6	E153 N155 L160 I161 L162	E153-T158 HydrophobicContact CG-CG2 3.91Å; N155-T158 WeakPolarHBondContact O-CB 3.48Å; N155-T158 PolarHBondContact O-N 2.82Å; N155-T158 VanDerWaalsContact O-N 3.11Å; T158-L160 VanDerWaalsContact C-N 3.32Å; T158-L160 PolarHBondContact O-N 3.03Å; T158-I161 PolarHBondContact O-N 3.03Å; T158-L162 HydrophobicContact CG2-CD1 4.05Å; T158-L162 HydrophobicContact CG2-CG 4.31Å; T158-L162 WeakPolarHBondContact O-CB 3.41Å; T158-L162 VanDerWaalsContact O-CG 3.3Å; T158-L162 WeakPolarHBondContact O-CG 3.49Å; T158-L162 PolarHBondContact O-N 2.87Å
159	V	98.6	Very high	98.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-55.1	-49	175.4	170.6	0	0	0	0	110.5	I146 L149 L150 E153 N155 L156 L162 A163	I146-V159 HydrophobicContact CG2-CG1 4.13Å; L149-V159 HydrophobicContact CB-CG1 3.98Å; L150-V159 HydrophobicContact CD2-CG1 4.42Å; E153-V159 HydrophobicContact CB-CG2 3.78Å; E153-V159 HydrophobicContact CG-CG2 3.84Å; E153-V159 WeakPolarHBondContact O-CG2 3.26Å; N155-V159 WeakPolarHBondContact O-CG2 3.44Å; N155-V159 PolarHBondContact O-N 2.77Å; L156-V159 PolarHBondContact O-N 2.95Å; V159-L162 PolarHBondContact O-N 3.28Å; V159-A163 VanDerWaalsContact O-CB 3.29Å; V159-A163 WeakPolarHBondContact O-CB 3.27Å; V159-A163 PolarHBondContact O-N 2.79Å
160	L	98.8	Very high	98.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.6	-40.3	-179.1	-71.9	171.7	0	0	0	112.5	I146 L156 E157 T158 L162 A163 F164 V192 L194 V202 A204	I146-L160 HydrophobicContact CD1-CD2 3.95Å; I146-L160 HydrophobicContact CG1-CD2 4.49Å; L156-L160 WeakPolarHBondContact O-CG 3.32Å; L156-L160 PolarHBondContact O-N 3.33Å; E157-L160 PolarHBondContact O-N 2.85Å; T158-L160 VanDerWaalsContact C-N 3.32Å; T158-L160 PolarHBondContact O-N 3.03Å; L160-L162 VanDerWaalsContact C-N 3.33Å; L160-L162 PolarHBondContact O-N 3.17Å; L160-A163 PolarHBondContact O-N 3.06Å; L160-F164 HydrophobicContact CD2-CE2 4.42Å; L160-F164 WeakPolarHBondContact O-CD2 3.37Å; L160-F164 PolarHBondContact O-N 2.74Å; L160-V192 HydrophobicContact CD2-CB 4.22Å; L160-V192 HydrophobicContact CD2-CG1 3.71Å; L160-L194 HydrophobicContact CD1-CD1 4.12Å; L160-L194 HydrophobicContact CD1-CG 4.16Å; L160-L194 HydrophobicContact CD2-CD1 3.74Å; L160-L194 HydrophobicContact CD2-CG 3.97Å; L160-L194 HydrophobicContact CG-CD1 3.82Å; L160-L194 HydrophobicContact CG-CG 4.28Å; L160-V202 HydrophobicContact CD1-CB 4.48Å; L160-V202 HydrophobicContact CD1-CG1 3.92Å; L160-A204 HydrophobicContact CB-CB 3.53Å; L160-A204 HydrophobicContact CD1-CB 3.6Å; L160-A204 HydrophobicContact CD2-CB 4.49Å; L160-A204 HydrophobicContact CG-CB 4.06Å
161	I	98.8	Very high	98.2	Very high	45 Å²	45	55.8 Å²	55.8	23%	0.231	28%	0.281	C	S	.	.	H	α-helix	trans	-58.3	-47.9	174.7	-69.9	162.7	0	0	0	110.5	E157 T158 L165 E277 P278 T280	E157-I161 WeakPolarHBondContact O-CD1 3.24Å; E157-I161 VanDerWaalsContact O-CG1 3.28Å; E157-I161 WeakPolarHBondContact O-CG1 3.36Å; E157-I161 PolarHBondContact O-N 2.77Å; T158-I161 PolarHBondContact O-N 3.03Å; I161-L165 HydrophobicContact CG2-CD1 4.16Å; I161-L165 VanDerWaalsContact O-CG 3.32Å; I161-L165 WeakPolarHBondContact O-CG 3.38Å; I161-L165 PolarHBondContact O-N 2.84Å; I161-E277 HydrophobicContact CG2-CG 4.49Å; I161-P278 HydrophobicContact CB-CG 4.45Å; I161-P278 HydrophobicContact CG1-CG 3.97Å; I161-T280 HydrophobicContact CD1-CG2 4.09Å; I161-T280 HydrophobicContact CG1-CG2 3.81Å
162	L	98.7	Very high	98.2	Very high	79 Å²	79	51.4 Å²	51.4	41%	0.414	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-41.5	177.9	-67.8	176.2	0	0	0	111.8	L149 T158 V159 L160 L165 E166	L149-L162 HydrophobicContact CD1-CB 3.97Å; L149-L162 HydrophobicContact CD2-CB 4.39Å; L149-L162 HydrophobicContact CD2-CD1 4.4Å; T158-L162 HydrophobicContact CG2-CD1 4.05Å; T158-L162 HydrophobicContact CG2-CG 4.31Å; T158-L162 WeakPolarHBondContact O-CB 3.41Å; T158-L162 VanDerWaalsContact O-CG 3.3Å; T158-L162 WeakPolarHBondContact O-CG 3.49Å; T158-L162 PolarHBondContact O-N 2.87Å; V159-L162 PolarHBondContact O-N 3.28Å; L160-L162 VanDerWaalsContact C-N 3.33Å; L160-L162 PolarHBondContact O-N 3.17Å; L162-L165 PolarHBondContact O-N 3.19Å; L162-E166 WeakPolarHBondContact O-CB 3.17Å; L162-E166 PolarHBondContact O-N 2.68Å
163	A	98.7	Very high	98.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-45.6	179.5	0	0	0	0	0	111.9	M142 I146 L149 V159 L160 L165 E166 I167	M142-A163 HydrophobicContact SD-CB 4.24Å; I146-A163 HydrophobicContact CG1-CB 3.92Å; L149-A163 HydrophobicContact CD1-CB 3.87Å; V159-A163 VanDerWaalsContact O-CB 3.29Å; V159-A163 WeakPolarHBondContact O-CB 3.27Å; V159-A163 PolarHBondContact O-N 2.79Å; L160-A163 PolarHBondContact O-N 3.06Å; A163-L165 PolarHBondContact O-N 3.29Å; A163-E166 PolarHBondContact O-N 3.02Å; A163-I167 WeakPolarHBondContact O-CB 3.49Å; A163-I167 PolarHBondContact O-N 3.38Å
164	F	98.8	Very high	98.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.2	-44.7	178.8	-84.7	-127.3	0	0	0	111.6	M142 L160 D168 A190 V192 A204 V206 I264 P278	M142-F164 HydrophobicContact CE-CD2 4.26Å; M142-F164 HydrophobicContact CE-CE2 4.25Å; M142-F164 HydrophobicContact SD-CD2 4.5Å; L160-F164 HydrophobicContact CD2-CE2 4.42Å; L160-F164 WeakPolarHBondContact O-CD2 3.37Å; L160-F164 PolarHBondContact O-N 2.74Å; F164-D168 WeakPolarHBondContact O-CB 3.29Å; F164-D168 PolarHBondContact O-N 3.36Å; F164-A190 HydrophobicContact CD1-CB 4.41Å; F164-A190 HydrophobicContact CE1-CB 3.62Å; F164-A190 HydrophobicContact CZ-CB 3.91Å; F164-V192 HydrophobicContact CE2-CB 3.98Å; F164-V192 HydrophobicContact CE2-CG2 3.75Å; F164-V192 HydrophobicContact CZ-CB 4.12Å; F164-V192 HydrophobicContact CZ-CG2 3.78Å; F164-A204 HydrophobicContact CE2-CB 3.96Å; F164-A204 HydrophobicContact CZ-CB 4Å; F164-V206 HydrophobicContact CD1-CG1 4.1Å; F164-V206 HydrophobicContact CD1-CG2 4.16Å; F164-V206 HydrophobicContact CE1-CG1 4.32Å; F164-V206 HydrophobicContact CE1-CG2 4.04Å; F164-I264 HydrophobicContact CD1-CD1 4.18Å; F164-P278 HydrophobicContact CB-CG 3.99Å; F164-P278 HydrophobicContact CD1-CB 3.66Å; F164-P278 HydrophobicContact CD1-CG 3.83Å; F164-P278 HydrophobicContact CD2-CG 4.25Å; F164-P278 HydrophobicContact CE1-CB 3.8Å; F164-P278 HydrophobicContact CE1-CG 4.34Å; F164-P278 HydrophobicContact CG-CB 4.13Å; F164-P278 HydrophobicContact CG-CG 3.77Å; F164-P278 HydrophobicContact CZ-CB 4.38Å
165	L	98.8	Very high	98.1	Very high	72 Å²	72	39.9 Å²	39.9	38%	0.377	21%	0.212	S	C	.	.	H	α-helix	trans	-67.5	-39.8	178.8	-65.6	176	0	0	0	112.3	I161 L162 A163 K169 E277	I161-L165 HydrophobicContact CG2-CD1 4.16Å; I161-L165 VanDerWaalsContact O-CG 3.32Å; I161-L165 WeakPolarHBondContact O-CG 3.38Å; I161-L165 PolarHBondContact O-N 2.84Å; L162-L165 PolarHBondContact O-N 3.19Å; A163-L165 PolarHBondContact O-N 3.29Å; L165-K169 WeakPolarHBondContact O-CB 3.32Å; L165-K169 PolarHBondContact O-N 2.98Å; L165-K169 VanDerWaalsContact O-N 3.07Å; L165-E277 HydrophobicContact CD2-CB 4.22Å
166	E	98.5	Very high	97.9	Very high	105 Å²	105	45 Å²	45	49%	0.491	23%	0.227	S	C	.	.	H	α-helix	trans	-69.6	-39.6	178.5	-165	67.3	-155.8	0	0	111.1	L162 A163 K169 A170	L162-E166 WeakPolarHBondContact O-CB 3.17Å; L162-E166 PolarHBondContact O-N 2.68Å; A163-E166 PolarHBondContact O-N 3.02Å; E166-K169 PolarHBondContact O-N 3.36Å; E166-A170 WeakPolarHBondContact O-CB 3.44Å; E166-A170 PolarHBondContact O-N 2.81Å
167	I	98.4	Very high	97.8	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-65	-43.4	174.5	-102.6	-175.1	0	0	0	112.1	H141 M142 C145 A163 K169 A170 F171 I264	H141-I167 HydrophobicContact CB-CD1 4.19Å; M142-I167 HydrophobicContact CB-CD1 3.78Å; M142-I167 HydrophobicContact CE-CD1 3.67Å; M142-I167 HydrophobicContact CE-CG2 4.35Å; M142-I167 HydrophobicContact CG-CD1 4.39Å; M142-I167 HydrophobicContact SD-CD1 3.8Å; C145-I167 HydrophobicContact CB-CD1 4.49Å; C145-I167 HydrophobicContact CB-CG1 4.41Å; A163-I167 WeakPolarHBondContact O-CB 3.49Å; A163-I167 PolarHBondContact O-N 3.38Å; I167-K169 VanDerWaalsContact C-N 3.3Å; I167-K169 PolarHBondContact O-N 3.41Å; I167-A170 PolarHBondContact O-N 2.95Å; I167-F171 WeakPolarHBondContact O-CB 3.43Å; I167-F171 PolarHBondContact O-N 2.69Å; I167-I264 HydrophobicContact CG2-CD1 3.84Å; I167-I264 HydrophobicContact CG2-CG2 3.78Å
168	D	98.6	Very high	97.5	Very high	22 Å²	22	52.4 Å²	52.4	12%	0.118	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-40.7	178.8	-176.2	67.7	0	0	0	111.1	F164 F171 S172 I264 G265 K270 A276	F164-D168 WeakPolarHBondContact O-CB 3.29Å; F164-D168 PolarHBondContact O-N 3.36Å; D168-F171 PolarHBondContact O-N 2.63Å; D168-S172 VanDerWaalsContact O-CB 3.32Å; D168-S172 WeakPolarHBondContact O-CB 3.45Å; D168-S172 PolarHBondContact O-N 2.79Å; D168-I264 HydrophobicContact CB-CG2 4.15Å; D168-G265 PolarHBondContact OD1-N 2.99Å; D168-K270 VanDerWaalsContact CG-CE 3.49Å; D168-K270 WeakPolarHBondContact OD1-CE 3.39Å; D168-K270 IonicContact OD1-NZ 2.93Å; D168-K270 WeakPolarHBondContact OD2-CE 3.47Å; D168-A276 HydrophobicContact CB-CB 3.47Å; D168-A276 VanDerWaalsContact CB-CB 3.47Å; D168-A276 VanDerWaalsContact CG-CB 3.4Å
169	K	98.4	Very high	97.1	Very high	127 Å²	127	55.3 Å²	55.3	55%	0.552	30%	0.3	S	S	*	.	H	α-helix	trans	-63.5	-42.2	173.7	-178.2	-174.6	171.9	-163.3	0	112.2	L165 E166 I167 S173	L165-K169 WeakPolarHBondContact O-CB 3.32Å; L165-K169 PolarHBondContact O-N 2.98Å; L165-K169 VanDerWaalsContact O-N 3.07Å; E166-K169 PolarHBondContact O-N 3.36Å; I167-K169 VanDerWaalsContact C-N 3.3Å; I167-K169 PolarHBondContact O-N 3.41Å; K169-S173 PolarHBondContact O-N 3.41Å; K169-S173 VanDerWaalsContact O-N 3.07Å; K169-S173 PolarHBondContact O-OG 3.06Å
170	A	98.2	Very high	96.7	Very high	40 Å²	40	58.9 Å²	58.9	33%	0.331	32%	0.319	S	S	.	.	H	α-helix	trans	-65.6	-45.4	177.5	0	0	0	0	0	111.4	F137 E166 I167 S173 H174	F137-A170 HydrophobicContact CE1-CB 3.97Å; F137-A170 HydrophobicContact CZ-CB 3.87Å; E166-A170 WeakPolarHBondContact O-CB 3.44Å; E166-A170 PolarHBondContact O-N 2.81Å; I167-A170 PolarHBondContact O-N 2.95Å; A170-S173 WeakPolarHBondContact O-CB 3.36Å; A170-S173 PolarHBondContact O-N 3.36Å; A170-H174 PolarHBondContact O-N 3.28Å
171	F	98.3	Very high	96.4	Very high	1 Å²	1	62.3 Å²	62.3	0%	0.004	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-44.3	175.4	179.9	-105.4	0	0	0	111.5	A133 A134 F137 I167 D168 S173 H174 A175 L267	A133-F171 HydrophobicContact CB-CE2 4.48Å; A134-F171 HydrophobicContact CB-CE1 3.92Å; A134-F171 HydrophobicContact CB-CE2 4.04Å; A134-F171 HydrophobicContact CB-CZ 3.64Å; F137-F171 HydrophobicContact CB-CD2 3.71Å; F137-F171 HydrophobicContact CB-CE2 4.21Å; F137-F171 HydrophobicContact CD1-CB 3.74Å; F137-F171 AromaticContact CD1-CD2 3.99Å; F137-F171 HydrophobicContact CD1-CD2 3.99Å; F137-F171 HydrophobicContact CD1-CG 4.32Å; F137-F171 HydrophobicContact CD2-CD2 4.04Å; F137-F171 HydrophobicContact CE1-CB 3.83Å; F137-F171 HydrophobicContact CG-CB 4.27Å; F137-F171 AromaticContact CG-CD2 3.64Å; F137-F171 HydrophobicContact CG-CD2 3.64Å; F137-F171 HydrophobicContact CG-CG 4.41Å; F137-F171 HydrophobicContact CZ-CB 4.42Å; I167-F171 WeakPolarHBondContact O-CB 3.43Å; I167-F171 PolarHBondContact O-N 2.69Å; D168-F171 PolarHBondContact O-N 2.63Å; F171-S173 PolarHBondContact O-N 2.76Å; F171-H174 CarbonylContact O-C 3.53Å; F171-H174 WeakPolarHBondContact O-CB 3.5Å; F171-H174 PolarHBondContact O-N 3.4Å; F171-H174 VanDerWaalsContact O-N 3.09Å; F171-A175 HydrophobicContact CE1-CB 4.37Å; F171-A175 HydrophobicContact CZ-CB 4.4Å; F171-A175 WeakPolarHBondContact O-CB 3.29Å; F171-A175 PolarHBondContact O-N 2.94Å; F171-L267 HydrophobicContact CD1-CD1 4.09Å; F171-L267 HydrophobicContact CE1-CD1 4.01Å
172	S	97.6	Very high	96	Very high	25 Å²	25	63.8 Å²	63.8	18%	0.175	36%	0.358	C	S	.	.	H	α-helix	trans	-58.8	-38.8	176	163.8	0	0	0	0	112	D168 R176	D168-S172 VanDerWaalsContact O-CB 3.32Å; D168-S172 WeakPolarHBondContact O-CB 3.45Å; D168-S172 PolarHBondContact O-N 2.79Å; S172-R176 WeakPolarHBondContact O-CB 3.41Å; S172-R176 WeakPolarHBondContact O-CD 3.17Å; S172-R176 WeakPolarHBondContact O-CG 3.43Å; S172-R176 PolarHBondContact O-N 3.48Å; S172-R176 VanDerWaalsContact O-N 3.12Å; S172-R176 PolarHBondContact OG-NE 3.21Å
173	S	97.3	Very high	95.8	Very high	61 Å²	61	60.7 Å²	60.7	43%	0.427	34%	0.342	S	S	.	.	H	α-helix	trans	-67.5	-43.2	175.4	-55.3	0	0	0	0	111.4	K169 A170 F171 L177	K169-S173 PolarHBondContact O-N 3.41Å; K169-S173 VanDerWaalsContact O-N 3.07Å; K169-S173 PolarHBondContact O-OG 3.06Å; A170-S173 WeakPolarHBondContact O-CB 3.36Å; A170-S173 PolarHBondContact O-N 3.36Å; F171-S173 PolarHBondContact O-N 2.76Å; S173-L177 WeakPolarHBondContact O-CB 3.2Å; S173-L177 VanDerWaalsContact O-CG 3.26Å; S173-L177 WeakPolarHBondContact O-CG 3.17Å; S173-L177 PolarHBondContact O-N 3.2Å
174	H	95.6	Very high	95.6	Very high	96 Å²	96	63.9 Å²	63.9	44%	0.444	36%	0.359	S	S	.	.	H	α-helix	trans	-61	-49.9	176.1	179	71.7	0	0	0	112.2	F137 A170 F171 R176 L177 S178	F137-H174 HydrophobicContact CE2-CB 3.95Å; A170-H174 PolarHBondContact O-N 3.28Å; F171-H174 CarbonylContact O-C 3.53Å; F171-H174 WeakPolarHBondContact O-CB 3.5Å; F171-H174 PolarHBondContact O-N 3.4Å; F171-H174 VanDerWaalsContact O-N 3.09Å; H174-R176 PolarHBondContact O-N 3.04Å; H174-L177 PolarHBondContact O-N 2.93Å; H174-S178 PolarHBondContact O-N 3.17Å
175	A	95.5	Very high	95.4	Very high	2 Å²	2	66.5 Å²	66.5	2%	0.017	38%	0.375	C	S	.	.	H	α-helix	trans	-61	-40.9	179.7	0	0	0	0	0	112.7	F171 L177 S178 L183 L184 L267	F171-A175 HydrophobicContact CE1-CB 4.37Å; F171-A175 HydrophobicContact CZ-CB 4.4Å; F171-A175 WeakPolarHBondContact O-CB 3.29Å; F171-A175 PolarHBondContact O-N 2.94Å; A175-L177 VanDerWaalsContact C-N 3.34Å; A175-L177 PolarHBondContact O-N 3.21Å; A175-S178 PolarHBondContact O-N 3.02Å; A175-L183 HydrophobicContact CB-CB 3.81Å; A175-L184 HydrophobicContact CB-CD2 4.45Å; A175-L267 HydrophobicContact CB-CD1 4.47Å; A175-L267 HydrophobicContact CB-CD2 4.01Å
176	R	94	Very high	95.4	Very high	169 Å²	169	63.1 Å²	63.1	64%	0.638	36%	0.357	S	S	*	.	H	α-helix	trans	-71.2	-26.4	178.9	-72.1	169.8	-172.8	-97	-1	113.9	S172 H174 L184 L267	S172-R176 WeakPolarHBondContact O-CB 3.41Å; S172-R176 WeakPolarHBondContact O-CD 3.17Å; S172-R176 WeakPolarHBondContact O-CG 3.43Å; S172-R176 PolarHBondContact O-N 3.48Å; S172-R176 VanDerWaalsContact O-N 3.12Å; S172-R176 PolarHBondContact OG-NE 3.21Å; H174-R176 PolarHBondContact O-N 3.04Å; R176-L184 HydrophobicContact CG-CD2 4.29Å; R176-L267 HydrophobicContact CG-CD2 3.93Å
177	L	94.2	Very high	95.4	Very high	155 Å²	155	58.1 Å²	58.1	81%	0.812	33%	0.334	S	S	*	.	H	α-helix	trans	-90.5	-17.8	179.2	-68.7	174	0	0	0	112.6	S173 H174 A175	S173-L177 WeakPolarHBondContact O-CB 3.2Å; S173-L177 VanDerWaalsContact O-CG 3.26Å; S173-L177 WeakPolarHBondContact O-CG 3.17Å; S173-L177 PolarHBondContact O-N 3.2Å; H174-L177 PolarHBondContact O-N 2.93Å; A175-L177 VanDerWaalsContact C-N 3.34Å; A175-L177 PolarHBondContact O-N 3.21Å
178	S	92.3	Very high	95.4	Very high	48 Å²	48	57.9 Å²	57.9	34%	0.336	33%	0.333	S	S	.	.	S	Bend	trans	-68.5	147.5	175.4	-172.2	0	0	0	0	111.4	H174 A175 D180	H174-S178 PolarHBondContact O-N 3.17Å; A175-S178 PolarHBondContact O-N 3.02Å; S178-D180 PolarHBondContact OG-N 2.91Å
179	A	90.5	Very high	95.4	Very high	109 Å²	109	56.8 Å²	56.8	90%	0.901	33%	0.327	S	S	*	.	S	Bend	trans	-73.2	-19.4	170.7	0	0	0	0	0	112.2	A181	A179-A181 PolarHBondContact O-N 2.82Å
180	D	91	Very high	95.4	Very high	75 Å²	75	50.8 Å²	50.8	40%	0.401	30%	0.301	S	S	.	.			trans	-84.5	105.7	-179.9	-176	0.4	0	0	0	110.8	S178 T182 L183	S178-D180 PolarHBondContact OG-N 2.91Å; D180-T182 PolarHBondContact O-N 2.86Å; D180-T182 WeakPolarHBondContact OD1-CB 3.36Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.34Å; D180-T182 PolarHBondContact OD1-N 2.81Å; D180-T182 PolarHBondContact OD1-OG1 3.41Å; D180-T182 PolarHBondContact OD2-OG1 3.13Å; D180-L183 HydrophobicContact CB-CD1 3.85Å; D180-L183 PolarHBondContact O-N 3.39Å; D180-L183 WeakPolarHBondContact OD2-CD1 3.29Å
181	A	91.3	Very high	95.5	Very high	72 Å²	72	48.9 Å²	48.9	60%	0.595	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-67.8	-16.9	-179.5	0	0	0	0	0	113.5	A179 L183 L184	A179-A181 PolarHBondContact O-N 2.82Å; A181-L183 PolarHBondContact O-N 2.94Å; A181-L184 WeakPolarHBondContact O-CB 3.26Å; A181-L184 PolarHBondContact O-N 3.39Å
182	T	92.1	Very high	95.5	Very high	77 Å²	77	48.8 Å²	48.8	47%	0.472	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-66.1	-26	179.2	67	0	0	0	0	112.1	D180 L184 T185 S186	D180-T182 PolarHBondContact O-N 2.86Å; D180-T182 WeakPolarHBondContact OD1-CB 3.36Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.34Å; D180-T182 PolarHBondContact OD1-N 2.81Å; D180-T182 PolarHBondContact OD1-OG1 3.41Å; D180-T182 PolarHBondContact OD2-OG1 3.13Å; T182-L184 PolarHBondContact O-N 2.91Å; T182-T185 CarbonylContact O-C 3.6Å; T182-T185 PolarHBondContact O-N 3.42Å; T182-T185 PolarHBondContact O-OG1 2.95Å; T182-S186 PolarHBondContact O-N 3.17Å; T182-S186 VanDerWaalsContact O-N 3.11Å
183	L	93.8	Very high	95.5	Very high	13 Å²	13	47.6 Å²	47.6	7%	0.068	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-62.5	-23.9	176	-84.6	61.6	0	0	0	113	A133 A175 D180 A181 T185 S186	A133-L183 HydrophobicContact CB-CD1 4.16Å; A133-L183 HydrophobicContact CB-CG 3.91Å; A175-L183 HydrophobicContact CB-CB 3.81Å; D180-L183 HydrophobicContact CB-CD1 3.85Å; D180-L183 PolarHBondContact O-N 3.39Å; D180-L183 WeakPolarHBondContact OD2-CD1 3.29Å; A181-L183 PolarHBondContact O-N 2.94Å; L183-T185 PolarHBondContact O-N 2.91Å; L183-S186 PolarHBondContact O-N 3.33Å
184	L	93.9	Very high	95.6	Very high	68 Å²	68	44.7 Å²	44.7	36%	0.356	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-66.1	-26.1	175.9	-59.7	178.3	0	0	0	111.9	A175 R176 A181 T182 L267	A175-L184 HydrophobicContact CB-CD2 4.45Å; R176-L184 HydrophobicContact CG-CD2 4.29Å; A181-L184 WeakPolarHBondContact O-CB 3.26Å; A181-L184 PolarHBondContact O-N 3.39Å; T182-L184 PolarHBondContact O-N 2.91Å; L184-L267 HydrophobicContact CD2-CD2 3.76Å; L184-L267 PolarHBondContact O-N 3.26Å; L184-L267 VanDerWaalsContact O-N 3.13Å
185	T	95.6	Very high	95.8	Very high	54 Å²	54	40.1 Å²	40.1	33%	0.331	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-1.8	178.9	55.1	0	0	0	0	113.3	T182 L183 R257	T182-T185 CarbonylContact O-C 3.6Å; T182-T185 PolarHBondContact O-N 3.42Å; T182-T185 PolarHBondContact O-OG1 2.95Å; L183-T185 PolarHBondContact O-N 2.91Å; T185-R257 VanDerWaalsContact CA-NH2 3.31Å; T185-R257 VanDerWaalsContact CB-NH2 3.28Å; T185-R257 PolarHBondContact O-NH2 2.91Å
186	S	97.9	Very high	95.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	24%	0.243	C	C	.	.			trans	-75.5	135.8	172.4	179.2	0	0	0	0	109.2	H129 G130 G131 A134 T182 L183 D266	H129-S186 WeakPolarHBondContact O-CA 3.38Å; G130-S186 WeakPolarHBondContact O-CA 3.42Å; G131-S186 PolarHBondContact O-OG 2.64Å; A134-S186 WeakPolarHBondContact CB-OG 3.13Å; A134-S186 PolarHBondContact N-OG 2.68Å; T182-S186 PolarHBondContact O-N 3.17Å; T182-S186 VanDerWaalsContact O-N 3.11Å; L183-S186 PolarHBondContact O-N 3.33Å; S186-D266 PolarHBondContact O-N 2.82Å
187	G	98.6	Very high	96	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	169.1	176.5	0	0	0	0	0	110.7	H129 I264	H129-G187 VanDerWaalsContact CE1-C 3.47Å; H129-G187 PolarHBondContact N-O 2.72Å; H129-G187 WeakPolarHBondContact NE2-CA 3.33Å; H129-G187 PolarHBondContact O-N 3.31Å; G187-I264 CarbonylContact C-O 3.57Å; G187-I264 VanDerWaalsContact CA-O 3.24Å; G187-I264 WeakPolarHBondContact CA-O 3.35Å
188	T	98.8	Very high	96	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	149.2	176.3	-168.5	0	0	0	0	111.3	D127 A134 A135 I264	D127-T188 VanDerWaalsContact C-OG1 3.24Å; D127-T188 PolarHBondContact N-OG1 3.47Å; D127-T188 CarbonylContact O-C 3.58Å; D127-T188 WeakPolarHBondContact O-CA 3.41Å; D127-T188 WeakPolarHBondContact O-CB 3.43Å; D127-T188 PolarHBondContact O-OG1 3.16Å; A134-T188 HydrophobicContact CB-CG2 3.94Å; A135-T188 WeakPolarHBondContact CB-OG1 3.45Å; T188-I264 HydrophobicContact CG2-CB 4.06Å; T188-I264 PolarHBondContact N-O 3.07Å; T188-I264 PolarHBondContact O-N 2.95Å
189	T	98.7	Very high	96.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.167	C	C	.	.			trans	-68	159.7	158.4	76	0	0	0	0	109.4	Y126 D127 V206 S209 M260	Y126-T189 WeakPolarHBondContact CA-O 3.39Å; D127-T189 HydrophobicContact CB-CG2 3.87Å; D127-T189 WeakPolarHBondContact CB-OG1 3.12Å; D127-T189 PolarHBondContact N-OG1 2.68Å; D127-T189 PolarHBondContact O-N 2.74Å; T189-V206 WeakPolarHBondContact CA-O 3.38Å; T189-V206 WeakPolarHBondContact CB-O 3.36Å; T189-S209 WeakPolarHBondContact OG1-CB 3.1Å; T189-S209 PolarHBondContact OG1-OG 2.85Å; T189-M260 HydrophobicContact CG2-CE 3.52Å; T189-M260 HydrophobicContact CG2-SD 3.7Å
190	A	98.8	Very high	96.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	122.1	168.1	0	0	0	0	0	107.9	Y126 F164 S205 V206 I264	Y126-A190 HydrophobicContact CD1-CB 3.7Å; Y126-A190 HydrophobicContact CE1-CB 3.76Å; F164-A190 HydrophobicContact CD1-CB 4.41Å; F164-A190 HydrophobicContact CE1-CB 3.62Å; F164-A190 HydrophobicContact CZ-CB 3.91Å; A190-S205 CarbonylContact O-C 3.48Å; A190-S205 WeakPolarHBondContact O-CA 3.5Å; A190-V206 HydrophobicContact CB-CG2 4.13Å; A190-V206 PolarHBondContact N-O 3.05Å; A190-V206 PolarHBondContact O-N 2.95Å; A190-I264 HydrophobicContact CB-CD1 3.64Å; A190-I264 HydrophobicContact CB-CG1 4.36Å
191	T	98.9	Very high	96.8	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	110.8	169.9	-64	0	0	0	0	108	A124 V125 V203 A204 S205 S209 A211 T223 L295	A124-T191 VanDerWaalsContact CA-O 3.26Å; A124-T191 WeakPolarHBondContact CA-O 3.42Å; V125-T191 PolarHBondContact N-O 3.45Å; V125-T191 PolarHBondContact O-N 3.24Å; T191-V203 HydrophobicContact CG2-CG1 4.15Å; T191-A204 WeakPolarHBondContact CA-O 3.28Å; T191-S205 WeakPolarHBondContact OG1-CB 3.37Å; T191-S209 WeakPolarHBondContact OG1-CB 3.41Å; T191-S209 PolarHBondContact OG1-O 2.88Å; T191-A211 HydrophobicContact CG2-CB 3.85Å; T191-T223 HydrophobicContact CG2-CG2 4.07Å; T191-L295 HydrophobicContact CG2-CD2 4.15Å
192	V	98.9	Very high	97.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.4	-174	-179.9	0	0	0	0	109.5	Y122 F123 A124 Y126 M142 I146 L160 F164 V203 A204	Y122-V192 HydrophobicContact CD2-CG1 3.69Å; Y122-V192 HydrophobicContact CE2-CG1 3.56Å; Y122-V192 HydrophobicContact CE2-CG2 4.46Å; F123-V192 CarbonylContact O-C 3.59Å; F123-V192 WeakPolarHBondContact O-CA 3.33Å; A124-V192 HydrophobicContact CB-CG2 3.96Å; Y126-V192 HydrophobicContact CE1-CG2 4.21Å; M142-V192 HydrophobicContact CE-CG2 4.31Å; M142-V192 HydrophobicContact CG-CG2 4.35Å; I146-V192 HydrophobicContact CD1-CG1 4.11Å; L160-V192 HydrophobicContact CD2-CB 4.22Å; L160-V192 HydrophobicContact CD2-CG1 3.71Å; F164-V192 HydrophobicContact CE2-CB 3.98Å; F164-V192 HydrophobicContact CE2-CG2 3.75Å; F164-V192 HydrophobicContact CZ-CB 4.12Å; F164-V192 HydrophobicContact CZ-CG2 3.78Å; V192-V203 CarbonylContact O-C 3.57Å; V192-V203 WeakPolarHBondContact O-CA 3.47Å; V192-A204 PolarHBondContact N-O 3.03Å; V192-A204 PolarHBondContact O-N 3.19Å
193	A	98.9	Very high	97.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.1	175.3	0	0	0	0	0	110.4	Y122 F123 L201 V202 V203 L293	Y122-A193 WeakPolarHBondContact CA-O 3.44Å; F123-A193 HydrophobicContact CB-CB 4.33Å; F123-A193 HydrophobicContact CD2-CB 4.39Å; F123-A193 PolarHBondContact N-O 3.46Å; F123-A193 PolarHBondContact O-N 2.81Å; A193-L201 HydrophobicContact CB-CD1 4.07Å; A193-V202 CarbonylContact C-O 3.51Å; A193-V202 WeakPolarHBondContact CA-O 3.43Å; A193-V203 HydrophobicContact CB-CG2 4.08Å; A193-L293 HydrophobicContact CB-CD2 3.85Å
194	L	98.9	Very high	97.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.6	169.5	-63.3	-178.4	0	0	0	109.7	L116 V120 L121 Y122 I146 L156 L160 L201 V202	L116-L194 HydrophobicContact CD1-CD2 4.03Å; V120-L194 HydrophobicContact CG1-CB 4.39Å; V120-L194 HydrophobicContact CG1-CD2 4.08Å; L121-L194 CarbonylContact O-C 3.58Å; L121-L194 WeakPolarHBondContact O-CA 3.49Å; Y122-L194 HydrophobicContact CD2-CD2 4.09Å; I146-L194 HydrophobicContact CD1-CD2 4.27Å; I146-L194 HydrophobicContact CG2-CD1 3.99Å; I146-L194 HydrophobicContact CG2-CD2 4.26Å; L156-L194 HydrophobicContact CD1-CB 4.37Å; L156-L194 HydrophobicContact CD2-CD1 4.34Å; L160-L194 HydrophobicContact CD1-CD1 4.12Å; L160-L194 HydrophobicContact CD1-CG 4.16Å; L160-L194 HydrophobicContact CD2-CD1 3.74Å; L160-L194 HydrophobicContact CD2-CG 3.97Å; L160-L194 HydrophobicContact CG-CD1 3.82Å; L160-L194 HydrophobicContact CG-CG 4.28Å; L194-L201 WeakPolarHBondContact O-CA 3.44Å; L194-V202 PolarHBondContact N-O 2.69Å; L194-V202 PolarHBondContact O-N 2.77Å
195	L	98.6	Very high	98	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	109.1	173.6	179.3	62.8	0	0	0	109.4	I90 V120 L121 F123 E200 L201 L285 F346	I90-L195 HydrophobicContact CG1-CD2 4.02Å; V120-L195 WeakPolarHBondContact CA-O 3.3Å; L121-L195 HydrophobicContact CB-CB 4.29Å; L121-L195 HydrophobicContact CD1-CD2 4.39Å; L121-L195 PolarHBondContact N-O 2.99Å; L121-L195 PolarHBondContact O-N 3.19Å; F123-L195 HydrophobicContact CE2-CB 4.3Å; L195-E200 CarbonylContact C-O 3.54Å; L195-E200 WeakPolarHBondContact CA-O 3.46Å; L195-L201 HydrophobicContact CB-CD1 4.36Å; L195-L201 HydrophobicContact CD1-CB 4.17Å; L195-L285 HydrophobicContact CD1-CD1 3.58Å; L195-L285 HydrophobicContact CD1-CG 4.23Å; L195-L285 HydrophobicContact CD2-CD1 4.16Å; L195-F346 HydrophobicContact CD2-CE1 3.93Å
196	R	97.9	Very high	98.2	Very high	52 Å²	52	4.7 Å²	4.7	20%	0.196	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	138.6	177.1	-178.6	170.7	65.5	-167.8	-1.7	112.4	E119 V120 K154 L156 G198 I199 E200	E119-R196 HydrophobicContact CB-CG 4.38Å; E119-R196 CarbonylContact O-C 3.59Å; E119-R196 WeakPolarHBondContact O-CA 3.47Å; V120-R196 HydrophobicContact CG2-CB 4.26Å; V120-R196 HydrophobicContact CG2-CG 4.19Å; K154-R196 PolarHBondContact O-NH1 3.25Å; K154-R196 PolarHBondContact O-NH2 3.4Å; L156-R196 HydrophobicContact CD1-CB 3.69Å; R196-G198 PolarHBondContact O-N 3.22Å; R196-I199 PolarHBondContact O-N 2.89Å; R196-E200 HydrophobicContact CB-CB 4.34Å; R196-E200 IonicContact CZ-OE1 3.85Å; R196-E200 IonicContact CZ-OE2 3.19Å; R196-E200 PolarHBondContact N-O 3.44Å; R196-E200 IonicContact NE-OE2 3.98Å; R196-E200 PolarHBondContact NE-OE2 3.43Å; R196-E200 IonicContact NH2-OE1 3.18Å; R196-E200 PolarHBondContact NH2-OE1 2.91Å; R196-E200 IonicContact NH2-OE2 3.81Å; R196-E200 PolarHBondContact NH2-OE2 3.02Å; R196-E200 PolarHBondContact O-N 2.56Å
197	D	95.9	Very high	98.2	Very high	13 Å²	13	4.7 Å²	4.7	7%	0.07	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	23.7	-179.8	-59.5	-33.8	0	0	0	113	P79 K82 Y83 E119 I199	P79-D197 HydrophobicContact CB-CB 4.06Å; P79-D197 WeakPolarHBondContact CB-O 3.35Å; P79-D197 HydrophobicContact CG-CB 4.08Å; K82-D197 IonicContact NZ-OD2 3.13Å; K82-D197 PolarHBondContact NZ-OD2 3.23Å; Y83-D197 HydrophobicContact CE2-CB 3.66Å; Y83-D197 WeakPolarHBondContact CE2-OD2 3.17Å; Y83-D197 PolarHBondContact OH-OD2 3.37Å; E119-D197 PolarHBondContact O-N 2.97Å; D197-I199 HydrophobicContact CB-CG2 4.32Å; D197-I199 PolarHBondContact O-N 2.79Å
198	G	94.5	Very high	98.1	Very high	7 Å²	7	4.9 Å²	4.9	7%	0.072	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	11.7	-174.2	0	0	0	0	0	115.2	R196 H287	R196-G198 PolarHBondContact O-N 3.22Å; G198-H287 PolarHBondContact O-CE1 2.89Å; G198-H287 VanDerWaalsContact O-CE1 3.31Å; G198-H287 PolarHBondContact O-NE2 2.91Å
199	I	95.6	Very high	98.1	Very high	9 Å²	9	5 Å²	5	5%	0.046	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140	-28.1	-173.9	-162.1	168.5	0	0	0	115.1	Y83 I87 R196 D197 K284 L285	Y83-I199 HydrophobicContact CD2-CG2 3.87Å; Y83-I199 HydrophobicContact CE1-CG2 4.39Å; Y83-I199 HydrophobicContact CE2-CG2 3.63Å; Y83-I199 HydrophobicContact CG-CG2 4.38Å; I87-I199 HydrophobicContact CD1-CB 4.02Å; I87-I199 HydrophobicContact CD1-CD1 3.89Å; I87-I199 HydrophobicContact CD1-CG2 4.15Å; I87-I199 HydrophobicContact CG1-CD1 4.21Å; R196-I199 PolarHBondContact O-N 2.89Å; D197-I199 HydrophobicContact CB-CG2 4.32Å; D197-I199 PolarHBondContact O-N 2.79Å; I199-K284 HydrophobicContact CD1-CD 4.44Å; I199-K284 HydrophobicContact CD1-CG 4.23Å; I199-K284 HydrophobicContact CG1-CG 3.84Å; I199-K284 CarbonylContact O-C 3.55Å; I199-K284 WeakPolarHBondContact O-CA 3.37Å; I199-L285 HydrophobicContact CG1-CB 4.48Å; I199-L285 PolarHBondContact O-N 2.72Å
200	E	97.7	Very high	98.1	Very high	13 Å²	13	6.9 Å²	6.9	6%	0.061	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	103.9	180	178.5	-179.8	-165	0	0	109.5	L195 R196 V202 R282	L195-E200 CarbonylContact C-O 3.54Å; L195-E200 WeakPolarHBondContact CA-O 3.46Å; R196-E200 HydrophobicContact CB-CB 4.34Å; R196-E200 IonicContact CZ-OE1 3.85Å; R196-E200 IonicContact CZ-OE2 3.19Å; R196-E200 PolarHBondContact N-O 3.44Å; R196-E200 IonicContact NE-OE2 3.98Å; R196-E200 PolarHBondContact NE-OE2 3.43Å; R196-E200 IonicContact NH2-OE1 3.18Å; R196-E200 PolarHBondContact NH2-OE1 2.91Å; R196-E200 IonicContact NH2-OE2 3.81Å; R196-E200 PolarHBondContact NH2-OE2 3.02Å; R196-E200 PolarHBondContact O-N 2.56Å; E200-V202 HydrophobicContact CG-CG2 4.38Å; E200-R282 IonicContact OE1-CZ 2.63Å; E200-R282 IonicContact OE1-NE 3.72Å; E200-R282 PolarHBondContact OE1-NE 2.82Å; E200-R282 IonicContact OE1-NH2 2.74Å; E200-R282 PolarHBondContact OE1-NH2 2.92Å
201	L	98.6	Very high	98.1	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.1	177.9	-179.8	66.2	0	0	0	109.7	A193 L194 L195 V203 L222 I283 L285 L293	A193-L201 HydrophobicContact CB-CD1 4.07Å; L194-L201 WeakPolarHBondContact O-CA 3.44Å; L195-L201 HydrophobicContact CB-CD1 4.36Å; L195-L201 HydrophobicContact CD1-CB 4.17Å; L201-V203 HydrophobicContact CG-CG2 4.32Å; L201-L222 HydrophobicContact CD2-CD1 3.82Å; L201-I283 HydrophobicContact CB-CD1 4.41Å; L201-I283 HydrophobicContact CB-CG1 3.8Å; L201-I283 HydrophobicContact CD2-CD1 3.86Å; L201-I283 HydrophobicContact CD2-CG1 4.13Å; L201-I283 HydrophobicContact CG-CG1 4.26Å; L201-I283 PolarHBondContact N-O 3.4Å; L201-I283 PolarHBondContact O-N 2.59Å; L201-I283 VanDerWaalsContact O-O 3.1Å; L201-L285 HydrophobicContact CB-CD2 4.19Å; L201-L285 HydrophobicContact CB-CG 4.3Å; L201-L285 HydrophobicContact CD2-CD2 4.19Å; L201-L293 HydrophobicContact CD1-CD2 4.21Å; L201-L293 HydrophobicContact CD2-CD1 4.39Å; L201-L293 HydrophobicContact CD2-CD2 4.38Å
202	V	98.9	Very high	98.1	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.9	172.2	-177.7	0	0	0	0	109.1	L156 E157 L160 A193 L194 E200 K281 R282	L156-V202 HydrophobicContact CB-CB 4.01Å; L156-V202 HydrophobicContact CB-CG1 4.29Å; L156-V202 HydrophobicContact CB-CG2 3.81Å; L156-V202 HydrophobicContact CD1-CG2 4.09Å; E157-V202 HydrophobicContact CB-CG1 4.41Å; E157-V202 HydrophobicContact CG-CG1 3.55Å; L160-V202 HydrophobicContact CD1-CB 4.48Å; L160-V202 HydrophobicContact CD1-CG1 3.92Å; A193-V202 CarbonylContact C-O 3.51Å; A193-V202 WeakPolarHBondContact CA-O 3.43Å; L194-V202 PolarHBondContact N-O 2.69Å; L194-V202 PolarHBondContact O-N 2.77Å; E200-V202 HydrophobicContact CG-CG2 4.38Å; V202-K281 WeakPolarHBondContact CA-O 3.26Å; V202-R282 HydrophobicContact CG2-CB 3.96Å; V202-R282 HydrophobicContact CG2-CG 3.82Å
203	V	98.9	Very high	98	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.006	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.8	175.8	-178.8	0	0	0	0	109	T191 V192 A193 L201 A211 L222 T223 T280 K281	T191-V203 HydrophobicContact CG2-CG1 4.15Å; V192-V203 CarbonylContact O-C 3.57Å; V192-V203 WeakPolarHBondContact O-CA 3.47Å; A193-V203 HydrophobicContact CB-CG2 4.08Å; L201-V203 HydrophobicContact CG-CG2 4.32Å; V203-A211 HydrophobicContact CG1-CB 3.83Å; V203-A211 HydrophobicContact CG2-CB 4.38Å; V203-L222 HydrophobicContact CB-CB 4.39Å; V203-L222 HydrophobicContact CG2-CB 4.12Å; V203-L222 HydrophobicContact CG2-CD1 3.68Å; V203-T223 HydrophobicContact CG1-CG2 3.75Å; V203-T280 CarbonylContact O-C 3.59Å; V203-T280 WeakPolarHBondContact O-CA 3.47Å; V203-K281 PolarHBondContact N-O 2.97Å; V203-K281 PolarHBondContact O-N 3.18Å
204	A	98.9	Very high	97.9	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.7	169.1	0	0	0	0	0	109.3	L160 F164 T191 V192 P278 E279 T280	L160-A204 HydrophobicContact CB-CB 3.53Å; L160-A204 HydrophobicContact CD1-CB 3.6Å; L160-A204 HydrophobicContact CD2-CB 4.49Å; L160-A204 HydrophobicContact CG-CB 4.06Å; F164-A204 HydrophobicContact CE2-CB 3.96Å; F164-A204 HydrophobicContact CZ-CB 4Å; T191-A204 WeakPolarHBondContact CA-O 3.28Å; V192-A204 PolarHBondContact N-O 3.03Å; V192-A204 PolarHBondContact O-N 3.19Å; A204-P278 HydrophobicContact CB-CB 3.96Å; A204-P278 HydrophobicContact CB-CG 4.14Å; A204-E279 CarbonylContact C-O 3.58Å; A204-E279 WeakPolarHBondContact CA-O 3.3Å; A204-T280 HydrophobicContact CB-CG2 3.85Å
205	S	98.8	Very high	97.7	Very high	3 Å²	3	9.5 Å²	9.5	2%	0.021	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	149	177.7	65	0	0	0	0	115.2	A190 T191 T223 H226 P278 E279	A190-S205 CarbonylContact O-C 3.48Å; A190-S205 WeakPolarHBondContact O-CA 3.5Å; T191-S205 WeakPolarHBondContact OG1-CB 3.37Å; S205-T223 WeakPolarHBondContact OG-CG2 3.38Å; S205-H226 PolarHBondContact O-CE1 2.96Å; S205-P278 VanDerWaalsContact O-CA 3.26Å; S205-P278 WeakPolarHBondContact O-CA 3.12Å; S205-P278 WeakPolarHBondContact O-CB 3.49Å; S205-E279 PolarHBondContact N-O 3.01Å; S205-E279 PolarHBondContact O-N 3.11Å
206	V	98.8	Very high	97.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.2	160.1	-64.3	0	0	0	0	109	F164 T189 A190 R262 I264 P278	F164-V206 HydrophobicContact CD1-CG1 4.1Å; F164-V206 HydrophobicContact CD1-CG2 4.16Å; F164-V206 HydrophobicContact CE1-CG1 4.32Å; F164-V206 HydrophobicContact CE1-CG2 4.04Å; T189-V206 WeakPolarHBondContact CA-O 3.38Å; T189-V206 WeakPolarHBondContact CB-O 3.36Å; A190-V206 HydrophobicContact CB-CG2 4.13Å; A190-V206 PolarHBondContact N-O 3.05Å; A190-V206 PolarHBondContact O-N 2.95Å; V206-R262 HydrophobicContact CB-CB 3.76Å; V206-R262 HydrophobicContact CG1-CB 3.93Å; V206-I264 HydrophobicContact CG2-CG1 4.05Å; V206-P278 HydrophobicContact CG1-CB 4.07Å
207	G	98.2	Very high	96.9	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.01	6%	0.058	C	C	.	.	S	Bend	trans	92.6	-153.8	-176.4	0	0	0	0	0	113.7	H226 R262	G207-H226 PolarHBondContact N-ND1 2.89Å; G207-H226 PolarHBondContact O-N 3.05Å; G207-H226 PolarHBondContact O-ND1 3.37Å; G207-R262 WeakPolarHBondContact CA-O 3.32Å; G207-R262 PolarHBondContact N-O 2.84Å; G207-R262 VanDerWaalsContact N-O 3.13Å
208	D	97.3	Very high	96.7	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.021	9%	0.085	C	C	.	.	S	Bend	trans	-120.2	8.7	-175.2	53.9	-4.2	0	0	0	114.2	D225 M260 N301 R370	D208-D225 HydrophobicContact CB-CB 4.02Å; D208-M260 WeakPolarHBondContact OD1-CE 3.2Å; D208-N301 PolarHBondContact O-ND2 3.45Å; D208-R370 IonicContact OD2-CZ 3.36Å; D208-R370 IonicContact OD2-NH1 2.69Å; D208-R370 PolarHBondContact OD2-NH1 3.38Å; D208-R370 IonicContact OD2-NH2 3.85Å
209	S	98.3	Very high	96.8	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	9%	0.094	C	C	.	.			trans	-63.2	144	159.2	-75.7	0	0	0	0	111	T189 T191 T296	T189-S209 WeakPolarHBondContact OG1-CB 3.1Å; T189-S209 PolarHBondContact OG1-OG 2.85Å; T191-S209 WeakPolarHBondContact OG1-CB 3.41Å; T191-S209 PolarHBondContact OG1-O 2.88Å; S209-T296 CarbonylContact C-O 3.55Å; S209-T296 WeakPolarHBondContact CA-O 3.15Å
210	R	98.6	Very high	96.9	Very high	40 Å²	40	23.2 Å²	23.2	15%	0.151	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	147.8	-169.4	-66.3	-174.5	-172.7	144.8	2.7	113.5	T223 D225 L295 T296 N301	R210-T223 WeakPolarHBondContact CA-OG1 3.47Å; R210-D225 WeakPolarHBondContact CG-OD1 3.46Å; R210-D225 IonicContact CZ-OD1 2.7Å; R210-D225 IonicContact CZ-OD2 3.89Å; R210-D225 IonicContact NE-OD1 3.77Å; R210-D225 PolarHBondContact NE-OD1 3.35Å; R210-D225 IonicContact NE-OD2 2.97Å; R210-D225 PolarHBondContact NE-OD2 2.92Å; R210-D225 IonicContact NH2-OD1 3.85Å; R210-D225 IonicContact NH2-OD2 3.86Å; R210-D225 PolarHBondContact NH2-OD2 2.78Å; R210-L295 CarbonylContact O-C 3.58Å; R210-L295 VanDerWaalsContact O-CA 3.26Å; R210-L295 WeakPolarHBondContact O-CA 3.31Å; R210-T296 PolarHBondContact N-O 2.81Å; R210-T296 PolarHBondContact O-N 2.95Å; R210-N301 WeakPolarHBondContact CG-ND2 3.17Å; R210-N301 VanDerWaalsContact NH1-CB 3.32Å; R210-N301 PolarHBondContact NH1-O 2.97Å
211	A	98.8	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.6	164.2	0	0	0	0	0	110.3	T191 V203 L222 T223 L293 V294 L295	T191-A211 HydrophobicContact CG2-CB 3.85Å; V203-A211 HydrophobicContact CG1-CB 3.83Å; V203-A211 HydrophobicContact CG2-CB 4.38Å; A211-L222 HydrophobicContact CB-CB 4.02Å; A211-L222 HydrophobicContact CB-CD1 4.46Å; A211-L222 WeakPolarHBondContact O-CA 3.39Å; A211-L222 WeakPolarHBondContact O-CB 3.43Å; A211-L222 PolarHBondContact O-N 3.34Å; A211-T223 HydrophobicContact CB-CG2 3.98Å; A211-T223 PolarHBondContact N-OG1 2.9Å; A211-T223 VanDerWaalsContact N-OG1 3.17Å; A211-L293 HydrophobicContact CB-CD1 4.25Å; A211-V294 CarbonylContact C-O 3.56Å; A211-V294 WeakPolarHBondContact CA-O 3.25Å; A211-L295 HydrophobicContact CB-CD2 3.43Å; A211-L295 VanDerWaalsContact CB-CD2 3.43Å
212	I	98.4	Very high	96.9	Very high	1 Å²	1	29 Å²	29	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.1	-177.4	-59.5	159	0	0	0	109.1	P219 L293 V294 S306 I309	I212-P219 HydrophobicContact CG2-CB 3.7Å; I212-L293 CarbonylContact O-C 3.11Å; I212-L293 WeakPolarHBondContact O-CA 3.24Å; I212-V294 PolarHBondContact N-O 2.99Å; I212-V294 PolarHBondContact O-N 2.97Å; I212-S306 WeakPolarHBondContact CD1-OG 3.48Å; I212-I309 HydrophobicContact CD1-CD1 3.94Å
213	L	98.3	Very high	96.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129.7	168.7	178.7	77.5	0	0	0	109.6	M220 L222 I283 L285 D290 F346	L213-M220 HydrophobicContact CB-CB 4.34Å; L213-M220 HydrophobicContact CD2-SD 4.43Å; L213-M220 PolarHBondContact N-O 3.07Å; L213-M220 PolarHBondContact O-N 3.22Å; L213-L222 HydrophobicContact CB-CD1 4.13Å; L213-L222 HydrophobicContact CB-CD2 4.23Å; L213-L222 HydrophobicContact CB-CG 4.3Å; L213-I283 HydrophobicContact CD2-CD1 3.6Å; L213-L285 HydrophobicContact CD1-CD2 3.98Å; L213-L285 HydrophobicContact CD2-CD2 4.49Å; L213-D290 HydrophobicContact CD1-CB 4.29Å; L213-F346 HydrophobicContact CD1-CD2 3.82Å; L213-F346 HydrophobicContact CD1-CE2 3.57Å
214	C	96.8	Very high	96.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	113.5	168.7	-175.6	0	0	0	0	110.4	S291 F292	C214-S291 PolarHBondContact O-N 2.74Å; C214-F292 HydrophobicContact CB-CD1 3.96Å; C214-F292 HydrophobicContact CB-CD2 3.62Å; C214-F292 HydrophobicContact CB-CE1 3.58Å; C214-F292 HydrophobicContact CB-CE2 3.24Å; C214-F292 HydrophobicContact CB-CG 3.98Å; C214-F292 HydrophobicContact CB-CZ 3.21Å; C214-F292 PolarHBondContact N-O 3.41Å; C214-F292 WeakPolarHBondContact SG-CZ 3.17Å
215	R	94.4	Very high	96.8	Very high	55 Å²	55	36.5 Å²	36.5	21%	0.208	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.7	176.9	-179.5	171.6	-68.5	-175.1	-6.7	109	G217 K218 K284 D289 D290	R215-G217 VanDerWaalsContact C-N 3.25Å; R215-G217 PolarHBondContact O-N 2.94Å; R215-K218 PolarHBondContact N-O 2.78Å; R215-K218 PolarHBondContact O-N 3.11Å; R215-K284 PolarHBondContact NH2-O 3.36Å; R215-D289 HydrophobicContact CG-CB 4.19Å; R215-D290 WeakPolarHBondContact CB-OD1 3.48Å; R215-D290 VanDerWaalsContact CG-OD1 3.3Å; R215-D290 WeakPolarHBondContact CG-OD1 3.3Å; R215-D290 IonicContact CZ-OD1 2.9Å; R215-D290 VanDerWaalsContact CZ-OD1 3.31Å; R215-D290 IonicContact CZ-OD2 2.71Å; R215-D290 IonicContact NE-OD1 3.18Å; R215-D290 PolarHBondContact NE-OD1 2.91Å; R215-D290 IonicContact NE-OD2 2.72Å; R215-D290 IonicContact NH2-OD1 3.31Å; R215-D290 PolarHBondContact NH2-OD1 3.11Å; R215-D290 IonicContact NH2-OD2 3.62Å; R215-D290 PolarHBondContact NH2-OD2 3.41Å
216	K	90.7	Very high	96.8	Very high	115 Å²	115	36.4 Å²	36.4	50%	0.5	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	41.3	-177.1	-56.4	-176.9	179	179.3	0	113.1	K218 D289 Y352	K216-K218 PolarHBondContact O-N 3.4Å; K216-D289 WeakPolarHBondContact CE-OD1 3.33Å; K216-D289 WeakPolarHBondContact CE-OD2 3.17Å; K216-D289 HydrophobicContact CG-CB 4.13Å; K216-D289 PolarHBondContact N-O 3Å; K216-D289 IonicContact NZ-OD1 2.95Å; K216-D289 IonicContact NZ-OD2 3.54Å; K216-D289 PolarHBondContact NZ-OD2 2.93Å; K216-Y352 HydrophobicContact CB-CE1 4.24Å; K216-Y352 HydrophobicContact CG-CE1 4.41Å
217	G	88	Confident	96.6	Very high	4 Å²	4	38 Å²	38	4%	0.041	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	5	-178.3	0	0	0	0	0	115.4	R215	R215-G217 VanDerWaalsContact C-N 3.25Å; R215-G217 PolarHBondContact O-N 2.94Å
218	K	93.3	Very high	96.5	Very high	148 Å²	148	38 Å²	38	64%	0.643	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.5	-179.5	-62.8	-172.5	-178.8	-176.2	0	111.8	R215 K216	R215-K218 PolarHBondContact N-O 2.78Å; R215-K218 PolarHBondContact O-N 3.11Å; K216-K218 PolarHBondContact O-N 3.4Å
219	P	96.3	Very high	96.3	Very high	40 Å²	40	43.8 Å²	43.8	26%	0.26	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129.9	177.4	30.3	-35.2	0	0	0	111.4	I212 Q307	I212-P219 HydrophobicContact CG2-CB 3.7Å; P219-Q307 HydrophobicContact CG-CB 4.2Å
220	M	97.7	Very high	96.3	Very high	61 Å²	61	45.7 Å²	45.7	30%	0.3	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	108.2	165.2	-178.4	-176.9	-59.9	0	0	108.3	L213 L222	L213-M220 HydrophobicContact CB-CB 4.34Å; L213-M220 HydrophobicContact CD2-SD 4.43Å; L213-M220 PolarHBondContact N-O 3.07Å; L213-M220 PolarHBondContact O-N 3.22Å; M220-L222 HydrophobicContact CG-CD2 4.29Å; M220-L222 PolarHBondContact O-N 3.42Å; M220-L222 HydrophobicContact SD-CD2 4.42Å
221	K	97.8	Very high	96.2	Very high	127 Å²	127	52 Å²	52	55%	0.552	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	126.2	177.6	-62.2	-176.5	-179.9	-173.7	0	110.2	K281 S306	K221-K281 PolarHBondContact O-NZ 2.87Å; K221-S306 WeakPolarHBondContact CE-OG 3.33Å
222	L	98.4	Very high	96.2	Very high	9 Å²	9	55.4 Å²	55.4	5%	0.047	26%	0.261	C	S	.	.			trans	-98	-21.9	177.9	-55	-175.2	0	0	0	112.8	L201 V203 A211 L213 M220 K281 I283 L293	L201-L222 HydrophobicContact CD2-CD1 3.82Å; V203-L222 HydrophobicContact CB-CB 4.39Å; V203-L222 HydrophobicContact CG2-CB 4.12Å; V203-L222 HydrophobicContact CG2-CD1 3.68Å; A211-L222 HydrophobicContact CB-CB 4.02Å; A211-L222 HydrophobicContact CB-CD1 4.46Å; A211-L222 WeakPolarHBondContact O-CA 3.39Å; A211-L222 WeakPolarHBondContact O-CB 3.43Å; A211-L222 PolarHBondContact O-N 3.34Å; L213-L222 HydrophobicContact CB-CD1 4.13Å; L213-L222 HydrophobicContact CB-CD2 4.23Å; L213-L222 HydrophobicContact CB-CG 4.3Å; M220-L222 HydrophobicContact CG-CD2 4.29Å; M220-L222 PolarHBondContact O-N 3.42Å; M220-L222 HydrophobicContact SD-CD2 4.42Å; L222-K281 HydrophobicContact CD2-CD 4.42Å; L222-K281 WeakPolarHBondContact O-CD 3.35Å; L222-I283 HydrophobicContact CD1-CD1 4.28Å; L222-I283 HydrophobicContact CD2-CD1 3.81Å; L222-I283 HydrophobicContact CD2-CG2 4.38Å; L222-L293 HydrophobicContact CD1-CD1 3.77Å
223	T	98.4	Very high	96.1	Very high	12 Å²	12	55.4 Å²	55.4	7%	0.074	26%	0.261	C	S	.	.			trans	-119.3	162.4	175.7	60.6	0	0	0	0	111.2	T191 V203 S205 R210 A211	T191-T223 HydrophobicContact CG2-CG2 4.07Å; V203-T223 HydrophobicContact CG1-CG2 3.75Å; S205-T223 WeakPolarHBondContact OG-CG2 3.38Å; R210-T223 WeakPolarHBondContact CA-OG1 3.47Å; A211-T223 HydrophobicContact CB-CG2 3.98Å; A211-T223 PolarHBondContact N-OG1 2.9Å; A211-T223 VanDerWaalsContact N-OG1 3.17Å
224	I	97.9	Very high	96.1	Very high	109 Å²	109	58.8 Å²	58.8	56%	0.559	28%	0.275	S	S	*	.			trans	-128.5	124.5	172.5	-58.2	173.6	0	0	0	106.8	H226	I224-H226 PolarHBondContact O-N 3.22Å
225	D	97.8	Very high	96.1	Very high	37 Å²	37	65.1 Å²	65.1	20%	0.198	31%	0.305	C	S	.	.			trans	-57.3	133.3	-176.4	-50.6	0.1	0	0	0	111.5	D208 R210 T227	D208-D225 HydrophobicContact CB-CB 4.02Å; R210-D225 WeakPolarHBondContact CG-OD1 3.46Å; R210-D225 IonicContact CZ-OD1 2.7Å; R210-D225 IonicContact CZ-OD2 3.89Å; R210-D225 IonicContact NE-OD1 3.77Å; R210-D225 PolarHBondContact NE-OD1 3.35Å; R210-D225 IonicContact NE-OD2 2.97Å; R210-D225 PolarHBondContact NE-OD2 2.92Å; R210-D225 IonicContact NH2-OD1 3.85Å; R210-D225 IonicContact NH2-OD2 3.86Å; R210-D225 PolarHBondContact NH2-OD2 2.78Å; D225-T227 HydrophobicContact CB-CG2 3.87Å; D225-T227 PolarHBondContact O-N 3.35Å
226	H	98.1	Very high	96.3	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.303	C	S	.	.			trans	-88.4	78.1	177.1	-59.4	101	0	0	0	110.2	S205 G207 I224 R230 E233 M260 T261 R262 E279	S205-H226 PolarHBondContact O-CE1 2.96Å; G207-H226 PolarHBondContact N-ND1 2.89Å; G207-H226 PolarHBondContact O-N 3.05Å; G207-H226 PolarHBondContact O-ND1 3.37Å; I224-H226 PolarHBondContact O-N 3.22Å; H226-R230 PolarHBondContact CD2-NH1 3.38Å; H226-E233 IonicContact CD2-OE2 3.29Å; H226-M260 CarbonylContact O-C 3.44Å; H226-M260 VanDerWaalsContact O-CA 3.23Å; H226-M260 WeakPolarHBondContact O-CA 3.16Å; H226-M260 WeakPolarHBondContact O-CB 3.36Å; H226-T261 PolarHBondContact O-N 3.49Å; H226-T261 PolarHBondContact O-OG1 3.19Å; H226-T261 VanDerWaalsContact O-OG1 3.06Å; H226-R262 HydrophobicContact CB-CB 4.1Å; H226-R262 HydrophobicContact CB-CG 4.03Å; H226-R262 VanDerWaalsContact CD2-CD 3.43Å; H226-R262 WeakPolarHBondContact CD2-CD 3.46Å; H226-R262 PolarHBondContact CD2-NE 3.35Å; H226-E279 WeakPolarHBondContact NE2-CG 3.45Å; H226-E279 IonicContact NE2-OE2 2.69Å; H226-E279 PolarHBondContact NE2-OE2 2.79Å
227	T	95.8	Very high	96.6	Very high	33 Å²	33	59.1 Å²	59.1	20%	0.202	28%	0.279	C	S	.	.			trans	-108.1	155.6	-177.9	69.2	0	0	0	0	112.3	D225 E229 R230	D225-T227 HydrophobicContact CB-CG2 3.87Å; D225-T227 PolarHBondContact O-N 3.35Å; T227-E229 PolarHBondContact O-N 3.37Å; T227-R230 WeakPolarHBondContact O-CB 3.41Å; T227-R230 PolarHBondContact O-N 3.02Å
228	P	95.7	Very high	97.1	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.013	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-9.2	176.7	-22.9	33.3	0	0	0	115	V244 P252 V254 A259 T261	P228-V244 HydrophobicContact CB-CG1 3.81Å; P228-V244 HydrophobicContact CB-CG2 3.96Å; P228-P252 HydrophobicContact CB-CB 4Å; P228-P252 HydrophobicContact CB-CG 4.28Å; P228-P252 HydrophobicContact CG-CB 4.42Å; P228-V254 HydrophobicContact CG-CG2 3.93Å; P228-A259 WeakPolarHBondContact CD-O 3.28Å; P228-T261 HydrophobicContact CB-CG2 4.18Å; P228-T261 HydrophobicContact CG-CG2 3.86Å
229	E	93.8	Very high	97.3	Very high	126 Å²	126	67.1 Å²	67.1	59%	0.589	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-26.2	174.3	-60.7	-164.9	144.6	0	0	112.5	T227 K231 P252	T227-E229 PolarHBondContact O-N 3.37Å; E229-K231 PolarHBondContact O-N 2.89Å; E229-P252 HydrophobicContact CG-CG 3.64Å
230	R	96.4	Very high	97.4	Very high	41 Å²	41	68.1 Å²	68.1	16%	0.155	32%	0.32	C	S	.	.	S	Bend	trans	-66.5	128.1	177.8	-137.3	175.9	75.5	174.5	6.1	109.5	H226 T227 D232 E233 K234 R262 E279	H226-R230 PolarHBondContact CD2-NH1 3.38Å; T227-R230 WeakPolarHBondContact O-CB 3.41Å; T227-R230 PolarHBondContact O-N 3.02Å; R230-D232 VanDerWaalsContact CG-OD1 3.23Å; R230-D232 WeakPolarHBondContact CG-OD1 3.43Å; R230-D232 IonicContact CZ-OD1 2.81Å; R230-D232 IonicContact CZ-OD2 3.33Å; R230-D232 IonicContact NE-OD1 2.77Å; R230-D232 PolarHBondContact NE-OD1 3.12Å; R230-D232 IonicContact NE-OD2 3.98Å; R230-D232 PolarHBondContact NE-OD2 3.47Å; R230-D232 IonicContact NH2-OD1 3.46Å; R230-D232 IonicContact NH2-OD2 3.11Å; R230-D232 PolarHBondContact NH2-OD2 3.49Å; R230-D232 PolarHBondContact O-N 2.83Å; R230-E233 HydrophobicContact CB-CB 4.05Å; R230-E233 HydrophobicContact CB-CG 3.73Å; R230-E233 HydrophobicContact CG-CG 4.41Å; R230-E233 IonicContact CZ-OE1 2.95Å; R230-E233 VanDerWaalsContact NE-CG 3.27Å; R230-E233 IonicContact NH2-OE1 2.82Å; R230-E233 PolarHBondContact NH2-OE1 2.92Å; R230-E233 PolarHBondContact O-N 2.94Å; R230-K234 WeakPolarHBondContact O-CB 3.48Å; R230-K234 PolarHBondContact O-N 3.43Å; R230-R262 VanDerWaalsContact NH2-NH2 3.13Å; R230-E279 IonicContact CZ-OE1 3.95Å; R230-E279 IonicContact CZ-OE2 3.67Å; R230-E279 IonicContact NH1-OE1 3.94Å; R230-E279 PolarHBondContact NH1-OE1 3.25Å; R230-E279 IonicContact NH1-OE2 3.02Å; R230-E279 PolarHBondContact NH1-OE2 3.21Å; R230-E279 IonicContact NH2-OE1 2.79Å; R230-E279 PolarHBondContact NH2-OE1 3.17Å; R230-E279 IonicContact NH2-OE2 2.68Å
231	K	97.5	Very high	97.3	Very high	171 Å²	171	68.3 Å²	68.3	74%	0.743	34%	0.338	S	S	*	.	H	α-helix	trans	-63.6	-45.8	-168.2	-68.3	-173.8	179.6	178.8	0	112.6	E229 K234 E235	E229-K231 PolarHBondContact O-N 2.89Å; K231-K234 PolarHBondContact O-N 3.47Å; K231-E235 WeakPolarHBondContact O-CB 3.23Å; K231-E235 VanDerWaalsContact O-CG 3.29Å; K231-E235 WeakPolarHBondContact O-CG 3.13Å; K231-E235 PolarHBondContact O-N 2.98Å
232	D	97.9	Very high	97.3	Very high	73 Å²	73	62.6 Å²	62.6	39%	0.39	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-44.1	176.8	59.6	-32.8	0	0	0	112.1	R230 E235 R236	R230-D232 VanDerWaalsContact CG-OD1 3.23Å; R230-D232 WeakPolarHBondContact CG-OD1 3.43Å; R230-D232 IonicContact CZ-OD1 2.81Å; R230-D232 IonicContact CZ-OD2 3.33Å; R230-D232 IonicContact NE-OD1 2.77Å; R230-D232 PolarHBondContact NE-OD1 3.12Å; R230-D232 IonicContact NE-OD2 3.98Å; R230-D232 PolarHBondContact NE-OD2 3.47Å; R230-D232 IonicContact NH2-OD1 3.46Å; R230-D232 IonicContact NH2-OD2 3.11Å; R230-D232 PolarHBondContact NH2-OD2 3.49Å; R230-D232 PolarHBondContact O-N 2.83Å; D232-E235 PolarHBondContact O-N 3.11Å; D232-R236 PolarHBondContact O-N 3.24Å
233	E	98.1	Very high	97.1	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-64	-46.6	176.8	-58.9	-67.7	102.7	0	0	111	H226 R230 E235 R236 I237 T261 R262	H226-E233 IonicContact CD2-OE2 3.29Å; R230-E233 HydrophobicContact CB-CB 4.05Å; R230-E233 HydrophobicContact CB-CG 3.73Å; R230-E233 HydrophobicContact CG-CG 4.41Å; R230-E233 IonicContact CZ-OE1 2.95Å; R230-E233 VanDerWaalsContact NE-CG 3.27Å; R230-E233 IonicContact NH2-OE1 2.82Å; R230-E233 PolarHBondContact NH2-OE1 2.92Å; R230-E233 PolarHBondContact O-N 2.94Å; E233-E235 VanDerWaalsContact C-N 3.31Å; E233-E235 PolarHBondContact O-N 3.3Å; E233-R236 WeakPolarHBondContact O-CB 3.42Å; E233-R236 PolarHBondContact O-N 3.07Å; E233-R236 VanDerWaalsContact O-N 3.17Å; E233-R236 IonicContact OE1-CZ 2.75Å; E233-R236 IonicContact OE1-NH1 2.95Å; E233-R236 PolarHBondContact OE1-NH1 2.97Å; E233-R236 IonicContact OE1-NH2 2.76Å; E233-R236 IonicContact OE2-CZ 3.96Å; E233-R236 IonicContact OE2-NH1 3.44Å; E233-R236 PolarHBondContact OE2-NH1 2.73Å; E233-R236 IonicContact OE2-NH2 2.77Å; E233-R236 PolarHBondContact OE2-NH2 3.48Å; E233-I237 WeakPolarHBondContact O-CG1 3.34Å; E233-I237 PolarHBondContact O-N 2.98Å; E233-T261 HydrophobicContact CB-CG2 3.97Å; E233-T261 WeakPolarHBondContact CB-OG1 3.37Å; E233-T261 WeakPolarHBondContact CG-OG1 3.44Å; E233-T261 WeakPolarHBondContact OE2-CB 3.39Å; E233-T261 PolarHBondContact OE2-OG1 2.9Å; E233-R262 IonicContact OE1-CZ 2.9Å; E233-R262 IonicContact OE1-NE 3.3Å; E233-R262 PolarHBondContact OE1-NE 3.17Å; E233-R262 IonicContact OE1-NH2 3.46Å; E233-R262 PolarHBondContact OE1-NH2 2.92Å; E233-R262 WeakPolarHBondContact OE2-CG 3.31Å; E233-R262 IonicContact OE2-NE 3.67Å; E233-R262 PolarHBondContact OE2-NE 3.16Å; E233-R262 VanDerWaalsContact OE2-NE 3.07Å
234	K	96.4	Very high	97.1	Very high	70 Å²	70	68.3 Å²	68.3	30%	0.304	34%	0.341	S	S	.	.	H	α-helix	trans	-60.7	-39.3	177.3	-173.4	175.2	-173.8	169.2	0	112.6	R230 K231 K238 V244	R230-K234 WeakPolarHBondContact O-CB 3.48Å; R230-K234 PolarHBondContact O-N 3.43Å; K231-K234 PolarHBondContact O-N 3.47Å; K234-K238 WeakPolarHBondContact O-CG 3.38Å; K234-K238 PolarHBondContact O-N 2.8Å; K234-K238 VanDerWaalsContact O-N 3.13Å; K234-V244 HydrophobicContact CG-CG2 4.47Å
235	E	97.7	Very high	96.9	Very high	134 Å²	134	64.7 Å²	64.7	63%	0.626	33%	0.327	S	S	*	.	H	α-helix	trans	-64.3	-43.5	174.9	-77.7	172.5	-162.1	0	0	111.4	K231 D232 E233 K238 K239	K231-E235 WeakPolarHBondContact O-CB 3.23Å; K231-E235 VanDerWaalsContact O-CG 3.29Å; K231-E235 WeakPolarHBondContact O-CG 3.13Å; K231-E235 PolarHBondContact O-N 2.98Å; D232-E235 PolarHBondContact O-N 3.11Å; E233-E235 VanDerWaalsContact C-N 3.31Å; E233-E235 PolarHBondContact O-N 3.3Å; E235-K238 PolarHBondContact O-N 3.46Å; E235-K239 VanDerWaalsContact O-CB 3.29Å; E235-K239 WeakPolarHBondContact O-CB 3.45Å; E235-K239 PolarHBondContact O-N 3.23Å
236	R	98.4	Very high	96.8	Very high	44 Å²	44	69.9 Å²	69.9	17%	0.166	34%	0.344	C	S	.	.	H	α-helix	trans	-60.4	-49.2	174.8	-175.6	-177.8	65.4	-106.1	-0.8	111.8	D232 E233 K238 K239 C240 T261 G273	D232-R236 PolarHBondContact O-N 3.24Å; E233-R236 WeakPolarHBondContact O-CB 3.42Å; E233-R236 PolarHBondContact O-N 3.07Å; E233-R236 VanDerWaalsContact O-N 3.17Å; E233-R236 IonicContact OE1-CZ 2.75Å; E233-R236 IonicContact OE1-NH1 2.95Å; E233-R236 PolarHBondContact OE1-NH1 2.97Å; E233-R236 IonicContact OE1-NH2 2.76Å; E233-R236 IonicContact OE2-CZ 3.96Å; E233-R236 IonicContact OE2-NH1 3.44Å; E233-R236 PolarHBondContact OE2-NH1 2.73Å; E233-R236 IonicContact OE2-NH2 2.77Å; E233-R236 PolarHBondContact OE2-NH2 3.48Å; R236-K238 VanDerWaalsContact C-N 3.32Å; R236-K238 PolarHBondContact O-N 3.31Å; R236-K239 PolarHBondContact O-N 3.31Å; R236-K239 VanDerWaalsContact O-N 3.14Å; R236-C240 PolarHBondContact O-N 3.09Å; R236-C240 PolarHBondContact O-SG 3.07Å; R236-T261 PolarHBondContact NH2-O 2.84Å; R236-G273 PolarHBondContact NE-O 3.09Å
237	I	98.3	Very high	96.4	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-55	-49.2	179.1	-66.1	-57.2	0	0	0	110.6	E233 K239 C240 G241 G242 V244 V254 T261 S272 V274	E233-I237 WeakPolarHBondContact O-CG1 3.34Å; E233-I237 PolarHBondContact O-N 2.98Å; I237-K239 PolarHBondContact O-N 2.88Å; I237-C240 PolarHBondContact O-N 3.28Å; I237-G241 PolarHBondContact O-N 3.16Å; I237-G242 WeakPolarHBondContact O-CA 3.26Å; I237-G242 PolarHBondContact O-N 3.15Å; I237-V244 HydrophobicContact CG2-CG2 4.43Å; I237-V254 HydrophobicContact CD1-CG1 3.97Å; I237-V254 HydrophobicContact CD1-CG2 4.15Å; I237-V254 HydrophobicContact CG1-CG1 4.5Å; I237-V254 HydrophobicContact CG1-CG2 4.23Å; I237-V254 HydrophobicContact CG2-CG1 4.03Å; I237-T261 HydrophobicContact CD1-CG2 4.37Å; I237-T261 HydrophobicContact CG1-CG2 4Å; I237-S272 WeakPolarHBondContact CD1-O 3.48Å; I237-V274 HydrophobicContact CD1-CG2 4.13Å
238	K	97.3	Very high	96.1	Very high	131 Å²	131	77.5 Å²	77.5	57%	0.57	39%	0.394	S	S	*	.	H	α-helix	trans	-62.6	-41.7	177.7	-72	177.4	177.4	-172.5	0	112.8	K234 E235 R236 C240 G241	K234-K238 WeakPolarHBondContact O-CG 3.38Å; K234-K238 PolarHBondContact O-N 2.8Å; K234-K238 VanDerWaalsContact O-N 3.13Å; E235-K238 PolarHBondContact O-N 3.46Å; R236-K238 VanDerWaalsContact C-N 3.32Å; R236-K238 PolarHBondContact O-N 3.31Å; K238-C240 VanDerWaalsContact C-N 3.27Å; K238-C240 PolarHBondContact O-N 2.76Å; K238-G241 PolarHBondContact O-N 3.23Å; K238-G241 VanDerWaalsContact O-N 3.13Å
239	K	98	Very high	95.6	Very high	189 Å²	189	81.8 Å²	81.8	82%	0.822	42%	0.416	S	S	*	.	H	α-helix	trans	-64	-34	179.6	-175.6	-179	177.2	-175.1	0	112	E235 R236 I237 G241	E235-K239 VanDerWaalsContact O-CB 3.29Å; E235-K239 WeakPolarHBondContact O-CB 3.45Å; E235-K239 PolarHBondContact O-N 3.23Å; R236-K239 PolarHBondContact O-N 3.31Å; R236-K239 VanDerWaalsContact O-N 3.14Å; I237-K239 PolarHBondContact O-N 2.88Å; K239-G241 VanDerWaalsContact C-N 3.27Å; K239-G241 PolarHBondContact O-N 3.19Å
240	C	97.4	Very high	95.4	Very high	60 Å²	60	77.8 Å²	77.8	41%	0.405	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	5.6	176.5	-67.3	0	0	0	0	113.5	R236 I237 K238 G242 T271	R236-C240 PolarHBondContact O-N 3.09Å; R236-C240 PolarHBondContact O-SG 3.07Å; I237-C240 PolarHBondContact O-N 3.28Å; K238-C240 VanDerWaalsContact C-N 3.27Å; K238-C240 PolarHBondContact O-N 2.76Å; C240-G242 VanDerWaalsContact C-N 3.34Å; C240-T271 VanDerWaalsContact O-O 3.13Å
241	G	96.6	Very high	95	Very high	65 Å²	65	76.8 Å²	76.8	67%	0.67	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	4.4	177.6	0	0	0	0	0	115	I237 K238 K239	I237-G241 PolarHBondContact O-N 3.16Å; K238-G241 PolarHBondContact O-N 3.23Å; K238-G241 VanDerWaalsContact O-N 3.13Å; K239-G241 VanDerWaalsContact C-N 3.27Å; K239-G241 PolarHBondContact O-N 3.19Å
242	G	97.1	Very high	94.9	Very high	7 Å²	7	69.4 Å²	69.4	7%	0.072	38%	0.376	C	S	.	.			trans	-77	166.8	168.9	0	0	0	0	0	112.4	I237 C240 N255	I237-G242 WeakPolarHBondContact O-CA 3.26Å; I237-G242 PolarHBondContact O-N 3.15Å; C240-G242 VanDerWaalsContact C-N 3.34Å; G242-N255 WeakPolarHBondContact CA-OD1 3.46Å
243	F	95.6	Very high	94.8	Very high	115 Å²	115	67.1 Å²	67.1	50%	0.504	36%	0.363	S	S	.	.			trans	-132.1	164.1	175.1	64.4	-85.3	0	0	0	111.2	A245 V254 N255	F243-A245 HydrophobicContact CD2-CB 4.27Å; F243-A245 HydrophobicContact CE2-CB 4.02Å; F243-V254 WeakPolarHBondContact O-CA 3.26Å; F243-N255 HydrophobicContact CD1-CB 4.48Å; F243-N255 HydrophobicContact CE1-CB 3.99Å; F243-N255 HydrophobicContact CZ-CB 4.14Å; F243-N255 PolarHBondContact N-OD1 3.14Å; F243-N255 PolarHBondContact O-N 3.31Å; F243-N255 PolarHBondContact O-OD1 3.13Å
244	V	97.1	Very high	94.7	Very high	27 Å²	27	67.1 Å²	67.1	16%	0.164	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	115.9	174.8	-179.4	0	0	0	0	107.9	P228 K234 I237 P252 H253	P228-V244 HydrophobicContact CB-CG1 3.81Å; P228-V244 HydrophobicContact CB-CG2 3.96Å; K234-V244 HydrophobicContact CG-CG2 4.47Å; I237-V244 HydrophobicContact CG2-CG2 4.43Å; V244-P252 HydrophobicContact CG1-CB 3.62Å; V244-H253 WeakPolarHBondContact CA-O 3.5Å
245	A	95.1	Very high	94.6	Very high	32 Å²	32	65.9 Å²	65.9	26%	0.264	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	154.6	173	0	0	0	0	0	110.1	F243 P252 H253	F243-A245 HydrophobicContact CD2-CB 4.27Å; F243-A245 HydrophobicContact CE2-CB 4.02Å; A245-P252 CarbonylContact O-C 3.53Å; A245-P252 WeakPolarHBondContact O-CA 3.37Å; A245-H253 PolarHBondContact N-O 2.82Å; A245-H253 PolarHBondContact O-N 3.11Å
246	W	93.8	Very high	94.5	Very high	146 Å²	146	61.8 Å²	61.8	55%	0.553	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.1	178.7	-64.1	73.1	0	0	0	108.1	G250 P252	W246-G250 WeakPolarHBondContact CZ3-O 3.34Å; W246-P252 HydrophobicContact CD2-CB 4.25Å; W246-P252 HydrophobicContact CE3-CB 4.32Å; W246-P252 HydrophobicContact CH2-CB 4.15Å; W246-P252 HydrophobicContact CH2-CG 4.31Å; W246-P252 HydrophobicContact CZ2-CB 4.09Å; W246-P252 HydrophobicContact CZ3-CB 4.27Å; W246-P252 HydrophobicContact CZ3-CG 4.36Å
247	N	90.4	Very high	94.3	Very high	58 Å²	58	62.8 Å²	62.8	31%	0.31	36%	0.357	S	S	.	.			trans	-76.3	176.5	174.1	72.7	5.2	0	0	0	110.9	L249 G250 Q251 H253	N247-L249 PolarHBondContact O-N 2.92Å; N247-L249 VanDerWaalsContact O-N 3.12Å; N247-L249 WeakPolarHBondContact OD1-CA 3.5Å; N247-L249 WeakPolarHBondContact OD1-CB 3.44Å; N247-L249 PolarHBondContact OD1-N 2.76Å; N247-G250 PolarHBondContact O-N 3.07Å; N247-G250 PolarHBondContact OD1-N 3.29Å; N247-G250 VanDerWaalsContact OD1-N 3.12Å; N247-Q251 PolarHBondContact N-O 3.06Å; N247-Q251 VanDerWaalsContact N-O 3.1Å; N247-Q251 PolarHBondContact ND2-OE1 3.13Å; N247-Q251 WeakPolarHBondContact OD1-CB 3.43Å; N247-Q251 PolarHBondContact OD1-N 3.23Å; N247-H253 PolarHBondContact ND2-CE1 2.77Å
248	S	88.9	Confident	94.1	Very high	136 Å²	136	63 Å²	63	95%	0.951	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.5	179.4	-50.8	0	0	0	0	114	G250	S248-G250 VanDerWaalsContact C-N 3.33Å
249	L	87	Confident	94	Very high	92 Å²	92	57.2 Å²	57.2	48%	0.482	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	1.1	177.2	-57.8	177.7	0	0	0	112.6	N247 Q251	N247-L249 PolarHBondContact O-N 2.92Å; N247-L249 VanDerWaalsContact O-N 3.12Å; N247-L249 WeakPolarHBondContact OD1-CA 3.5Å; N247-L249 WeakPolarHBondContact OD1-CB 3.44Å; N247-L249 PolarHBondContact OD1-N 2.76Å; L249-Q251 HydrophobicContact CB-CG 4.34Å
250	G	88.6	Confident	94	Very high	42 Å²	42	48.6 Å²	48.6	43%	0.433	30%	0.297	S	S	.	.	S	Bend	trans	72.7	27.4	-178.1	0	0	0	0	0	113.4	W246 N247 S248	W246-G250 WeakPolarHBondContact CZ3-O 3.34Å; N247-G250 PolarHBondContact O-N 3.07Å; N247-G250 PolarHBondContact OD1-N 3.29Å; N247-G250 VanDerWaalsContact OD1-N 3.12Å; S248-G250 VanDerWaalsContact C-N 3.33Å
251	Q	88.1	Confident	94	Very high	19 Å²	19	45.7 Å²	45.7	9%	0.089	28%	0.278	C	S	.	.			trans	-97.2	131.4	174.3	-58.8	172.4	-58.4	0	0	110.7	N247 L249 H253 S367	N247-Q251 PolarHBondContact N-O 3.06Å; N247-Q251 VanDerWaalsContact N-O 3.1Å; N247-Q251 PolarHBondContact ND2-OE1 3.13Å; N247-Q251 WeakPolarHBondContact OD1-CB 3.43Å; N247-Q251 PolarHBondContact OD1-N 3.23Å; L249-Q251 HydrophobicContact CB-CG 4.34Å; Q251-H253 PolarHBondContact O-ND1 2.98Å; Q251-S367 VanDerWaalsContact NE2-CA 3.33Å; Q251-S367 PolarHBondContact NE2-O 2.84Å
252	P	94.4	Very high	94.1	Very high	17 Å²	17	43.5 Å²	43.5	11%	0.11	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	134.7	-177.6	33.9	-34.8	0	0	0	111.7	P228 E229 V244 A245 W246	P228-P252 HydrophobicContact CB-CB 4Å; P228-P252 HydrophobicContact CB-CG 4.28Å; P228-P252 HydrophobicContact CG-CB 4.42Å; E229-P252 HydrophobicContact CG-CG 3.64Å; V244-P252 HydrophobicContact CG1-CB 3.62Å; A245-P252 CarbonylContact O-C 3.53Å; A245-P252 WeakPolarHBondContact O-CA 3.37Å; W246-P252 HydrophobicContact CD2-CB 4.25Å; W246-P252 HydrophobicContact CE3-CB 4.32Å; W246-P252 HydrophobicContact CH2-CB 4.15Å; W246-P252 HydrophobicContact CH2-CG 4.31Å; W246-P252 HydrophobicContact CZ2-CB 4.09Å; W246-P252 HydrophobicContact CZ3-CB 4.27Å; W246-P252 HydrophobicContact CZ3-CG 4.36Å
253	H	96.1	Very high	94.2	Very high	25 Å²	25	43.1 Å²	43.1	12%	0.116	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.3	-179.4	-68.4	73	0	0	0	110.9	V244 A245 N247 Q251 N255 G256 L258	V244-H253 WeakPolarHBondContact CA-O 3.5Å; A245-H253 PolarHBondContact N-O 2.82Å; A245-H253 PolarHBondContact O-N 3.11Å; N247-H253 PolarHBondContact ND2-CE1 2.77Å; Q251-H253 PolarHBondContact O-ND1 2.98Å; H253-N255 PolarHBondContact O-N 3.04Å; H253-G256 PolarHBondContact O-N 3.05Å; H253-L258 CarbonylContact C-O 3.57Å; H253-L258 VanDerWaalsContact CA-O 3.26Å; H253-L258 WeakPolarHBondContact CA-O 3.44Å
254	V	96.3	Very high	94.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	125.4	171.6	-176.4	0	0	0	0	109.2	P228 I237 F243 G256 R257 L258 M260 T261 V274	P228-V254 HydrophobicContact CG-CG2 3.93Å; I237-V254 HydrophobicContact CD1-CG1 3.97Å; I237-V254 HydrophobicContact CD1-CG2 4.15Å; I237-V254 HydrophobicContact CG1-CG1 4.5Å; I237-V254 HydrophobicContact CG1-CG2 4.23Å; I237-V254 HydrophobicContact CG2-CG1 4.03Å; F243-V254 WeakPolarHBondContact O-CA 3.26Å; V254-G256 PolarHBondContact O-N 3.42Å; V254-R257 PolarHBondContact O-N 3.3Å; V254-L258 HydrophobicContact CB-CB 4.48Å; V254-L258 PolarHBondContact N-O 2.81Å; V254-L258 PolarHBondContact O-N 2.95Å; V254-L258 VanDerWaalsContact O-N 3.14Å; V254-M260 WeakPolarHBondContact CG2-O 3.19Å; V254-T261 HydrophobicContact CG2-CG2 3.83Å; V254-V274 HydrophobicContact CB-CG2 4.47Å; V254-V274 HydrophobicContact CG1-CG2 3.93Å
255	N	95.7	Very high	94.4	Very high	44 Å²	44	36.4 Å²	36.4	24%	0.235	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	26	-174.4	-63.7	4.8	0	0	0	113.7	G242 F243 H253 R257 L269 S272	G242-N255 WeakPolarHBondContact CA-OD1 3.46Å; F243-N255 HydrophobicContact CD1-CB 4.48Å; F243-N255 HydrophobicContact CE1-CB 3.99Å; F243-N255 HydrophobicContact CZ-CB 4.14Å; F243-N255 PolarHBondContact N-OD1 3.14Å; F243-N255 PolarHBondContact O-N 3.31Å; F243-N255 PolarHBondContact O-OD1 3.13Å; H253-N255 PolarHBondContact O-N 3.04Å; N255-R257 PolarHBondContact O-N 3.37Å; N255-L269 HydrophobicContact CB-CD2 3.93Å; N255-S272 PolarHBondContact ND2-OG 3.45Å
256	G	93.8	Very high	94.5	Very high	48 Å²	48	34.9 Å²	34.9	50%	0.495	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	11.4	-176	0	0	0	0	0	115.4	H253 V254	H253-G256 PolarHBondContact O-N 3.05Å; V254-G256 PolarHBondContact O-N 3.42Å
257	R	94.4	Very high	94.7	Very high	65 Å²	65	28.7 Å²	28.7	25%	0.245	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-50.6	-176.3	-179.2	175	160.1	-134	-23.9	114	T185 V254 N255 D266 D268	T185-R257 VanDerWaalsContact CA-NH2 3.31Å; T185-R257 VanDerWaalsContact CB-NH2 3.28Å; T185-R257 PolarHBondContact O-NH2 2.91Å; V254-R257 PolarHBondContact O-N 3.3Å; N255-R257 PolarHBondContact O-N 3.37Å; R257-D266 IonicContact NH2-OD1 3.16Å; R257-D266 PolarHBondContact NH2-OD1 3.45Å; R257-D268 IonicContact CZ-OD1 3.75Å; R257-D268 IonicContact CZ-OD2 3.91Å; R257-D268 IonicContact NH1-OD1 2.67Å; R257-D268 PolarHBondContact NH1-OD1 3.43Å; R257-D268 IonicContact NH1-OD2 2.66Å; R257-D268 PolarHBondContact NH1-OD2 2.86Å; R257-D268 IonicContact NH2-OD1 3.97Å
258	L	95.3	Very high	94.9	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.026	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-107.4	128.4	-168.3	-171.8	64.9	0	0	0	112.1	H129 H253 V254 M260 L269 V274	H129-L258 WeakPolarHBondContact NE2-CD1 3.33Å; H253-L258 CarbonylContact C-O 3.57Å; H253-L258 VanDerWaalsContact CA-O 3.26Å; H253-L258 WeakPolarHBondContact CA-O 3.44Å; V254-L258 HydrophobicContact CB-CB 4.48Å; V254-L258 PolarHBondContact N-O 2.81Å; V254-L258 PolarHBondContact O-N 2.95Å; V254-L258 VanDerWaalsContact O-N 3.14Å; L258-M260 VanDerWaalsContact C-N 3.26Å; L258-M260 HydrophobicContact CD1-CG 3.94Å; L258-M260 HydrophobicContact CD2-CG 3.88Å; L258-M260 WeakPolarHBondContact CD2-O 3.34Å; L258-M260 HydrophobicContact CG-CG 3.75Å; L258-M260 WeakPolarHBondContact CG-O 3.12Å; L258-M260 PolarHBondContact O-N 3.33Å; L258-L269 HydrophobicContact CB-CD1 3.56Å; L258-L269 HydrophobicContact CD2-CD1 3.91Å; L258-L269 HydrophobicContact CG-CD1 4.35Å; L258-V274 HydrophobicContact CD2-CG1 3.77Å; L258-V274 HydrophobicContact CD2-CG2 4.2Å
259	A	95.4	Very high	95.3	Very high	10 Å²	10	23.1 Å²	23.1	8%	0.083	14%	0.139	C	C	.	.	S	Bend	trans	-79.2	-6.1	-177.8	0	0	0	0	0	114.2	P228 R370	P228-A259 WeakPolarHBondContact CD-O 3.28Å; A259-R370 VanDerWaalsContact CB-CZ 3.45Å
260	M	96.9	Very high	95.8	Very high	7 Å²	7	21 Å²	21	3%	0.034	13%	0.125	C	C	.	.			trans	-123	161.8	179.5	65.1	-173.4	75.3	0	0	111.8	T189 D208 H226 V254 L258	T189-M260 HydrophobicContact CG2-CE 3.52Å; T189-M260 HydrophobicContact CG2-SD 3.7Å; D208-M260 WeakPolarHBondContact OD1-CE 3.2Å; H226-M260 CarbonylContact O-C 3.44Å; H226-M260 VanDerWaalsContact O-CA 3.23Å; H226-M260 WeakPolarHBondContact O-CA 3.16Å; H226-M260 WeakPolarHBondContact O-CB 3.36Å; V254-M260 WeakPolarHBondContact CG2-O 3.19Å; L258-M260 VanDerWaalsContact C-N 3.26Å; L258-M260 HydrophobicContact CD1-CG 3.94Å; L258-M260 HydrophobicContact CD2-CG 3.88Å; L258-M260 WeakPolarHBondContact CD2-O 3.34Å; L258-M260 HydrophobicContact CG-CG 3.75Å; L258-M260 WeakPolarHBondContact CG-O 3.12Å; L258-M260 PolarHBondContact O-N 3.33Å
261	T	98.2	Very high	96.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-110.9	-3.3	-173.7	51.2	0	0	0	0	114.1	H226 P228 E233 R236 I237 V254 V274	H226-T261 PolarHBondContact O-N 3.49Å; H226-T261 PolarHBondContact O-OG1 3.19Å; H226-T261 VanDerWaalsContact O-OG1 3.06Å; P228-T261 HydrophobicContact CB-CG2 4.18Å; P228-T261 HydrophobicContact CG-CG2 3.86Å; E233-T261 HydrophobicContact CB-CG2 3.97Å; E233-T261 WeakPolarHBondContact CB-OG1 3.37Å; E233-T261 WeakPolarHBondContact CG-OG1 3.44Å; E233-T261 WeakPolarHBondContact OE2-CB 3.39Å; E233-T261 PolarHBondContact OE2-OG1 2.9Å; R236-T261 PolarHBondContact NH2-O 2.84Å; I237-T261 HydrophobicContact CD1-CG2 4.37Å; I237-T261 HydrophobicContact CG1-CG2 4Å; V254-T261 HydrophobicContact CG2-CG2 3.83Å; T261-V274 WeakPolarHBondContact O-CA 3.07Å
262	R	98.8	Very high	96.7	Very high	18 Å²	18	24.1 Å²	24.1	7%	0.068	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-140.6	140.3	172.1	-56	-167.2	-163.1	-177.1	15.7	109.1	V206 G207 H226 R230 E233 I275 E277 E279	V206-R262 HydrophobicContact CB-CB 3.76Å; V206-R262 HydrophobicContact CG1-CB 3.93Å; G207-R262 WeakPolarHBondContact CA-O 3.32Å; G207-R262 PolarHBondContact N-O 2.84Å; G207-R262 VanDerWaalsContact N-O 3.13Å; H226-R262 HydrophobicContact CB-CB 4.1Å; H226-R262 HydrophobicContact CB-CG 4.03Å; H226-R262 VanDerWaalsContact CD2-CD 3.43Å; H226-R262 WeakPolarHBondContact CD2-CD 3.46Å; H226-R262 PolarHBondContact CD2-NE 3.35Å; R230-R262 VanDerWaalsContact NH2-NH2 3.13Å; E233-R262 IonicContact OE1-CZ 2.9Å; E233-R262 IonicContact OE1-NE 3.3Å; E233-R262 PolarHBondContact OE1-NE 3.17Å; E233-R262 IonicContact OE1-NH2 3.46Å; E233-R262 PolarHBondContact OE1-NH2 2.92Å; E233-R262 WeakPolarHBondContact OE2-CG 3.31Å; E233-R262 IonicContact OE2-NE 3.67Å; E233-R262 PolarHBondContact OE2-NE 3.16Å; E233-R262 VanDerWaalsContact OE2-NE 3.07Å; R262-I275 WeakPolarHBondContact CA-O 3.36Å; R262-I275 VanDerWaalsContact CB-O 3.26Å; R262-I275 WeakPolarHBondContact CB-O 3.46Å; R262-I275 HydrophobicContact CG-CG1 3.86Å; R262-E277 WeakPolarHBondContact CD-O 3.29Å; R262-E277 PolarHBondContact NH1-O 3.11Å; R262-E279 IonicContact CZ-OE1 3.59Å; R262-E279 VanDerWaalsContact NH1-CG 3.33Å; R262-E279 IonicContact NH1-OE1 3.61Å; R262-E279 IonicContact NH2-OE1 3.41Å; R262-E279 PolarHBondContact NH2-OE1 3.1Å
263	S	98.6	Very high	96.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.			trans	-164.1	160.6	179.5	63.7	0	0	0	0	110.4	D266 K270 V274 I275 A276	S263-D266 VanDerWaalsContact CB-OD2 3.25Å; S263-D266 WeakPolarHBondContact CB-OD2 3.34Å; S263-D266 PolarHBondContact OG-OD2 3.16Å; S263-K270 PolarHBondContact O-NZ 3.29Å; S263-V274 WeakPolarHBondContact OG-CG1 3.29Å; S263-I275 PolarHBondContact N-O 3.13Å; S263-I275 VanDerWaalsContact N-O 3.11Å; S263-A276 WeakPolarHBondContact O-CA 3.29Å
264	I	98.8	Very high	96.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.6	162.3	-58	-179.7	0	0	0	107.3	M142 F164 I167 D168 G187 T188 A190 V206	M142-I264 HydrophobicContact CE-CD1 4.25Å; F164-I264 HydrophobicContact CD1-CD1 4.18Å; I167-I264 HydrophobicContact CG2-CD1 3.84Å; I167-I264 HydrophobicContact CG2-CG2 3.78Å; D168-I264 HydrophobicContact CB-CG2 4.15Å; G187-I264 CarbonylContact C-O 3.57Å; G187-I264 VanDerWaalsContact CA-O 3.24Å; G187-I264 WeakPolarHBondContact CA-O 3.35Å; T188-I264 HydrophobicContact CG2-CB 4.06Å; T188-I264 PolarHBondContact N-O 3.07Å; T188-I264 PolarHBondContact O-N 2.95Å; A190-I264 HydrophobicContact CB-CD1 3.64Å; A190-I264 HydrophobicContact CB-CG1 4.36Å; V206-I264 HydrophobicContact CG2-CG1 4.05Å
265	G	98.2	Very high	97	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.4	-140.6	-173.2	0	0	0	0	0	113	D168 L267 K270	D168-G265 PolarHBondContact OD1-N 2.99Å; G265-L267 VanDerWaalsContact C-N 3.35Å; G265-L267 PolarHBondContact O-N 2.9Å; G265-K270 WeakPolarHBondContact O-CE 3.12Å; G265-K270 PolarHBondContact O-NZ 3.24Å
266	D	97.8	Very high	97.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.129	C	C	.	.			trans	47.4	53.3	-176.9	-63.6	-62.6	0	0	0	113.1	H129 S186 R257 S263 D268 L269 K270	H129-D266 IonicContact CD2-OD1 2.87Å; H129-D266 IonicContact CE1-OD2 3.74Å; H129-D266 PolarHBondContact CE1-OD2 2.88Å; H129-D266 VanDerWaalsContact CE1-OD2 3.3Å; H129-D266 VanDerWaalsContact NE2-CG 3.26Å; H129-D266 IonicContact NE2-OD1 3.34Å; H129-D266 PolarHBondContact NE2-OD1 3.27Å; H129-D266 IonicContact NE2-OD2 3.25Å; H129-D266 PolarHBondContact NE2-OD2 3.25Å; S186-D266 PolarHBondContact O-N 2.82Å; R257-D266 IonicContact NH2-OD1 3.16Å; R257-D266 PolarHBondContact NH2-OD1 3.45Å; S263-D266 VanDerWaalsContact CB-OD2 3.25Å; S263-D266 WeakPolarHBondContact CB-OD2 3.34Å; S263-D266 PolarHBondContact OG-OD2 3.16Å; D266-D268 PolarHBondContact O-N 2.96Å; D266-D268 VanDerWaalsContact O-N 3.1Å; D266-L269 HydrophobicContact CB-CB 4.3Å; D266-L269 HydrophobicContact CB-CD1 4.5Å; D266-L269 PolarHBondContact O-N 3.3Å; D266-K270 WeakPolarHBondContact O-CG 3.5Å; D266-K270 PolarHBondContact O-N 2.91Å
267	L	96.9	Very high	97.4	Very high	17 Å²	17	24.8 Å²	24.8	9%	0.089	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.2	-167.2	-86.6	63.4	0	0	0	113.1	F171 A175 R176 L184 G265 L269	F171-L267 HydrophobicContact CD1-CD1 4.09Å; F171-L267 HydrophobicContact CE1-CD1 4.01Å; A175-L267 HydrophobicContact CB-CD1 4.47Å; A175-L267 HydrophobicContact CB-CD2 4.01Å; R176-L267 HydrophobicContact CG-CD2 3.93Å; L184-L267 HydrophobicContact CD2-CD2 3.76Å; L184-L267 PolarHBondContact O-N 3.26Å; L184-L267 VanDerWaalsContact O-N 3.13Å; G265-L267 VanDerWaalsContact C-N 3.35Å; G265-L267 PolarHBondContact O-N 2.9Å; L267-L269 VanDerWaalsContact C-N 3.33Å
268	D	95.3	Very high	97.6	Very high	72 Å²	72	22 Å²	22	39%	0.385	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-24.6	178.5	68	-51.5	0	0	0	113.2	R257 D266	R257-D268 IonicContact CZ-OD1 3.75Å; R257-D268 IonicContact CZ-OD2 3.91Å; R257-D268 IonicContact NH1-OD1 2.67Å; R257-D268 PolarHBondContact NH1-OD1 3.43Å; R257-D268 IonicContact NH1-OD2 2.66Å; R257-D268 PolarHBondContact NH1-OD2 2.86Å; R257-D268 IonicContact NH2-OD1 3.97Å; D266-D268 PolarHBondContact O-N 2.96Å; D266-D268 VanDerWaalsContact O-N 3.1Å
269	L	97.4	Very high	97.8	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-11.9	179.8	-61	178.3	0	0	0	113.6	N255 L258 D266 L267 T271 S272 G273 V274	N255-L269 HydrophobicContact CB-CD2 3.93Å; L258-L269 HydrophobicContact CB-CD1 3.56Å; L258-L269 HydrophobicContact CD2-CD1 3.91Å; L258-L269 HydrophobicContact CG-CD1 4.35Å; D266-L269 HydrophobicContact CB-CB 4.3Å; D266-L269 HydrophobicContact CB-CD1 4.5Å; D266-L269 PolarHBondContact O-N 3.3Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L269-T271 VanDerWaalsContact C-N 3.27Å; L269-T271 PolarHBondContact O-N 2.92Å; L269-S272 CarbonylContact O-C 3.53Å; L269-S272 WeakPolarHBondContact O-CA 3.4Å; L269-S272 WeakPolarHBondContact O-CB 3.44Å; L269-S272 PolarHBondContact O-N 3.05Å; L269-G273 PolarHBondContact O-N 2.87Å; L269-V274 HydrophobicContact CB-CB 3.97Å; L269-V274 HydrophobicContact CB-CG2 3.73Å; L269-V274 HydrophobicContact CD1-CG2 4.49Å; L269-V274 PolarHBondContact O-N 2.97Å
270	K	97.8	Very high	97.9	Very high	47 Å²	47	26.2 Å²	26.2	20%	0.204	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-55.4	-39.9	177.4	-73.1	-87.2	167.4	-65.7	0	112.5	D168 S263 G265 D266 S272 G273 V274	D168-K270 VanDerWaalsContact CG-CE 3.49Å; D168-K270 WeakPolarHBondContact OD1-CE 3.39Å; D168-K270 IonicContact OD1-NZ 2.93Å; D168-K270 WeakPolarHBondContact OD2-CE 3.47Å; S263-K270 PolarHBondContact O-NZ 3.29Å; G265-K270 WeakPolarHBondContact O-CE 3.12Å; G265-K270 PolarHBondContact O-NZ 3.24Å; D266-K270 WeakPolarHBondContact O-CG 3.5Å; D266-K270 PolarHBondContact O-N 2.91Å; K270-S272 VanDerWaalsContact C-N 3.3Å; K270-S272 PolarHBondContact O-N 3.12Å; K270-G273 PolarHBondContact O-N 3.35Å; K270-V274 WeakPolarHBondContact CA-O 3.46Å; K270-V274 VanDerWaalsContact CD-O 3.22Å; K270-V274 WeakPolarHBondContact CD-O 3.47Å; K270-V274 PolarHBondContact NZ-O 3.38Å
271	T	97	Very high	98	Very high	113 Å²	113	29.7 Å²	29.7	69%	0.693	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-73.1	-22.8	175.9	56.9	0	0	0	0	113.2	C240 L269 G273	C240-T271 VanDerWaalsContact O-O 3.13Å; L269-T271 VanDerWaalsContact C-N 3.27Å; L269-T271 PolarHBondContact O-N 2.92Å; T271-G273 VanDerWaalsContact C-N 3.26Å; T271-G273 PolarHBondContact O-N 3.5Å
272	S	97.5	Very high	98	Very high	15 Å²	15	36.3 Å²	36.3	11%	0.105	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-85.6	6.5	178.1	-60.4	0	0	0	0	113.2	I237 N255 L269 K270	I237-S272 WeakPolarHBondContact CD1-O 3.48Å; N255-S272 PolarHBondContact ND2-OG 3.45Å; L269-S272 CarbonylContact O-C 3.53Å; L269-S272 WeakPolarHBondContact O-CA 3.4Å; L269-S272 WeakPolarHBondContact O-CB 3.44Å; L269-S272 PolarHBondContact O-N 3.05Å; K270-S272 VanDerWaalsContact C-N 3.3Å; K270-S272 PolarHBondContact O-N 3.12Å
273	G	97.3	Very high	98	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.6	6.8	175.1	0	0	0	0	0	115.4	R236 L269 K270 T271 I275	R236-G273 PolarHBondContact NE-O 3.09Å; L269-G273 PolarHBondContact O-N 2.87Å; K270-G273 PolarHBondContact O-N 3.35Å; T271-G273 VanDerWaalsContact C-N 3.26Å; T271-G273 PolarHBondContact O-N 3.5Å; G273-I275 PolarHBondContact O-N 3.49Å
274	V	98.4	Very high	97.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.203	C	C	.	.			trans	-80.6	91.2	171.8	-177.1	0	0	0	0	109.7	I237 V254 L258 T261 S263 L269 K270	I237-V274 HydrophobicContact CD1-CG2 4.13Å; V254-V274 HydrophobicContact CB-CG2 4.47Å; V254-V274 HydrophobicContact CG1-CG2 3.93Å; L258-V274 HydrophobicContact CD2-CG1 3.77Å; L258-V274 HydrophobicContact CD2-CG2 4.2Å; T261-V274 WeakPolarHBondContact O-CA 3.07Å; S263-V274 WeakPolarHBondContact OG-CG1 3.29Å; L269-V274 HydrophobicContact CB-CB 3.97Å; L269-V274 HydrophobicContact CB-CG2 3.73Å; L269-V274 HydrophobicContact CD1-CG2 4.49Å; L269-V274 PolarHBondContact O-N 2.97Å; K270-V274 WeakPolarHBondContact CA-O 3.46Å; K270-V274 VanDerWaalsContact CD-O 3.22Å; K270-V274 WeakPolarHBondContact CD-O 3.47Å; K270-V274 PolarHBondContact NZ-O 3.38Å
275	I	98.6	Very high	97.8	Very high	46 Å²	46	41.8 Å²	41.8	24%	0.236	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-90.9	156.6	-172.5	62.9	178.3	0	0	0	112.6	R262 S263 G273 E277	R262-I275 WeakPolarHBondContact CA-O 3.36Å; R262-I275 VanDerWaalsContact CB-O 3.26Å; R262-I275 WeakPolarHBondContact CB-O 3.46Å; R262-I275 HydrophobicContact CG-CG1 3.86Å; S263-I275 PolarHBondContact N-O 3.13Å; S263-I275 VanDerWaalsContact N-O 3.11Å; G273-I275 PolarHBondContact O-N 3.49Å; I275-E277 HydrophobicContact CD1-CB 4.09Å; I275-E277 HydrophobicContact CG1-CB 4.48Å
276	A	98.7	Very high	97.5	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.033	22%	0.222	C	C	.	.			trans	-95.3	0.7	173.3	0	0	0	0	0	113.6	D168 S263 P278	D168-A276 HydrophobicContact CB-CB 3.47Å; D168-A276 VanDerWaalsContact CB-CB 3.47Å; D168-A276 VanDerWaalsContact CG-CB 3.4Å; S263-A276 WeakPolarHBondContact O-CA 3.29Å; A276-P278 WeakPolarHBondContact O-CD 3.2Å
277	E	98.7	Very high	97.1	Very high	98 Å²	98	46.2 Å²	46.2	46%	0.458	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-71	118.2	177.6	-171.1	-177.7	154.3	0	0	110.7	I161 L165 R262 I275	I161-E277 HydrophobicContact CG2-CG 4.49Å; L165-E277 HydrophobicContact CD2-CB 4.22Å; R262-E277 WeakPolarHBondContact CD-O 3.29Å; R262-E277 PolarHBondContact NH1-O 3.11Å; I275-E277 HydrophobicContact CD1-CB 4.09Å; I275-E277 HydrophobicContact CG1-CB 4.48Å
278	P	98.7	Very high	96.6	Very high	6 Å²	6	46.3 Å²	46.3	4%	0.039	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-79.5	154.8	-175.4	31.7	-34.1	0	0	0	112.5	I161 F164 A204 S205 V206 A276 T280	I161-P278 HydrophobicContact CB-CG 4.45Å; I161-P278 HydrophobicContact CG1-CG 3.97Å; F164-P278 HydrophobicContact CB-CG 3.99Å; F164-P278 HydrophobicContact CD1-CB 3.66Å; F164-P278 HydrophobicContact CD1-CG 3.83Å; F164-P278 HydrophobicContact CD2-CG 4.25Å; F164-P278 HydrophobicContact CE1-CB 3.8Å; F164-P278 HydrophobicContact CE1-CG 4.34Å; F164-P278 HydrophobicContact CG-CB 4.13Å; F164-P278 HydrophobicContact CG-CG 3.77Å; F164-P278 HydrophobicContact CZ-CB 4.38Å; A204-P278 HydrophobicContact CB-CB 3.96Å; A204-P278 HydrophobicContact CB-CG 4.14Å; S205-P278 VanDerWaalsContact O-CA 3.26Å; S205-P278 WeakPolarHBondContact O-CA 3.12Å; S205-P278 WeakPolarHBondContact O-CB 3.49Å; V206-P278 HydrophobicContact CG1-CB 4.07Å; A276-P278 WeakPolarHBondContact O-CD 3.2Å; P278-T280 HydrophobicContact CG-CG2 4.5Å
279	E	98.7	Very high	96.4	Very high	58 Å²	58	44.7 Å²	44.7	27%	0.271	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	137	157.3	-66.1	-171.5	157.2	0	0	109.3	A204 S205 H226 R230 R262	A204-E279 CarbonylContact C-O 3.58Å; A204-E279 WeakPolarHBondContact CA-O 3.3Å; S205-E279 PolarHBondContact N-O 3.01Å; S205-E279 PolarHBondContact O-N 3.11Å; H226-E279 WeakPolarHBondContact NE2-CG 3.45Å; H226-E279 IonicContact NE2-OE2 2.69Å; H226-E279 PolarHBondContact NE2-OE2 2.79Å; R230-E279 IonicContact CZ-OE1 3.95Å; R230-E279 IonicContact CZ-OE2 3.67Å; R230-E279 IonicContact NH1-OE1 3.94Å; R230-E279 PolarHBondContact NH1-OE1 3.25Å; R230-E279 IonicContact NH1-OE2 3.02Å; R230-E279 PolarHBondContact NH1-OE2 3.21Å; R230-E279 IonicContact NH2-OE1 2.79Å; R230-E279 PolarHBondContact NH2-OE1 3.17Å; R230-E279 IonicContact NH2-OE2 2.68Å; R262-E279 IonicContact CZ-OE1 3.59Å; R262-E279 VanDerWaalsContact NH1-CG 3.33Å; R262-E279 IonicContact NH1-OE1 3.61Å; R262-E279 IonicContact NH2-OE1 3.41Å; R262-E279 PolarHBondContact NH2-OE1 3.1Å
280	T	98.6	Very high	96.3	Very high	45 Å²	45	44.5 Å²	44.5	28%	0.276	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	150.1	-177.5	56.7	0	0	0	0	111.5	E157 I161 V203 A204 P278	E157-T280 HydrophobicContact CB-CG2 4.37Å; I161-T280 HydrophobicContact CD1-CG2 4.09Å; I161-T280 HydrophobicContact CG1-CG2 3.81Å; V203-T280 CarbonylContact O-C 3.59Å; V203-T280 WeakPolarHBondContact O-CA 3.47Å; A204-T280 HydrophobicContact CB-CG2 3.85Å; P278-T280 HydrophobicContact CG-CG2 4.5Å
281	K	98.6	Very high	96	Very high	81 Å²	81	42.3 Å²	42.3	35%	0.352	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	120.6	173.6	-171.8	167.3	177.2	174.3	0	110.6	V202 V203 K221 L222 I283	V202-K281 WeakPolarHBondContact CA-O 3.26Å; V203-K281 PolarHBondContact N-O 2.97Å; V203-K281 PolarHBondContact O-N 3.18Å; K221-K281 PolarHBondContact O-NZ 2.87Å; L222-K281 HydrophobicContact CD2-CD 4.42Å; L222-K281 WeakPolarHBondContact O-CD 3.35Å; K281-I283 HydrophobicContact CG-CG2 4.32Å
282	R	98.6	Very high	96	Very high	138 Å²	138	37 Å²	37	52%	0.521	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.1	174.8	178.1	169	-174.7	-117.2	2.6	111.9	E157 E200 V202	E157-R282 HydrophobicContact CG-CB 4.19Å; E200-R282 IonicContact OE1-CZ 2.63Å; E200-R282 IonicContact OE1-NE 3.72Å; E200-R282 PolarHBondContact OE1-NE 2.82Å; E200-R282 IonicContact OE1-NH2 2.74Å; E200-R282 PolarHBondContact OE1-NH2 2.92Å; V202-R282 HydrophobicContact CG2-CB 3.96Å; V202-R282 HydrophobicContact CG2-CG 3.82Å
283	I	97.9	Very high	96	Very high	26 Å²	26	36.2 Å²	36.2	13%	0.133	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	156.8	173.8	69.7	175.1	0	0	0	111.1	L201 L213 L222 K281 L285	L201-I283 HydrophobicContact CB-CD1 4.41Å; L201-I283 HydrophobicContact CB-CG1 3.8Å; L201-I283 HydrophobicContact CD2-CD1 3.86Å; L201-I283 HydrophobicContact CD2-CG1 4.13Å; L201-I283 HydrophobicContact CG-CG1 4.26Å; L201-I283 PolarHBondContact N-O 3.4Å; L201-I283 PolarHBondContact O-N 2.59Å; L201-I283 VanDerWaalsContact O-O 3.1Å; L213-I283 HydrophobicContact CD2-CD1 3.6Å; L222-I283 HydrophobicContact CD1-CD1 4.28Å; L222-I283 HydrophobicContact CD2-CD1 3.81Å; L222-I283 HydrophobicContact CD2-CG2 4.38Å; K281-I283 HydrophobicContact CG-CG2 4.32Å; I283-L285 HydrophobicContact CD1-CD2 4.46Å
284	K	97	Very high	96.1	Very high	105 Å²	105	36.2 Å²	36.2	46%	0.457	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.7	168.9	-167	176.2	179.6	175.6	0	109.3	I199 R215	I199-K284 HydrophobicContact CD1-CD 4.44Å; I199-K284 HydrophobicContact CD1-CG 4.23Å; I199-K284 HydrophobicContact CG1-CG 3.84Å; I199-K284 CarbonylContact O-C 3.55Å; I199-K284 WeakPolarHBondContact O-CA 3.37Å; R215-K284 PolarHBondContact NH2-O 3.36Å
285	L	95.4	Very high	96.1	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	17%	0.171	C	C	.	.			trans	-71.9	145.5	174.5	-63.5	-174.2	0	0	0	111.1	L195 I199 L201 L213 I283 D290 F346	L195-L285 HydrophobicContact CD1-CD1 3.58Å; L195-L285 HydrophobicContact CD1-CG 4.23Å; L195-L285 HydrophobicContact CD2-CD1 4.16Å; I199-L285 HydrophobicContact CG1-CB 4.48Å; I199-L285 PolarHBondContact O-N 2.72Å; L201-L285 HydrophobicContact CB-CD2 4.19Å; L201-L285 HydrophobicContact CB-CG 4.3Å; L201-L285 HydrophobicContact CD2-CD2 4.19Å; L213-L285 HydrophobicContact CD1-CD2 3.98Å; L213-L285 HydrophobicContact CD2-CD2 4.49Å; I283-L285 HydrophobicContact CD1-CD2 4.46Å; L285-D290 VanDerWaalsContact CA-OD2 3.28Å; L285-D290 WeakPolarHBondContact CA-OD2 3.5Å; L285-F346 HydrophobicContact CD1-CD1 3.96Å; L285-F346 HydrophobicContact CD1-CD2 4.15Å; L285-F346 HydrophobicContact CD1-CE1 3.81Å; L285-F346 HydrophobicContact CD1-CE2 3.98Å; L285-F346 HydrophobicContact CD1-CG 4.15Å; L285-F346 HydrophobicContact CD1-CZ 3.82Å; L285-F346 HydrophobicContact CD2-CD2 4.18Å; L285-F346 HydrophobicContact CD2-CE2 3.86Å; L285-F346 HydrophobicContact CD2-CZ 4.36Å
286	H	92.8	Very high	96.1	Very high	83 Å²	83	34 Å²	34	38%	0.384	16%	0.16	S	C	.	.			trans	-120.9	90.7	171.5	-68.6	-52.6	0	0	0	108.1	A288 D289 D290	H286-A288 PolarHBondContact O-N 2.87Å; H286-D289 HydrophobicContact CB-CB 4.11Å; H286-D289 CarbonylContact O-C 3.52Å; H286-D289 WeakPolarHBondContact O-CA 3.45Å; H286-D289 PolarHBondContact O-N 2.96Å; H286-D290 PolarHBondContact N-OD2 3.14Å; H286-D290 WeakPolarHBondContact O-CB 3.48Å; H286-D290 PolarHBondContact O-N 3.5Å
287	H	88.4	Confident	96.1	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.046	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.6	-175.1	-71.1	-64.2	0	0	0	115.5	W67 P88 G198 G347 A348	W67-H287 HydrophobicContact CZ2-CB 3.79Å; P88-H287 WeakPolarHBondContact CD-CD2 3.44Å; P88-H287 HydrophobicContact CG-CB 4.16Å; G198-H287 PolarHBondContact O-CE1 2.89Å; G198-H287 VanDerWaalsContact O-CE1 3.31Å; G198-H287 PolarHBondContact O-NE2 2.91Å; H287-G347 PolarHBondContact ND1-N 2.69Å; H287-G347 CarbonylContact O-C 3.6Å; H287-G347 WeakPolarHBondContact O-CA 3.12Å; H287-A348 PolarHBondContact O-N 3.35Å
288	A	87.9	Confident	95.9	Very high	19 Å²	19	29.5 Å²	29.5	16%	0.157	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-24.4	171.7	0	0	0	0	0	114.1	D62 H286 K351 Y352	D62-A288 HydrophobicContact CB-CB 3.75Å; H286-A288 PolarHBondContact O-N 2.87Å; A288-K351 PolarHBondContact O-NZ 3.23Å; A288-K351 VanDerWaalsContact O-NZ 3.08Å; A288-Y352 PolarHBondContact O-OH 3.09Å
289	D	90.9	Very high	95.6	Very high	39 Å²	39	29.2 Å²	29.2	21%	0.209	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-31	-168.9	-70.8	-19.2	0	0	0	113.3	R215 K216 H286 Y352	R215-D289 HydrophobicContact CG-CB 4.19Å; K216-D289 WeakPolarHBondContact CE-OD1 3.33Å; K216-D289 WeakPolarHBondContact CE-OD2 3.17Å; K216-D289 HydrophobicContact CG-CB 4.13Å; K216-D289 PolarHBondContact N-O 3Å; K216-D289 IonicContact NZ-OD1 2.95Å; K216-D289 IonicContact NZ-OD2 3.54Å; K216-D289 PolarHBondContact NZ-OD2 2.93Å; H286-D289 HydrophobicContact CB-CB 4.11Å; H286-D289 CarbonylContact O-C 3.52Å; H286-D289 WeakPolarHBondContact O-CA 3.45Å; H286-D289 PolarHBondContact O-N 2.96Å; D289-Y352 WeakPolarHBondContact O-CE2 3.26Å
290	D	94.2	Very high	95.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117.9	-175.3	-70.4	-20.3	0	0	0	110.9	L213 R215 L285 H286 F346 A348	L213-D290 HydrophobicContact CD1-CB 4.29Å; R215-D290 WeakPolarHBondContact CB-OD1 3.48Å; R215-D290 VanDerWaalsContact CG-OD1 3.3Å; R215-D290 WeakPolarHBondContact CG-OD1 3.3Å; R215-D290 IonicContact CZ-OD1 2.9Å; R215-D290 VanDerWaalsContact CZ-OD1 3.31Å; R215-D290 IonicContact CZ-OD2 2.71Å; R215-D290 IonicContact NE-OD1 3.18Å; R215-D290 PolarHBondContact NE-OD1 2.91Å; R215-D290 IonicContact NE-OD2 2.72Å; R215-D290 IonicContact NH2-OD1 3.31Å; R215-D290 PolarHBondContact NH2-OD1 3.11Å; R215-D290 IonicContact NH2-OD2 3.62Å; R215-D290 PolarHBondContact NH2-OD2 3.41Å; L285-D290 VanDerWaalsContact CA-OD2 3.28Å; L285-D290 WeakPolarHBondContact CA-OD2 3.5Å; H286-D290 PolarHBondContact N-OD2 3.14Å; H286-D290 WeakPolarHBondContact O-CB 3.48Å; H286-D290 PolarHBondContact O-N 3.5Å; D290-F346 HydrophobicContact CB-CD2 4.38Å; D290-F346 WeakPolarHBondContact O-CB 3.43Å; D290-A348 VanDerWaalsContact O-CB 3.26Å; D290-A348 WeakPolarHBondContact O-CB 3.48Å; D290-A348 PolarHBondContact O-N 2.85Å
291	S	92.2	Very high	95.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-42.4	-173.6	-63.8	0	0	0	0	113	C214 F346 A348 Y352	C214-S291 PolarHBondContact O-N 2.74Å; S291-F346 PolarHBondContact O-N 3.29Å; S291-A348 WeakPolarHBondContact CB-O 3.41Å; S291-A348 PolarHBondContact OG-O 3.41Å; S291-Y352 VanDerWaalsContact OG-CD2 3.25Å; S291-Y352 WeakPolarHBondContact OG-CD2 3.41Å
292	F	96.6	Very high	94.5	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	158.6	-177.7	50.4	-96.3	0	0	0	112.6	C214 V294 C310 V313 N314 V343 V344 W349	C214-F292 HydrophobicContact CB-CD1 3.96Å; C214-F292 HydrophobicContact CB-CD2 3.62Å; C214-F292 HydrophobicContact CB-CE1 3.58Å; C214-F292 HydrophobicContact CB-CE2 3.24Å; C214-F292 HydrophobicContact CB-CG 3.98Å; C214-F292 HydrophobicContact CB-CZ 3.21Å; C214-F292 PolarHBondContact N-O 3.41Å; C214-F292 WeakPolarHBondContact SG-CZ 3.17Å; F292-V294 HydrophobicContact CD2-CG2 3.39Å; F292-V294 HydrophobicContact CE2-CG2 3.52Å; F292-C310 HydrophobicContact CZ-CB 4.35Å; F292-V313 HydrophobicContact CD1-CG1 3.61Å; F292-V313 HydrophobicContact CD2-CG1 3.87Å; F292-V313 HydrophobicContact CE1-CB 3.92Å; F292-V313 HydrophobicContact CE1-CG1 3.36Å; F292-V313 HydrophobicContact CE2-CB 3.8Å; F292-V313 HydrophobicContact CE2-CG1 3.61Å; F292-V313 HydrophobicContact CE2-CG2 4.14Å; F292-V313 HydrophobicContact CG-CG1 3.86Å; F292-V313 HydrophobicContact CZ-CB 3.46Å; F292-V313 VanDerWaalsContact CZ-CB 3.46Å; F292-V313 HydrophobicContact CZ-CG1 3.35Å; F292-V313 HydrophobicContact CZ-CG2 4.29Å; F292-N314 WeakPolarHBondContact CE1-OD1 3.42Å; F292-V343 HydrophobicContact CB-CG1 4.38Å; F292-V344 CarbonylContact C-O 3.6Å; F292-V344 WeakPolarHBondContact CA-O 3.17Å; F292-V344 WeakPolarHBondContact CB-O 3.39Å; F292-W349 HydrophobicContact CB-CE3 3.85Å; F292-W349 HydrophobicContact CB-CZ3 3.76Å; F292-W349 AromaticContact CD1-CE3 3.71Å; F292-W349 HydrophobicContact CD1-CE3 3.71Å; F292-W349 AromaticContact CD1-CZ3 3.53Å; F292-W349 HydrophobicContact CD1-CZ3 3.53Å; F292-W349 HydrophobicContact CE1-CZ3 4.36Å; F292-W349 HydrophobicContact CG-CE3 4.17Å; F292-W349 AromaticContact CG-CZ3 3.84Å; F292-W349 HydrophobicContact CG-CZ3 3.84Å
293	L	98.5	Very high	94.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	137.1	162	167.9	69.6	0	0	0	108.8	A193 L201 A211 I212 L222 L295 V344 F346	A193-L293 HydrophobicContact CB-CD2 3.85Å; L201-L293 HydrophobicContact CD1-CD2 4.21Å; L201-L293 HydrophobicContact CD2-CD1 4.39Å; L201-L293 HydrophobicContact CD2-CD2 4.38Å; A211-L293 HydrophobicContact CB-CD1 4.25Å; I212-L293 CarbonylContact O-C 3.11Å; I212-L293 WeakPolarHBondContact O-CA 3.24Å; L222-L293 HydrophobicContact CD1-CD1 3.77Å; L293-L295 HydrophobicContact CD1-CD2 4.15Å; L293-L295 HydrophobicContact CD2-CD2 4.39Å; L293-L295 HydrophobicContact CG-CD2 4.27Å; L293-V344 HydrophobicContact CB-CB 4.22Å; L293-V344 PolarHBondContact N-O 2.67Å; L293-V344 PolarHBondContact O-N 2.66Å; L293-F346 HydrophobicContact CB-CE2 3.59Å; L293-F346 HydrophobicContact CB-CZ 3.67Å
294	V	98.6	Very high	93.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.9	169.1	-167.6	0	0	0	0	109.8	A211 I212 F292 T296 I309 V313 V342 V343	A211-V294 CarbonylContact C-O 3.56Å; A211-V294 WeakPolarHBondContact CA-O 3.25Å; I212-V294 PolarHBondContact N-O 2.99Å; I212-V294 PolarHBondContact O-N 2.97Å; F292-V294 HydrophobicContact CD2-CG2 3.39Å; F292-V294 HydrophobicContact CE2-CG2 3.52Å; V294-T296 HydrophobicContact CG1-CG2 3.78Å; V294-I309 HydrophobicContact CB-CG2 4.29Å; V294-I309 HydrophobicContact CG1-CG2 4.03Å; V294-I309 HydrophobicContact CG2-CG2 4.19Å; V294-V313 HydrophobicContact CG2-CG2 4.17Å; V294-V342 CarbonylContact C-O 3.57Å; V294-V342 VanDerWaalsContact CA-O 3.24Å; V294-V342 WeakPolarHBondContact CA-O 3.45Å; V294-V343 HydrophobicContact CG1-CG2 4.15Å; V294-V343 HydrophobicContact CG2-CG1 4.49Å; V294-V343 HydrophobicContact CG2-CG2 4.33Å
295	L	98.8	Very high	93.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.3	166.7	-51.3	-177.3	0	0	0	109.3	F123 V125 T191 R210 A211 L293 A341 V342	F123-L295 HydrophobicContact CB-CD1 3.95Å; V125-L295 HydrophobicContact CB-CB 4.46Å; V125-L295 HydrophobicContact CG1-CB 3.67Å; V125-L295 HydrophobicContact CG1-CD1 4.25Å; V125-L295 HydrophobicContact CG2-CB 3.92Å; T191-L295 HydrophobicContact CG2-CD2 4.15Å; R210-L295 CarbonylContact O-C 3.58Å; R210-L295 VanDerWaalsContact O-CA 3.26Å; R210-L295 WeakPolarHBondContact O-CA 3.31Å; A211-L295 HydrophobicContact CB-CD2 3.43Å; A211-L295 VanDerWaalsContact CB-CD2 3.43Å; L293-L295 HydrophobicContact CD1-CD2 4.15Å; L293-L295 HydrophobicContact CD2-CD2 4.39Å; L293-L295 HydrophobicContact CG-CD2 4.27Å; L295-A341 CarbonylContact O-C 3.51Å; L295-A341 VanDerWaalsContact O-CA 3.3Å; L295-A341 WeakPolarHBondContact O-CA 3.32Å; L295-V342 HydrophobicContact CB-CB 4.27Å; L295-V342 PolarHBondContact N-O 3.39Å; L295-V342 PolarHBondContact O-N 3.34Å
296	T	98.6	Very high	93.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.9	-179.3	53.8	0	0	0	0	113.5	S209 R210 V294 I300 N301 I309 T340 A341	S209-T296 CarbonylContact C-O 3.55Å; S209-T296 WeakPolarHBondContact CA-O 3.15Å; R210-T296 PolarHBondContact N-O 2.81Å; R210-T296 PolarHBondContact O-N 2.95Å; V294-T296 HydrophobicContact CG1-CG2 3.78Å; T296-I300 HydrophobicContact CG2-CD1 3.93Å; T296-I300 HydrophobicContact CG2-CG2 4.22Å; T296-N301 PolarHBondContact O-ND2 3.36Å; T296-N301 PolarHBondContact OG1-OD1 3.38Å; T296-I309 HydrophobicContact CG2-CD1 4.1Å; T296-T340 WeakPolarHBondContact CA-O 3.5Å; T296-A341 HydrophobicContact CG2-CB 4.27Å
297	T	98.3	Very high	93.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.			trans	-85.9	171.1	172.6	58	0	0	0	0	112.4	D109 V125 D127 G299 I300 N301 T340	D109-T297 PolarHBondContact OD2-OG1 2.94Å; V125-T297 HydrophobicContact CB-CG2 4.32Å; D127-T297 HydrophobicContact CB-CG2 3.9Å; D127-T297 WeakPolarHBondContact OD2-CB 3.46Å; T297-G299 VanDerWaalsContact C-N 3.3Å; T297-G299 PolarHBondContact O-N 3.4Å; T297-I300 PolarHBondContact O-N 3.48Å; T297-N301 VanDerWaalsContact O-CG 3.27Å; T297-N301 PolarHBondContact O-N 2.78Å; T297-N301 PolarHBondContact O-ND2 3.49Å; T297-N301 VanDerWaalsContact O-ND2 3.07Å; T297-T340 PolarHBondContact N-O 2.89Å; T297-T340 VanDerWaalsContact N-O 3.09Å; T297-T340 PolarHBondContact OG1-N 2.78Å
298	D	94.1	Very high	93.9	Very high	7 Å²	7	13.3 Å²	13.3	4%	0.037	7%	0.07	C	C	.	.	H	α-helix	trans	-66.7	-29.6	-166.2	83.7	-8	0	0	0	113.6	D127 I300 N301 F302 R370	D127-D298 PolarHBondContact OD2-N 2.98Å; D127-D298 VanDerWaalsContact OD2-N 3.15Å; D298-I300 PolarHBondContact O-N 2.83Å; D298-I300 VanDerWaalsContact O-N 3.16Å; D298-N301 PolarHBondContact O-N 3Å; D298-F302 HydrophobicContact CB-CD2 4.49Å; D298-F302 HydrophobicContact CB-CE2 3.72Å; D298-F302 HydrophobicContact CB-CZ 3.74Å; D298-F302 WeakPolarHBondContact O-CD2 3.22Å; D298-F302 WeakPolarHBondContact O-CG 3.42Å; D298-F302 PolarHBondContact O-N 3.45Å; D298-F302 WeakPolarHBondContact OD2-CE2 3.41Å; D298-F302 VanDerWaalsContact OD2-CZ 3.24Å; D298-F302 WeakPolarHBondContact OD2-CZ 3.41Å; D298-R370 IonicContact OD2-CZ 3.89Å; D298-R370 IonicContact OD2-NH1 3.2Å; D298-R370 PolarHBondContact OD2-NH1 3.22Å
299	G	92.3	Very high	94.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-57.9	-30.5	176.1	0	0	0	0	0	113.9	T297 T335 N338	T297-G299 VanDerWaalsContact C-N 3.3Å; T297-G299 PolarHBondContact O-N 3.4Å; G299-T335 VanDerWaalsContact O-CB 3.31Å; G299-T335 WeakPolarHBondContact O-CB 3.48Å; G299-T335 PolarHBondContact O-OG1 2.81Å; G299-N338 WeakPolarHBondContact CA-O 3.38Å
300	I	95.6	Very high	94.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-81.5	-46.8	170.7	-59.6	172.6	0	0	0	110.1	T296 T297 D298 F302 M303 V304 I309 V326 T327 A330 T340 A341	T296-I300 HydrophobicContact CG2-CD1 3.93Å; T296-I300 HydrophobicContact CG2-CG2 4.22Å; T297-I300 PolarHBondContact O-N 3.48Å; D298-I300 PolarHBondContact O-N 2.83Å; D298-I300 VanDerWaalsContact O-N 3.16Å; I300-F302 PolarHBondContact O-N 3.43Å; I300-F302 VanDerWaalsContact O-N 3.17Å; I300-M303 PolarHBondContact O-N 2.92Å; I300-M303 VanDerWaalsContact O-N 3.07Å; I300-V304 HydrophobicContact CG2-CB 4.1Å; I300-V304 HydrophobicContact CG2-CG2 4.34Å; I300-V304 PolarHBondContact O-N 3.48Å; I300-I309 HydrophobicContact CG2-CD1 4.23Å; I300-I309 HydrophobicContact CG2-CG1 4.48Å; I300-V326 HydrophobicContact CD1-CG1 4.16Å; I300-V326 HydrophobicContact CG2-CG1 3.73Å; I300-T327 HydrophobicContact CD1-CG2 3.89Å; I300-A330 HydrophobicContact CB-CB 4.44Å; I300-A330 HydrophobicContact CG1-CB 4.19Å; I300-T340 VanDerWaalsContact CD1-C 3.48Å; I300-T340 WeakPolarHBondContact CD1-O 3.48Å; I300-A341 HydrophobicContact CD1-CB 3.77Å
301	N	92.2	Very high	94.3	Very high	11 Å²	11	11 Å²	11	6%	0.059	6%	0.055	C	C	.	.	H	α-helix	trans	-61.9	-25.1	-171.2	-69	-31.9	0	0	0	114.4	D208 R210 T296 T297 D298	D208-N301 PolarHBondContact O-ND2 3.45Å; R210-N301 WeakPolarHBondContact CG-ND2 3.17Å; R210-N301 VanDerWaalsContact NH1-CB 3.32Å; R210-N301 PolarHBondContact NH1-O 2.97Å; T296-N301 PolarHBondContact O-ND2 3.36Å; T296-N301 PolarHBondContact OG1-OD1 3.38Å; T297-N301 VanDerWaalsContact O-CG 3.27Å; T297-N301 PolarHBondContact O-N 2.78Å; T297-N301 PolarHBondContact O-ND2 3.49Å; T297-N301 VanDerWaalsContact O-ND2 3.07Å; D298-N301 PolarHBondContact O-N 3Å
302	F	85.9	Confident	94.3	Very high	45 Å²	45	12.2 Å²	12.2	20%	0.197	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-37.9	174.9	-66.3	-43.7	0	0	0	113.3	D298 I300	D298-F302 HydrophobicContact CB-CD2 4.49Å; D298-F302 HydrophobicContact CB-CE2 3.72Å; D298-F302 HydrophobicContact CB-CZ 3.74Å; D298-F302 WeakPolarHBondContact O-CD2 3.22Å; D298-F302 WeakPolarHBondContact O-CG 3.42Å; D298-F302 PolarHBondContact O-N 3.45Å; D298-F302 WeakPolarHBondContact OD2-CE2 3.41Å; D298-F302 VanDerWaalsContact OD2-CZ 3.24Å; D298-F302 WeakPolarHBondContact OD2-CZ 3.41Å; I300-F302 PolarHBondContact O-N 3.43Å; I300-F302 VanDerWaalsContact O-N 3.17Å
303	M	90.2	Very high	94.2	Very high	11 Å²	11	12.2 Å²	12.2	5%	0.054	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-54	-178.4	-64	-55.1	127.9	0	0	110.1	I300 Y333 R363	I300-M303 PolarHBondContact O-N 2.92Å; I300-M303 VanDerWaalsContact O-N 3.07Å; M303-Y333 HydrophobicContact CB-CD2 4.29Å; M303-R363 VanDerWaalsContact O-CD 3.28Å; M303-R363 WeakPolarHBondContact O-CD 3.48Å; M303-R363 PolarHBondContact O-NE 3.19Å; M303-R363 PolarHBondContact O-NH1 2.96Å
304	V	91.1	Very high	93.9	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	6%	0.061	C	C	.	.	S	Bend	trans	-102.2	125	-167.7	-168.6	0	0	0	0	110.3	I300 E308 I309 F312 A330 Y333	I300-V304 HydrophobicContact CG2-CB 4.1Å; I300-V304 HydrophobicContact CG2-CG2 4.34Å; I300-V304 PolarHBondContact O-N 3.48Å; V304-E308 HydrophobicContact CG1-CB 3.49Å; V304-E308 VanDerWaalsContact CG1-CB 3.49Å; V304-I309 HydrophobicContact CB-CG1 4.28Å; V304-I309 HydrophobicContact CG1-CG1 3.73Å; V304-F312 HydrophobicContact CG1-CD2 4.1Å; V304-F312 HydrophobicContact CG1-CE2 3.74Å; V304-F312 HydrophobicContact CG2-CE2 4.5Å; V304-A330 HydrophobicContact CG2-CB 4.22Å; V304-Y333 HydrophobicContact CG2-CD2 3.97Å; V304-Y333 HydrophobicContact CG2-CE2 4.15Å
305	N	93.9	Very high	93.4	Very high	63 Å²	63	17 Å²	17	34%	0.337	8%	0.083	S	C	.	.			trans	-79.7	164.4	177.4	77.1	57.1	0	0	0	111.7	Q307 E308 I309	N305-Q307 VanDerWaalsContact C-N 3.26Å; N305-Q307 PolarHBondContact O-N 3.28Å; N305-Q307 WeakPolarHBondContact OD1-CA 3.22Å; N305-Q307 VanDerWaalsContact OD1-CB 3.32Å; N305-Q307 WeakPolarHBondContact OD1-CB 3.03Å; N305-Q307 PolarHBondContact OD1-N 3.05Å; N305-E308 VanDerWaalsContact CG-OE2 3.32Å; N305-E308 PolarHBondContact N-OE2 2.9Å; N305-E308 WeakPolarHBondContact ND2-CG 3.26Å; N305-E308 PolarHBondContact ND2-OE1 3.48Å; N305-E308 PolarHBondContact ND2-OE2 3.38Å; N305-E308 PolarHBondContact O-N 2.69Å; N305-E308 VanDerWaalsContact O-N 3.13Å; N305-E308 PolarHBondContact OD1-N 3.4Å; N305-I309 WeakPolarHBondContact O-CG1 3.32Å; N305-I309 PolarHBondContact O-N 3.22Å
306	S	95	Very high	93	Very high	8 Å²	8	17.5 Å²	17.5	6%	0.056	9%	0.086	C	C	.	.	H	α-helix	trans	-59.9	-30.4	-176.6	-51	0	0	0	0	114.8	I212 K221 C310	I212-S306 WeakPolarHBondContact CD1-OG 3.48Å; K221-S306 WeakPolarHBondContact CE-OG 3.33Å; S306-C310 PolarHBondContact O-N 2.83Å
307	Q	93.9	Very high	92.6	Very high	67 Å²	67	23.3 Å²	23.3	31%	0.313	11%	0.113	S	C	.	.	H	α-helix	trans	-72.6	-44.2	176.8	-177.9	62.8	62.2	0	0	110.4	P219 N305 I309 C310 D311	P219-Q307 HydrophobicContact CG-CB 4.2Å; N305-Q307 VanDerWaalsContact C-N 3.26Å; N305-Q307 PolarHBondContact O-N 3.28Å; N305-Q307 WeakPolarHBondContact OD1-CA 3.22Å; N305-Q307 VanDerWaalsContact OD1-CB 3.32Å; N305-Q307 WeakPolarHBondContact OD1-CB 3.03Å; N305-Q307 PolarHBondContact OD1-N 3.05Å; Q307-I309 VanDerWaalsContact C-N 3.31Å; Q307-I309 PolarHBondContact O-N 3.38Å; Q307-C310 WeakPolarHBondContact O-CB 3.11Å; Q307-C310 PolarHBondContact O-N 2.69Å; Q307-C310 VanDerWaalsContact O-N 3.09Å; Q307-D311 PolarHBondContact NE2-OD1 2.94Å; Q307-D311 PolarHBondContact O-N 2.96Å
308	E	93.2	Very high	92.2	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.037	13%	0.128	C	C	.	.	H	α-helix	trans	-61.9	-39.1	176.4	-69.3	166.2	159.8	0	0	111.5	V304 N305 C310 D311 F312 R363	V304-E308 HydrophobicContact CG1-CB 3.49Å; V304-E308 VanDerWaalsContact CG1-CB 3.49Å; N305-E308 VanDerWaalsContact CG-OE2 3.32Å; N305-E308 PolarHBondContact N-OE2 2.9Å; N305-E308 WeakPolarHBondContact ND2-CG 3.26Å; N305-E308 PolarHBondContact ND2-OE1 3.48Å; N305-E308 PolarHBondContact ND2-OE2 3.38Å; N305-E308 PolarHBondContact O-N 2.69Å; N305-E308 VanDerWaalsContact O-N 3.13Å; N305-E308 PolarHBondContact OD1-N 3.4Å; E308-C310 VanDerWaalsContact C-N 3.34Å; E308-C310 PolarHBondContact O-N 3.23Å; E308-D311 PolarHBondContact O-N 3.2Å; E308-D311 VanDerWaalsContact O-N 3.16Å; E308-F312 HydrophobicContact CB-CE2 4.29Å; E308-F312 WeakPolarHBondContact O-CD2 3.47Å; E308-F312 WeakPolarHBondContact O-CG 3.22Å; E308-F312 PolarHBondContact O-N 3.37Å; E308-R363 IonicContact OE1-CZ 3.58Å; E308-R363 IonicContact OE1-NE 3.24Å; E308-R363 IonicContact OE1-NH2 2.68Å; E308-R363 PolarHBondContact OE1-NH2 2.99Å; E308-R363 IonicContact OE2-CZ 2.74Å; E308-R363 IonicContact OE2-NE 2.72Å; E308-R363 IonicContact OE2-NH2 3.62Å; E308-R363 PolarHBondContact OE2-NH2 3.27Å
309	I	95.4	Very high	92.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-56.7	-49.4	171.7	-65.9	170.2	0	0	0	110.1	I212 V294 T296 I300 V304 N305 Q307 D311 F312 V313 V326	I212-I309 HydrophobicContact CD1-CD1 3.94Å; V294-I309 HydrophobicContact CB-CG2 4.29Å; V294-I309 HydrophobicContact CG1-CG2 4.03Å; V294-I309 HydrophobicContact CG2-CG2 4.19Å; T296-I309 HydrophobicContact CG2-CD1 4.1Å; I300-I309 HydrophobicContact CG2-CD1 4.23Å; I300-I309 HydrophobicContact CG2-CG1 4.48Å; V304-I309 HydrophobicContact CB-CG1 4.28Å; V304-I309 HydrophobicContact CG1-CG1 3.73Å; N305-I309 WeakPolarHBondContact O-CG1 3.32Å; N305-I309 PolarHBondContact O-N 3.22Å; Q307-I309 VanDerWaalsContact C-N 3.31Å; Q307-I309 PolarHBondContact O-N 3.38Å; I309-D311 VanDerWaalsContact C-N 3.29Å; I309-D311 PolarHBondContact O-N 3.48Å; I309-F312 PolarHBondContact O-N 2.85Å; I309-V313 HydrophobicContact CG2-CG2 4.45Å; I309-V313 WeakPolarHBondContact O-CG2 3.26Å; I309-V313 PolarHBondContact O-N 3.39Å; I309-V313 VanDerWaalsContact O-N 3.09Å; I309-V326 HydrophobicContact CG1-CG1 4.32Å
310	C	94.8	Very high	92.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.7	-37.9	177	-73.8	0	0	0	0	112.4	F292 S306 Q307 E308 V313 N314	F292-C310 HydrophobicContact CZ-CB 4.35Å; S306-C310 PolarHBondContact O-N 2.83Å; Q307-C310 WeakPolarHBondContact O-CB 3.11Å; Q307-C310 PolarHBondContact O-N 2.69Å; Q307-C310 VanDerWaalsContact O-N 3.09Å; E308-C310 VanDerWaalsContact C-N 3.34Å; E308-C310 PolarHBondContact O-N 3.23Å; C310-V313 PolarHBondContact O-N 3.29Å; C310-N314 VanDerWaalsContact O-CB 3.31Å; C310-N314 WeakPolarHBondContact O-CB 3.02Å; C310-N314 VanDerWaalsContact O-CG 3.23Å; C310-N314 PolarHBondContact O-N 2.84Å; C310-N314 PolarHBondContact O-ND2 3.48Å
311	D	92.1	Very high	92.5	Very high	9 Å²	9	34.5 Å²	34.5	5%	0.048	17%	0.17	C	C	.	.	H	α-helix	trans	-66.6	-43.8	-179.5	-63.1	-22.7	0	0	0	111.6	Q307 E308 I309 N314 Q315 N354	Q307-D311 PolarHBondContact NE2-OD1 2.94Å; Q307-D311 PolarHBondContact O-N 2.96Å; E308-D311 PolarHBondContact O-N 3.2Å; E308-D311 VanDerWaalsContact O-N 3.16Å; I309-D311 VanDerWaalsContact C-N 3.29Å; I309-D311 PolarHBondContact O-N 3.48Å; D311-N314 PolarHBondContact O-N 2.77Å; D311-Q315 VanDerWaalsContact O-CG 3.24Å; D311-Q315 WeakPolarHBondContact O-CG 3.34Å; D311-Q315 PolarHBondContact O-N 2.78Å; D311-Q315 PolarHBondContact O-NE2 3.29Å; D311-Q315 VanDerWaalsContact O-NE2 3.09Å; D311-N354 PolarHBondContact OD1-ND2 2.92Å
312	F	92.2	Very high	92.7	Very high	26 Å²	26	34 Å²	34	11%	0.114	17%	0.167	C	C	.	.	H	α-helix	trans	-61.5	-48.3	175	-68.3	-47	0	0	0	111.4	V304 E308 I309 N314 Q315 C316 V326 Q329 Y333	V304-F312 HydrophobicContact CG1-CD2 4.1Å; V304-F312 HydrophobicContact CG1-CE2 3.74Å; V304-F312 HydrophobicContact CG2-CE2 4.5Å; E308-F312 HydrophobicContact CB-CE2 4.29Å; E308-F312 WeakPolarHBondContact O-CD2 3.47Å; E308-F312 WeakPolarHBondContact O-CG 3.22Å; E308-F312 PolarHBondContact O-N 3.37Å; I309-F312 PolarHBondContact O-N 2.85Å; F312-N314 VanDerWaalsContact C-N 3.34Å; F312-N314 PolarHBondContact O-N 3.35Å; F312-Q315 PolarHBondContact O-N 2.83Å; F312-Q315 VanDerWaalsContact O-N 3.15Å; F312-C316 PolarHBondContact O-N 3.44Å; F312-C316 PolarHBondContact O-SG 3.25Å; F312-C316 VanDerWaalsContact O-SG 3.37Å; F312-V326 HydrophobicContact CB-CG2 3.85Å; F312-V326 HydrophobicContact CD2-CG2 4.37Å; F312-Q329 HydrophobicContact CD1-CG 4.27Å; F312-Q329 HydrophobicContact CD2-CG 4.5Å; F312-Q329 HydrophobicContact CE1-CG 3.78Å; F312-Q329 HydrophobicContact CE2-CB 3.89Å; F312-Q329 HydrophobicContact CE2-CG 4.01Å; F312-Q329 HydrophobicContact CZ-CB 3.9Å; F312-Q329 HydrophobicContact CZ-CG 3.64Å; F312-Y333 HydrophobicContact CZ-CE2 4.41Å
313	V	93.9	Very high	93.3	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-64.2	-38.5	-178.5	179	0	0	0	0	111.8	F292 V294 I309 C310 Q315 C316 A322 V326 V343 W349	F292-V313 HydrophobicContact CD1-CG1 3.61Å; F292-V313 HydrophobicContact CD2-CG1 3.87Å; F292-V313 HydrophobicContact CE1-CB 3.92Å; F292-V313 HydrophobicContact CE1-CG1 3.36Å; F292-V313 HydrophobicContact CE2-CB 3.8Å; F292-V313 HydrophobicContact CE2-CG1 3.61Å; F292-V313 HydrophobicContact CE2-CG2 4.14Å; F292-V313 HydrophobicContact CG-CG1 3.86Å; F292-V313 HydrophobicContact CZ-CB 3.46Å; F292-V313 VanDerWaalsContact CZ-CB 3.46Å; F292-V313 HydrophobicContact CZ-CG1 3.35Å; F292-V313 HydrophobicContact CZ-CG2 4.29Å; V294-V313 HydrophobicContact CG2-CG2 4.17Å; I309-V313 HydrophobicContact CG2-CG2 4.45Å; I309-V313 WeakPolarHBondContact O-CG2 3.26Å; I309-V313 PolarHBondContact O-N 3.39Å; I309-V313 VanDerWaalsContact O-N 3.09Å; C310-V313 PolarHBondContact O-N 3.29Å; V313-Q315 VanDerWaalsContact C-N 3.25Å; V313-Q315 PolarHBondContact O-N 2.9Å; V313-C316 PolarHBondContact O-N 3.42Å; V313-A322 HydrophobicContact CB-CB 4.17Å; V313-A322 HydrophobicContact CG1-CB 3.93Å; V313-A322 HydrophobicContact CG2-CB 4.08Å; V313-V326 HydrophobicContact CG2-CG2 4.05Å; V313-V343 HydrophobicContact CG1-CG1 3.83Å; V313-V343 HydrophobicContact CG2-CG2 4.29Å; V313-W349 HydrophobicContact CG1-CH2 3.47Å; V313-W349 VanDerWaalsContact CG1-CH2 3.47Å; V313-W349 HydrophobicContact CG1-CZ3 3.51Å
314	N	91.4	Very high	93.6	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-68.3	-21.2	178.1	-78.5	-39	0	0	0	113.8	F292 C310 D311 F312 Y352	F292-N314 WeakPolarHBondContact CE1-OD1 3.42Å; C310-N314 VanDerWaalsContact O-CB 3.31Å; C310-N314 WeakPolarHBondContact O-CB 3.02Å; C310-N314 VanDerWaalsContact O-CG 3.23Å; C310-N314 PolarHBondContact O-N 2.84Å; C310-N314 PolarHBondContact O-ND2 3.48Å; D311-N314 PolarHBondContact O-N 2.77Å; F312-N314 VanDerWaalsContact C-N 3.34Å; F312-N314 PolarHBondContact O-N 3.35Å; N314-Y352 WeakPolarHBondContact CB-O 3.41Å; N314-Y352 VanDerWaalsContact CG-O 3.28Å; N314-Y352 PolarHBondContact OD1-O 3.12Å
315	Q	88.6	Confident	93.9	Very high	97 Å²	97	36.9 Å²	36.9	45%	0.453	19%	0.186	S	C	.	.	H	α-helix	trans	-86.2	-29.7	-179.8	-72.5	169.5	47.1	0	0	112.8	D311 F312 V313	D311-Q315 VanDerWaalsContact O-CG 3.24Å; D311-Q315 WeakPolarHBondContact O-CG 3.34Å; D311-Q315 PolarHBondContact O-N 2.78Å; D311-Q315 PolarHBondContact O-NE2 3.29Å; D311-Q315 VanDerWaalsContact O-NE2 3.09Å; F312-Q315 PolarHBondContact O-N 2.83Å; F312-Q315 VanDerWaalsContact O-N 3.15Å; V313-Q315 VanDerWaalsContact C-N 3.25Å; V313-Q315 PolarHBondContact O-N 2.9Å
316	C	91	Very high	94	Very high	9 Å²	9	33.9 Å²	33.9	6%	0.061	17%	0.17	C	C	.	.	S	Bend	trans	-71.5	159	-178	-66.8	0	0	0	0	113	R70 F312 V313 E321 A322	R70-C316 PolarHBondContact NH1-O 2.75Å; F312-C316 PolarHBondContact O-N 3.44Å; F312-C316 PolarHBondContact O-SG 3.25Å; F312-C316 VanDerWaalsContact O-SG 3.37Å; V313-C316 PolarHBondContact O-N 3.42Å; C316-E321 HydrophobicContact CB-CB 4.23Å; C316-E321 HydrophobicContact CB-CG 4.11Å; C316-A322 HydrophobicContact CB-CB 3.81Å
317	H	88.9	Confident	94.1	Very high	122 Å²	122	33.5 Å²	33.5	57%	0.565	17%	0.167	S	C	*	.	S	Bend	trans	-72.8	-51.3	179.1	-179.2	-99.1	0	0	0	111.6	R70 E321 W349	R70-H317 PolarHBondContact NH1-O 2.72Å; H317-E321 VanDerWaalsContact CB-OE2 3.27Å; H317-E321 WeakPolarHBondContact CB-OE2 3.47Å; H317-E321 PolarHBondContact N-OE2 3.36Å; H317-W349 PolarHBondContact O-NE1 3.23Å
318	D	91.5	Very high	94.2	Very high	61 Å²	61	33.9 Å²	33.9	33%	0.326	17%	0.169	S	C	.	.	S	Bend	trans	-128.9	162.8	-176.2	60.9	57.6	0	0	0	112	N320 E321 A322	D318-N320 PolarHBondContact O-N 3.36Å; D318-N320 WeakPolarHBondContact OD1-CB 3.43Å; D318-N320 PolarHBondContact OD1-N 2.76Å; D318-N320 VanDerWaalsContact OD1-N 3.11Å; D318-E321 PolarHBondContact O-N 3.5Å; D318-E321 WeakPolarHBondContact OD1-CB 3.23Å; D318-E321 PolarHBondContact OD1-N 3.22Å; D318-A322 WeakPolarHBondContact O-CB 3.48Å; D318-A322 PolarHBondContact O-N 2.88Å
319	P	95.6	Very high	94.3	Very high	8 Å²	8	35.6 Å²	35.6	5%	0.052	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-28	-179.4	-28.8	39.6	0	0	0	114	N94 G96 A322 A323 V343 P345 W349	N94-P319 VanDerWaalsContact O-CB 3.27Å; N94-P319 WeakPolarHBondContact O-CB 3.33Å; N94-P319 WeakPolarHBondContact O-CG 3.25Å; G96-P319 WeakPolarHBondContact CA-O 3.41Å; P319-A322 WeakPolarHBondContact O-CB 3.5Å; P319-A322 PolarHBondContact O-N 3.28Å; P319-A323 PolarHBondContact O-N 2.86Å; P319-V343 HydrophobicContact CB-CB 4.08Å; P319-V343 HydrophobicContact CB-CG1 3.87Å; P319-P345 HydrophobicContact CG-CB 3.85Å; P319-P345 HydrophobicContact CG-CG 3.84Å; P319-W349 HydrophobicContact CB-CH2 4.02Å; P319-W349 HydrophobicContact CB-CZ2 4.36Å; P319-W349 HydrophobicContact CB-CZ3 4.44Å; P319-W349 HydrophobicContact CG-CD2 4.26Å; P319-W349 HydrophobicContact CG-CE3 4.27Å; P319-W349 HydrophobicContact CG-CH2 3.65Å; P319-W349 HydrophobicContact CG-CZ2 3.64Å; P319-W349 HydrophobicContact CG-CZ3 3.96Å
320	N	96.1	Very high	94.2	Very high	80 Å²	80	35.6 Å²	35.6	43%	0.428	18%	0.177	S	C	.	.	H	α-helix	trans	-72.3	-47.4	-178.4	-171.6	30.9	0	0	0	111.3	D318 A322 A323 H324	D318-N320 PolarHBondContact O-N 3.36Å; D318-N320 WeakPolarHBondContact OD1-CB 3.43Å; D318-N320 PolarHBondContact OD1-N 2.76Å; D318-N320 VanDerWaalsContact OD1-N 3.11Å; N320-A322 VanDerWaalsContact C-N 3.25Å; N320-A322 PolarHBondContact O-N 2.78Å; N320-A323 PolarHBondContact O-N 3.3Å; N320-H324 PolarHBondContact O-N 2.57Å; N320-H324 VanDerWaalsContact O-N 3.11Å; N320-H324 PolarHBondContact O-ND1 3.46Å; N320-H324 PolarHBondContact OD1-CE1 3.11Å; N320-H324 PolarHBondContact OD1-ND1 2.84Å
321	E	96.2	Very high	94.1	Very high	93 Å²	93	38 Å²	38	44%	0.435	19%	0.189	S	C	.	.	H	α-helix	trans	-56	-43.9	169.3	-174.3	-167	172	0	0	110.3	C316 H317 D318 A323 H324 A325	C316-E321 HydrophobicContact CB-CB 4.23Å; C316-E321 HydrophobicContact CB-CG 4.11Å; H317-E321 VanDerWaalsContact CB-OE2 3.27Å; H317-E321 WeakPolarHBondContact CB-OE2 3.47Å; H317-E321 PolarHBondContact N-OE2 3.36Å; D318-E321 PolarHBondContact O-N 3.5Å; D318-E321 WeakPolarHBondContact OD1-CB 3.23Å; D318-E321 PolarHBondContact OD1-N 3.22Å; E321-A323 PolarHBondContact O-N 2.93Å; E321-H324 PolarHBondContact O-N 2.9Å; E321-A325 VanDerWaalsContact O-CB 3.3Å; E321-A325 WeakPolarHBondContact O-CB 3.44Å; E321-A325 PolarHBondContact O-N 2.98Å
322	A	96.1	Very high	94.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-45.4	178.1	0	0	0	0	0	112.8	V313 C316 D318 P319 N320 A325 V326 V343 W349	V313-A322 HydrophobicContact CB-CB 4.17Å; V313-A322 HydrophobicContact CG1-CB 3.93Å; V313-A322 HydrophobicContact CG2-CB 4.08Å; C316-A322 HydrophobicContact CB-CB 3.81Å; D318-A322 WeakPolarHBondContact O-CB 3.48Å; D318-A322 PolarHBondContact O-N 2.88Å; P319-A322 WeakPolarHBondContact O-CB 3.5Å; P319-A322 PolarHBondContact O-N 3.28Å; N320-A322 VanDerWaalsContact C-N 3.25Å; N320-A322 PolarHBondContact O-N 2.78Å; A322-A325 PolarHBondContact O-N 3.02Å; A322-V326 VanDerWaalsContact O-CG2 3.29Å; A322-V326 WeakPolarHBondContact O-CG2 3.41Å; A322-V326 PolarHBondContact O-N 2.9Å; A322-V343 HydrophobicContact CB-CG2 4.38Å; A322-W349 HydrophobicContact CB-CH2 4.3Å
323	A	97.9	Very high	94.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-43.1	177.9	0	0	0	0	0	111.8	A98 P319 N320 E321 T327 A341 V343	A98-A323 HydrophobicContact CB-CB 4.02Å; P319-A323 PolarHBondContact O-N 2.86Å; N320-A323 PolarHBondContact O-N 3.3Å; E321-A323 PolarHBondContact O-N 2.93Å; A323-T327 WeakPolarHBondContact O-CG2 3.28Å; A323-T327 PolarHBondContact O-N 2.84Å; A323-T327 VanDerWaalsContact O-N 3.16Å; A323-T327 PolarHBondContact O-OG1 2.9Å; A323-T327 VanDerWaalsContact O-OG1 3.11Å; A323-A341 HydrophobicContact CB-CB 4.45Å; A323-V343 HydrophobicContact CB-CG2 4.01Å
324	H	97.8	Very high	94.2	Very high	92 Å²	92	46.3 Å²	46.3	43%	0.426	24%	0.235	S	C	.	.	H	α-helix	trans	-65.3	-42.9	175.9	-73.4	80.3	0	0	0	111.8	C97 N320 E321 V326 T327 E328	C97-H324 PolarHBondContact O-CE1 3.49Å; N320-H324 PolarHBondContact O-N 2.57Å; N320-H324 VanDerWaalsContact O-N 3.11Å; N320-H324 PolarHBondContact O-ND1 3.46Å; N320-H324 PolarHBondContact OD1-CE1 3.11Å; N320-H324 PolarHBondContact OD1-ND1 2.84Å; E321-H324 PolarHBondContact O-N 2.9Å; H324-V326 PolarHBondContact O-N 2.88Å; H324-T327 PolarHBondContact O-N 3.43Å; H324-T327 PolarHBondContact O-OG1 3.25Å; H324-E328 WeakPolarHBondContact O-CB 3.48Å; H324-E328 PolarHBondContact O-N 3.07Å
325	A	96.1	Very high	94.2	Very high	27 Å²	27	46.3 Å²	46.3	22%	0.223	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-45.5	178.1	0	0	0	0	0	111.5	E321 A322 E328 Q329	E321-A325 VanDerWaalsContact O-CB 3.3Å; E321-A325 WeakPolarHBondContact O-CB 3.44Å; E321-A325 PolarHBondContact O-N 2.98Å; A322-A325 PolarHBondContact O-N 3.02Å; A325-E328 PolarHBondContact O-N 3.18Å; A325-Q329 WeakPolarHBondContact O-CB 3.43Å; A325-Q329 WeakPolarHBondContact O-CG 3.24Å; A325-Q329 PolarHBondContact O-N 3.13Å
326	V	96.5	Very high	94.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-44.7	179.8	174.4	0	0	0	0	111.6	I300 I309 F312 V313 A322 H324 A330 A341	I300-V326 HydrophobicContact CD1-CG1 4.16Å; I300-V326 HydrophobicContact CG2-CG1 3.73Å; I309-V326 HydrophobicContact CG1-CG1 4.32Å; F312-V326 HydrophobicContact CB-CG2 3.85Å; F312-V326 HydrophobicContact CD2-CG2 4.37Å; V313-V326 HydrophobicContact CG2-CG2 4.05Å; A322-V326 VanDerWaalsContact O-CG2 3.29Å; A322-V326 WeakPolarHBondContact O-CG2 3.41Å; A322-V326 PolarHBondContact O-N 2.9Å; H324-V326 PolarHBondContact O-N 2.88Å; V326-A330 PolarHBondContact O-N 2.95Å; V326-A341 HydrophobicContact CG1-CB 4.5Å
327	T	97.3	Very high	94.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.8	-43.2	178.7	53.5	0	0	0	0	112	A98 Q100 I300 A323 H324 Q329 A330 I331 S339 A341	A98-T327 HydrophobicContact CB-CG2 3.92Å; Q100-T327 PolarHBondContact NE2-OG1 3.27Å; Q100-T327 VanDerWaalsContact NE2-OG1 3.13Å; I300-T327 HydrophobicContact CD1-CG2 3.89Å; A323-T327 WeakPolarHBondContact O-CG2 3.28Å; A323-T327 PolarHBondContact O-N 2.84Å; A323-T327 VanDerWaalsContact O-N 3.16Å; A323-T327 PolarHBondContact O-OG1 2.9Å; A323-T327 VanDerWaalsContact O-OG1 3.11Å; H324-T327 PolarHBondContact O-N 3.43Å; H324-T327 PolarHBondContact O-OG1 3.25Å; T327-Q329 PolarHBondContact O-N 3.3Å; T327-A330 WeakPolarHBondContact O-CB 3.48Å; T327-A330 PolarHBondContact O-N 2.86Å; T327-I331 PolarHBondContact O-N 3.29Å; T327-S339 WeakPolarHBondContact CG2-O 3.37Å; T327-A341 HydrophobicContact CG2-CB 3.94Å
328	E	95.5	Very high	95	Very high	75 Å²	75	39.8 Å²	39.8	35%	0.35	21%	0.205	S	C	.	.	H	α-helix	trans	-63	-42.6	177.7	179.8	60	-153.7	0	0	111.7	H324 A325 A330 I331 Q332	H324-E328 WeakPolarHBondContact O-CB 3.48Å; H324-E328 PolarHBondContact O-N 3.07Å; A325-E328 PolarHBondContact O-N 3.18Å; E328-A330 VanDerWaalsContact C-N 3.3Å; E328-A330 PolarHBondContact O-N 3.2Å; E328-I331 PolarHBondContact O-N 2.91Å; E328-I331 VanDerWaalsContact O-N 3.17Å; E328-Q332 HydrophobicContact CG-CG 4.46Å; E328-Q332 WeakPolarHBondContact O-CG 3.49Å; E328-Q332 PolarHBondContact O-N 3.06Å; E328-Q332 PolarHBondContact OE1-NE2 3.29Å
329	Q	94.4	Very high	95.3	Very high	44 Å²	44	36.9 Å²	36.9	21%	0.206	19%	0.189	C	C	.	.	H	α-helix	trans	-62.3	-36.9	176.8	-72.8	-59.5	-58.4	0	0	112.2	F312 A325 T327 I331 Q332 Y333	F312-Q329 HydrophobicContact CD1-CG 4.27Å; F312-Q329 HydrophobicContact CD2-CG 4.5Å; F312-Q329 HydrophobicContact CE1-CG 3.78Å; F312-Q329 HydrophobicContact CE2-CB 3.89Å; F312-Q329 HydrophobicContact CE2-CG 4.01Å; F312-Q329 HydrophobicContact CZ-CB 3.9Å; F312-Q329 HydrophobicContact CZ-CG 3.64Å; A325-Q329 WeakPolarHBondContact O-CB 3.43Å; A325-Q329 WeakPolarHBondContact O-CG 3.24Å; A325-Q329 PolarHBondContact O-N 3.13Å; T327-Q329 PolarHBondContact O-N 3.3Å; Q329-I331 VanDerWaalsContact C-N 3.33Å; Q329-I331 PolarHBondContact O-N 3.1Å; Q329-Q332 PolarHBondContact O-N 3.38Å; Q329-Y333 HydrophobicContact CB-CE2 4.43Å; Q329-Y333 WeakPolarHBondContact O-CB 3.4Å; Q329-Y333 WeakPolarHBondContact O-CD2 3.13Å; Q329-Y333 VanDerWaalsContact O-CG 3.25Å; Q329-Y333 PolarHBondContact O-N 2.92Å
330	A	94.5	Very high	95.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.2	-41.1	174.8	0	0	0	0	0	112	I300 V304 V326 T327 E328 Y333 G334 T335	I300-A330 HydrophobicContact CB-CB 4.44Å; I300-A330 HydrophobicContact CG1-CB 4.19Å; V304-A330 HydrophobicContact CG2-CB 4.22Å; V326-A330 PolarHBondContact O-N 2.95Å; T327-A330 WeakPolarHBondContact O-CB 3.48Å; T327-A330 PolarHBondContact O-N 2.86Å; E328-A330 VanDerWaalsContact C-N 3.3Å; E328-A330 PolarHBondContact O-N 3.2Å; A330-Y333 PolarHBondContact O-N 3.5Å; A330-G334 PolarHBondContact O-N 3.27Å; A330-T335 HydrophobicContact CB-CG2 3.97Å; A330-T335 WeakPolarHBondContact O-CB 3.5Å; A330-T335 WeakPolarHBondContact O-CG2 3.38Å; A330-T335 PolarHBondContact O-N 3.03Å
331	I	93.4	Very high	95.6	Very high	50 Å²	50	32.7 Å²	32.7	26%	0.256	17%	0.166	S	C	.	.	H	α-helix	trans	-67.5	-42.5	176.2	-66.3	171.5	0	0	0	111.4	Q100 T327 E328 Q329 Y333 G334 T335	Q100-I331 HydrophobicContact CB-CD1 3.62Å; Q100-I331 HydrophobicContact CG-CD1 4.06Å; T327-I331 PolarHBondContact O-N 3.29Å; E328-I331 PolarHBondContact O-N 2.91Å; E328-I331 VanDerWaalsContact O-N 3.17Å; Q329-I331 VanDerWaalsContact C-N 3.33Å; Q329-I331 PolarHBondContact O-N 3.1Å; I331-Y333 VanDerWaalsContact C-N 3.25Å; I331-Y333 PolarHBondContact O-N 2.89Å; I331-G334 WeakPolarHBondContact O-CA 3.32Å; I331-G334 PolarHBondContact O-N 2.83Å; I331-T335 HydrophobicContact CG1-CG2 4.01Å
332	Q	94	Very high	95.7	Very high	115 Å²	115	28.2 Å²	28.2	54%	0.537	15%	0.146	S	C	.	.	H	α-helix	trans	-63.5	-32.2	176.3	-71	-177.6	3	0	0	112.5	E328 Q329 G334	E328-Q332 HydrophobicContact CG-CG 4.46Å; E328-Q332 WeakPolarHBondContact O-CG 3.49Å; E328-Q332 PolarHBondContact O-N 3.06Å; E328-Q332 PolarHBondContact OE1-NE2 3.29Å; Q329-Q332 PolarHBondContact O-N 3.38Å; Q332-G334 PolarHBondContact O-N 3.43Å
333	Y	92.5	Very high	95.8	Very high	60 Å²	60	28.2 Å²	28.2	24%	0.235	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-3	171.2	-65.4	-32.4	0	0	0	114.3	M303 V304 F312 Q329 A330 I331	M303-Y333 HydrophobicContact CB-CD2 4.29Å; V304-Y333 HydrophobicContact CG2-CD2 3.97Å; V304-Y333 HydrophobicContact CG2-CE2 4.15Å; F312-Y333 HydrophobicContact CZ-CE2 4.41Å; Q329-Y333 HydrophobicContact CB-CE2 4.43Å; Q329-Y333 WeakPolarHBondContact O-CB 3.4Å; Q329-Y333 WeakPolarHBondContact O-CD2 3.13Å; Q329-Y333 VanDerWaalsContact O-CG 3.25Å; Q329-Y333 PolarHBondContact O-N 2.92Å; A330-Y333 PolarHBondContact O-N 3.5Å; I331-Y333 VanDerWaalsContact C-N 3.25Å; I331-Y333 PolarHBondContact O-N 2.89Å
334	G	92	Very high	95.8	Very high	35 Å²	35	28.2 Å²	28.2	36%	0.361	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	25.1	172.9	0	0	0	0	0	114.1	A330 I331 Q332	A330-G334 PolarHBondContact O-N 3.27Å; I331-G334 WeakPolarHBondContact O-CA 3.32Å; I331-G334 PolarHBondContact O-N 2.83Å; Q332-G334 PolarHBondContact O-N 3.43Å
335	T	92.9	Very high	95.7	Very high	4 Å²	4	24.1 Å²	24.1	3%	0.025	13%	0.127	C	C	.	.			trans	-62.7	139.8	166.9	-155.1	0	0	0	0	110.1	G299 A330 I331 S339	G299-T335 VanDerWaalsContact O-CB 3.31Å; G299-T335 WeakPolarHBondContact O-CB 3.48Å; G299-T335 PolarHBondContact O-OG1 2.81Å; A330-T335 HydrophobicContact CB-CG2 3.97Å; A330-T335 WeakPolarHBondContact O-CB 3.5Å; A330-T335 WeakPolarHBondContact O-CG2 3.38Å; A330-T335 PolarHBondContact O-N 3.03Å; I331-T335 HydrophobicContact CG1-CG2 4.01Å; T335-S339 VanDerWaalsContact CG2-OG 3.29Å; T335-S339 WeakPolarHBondContact CG2-OG 3.47Å
336	E	92.6	Very high	95.6	Very high	73 Å²	73	23 Å²	23	34%	0.341	12%	0.117	S	C	.	.			trans	-106.5	-13.6	178.5	-54.7	-158	140.7	0	0	111.8	K103	K103-E336 HydrophobicContact CB-CB 4.25Å; K103-E336 HydrophobicContact CD-CB 4.38Å; K103-E336 HydrophobicContact CD-CG 4.06Å; K103-E336 PolarHBondContact N-O 3.46Å; K103-E336 IonicContact NZ-OE1 3.43Å; K103-E336 PolarHBondContact NZ-OE1 2.88Å
337	D	94.9	Very high	95.1	Very high	15 Å²	15	23 Å²	23	8%	0.08	12%	0.118	C	C	.	.	S	Bend	trans	-84	169.8	-175.3	-136.2	-24.2	0	0	0	113.7	R104 S339	R104-D337 IonicContact CZ-OD1 2.68Å; R104-D337 IonicContact CZ-OD2 3.31Å; R104-D337 IonicContact NE-OD1 3.64Å; R104-D337 PolarHBondContact NE-OD1 2.8Å; R104-D337 IonicContact NE-OD2 2.9Å; R104-D337 IonicContact NH2-OD1 3.07Å; R104-D337 PolarHBondContact NH2-OD1 2.84Å; R104-D337 IonicContact NH2-OD2 3.74Å; R104-D337 PolarHBondContact NH2-OD2 2.9Å; D337-S339 PolarHBondContact O-OG 2.9Å
338	N	97.5	Very high	94.6	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.016	12%	0.119	C	C	.	.			trans	-58.1	137.6	165.1	-56.8	152	0	0	0	109.6	Q100 I101 R104 E106 N107 E108 D109 G299	Q100-N338 WeakPolarHBondContact O-CA 3.42Å; I101-N338 PolarHBondContact O-ND2 2.76Å; R104-N338 WeakPolarHBondContact CB-ND2 3.28Å; R104-N338 WeakPolarHBondContact CG-ND2 3.39Å; E106-N338 PolarHBondContact O-ND2 3.43Å; E106-N338 VanDerWaalsContact O-ND2 3.11Å; E106-N338 PolarHBondContact O-OD1 3.45Å; N107-N338 WeakPolarHBondContact OD1-CB 3.33Å; N107-N338 VanDerWaalsContact OD1-CG 3.32Å; E108-N338 PolarHBondContact N-OD1 3.07Å; D109-N338 HydrophobicContact CB-CB 4.31Å; D109-N338 WeakPolarHBondContact OD2-CB 3.28Å; G299-N338 WeakPolarHBondContact CA-O 3.38Å
339	S	98.1	Very high	94.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	107.3	-173.5	-67.5	0	0	0	0	109.6	S99 Q100 T327 T335 D337	S99-S339 WeakPolarHBondContact CA-O 3.27Å; Q100-S339 PolarHBondContact N-O 3.04Å; Q100-S339 PolarHBondContact O-N 3.18Å; T327-S339 WeakPolarHBondContact CG2-O 3.37Å; T335-S339 VanDerWaalsContact CG2-OG 3.29Å; T335-S339 WeakPolarHBondContact CG2-OG 3.47Å; D337-S339 PolarHBondContact O-OG 2.9Å
340	T	98.6	Very high	93.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.3	-176	-61.5	0	0	0	0	111.5	A98 S99 D109 F111 V125 T296 T297 I300	A98-T340 CarbonylContact O-C 3.5Å; A98-T340 VanDerWaalsContact O-CA 3.3Å; A98-T340 WeakPolarHBondContact O-CA 3.01Å; S99-T340 VanDerWaalsContact CB-OG1 3.29Å; S99-T340 WeakPolarHBondContact CB-OG1 3.47Å; S99-T340 PolarHBondContact OG-OG1 3.07Å; D109-T340 WeakPolarHBondContact CB-OG1 3.24Å; D109-T340 VanDerWaalsContact CG-OG1 3.26Å; D109-T340 WeakPolarHBondContact OD2-CB 3.38Å; D109-T340 PolarHBondContact OD2-N 3.07Å; D109-T340 PolarHBondContact OD2-OG1 3Å; F111-T340 HydrophobicContact CB-CG2 4.03Å; F111-T340 HydrophobicContact CD1-CG2 3.62Å; F111-T340 HydrophobicContact CE1-CG2 4.47Å; F111-T340 HydrophobicContact CG-CG2 4.1Å; V125-T340 HydrophobicContact CG1-CG2 4.46Å; T296-T340 WeakPolarHBondContact CA-O 3.5Å; T297-T340 PolarHBondContact N-O 2.89Å; T297-T340 VanDerWaalsContact N-O 3.09Å; T297-T340 PolarHBondContact OG1-N 2.78Å; I300-T340 VanDerWaalsContact CD1-C 3.48Å; I300-T340 WeakPolarHBondContact CD1-O 3.48Å
341	A	98.7	Very high	93.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.4	175.2	0	0	0	0	0	111.1	C97 A98 L295 T296 I300 A323 V326 T327	C97-A341 VanDerWaalsContact CA-O 3.31Å; C97-A341 WeakPolarHBondContact CA-O 3.36Å; A98-A341 PolarHBondContact N-O 3.36Å; A98-A341 PolarHBondContact O-N 2.79Å; L295-A341 CarbonylContact O-C 3.51Å; L295-A341 VanDerWaalsContact O-CA 3.3Å; L295-A341 WeakPolarHBondContact O-CA 3.32Å; T296-A341 HydrophobicContact CG2-CB 4.27Å; I300-A341 HydrophobicContact CD1-CB 3.77Å; A323-A341 HydrophobicContact CB-CB 4.45Å; V326-A341 HydrophobicContact CG1-CB 4.5Å; T327-A341 HydrophobicContact CG2-CB 3.94Å
342	V	98.8	Very high	92.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.1	168.7	-178.2	0	0	0	0	108.5	V95 G96 C97 F111 F113 V125 V294 L295 V344	V95-V342 HydrophobicContact CG1-CG1 3.78Å; G96-V342 CarbonylContact O-C 3.56Å; G96-V342 WeakPolarHBondContact O-CA 3.35Å; C97-V342 HydrophobicContact CB-CG2 4.29Å; F111-V342 HydrophobicContact CB-CG2 3.76Å; F111-V342 HydrophobicContact CD2-CG2 3.95Å; F111-V342 HydrophobicContact CG-CG2 4Å; F113-V342 HydrophobicContact CD1-CG1 4.44Å; V125-V342 HydrophobicContact CG1-CG2 3.85Å; V294-V342 CarbonylContact C-O 3.57Å; V294-V342 VanDerWaalsContact CA-O 3.24Å; V294-V342 WeakPolarHBondContact CA-O 3.45Å; L295-V342 HydrophobicContact CB-CB 4.27Å; L295-V342 PolarHBondContact N-O 3.39Å; L295-V342 PolarHBondContact O-N 3.34Å; V342-V344 HydrophobicContact CG1-CG2 4.26Å
343	V	98.5	Very high	91.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	114.1	-178.3	-176	0	0	0	0	109	G96 F292 V294 V313 P319 A322 A323 W349	G96-V343 PolarHBondContact N-O 2.78Å; G96-V343 PolarHBondContact O-N 2.87Å; F292-V343 HydrophobicContact CB-CG1 4.38Å; V294-V343 HydrophobicContact CG1-CG2 4.15Å; V294-V343 HydrophobicContact CG2-CG1 4.49Å; V294-V343 HydrophobicContact CG2-CG2 4.33Å; V313-V343 HydrophobicContact CG1-CG1 3.83Å; V313-V343 HydrophobicContact CG2-CG2 4.29Å; P319-V343 HydrophobicContact CB-CB 4.08Å; P319-V343 HydrophobicContact CB-CG1 3.87Å; A322-V343 HydrophobicContact CB-CG2 4.38Å; A323-V343 HydrophobicContact CB-CG2 4.01Å; V343-W349 HydrophobicContact CG1-CH2 4.02Å; V343-W349 HydrophobicContact CG1-CZ3 3.79Å
344	V	97.9	Very high	90.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	113.9	-179.5	-176.6	0	0	0	0	108.7	I90 V95 F123 F292 L293 V342 F346	I90-V344 HydrophobicContact CG2-CG1 4.18Å; V95-V344 HydrophobicContact CG1-CG2 4.24Å; V95-V344 HydrophobicContact CG2-CG1 4.34Å; V95-V344 HydrophobicContact CG2-CG2 4.39Å; F123-V344 HydrophobicContact CD1-CG1 4.35Å; F123-V344 HydrophobicContact CD1-CG2 3.4Å; F123-V344 HydrophobicContact CD2-CG2 4.42Å; F123-V344 HydrophobicContact CE1-CB 4.33Å; F123-V344 HydrophobicContact CE1-CG1 3.72Å; F123-V344 HydrophobicContact CE1-CG2 3.61Å; F123-V344 HydrophobicContact CE2-CG1 4.22Å; F123-V344 HydrophobicContact CG-CG2 3.86Å; F123-V344 HydrophobicContact CZ-CG1 3.64Å; F123-V344 HydrophobicContact CZ-CG2 4.21Å; F292-V344 CarbonylContact C-O 3.6Å; F292-V344 WeakPolarHBondContact CA-O 3.17Å; F292-V344 WeakPolarHBondContact CB-O 3.39Å; L293-V344 HydrophobicContact CB-CB 4.22Å; L293-V344 PolarHBondContact N-O 2.67Å; L293-V344 PolarHBondContact O-N 2.66Å; V342-V344 HydrophobicContact CG1-CG2 4.26Å; V344-F346 HydrophobicContact CG1-CE1 3.9Å; V344-F346 HydrophobicContact CG1-CZ 4.37Å
345	P	95.6	Very high	88.1	Confident	5 Å²	5	27.9 Å²	27.9	3%	0.032	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	146.6	-179.6	31.8	-36.1	0	0	0	112.3	I71 N94 P319 W349	I71-P345 HydrophobicContact CD1-CB 3.36Å; I71-P345 HydrophobicContact CD1-CG 3.85Å; N94-P345 HydrophobicContact CB-CG 3.84Å; P319-P345 HydrophobicContact CG-CB 3.85Å; P319-P345 HydrophobicContact CG-CG 3.84Å; P345-W349 HydrophobicContact CB-CB 4.26Å; P345-W349 HydrophobicContact CB-CD2 4.02Å; P345-W349 HydrophobicContact CB-CE3 3.83Å; P345-W349 HydrophobicContact CB-CG 4.2Å
346	F	93	Very high	86.1	Confident	3 Å²	3	34.8 Å²	34.8	1%	0.013	18%	0.178	C	C	.	.			trans	-123.7	-179	172.1	-62.9	-38.6	0	0	0	111.2	I90 L195 L213 L285 D290 S291 L293 V344 A348 W349	I90-F346 HydrophobicContact CD1-CD1 3.93Å; I90-F346 HydrophobicContact CG1-CD1 4.21Å; L195-F346 HydrophobicContact CD2-CE1 3.93Å; L213-F346 HydrophobicContact CD1-CD2 3.82Å; L213-F346 HydrophobicContact CD1-CE2 3.57Å; L285-F346 HydrophobicContact CD1-CD1 3.96Å; L285-F346 HydrophobicContact CD1-CD2 4.15Å; L285-F346 HydrophobicContact CD1-CE1 3.81Å; L285-F346 HydrophobicContact CD1-CE2 3.98Å; L285-F346 HydrophobicContact CD1-CG 4.15Å; L285-F346 HydrophobicContact CD1-CZ 3.82Å; L285-F346 HydrophobicContact CD2-CD2 4.18Å; L285-F346 HydrophobicContact CD2-CE2 3.86Å; L285-F346 HydrophobicContact CD2-CZ 4.36Å; D290-F346 HydrophobicContact CB-CD2 4.38Å; D290-F346 WeakPolarHBondContact O-CB 3.43Å; S291-F346 PolarHBondContact O-N 3.29Å; L293-F346 HydrophobicContact CB-CE2 3.59Å; L293-F346 HydrophobicContact CB-CZ 3.67Å; V344-F346 HydrophobicContact CG1-CE1 3.9Å; V344-F346 HydrophobicContact CG1-CZ 4.37Å; F346-A348 PolarHBondContact O-N 3Å; F346-A348 VanDerWaalsContact O-N 3.07Å; F346-W349 WeakPolarHBondContact O-CB 3.44Å; F346-W349 PolarHBondContact O-N 3.33Å
347	G	86.4	Confident	84.2	Confident	2 Å²	2	35.1 Å²	35.1	2%	0.021	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-34.5	-173.1	0	0	0	0	0	115	N69 H287 W349	N69-G347 VanDerWaalsContact CB-O 3.28Å; N69-G347 WeakPolarHBondContact CB-O 3.44Å; N69-G347 VanDerWaalsContact CG-O 3.31Å; N69-G347 PolarHBondContact ND2-O 3.11Å; H287-G347 PolarHBondContact ND1-N 2.69Å; H287-G347 CarbonylContact O-C 3.6Å; H287-G347 WeakPolarHBondContact O-CA 3.12Å; G347-W349 VanDerWaalsContact C-N 3.27Å; G347-W349 PolarHBondContact O-N 3.04Å
348	A	87.8	Confident	82.1	Confident	2 Å²	2	40.8 Å²	40.8	2%	0.017	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	21	-179.5	0	0	0	0	0	113.6	H287 D290 S291 F346 G350 K351 Y352	H287-A348 PolarHBondContact O-N 3.35Å; D290-A348 VanDerWaalsContact O-CB 3.26Å; D290-A348 WeakPolarHBondContact O-CB 3.48Å; D290-A348 PolarHBondContact O-N 2.85Å; S291-A348 WeakPolarHBondContact CB-O 3.41Å; S291-A348 PolarHBondContact OG-O 3.41Å; F346-A348 PolarHBondContact O-N 3Å; F346-A348 VanDerWaalsContact O-N 3.07Å; A348-G350 PolarHBondContact O-N 3.15Å; A348-K351 HydrophobicContact CB-CB 4.43Å; A348-K351 HydrophobicContact CB-CD 4.32Å; A348-K351 WeakPolarHBondContact O-CB 3.34Å; A348-K351 PolarHBondContact O-N 2.65Å; A348-Y352 HydrophobicContact CB-CE2 3.96Å
349	W	88.5	Confident	80.1	Confident	6 Å²	6	45.6 Å²	45.6	2%	0.023	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	128	179.4	179.9	-93.9	0	0	0	111.8	N69 R70 I71 F292 V313 H317 P319 A322 V343 P345 F346 G347 K351	N69-W349 WeakPolarHBondContact CB-O 3.35Å; R70-W349 PolarHBondContact N-O 2.81Å; I71-W349 HydrophobicContact CD1-CB 3.6Å; I71-W349 HydrophobicContact CD1-CD2 4.48Å; I71-W349 HydrophobicContact CD1-CG 3.65Å; I71-W349 HydrophobicContact CG1-CB 4.28Å; I71-W349 HydrophobicContact CG1-CG 4.29Å; F292-W349 HydrophobicContact CB-CE3 3.85Å; F292-W349 HydrophobicContact CB-CZ3 3.76Å; F292-W349 AromaticContact CD1-CE3 3.71Å; F292-W349 HydrophobicContact CD1-CE3 3.71Å; F292-W349 AromaticContact CD1-CZ3 3.53Å; F292-W349 HydrophobicContact CD1-CZ3 3.53Å; F292-W349 HydrophobicContact CE1-CZ3 4.36Å; F292-W349 HydrophobicContact CG-CE3 4.17Å; F292-W349 AromaticContact CG-CZ3 3.84Å; F292-W349 HydrophobicContact CG-CZ3 3.84Å; V313-W349 HydrophobicContact CG1-CH2 3.47Å; V313-W349 VanDerWaalsContact CG1-CH2 3.47Å; V313-W349 HydrophobicContact CG1-CZ3 3.51Å; H317-W349 PolarHBondContact O-NE1 3.23Å; P319-W349 HydrophobicContact CB-CH2 4.02Å; P319-W349 HydrophobicContact CB-CZ2 4.36Å; P319-W349 HydrophobicContact CB-CZ3 4.44Å; P319-W349 HydrophobicContact CG-CD2 4.26Å; P319-W349 HydrophobicContact CG-CE3 4.27Å; P319-W349 HydrophobicContact CG-CH2 3.65Å; P319-W349 HydrophobicContact CG-CZ2 3.64Å; P319-W349 HydrophobicContact CG-CZ3 3.96Å; A322-W349 HydrophobicContact CB-CH2 4.3Å; V343-W349 HydrophobicContact CG1-CH2 4.02Å; V343-W349 HydrophobicContact CG1-CZ3 3.79Å; P345-W349 HydrophobicContact CB-CB 4.26Å; P345-W349 HydrophobicContact CB-CD2 4.02Å; P345-W349 HydrophobicContact CB-CE3 3.83Å; P345-W349 HydrophobicContact CB-CG 4.2Å; F346-W349 WeakPolarHBondContact O-CB 3.44Å; F346-W349 PolarHBondContact O-N 3.33Å; G347-W349 VanDerWaalsContact C-N 3.27Å; G347-W349 PolarHBondContact O-N 3.04Å; W349-K351 VanDerWaalsContact C-N 3.27Å; W349-K351 PolarHBondContact O-N 2.94Å
350	G	83.1	Confident	77.8	Confident	15 Å²	15	47.9 Å²	47.9	16%	0.155	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	-4.3	177.5	0	0	0	0	0	115.9	A348	A348-G350 PolarHBondContact O-N 3.15Å
351	K	84.3	Confident	75.3	Confident	71 Å²	71	56.9 Å²	56.9	31%	0.309	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-38	-179.8	-174.6	172.7	-177.5	170.6	0	113.3	D62 A288 A348 W349	D62-K351 IonicContact OD1-NZ 3.03Å; D62-K351 PolarHBondContact OD1-NZ 2.71Å; D62-K351 IonicContact OD2-NZ 2.74Å; D62-K351 PolarHBondContact OD2-NZ 2.99Å; A288-K351 PolarHBondContact O-NZ 3.23Å; A288-K351 VanDerWaalsContact O-NZ 3.08Å; A348-K351 HydrophobicContact CB-CB 4.43Å; A348-K351 HydrophobicContact CB-CD 4.32Å; A348-K351 WeakPolarHBondContact O-CB 3.34Å; A348-K351 PolarHBondContact O-N 2.65Å; W349-K351 VanDerWaalsContact C-N 3.27Å; W349-K351 PolarHBondContact O-N 2.94Å
352	Y	80.9	Confident	72.7	Confident	49 Å²	49	62 Å²	62	19%	0.192	32%	0.324	C	S	.	.			trans	-102.5	103.3	-178.2	-52.6	-73.7	0	0	0	109.3	K216 A288 D289 S291 N314 A348	K216-Y352 HydrophobicContact CB-CE1 4.24Å; K216-Y352 HydrophobicContact CG-CE1 4.41Å; A288-Y352 PolarHBondContact O-OH 3.09Å; D289-Y352 WeakPolarHBondContact O-CE2 3.26Å; S291-Y352 VanDerWaalsContact OG-CD2 3.25Å; S291-Y352 WeakPolarHBondContact OG-CD2 3.41Å; N314-Y352 WeakPolarHBondContact CB-O 3.41Å; N314-Y352 VanDerWaalsContact CG-O 3.28Å; N314-Y352 PolarHBondContact OD1-O 3.12Å; A348-Y352 HydrophobicContact CB-CE2 3.96Å
353	K	71.1	Confident	70.7	Confident	157 Å²	157	64.7 Å²	64.7	68%	0.683	33%	0.334	S	S	*	.			trans	-96.3	121.1	166.7	-68	-175.6	178.7	-177.7	0	108
354	N	60.3	Low	68	Low	62 Å²	62	69.3 Å²	69.3	33%	0.332	37%	0.366	S	S	.	.			trans	-76.8	124.9	171.2	-93.6	-9.2	0	0	0	109.4	D311	D311-N354 PolarHBondContact OD1-ND2 2.92Å
355	S	50.5	Low	65.5	Low	119 Å²	119	76.2 Å²	76.2	83%	0.832	40%	0.396	S	S	*	.	S	Bend	trans	-88.4	-11.2	177.5	53.6	0	0	0	0	113.6
356	E	51.6	Low	63	Low	149 Å²	149	78.2 Å²	78.2	70%	0.696	41%	0.413	S	S	*	.			trans	-132.5	124.5	-176.1	-66.1	-175.6	170.8	0	0	110.4
357	I	52.6	Low	60.8	Low	79 Å²	79	79.2 Å²	79.2	41%	0.405	42%	0.421	S	S	.	.			trans	-98.1	116.7	176.8	-52.2	170.5	0	0	0	108.5	F359	I357-F359 HydrophobicContact CB-CD2 4.22Å; I357-F359 HydrophobicContact CB-CE2 3.81Å; I357-F359 HydrophobicContact CB-CZ 4.19Å; I357-F359 HydrophobicContact CD1-CE2 4.16Å; I357-F359 HydrophobicContact CD1-CZ 4.01Å; I357-F359 HydrophobicContact CG2-CD1 3.96Å; I357-F359 HydrophobicContact CG2-CD2 3.64Å; I357-F359 HydrophobicContact CG2-CE1 3.71Å; I357-F359 HydrophobicContact CG2-CE2 3.38Å; I357-F359 HydrophobicContact CG2-CG 3.93Å; I357-F359 HydrophobicContact CG2-CZ 3.43Å; I357-F359 VanDerWaalsContact CG2-CZ 3.43Å; I357-F359 PolarHBondContact O-N 3.28Å
358	N	51.2	Low	58.8	Low	134 Å²	134	80.4 Å²	80.4	72%	0.717	43%	0.429	S	S	*	.			trans	-95.1	89	169.8	-77	-39	0	0	0	109.2	S360	N358-S360 PolarHBondContact O-N 2.78Å
359	F	53.7	Low	56.4	Low	104 Å²	104	82 Å²	82	46%	0.456	45%	0.446	S	S	.	.			trans	-68.4	117.3	172.2	-66.8	-76	0	0	0	110.2	I357 F361	I357-F359 HydrophobicContact CB-CD2 4.22Å; I357-F359 HydrophobicContact CB-CE2 3.81Å; I357-F359 HydrophobicContact CB-CZ 4.19Å; I357-F359 HydrophobicContact CD1-CE2 4.16Å; I357-F359 HydrophobicContact CD1-CZ 4.01Å; I357-F359 HydrophobicContact CG2-CD1 3.96Å; I357-F359 HydrophobicContact CG2-CD2 3.64Å; I357-F359 HydrophobicContact CG2-CE1 3.71Å; I357-F359 HydrophobicContact CG2-CE2 3.38Å; I357-F359 HydrophobicContact CG2-CG 3.93Å; I357-F359 HydrophobicContact CG2-CZ 3.43Å; I357-F359 VanDerWaalsContact CG2-CZ 3.43Å; I357-F359 PolarHBondContact O-N 3.28Å; F359-F361 HydrophobicContact CB-CD2 4.05Å; F359-F361 HydrophobicContact CB-CE2 3.73Å; F359-F361 PolarHBondContact O-N 3.24Å
360	S	50.8	Low	54.6	Low	49 Å²	49	83.5 Å²	83.5	34%	0.343	45%	0.452	S	S	.	.			trans	-87	99.6	172	-174.5	0	0	0	0	109.6	N358 S362 R363	N358-S360 PolarHBondContact O-N 2.78Å; S360-S362 VanDerWaalsContact C-N 3.29Å; S360-S362 PolarHBondContact O-N 2.68Å; S360-R363 PolarHBondContact O-NE 3.33Å
361	F	46.8	Very low	52.3	Low	189 Å²	189	90.2 Å²	90.2	83%	0.829	47%	0.472	S	S	*	.			trans	-78.1	-6.5	178.9	-84.1	-83.2	0	0	0	114.4	F359 R363	F359-F361 HydrophobicContact CB-CD2 4.05Å; F359-F361 HydrophobicContact CB-CE2 3.73Å; F359-F361 PolarHBondContact O-N 3.24Å; F361-R363 PolarHBondContact O-N 3.41Å
362	S	44	Very low	49.9	Very low	107 Å²	107	95.1 Å²	95.1	75%	0.748	53%	0.527	S	S	*	.			trans	-94.1	76.4	178.4	45.1	0	0	0	0	110.6	S360	S360-S362 VanDerWaalsContact C-N 3.29Å; S360-S362 PolarHBondContact O-N 2.68Å
363	R	55.3	Low	48.3	Very low	57 Å²	57	97.5 Å²	97.5	22%	0.215	54%	0.543	C	S	.	.			trans	-107.3	138.3	177.2	-59.8	-172.3	-172.9	172.7	8	111	M303 E308 S360 F361 F365	M303-R363 VanDerWaalsContact O-CD 3.28Å; M303-R363 WeakPolarHBondContact O-CD 3.48Å; M303-R363 PolarHBondContact O-NE 3.19Å; M303-R363 PolarHBondContact O-NH1 2.96Å; E308-R363 IonicContact OE1-CZ 3.58Å; E308-R363 IonicContact OE1-NE 3.24Å; E308-R363 IonicContact OE1-NH2 2.68Å; E308-R363 PolarHBondContact OE1-NH2 2.99Å; E308-R363 IonicContact OE2-CZ 2.74Å; E308-R363 IonicContact OE2-NE 2.72Å; E308-R363 IonicContact OE2-NH2 3.62Å; E308-R363 PolarHBondContact OE2-NH2 3.27Å; S360-R363 PolarHBondContact O-NE 3.33Å; F361-R363 PolarHBondContact O-N 3.41Å; R363-F365 WeakPolarHBondContact O-CD2 3.36Å; R363-F365 PolarHBondContact O-N 3.04Å
364	S	42.8	Very low	47.1	Very low	97 Å²	97	94.3 Å²	94.3	68%	0.678	54%	0.536	S	S	*	.			trans	-79.8	95	174.8	-172.7	0	0	0	0	109	A366	S364-A366 PolarHBondContact O-N 3.48Å
365	F	45	Very low	46.4	Very low	144 Å²	144	96.1 Å²	96.1	63%	0.632	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-64	-3.3	177.8	-81.4	-85.4	0	0	0	114.6	R363 S367	R363-F365 WeakPolarHBondContact O-CD2 3.36Å; R363-F365 PolarHBondContact O-N 3.04Å; F365-S367 PolarHBondContact O-N 3.21Å
366	A	43.9	Very low	46.1	Very low	47 Å²	47	94.8 Å²	94.8	39%	0.388	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-71.6	-10.2	-175.5	0	0	0	0	0	114	S364	S364-A366 PolarHBondContact O-N 3.48Å
367	S	46	Very low	45.8	Very low	25 Å²	25	91.4 Å²	91.4	18%	0.175	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-93.8	-13.9	-171.5	66.5	0	0	0	0	116.6	Q251 F365 G369	Q251-S367 VanDerWaalsContact NE2-CA 3.33Å; Q251-S367 PolarHBondContact NE2-O 2.84Å; F365-S367 PolarHBondContact O-N 3.21Å; S367-G369 PolarHBondContact O-N 3.22Å
368	S	45.1	Very low	45.3	Very low	26 Å²	26	92.2 Å²	92.2	18%	0.182	53%	0.528	C	S	.	.	S	Bend	trans	-77.7	-16.3	-175.3	58.4	0	0	0	0	114.7	R370	S368-R370 PolarHBondContact O-N 3.42Å; S368-R370 VanDerWaalsContact O-N 3.09Å
369	G	37.6	Very low	44.9	Very low	37 Å²	37	89.2 Å²	89.2	38%	0.381	51%	0.514	S	S	.	.			trans	-83.8	41.1	-179.1	0	0	0	0	0	114.2	S367 W371	S367-G369 PolarHBondContact O-N 3.22Å; G369-W371 PolarHBondContact O-N 3.24Å
370	R	49.8	Very low	44.2	Very low	36 Å²	36	88.1 Å²	88.1	14%	0.136	52%	0.519	C	S	.	.			trans	-74.2	117.4	171.9	-74.1	-176.1	179.7	-169	-1.1	107.6	R104 D208 A259 D298 S368	R104-R370 VanDerWaalsContact CZ-O 3.25Å; R104-R370 PolarHBondContact NH1-O 3.49Å; R104-R370 PolarHBondContact NH2-O 3.02Å; D208-R370 IonicContact OD2-CZ 3.36Å; D208-R370 IonicContact OD2-NH1 2.69Å; D208-R370 PolarHBondContact OD2-NH1 3.38Å; D208-R370 IonicContact OD2-NH2 3.85Å; A259-R370 VanDerWaalsContact CB-CZ 3.45Å; D298-R370 IonicContact OD2-CZ 3.89Å; D298-R370 IonicContact OD2-NH1 3.2Å; D298-R370 PolarHBondContact OD2-NH1 3.22Å; S368-R370 PolarHBondContact O-N 3.42Å; S368-R370 VanDerWaalsContact O-N 3.09Å
371	W	34.9	Very low	43.7	Very low	156 Å²	156	91.3 Å²	91.3	59%	0.591	53%	0.533	S	S	*	.			trans	88.5	96.6	176	-43.2	101.1	0	0	0	117.1	G369	G369-W371 PolarHBondContact O-N 3.24Å
372	A	33.3	Very low	43.4	Very low	175 Å²	175	82.5 Å²	82.5	100%	1.446	51%	0.507	S	S	*	.			trans	-111.2	0	131.3	0	0	0	0	0	108

Retrieved 372 of 372 residues in 70 ms (Link to these results)

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