A0A077ZDL5_TRITR Loading...

Glycylpeptide N-tetradecanoyltransferase

Adds a myristoyl group to the N-terminal glycine residue of certain cellular proteins.

AlphaFold DB , UniProt , Accession A0A077ZDL5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 456 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.3	Very low	37.8	Very low	222 Å²	222	146.4 Å²	146.4	100%	1.094	76%	0.757	S	S	*	*				0	70.6	0	-56.4	175.1	-176.8	0	0	109.4
2	E	32	Very low	37.9	Very low	171 Å²	171	145.4 Å²	145.4	80%	0.799	75%	0.754	S	S	*	*			cis	71.3	147.3	22.1	-62.6	163.6	124.9	0	0	116.8
3	N	37.2	Very low	38	Very low	150 Å²	150	144.4 Å²	144.4	80%	0.802	75%	0.751	S	S	*	*			trans	70.9	104.9	178.6	-51.6	-14	0	0	0	113.3
4	H	36.1	Very low	38.1	Very low	176 Å²	176	146.9 Å²	146.9	82%	0.815	76%	0.757	S	S	*	*			cis	74	146.8	15.2	-119	-64	0	0	0	116.1
5	V	38.6	Very low	37.8	Very low	130 Å²	130	148.1 Å²	148.1	79%	0.788	75%	0.754	S	S	*	*			trans	84.3	148.5	172	-175.4	0	0	0	0	116.6
6	E	37	Very low	38	Very low	142 Å²	142	144.9 Å²	144.9	66%	0.664	75%	0.747	S	S	*	*			cis	-176.2	166.5	-47.7	-147.1	170.4	-123.5	0	0	109.5
7	N	38.4	Very low	37.8	Very low	134 Å²	134	145.9 Å²	145.9	72%	0.717	75%	0.747	S	S	*	*			trans	65.1	162.3	154.9	-68.3	-34.6	0	0	0	118.8
8	S	38	Very low	37.8	Very low	99 Å²	99	148.8 Å²	148.8	69%	0.692	76%	0.757	S	S	*	*			cis	-173.6	-171.3	-22.7	55.4	0	0	0	0	107.7
9	E	38.3	Very low	37.5	Very low	134 Å²	134	146.3 Å²	146.3	63%	0.626	75%	0.754	S	S	*	*			cis	-151.2	168.1	5.7	-57.5	-168.4	105.9	0	0	111.3
10	K	38.8	Very low	37.5	Very low	162 Å²	162	146.9 Å²	146.9	70%	0.704	76%	0.758	S	S	*	*			trans	61.7	154.8	139.2	-75	165.4	-163.7	162	0	122.3
11	S	38.8	Very low	37.4	Very low	90 Å²	90	145.3 Å²	145.3	63%	0.629	76%	0.76	S	S	*	*			cis	-177.1	158.4	-15.4	53.9	0	0	0	0	114.2
12	N	39	Very low	36.9	Very low	135 Å²	135	143.7 Å²	143.7	72%	0.722	75%	0.749	S	S	*	*			trans	67.2	149.4	156.3	-70	40.3	0	0	0	118.9
13	D	39.6	Very low	37.1	Very low	132 Å²	132	141.5 Å²	141.5	71%	0.706	75%	0.753	S	S	*	*			cis	-154.8	-163.3	-15.3	-82	-30.5	0	0	0	107.2
14	E	39	Very low	36.8	Very low	179 Å²	179	140.9 Å²	140.9	84%	0.836	76%	0.755	S	S	*	*			cis	-156.7	-160.8	5	-148.7	-178.8	-173.4	0	0	111.2
15	K	34.4	Very low	36.9	Very low	166 Å²	166	138.3 Å²	138.3	72%	0.722	76%	0.757	S	S	*	*			trans	-168.2	-175.8	-177.9	-123.1	-168.9	171.4	-146.8	0	109.7	E17	K15-E17 IonicContact NZ-OE1 3.52Å
16	P	40.2	Very low	36.6	Very low	97 Å²	97	140.4 Å²	140.4	63%	0.63	76%	0.764	S	S	*	*			cis	-138	-175.7	-10.9	41.3	-20.9	0	0	0	117
17	E	34.7	Very low	36.4	Very low	161 Å²	161	137.5 Å²	137.5	75%	0.752	77%	0.772	S	S	*	*			trans	24.3	134.5	143.6	-68.2	153.2	-135.9	0	0	125	K15	K15-E17 IonicContact NZ-OE1 3.52Å
18	E	37.6	Very low	36	Very low	199 Å²	199	135.5 Å²	135.5	93%	0.93	77%	0.774	S	S	*	*				-161.1	-176	125	-126.8	178.7	-162.8	0	0	112.7
19	S	32.7	Very low	35.6	Very low	100 Å²	100	136.9 Å²	136.9	70%	0.699	77%	0.774	S	S	*	*			trans	-155	164.8	-166.1	70.8	0	0	0	0	115.5
20	L	37	Very low	35.1	Very low	158 Å²	158	141.3 Å²	141.3	83%	0.827	79%	0.785	S	S	*	*			trans	165.2	139.1	136.4	-92.8	162.6	0	0	0	118
21	S	35.9	Very low	34.7	Very low	115 Å²	115	139.6 Å²	139.6	80%	0.804	79%	0.793	S	S	*	*			trans	76.7	160.5	139.3	69.7	0	0	0	0	123.4
22	E	32.2	Very low	34.1	Very low	187 Å²	187	139.4 Å²	139.4	87%	0.874	81%	0.805	S	S	*	*			trans	-113.8	165	-160.3	-52.8	163.1	109.4	0	0	114.6
23	S	35.7	Very low	33.5	Very low	126 Å²	126	138 Å²	138	88%	0.881	81%	0.805	S	S	*	*			trans	-175.3	169.8	135.3	33	0	0	0	0	112.4
24	T	32	Very low	33.1	Very low	137 Å²	137	141 Å²	141	84%	0.84	81%	0.812	S	S	*	*			trans	-120.2	157.2	-158.1	50.2	0	0	0	0	115.7
25	S	36.6	Very low	32.4	Very low	122 Å²	122	138.7 Å²	138.7	85%	0.853	81%	0.81	S	S	*	*			trans	-173.1	160	146.9	31.8	0	0	0	0	112.3
26	D	32.1	Very low	32.1	Very low	174 Å²	174	137.8 Å²	137.8	93%	0.93	81%	0.812	S	S	*	*			trans	-86.1	157.1	-166.2	-61	-86.3	0	0	0	116.6
27	G	33.7	Very low	31.4	Very low	81 Å²	81	138 Å²	138	84%	0.835	82%	0.815	S	S	*	*			trans	-178.2	106	167.6	0	0	0	0	0	113.6
28	A	29.2	Very low	31.2	Very low	91 Å²	91	136.8 Å²	136.8	75%	0.752	82%	0.818	S	S	*	*			trans	-100.3	136	-171.4	0	0	0	0	0	114.5
29	N	29.4	Very low	31	Very low	129 Å²	129	133 Å²	133	69%	0.69	81%	0.809	S	S	*	*				176.8	144.5	117.4	-101.8	-80.4	0	0	0	115
30	R	28.6	Very low	30.8	Very low	227 Å²	227	137 Å²	137	86%	0.857	82%	0.816	S	S	*	*			trans	51.6	94.3	144	-61.7	164.4	-167.6	-156	-2.6	120.2
31	S	31	Very low	30.7	Very low	126 Å²	126	134.4 Å²	134.4	88%	0.881	80%	0.803	S	S	*	*				-154.2	146.4	114.8	65.8	0	0	0	0	110.5
32	G	25.6	Very low	30.5	Very low	85 Å²	85	133 Å²	133	88%	0.876	79%	0.791	S	S	*	*			trans	-123.8	73.8	-169.7	0	0	0	0	0	113.4
33	S	27.4	Very low	30.8	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	79%	0.785	S	S	*	*			trans	-105.4	105.3	172.1	-170.5	0	0	0	0	110.5	V35	S33-V35 PolarHBondContact O-N 3.17Å
34	K	29.3	Very low	30.6	Very low	196 Å²	196	132.1 Å²	132.1	85%	0.852	78%	0.776	S	S	*	*			trans	-83.9	89.5	175	-85.1	-170.3	172.2	-177	0	110.7	I36	K34-I36 PolarHBondContact O-N 2.73Å
35	V	25.7	Very low	30.7	Very low	131 Å²	131	130.6 Å²	130.6	79%	0.794	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-64.6	121.7	158.8	-179.6	0	0	0	0	107.8	S33	S33-V35 PolarHBondContact O-N 3.17Å
36	I	28.3	Very low	30.6	Very low	147 Å²	147	128.8 Å²	128.8	75%	0.754	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-95.5	118	174.3	-62.6	178	0	0	0	107.9	K34	K34-I36 PolarHBondContact O-N 2.73Å
37	S	24.7	Very low	30.7	Very low	100 Å²	100	128.6 Å²	128.6	70%	0.699	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-68.2	139.5	173.9	43.1	0	0	0	0	111.1	V39	S37-V39 PolarHBondContact O-N 3.04Å
38	V	31.1	Very low	30.6	Very low	136 Å²	136	130 Å²	130	82%	0.824	71%	0.714	S	S	*	*			trans	-85.5	112.3	173.7	-179.7	0	0	0	0	108.1
39	V	32.7	Very low	30.7	Very low	120 Å²	120	135.1 Å²	135.1	73%	0.727	71%	0.714	S	S	*	*			trans	-68.6	128.6	171.8	178.8	0	0	0	0	109.1	S37	S37-V39 PolarHBondContact O-N 3.04Å
40	E	28.7	Very low	30.8	Very low	183 Å²	183	133.9 Å²	133.9	86%	0.855	71%	0.707	S	S	*	*			trans	-73.5	125.8	175.4	-61.3	-170.5	130.9	0	0	110.3
41	I	34	Very low	30.8	Very low	105 Å²	105	128.1 Å²	128.1	54%	0.538	69%	0.693	S	S	.	*			trans	-104.2	128.8	173.1	-62	176.4	0	0	0	107.5	E43 E45	I41-E43 PolarHBondContact O-N 2.73Å; I41-E45 HydrophobicContact CG2-CB 4.39Å
42	P	33.4	Very low	30.6	Very low	85 Å²	85	126.8 Å²	126.8	55%	0.552	68%	0.679	S	S	*	*			trans	-54.4	137.5	-177.2	-28.9	36.3	0	0	0	114	L44 E45 L46	P42-L44 PolarHBondContact O-N 2.82Å; P42-E45 PolarHBondContact O-N 3.3Å; P42-L46 PolarHBondContact O-N 2.71Å
43	E	37.4	Very low	30.7	Very low	161 Å²	161	126.2 Å²	126.2	75%	0.752	66%	0.656	S	S	*	*	H	α-helix	trans	-61.5	-22.9	-168.8	-162.1	170.9	-152	0	0	113.9	I41 R47	I41-E43 PolarHBondContact O-N 2.73Å; E43-R47 PolarHBondContact O-N 3.39Å
44	L	31.5	Very low	30.8	Very low	134 Å²	134	125.1 Å²	125.1	70%	0.702	64%	0.641	S	S	*	*	H	α-helix	trans	-72.6	-38.7	174.8	-85.4	74	0	0	0	113.3	P42 R47 N48	P42-L44 PolarHBondContact O-N 2.82Å; L44-R47 WeakPolarHBondContact O-CB 3.44Å; L44-R47 PolarHBondContact O-N 2.75Å; L44-N48 PolarHBondContact O-N 3.32Å
45	E	34.9	Very low	30.7	Very low	104 Å²	104	120.4 Å²	120.4	49%	0.486	63%	0.629	S	S	.	*	H	α-helix	trans	-73	-34.1	177.9	-69.5	-160.9	108.8	0	0	111.6	I41 P42 R47 N48 R49	I41-E45 HydrophobicContact CG2-CB 4.39Å; P42-E45 PolarHBondContact O-N 3.3Å; E45-R47 VanDerWaalsContact C-N 3.32Å; E45-R47 PolarHBondContact O-N 2.98Å; E45-N48 PolarHBondContact O-N 2.96Å; E45-R49 PolarHBondContact O-N 2.88Å; E45-R49 VanDerWaalsContact O-N 3.11Å
46	L	34.4	Very low	30.8	Very low	84 Å²	84	120.8 Å²	120.8	44%	0.44	63%	0.626	S	S	.	*	H	α-helix	trans	-66.3	-34.8	176.4	-149.6	79.8	0	0	0	111.9	P42 L50	P42-L46 PolarHBondContact O-N 2.71Å; L46-L50 PolarHBondContact O-N 2.61Å
47	R	34.5	Very low	30.7	Very low	170 Å²	170	118 Å²	118	64%	0.642	62%	0.62	S	S	*	*	H	α-helix	trans	-57.5	-60.1	168.4	-102.5	176.3	161.9	155.3	-5.6	110.7	E43 L44 E45 R49 L50 L51	E43-R47 PolarHBondContact O-N 3.39Å; L44-R47 WeakPolarHBondContact O-CB 3.44Å; L44-R47 PolarHBondContact O-N 2.75Å; E45-R47 VanDerWaalsContact C-N 3.32Å; E45-R47 PolarHBondContact O-N 2.98Å; R47-R49 PolarHBondContact O-N 3.49Å; R47-R49 VanDerWaalsContact O-N 3.13Å; R47-L50 PolarHBondContact O-N 2.78Å; R47-L51 VanDerWaalsContact O-CD1 3.24Å; R47-L51 WeakPolarHBondContact O-CD1 3.48Å; R47-L51 PolarHBondContact O-N 3.44Å
48	N	30.5	Very low	30.7	Very low	111 Å²	111	117.6 Å²	117.6	59%	0.594	62%	0.622	S	S	*	*	H	α-helix	trans	-62.4	-26.7	-172.5	-73.1	-10.3	0	0	0	113.8	L44 E45 T52	L44-N48 PolarHBondContact O-N 3.32Å; E45-N48 PolarHBondContact O-N 2.96Å; N48-T52 PolarHBondContact O-OG1 3.11Å
49	R	32	Very low	30.5	Very low	198 Å²	198	113.6 Å²	113.6	75%	0.747	61%	0.609	S	S	*	*	H	α-helix	trans	-88.3	-9.1	176.4	-69.4	-175.4	175.1	-176.8	1.4	115.5	E45 R47	E45-R49 PolarHBondContact O-N 2.88Å; E45-R49 VanDerWaalsContact O-N 3.11Å; R47-R49 PolarHBondContact O-N 3.49Å; R47-R49 VanDerWaalsContact O-N 3.13Å
50	L	31.2	Very low	30.4	Very low	103 Å²	103	111.2 Å²	111.2	54%	0.539	59%	0.592	S	S	.	*	H	α-helix	trans	-94.6	-27.5	162.8	-116.1	74.4	0	0	0	112.3	L46 R47 T52	L46-L50 PolarHBondContact O-N 2.61Å; R47-L50 PolarHBondContact O-N 2.78Å; L50-T52 VanDerWaalsContact C-N 3.28Å; L50-T52 PolarHBondContact O-N 2.94Å
51	L	27.7	Very low	30.7	Very low	106 Å²	106	105 Å²	105	56%	0.555	58%	0.576	S	S	*	*	S	Bend	trans	-69.1	-17	179.4	-99.2	71.2	0	0	0	114.4	R47 L53	R47-L51 VanDerWaalsContact O-CD1 3.24Å; R47-L51 WeakPolarHBondContact O-CD1 3.48Å; R47-L51 PolarHBondContact O-N 3.44Å; L51-L53 PolarHBondContact O-N 2.72Å
52	T	26.8	Very low	30.7	Very low	98 Å²	98	107.7 Å²	107.7	60%	0.601	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	41	-170	-8.7	0	0	0	0	114.9	N48 L50	N48-T52 PolarHBondContact O-OG1 3.11Å; L50-T52 VanDerWaalsContact C-N 3.28Å; L50-T52 PolarHBondContact O-N 2.94Å
53	L	29.5	Very low	31.5	Very low	73 Å²	73	105.3 Å²	105.3	38%	0.382	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-143.8	-11.8	178.8	-118.3	171.3	0	0	0	114.4	L51 I70	L51-L53 PolarHBondContact O-N 2.72Å; L53-I70 HydrophobicContact CD2-CG2 4.29Å; L53-I70 HydrophobicContact CG-CG2 4.29Å
54	L	28.8	Very low	32.7	Very low	82 Å²	82	99.1 Å²	99.1	43%	0.429	54%	0.535	S	S	.	.			trans	-135.2	74	-159.7	-61.7	-178.9	0	0	0	110.1	D145	L54-D145 WeakPolarHBondContact CA-OD2 3.48Å; L54-D145 HydrophobicContact CB-CB 3.96Å; L54-D145 VanDerWaalsContact CB-OD2 3.26Å; L54-D145 WeakPolarHBondContact CB-OD2 3.19Å
55	T	27.7	Very low	34.3	Very low	98 Å²	98	96.3 Å²	96.3	60%	0.601	52%	0.523	S	S	*	.			trans	-148.5	127.1	-172.6	46.2	0	0	0	0	115.1
56	L	26.6	Very low	36.1	Very low	139 Å²	139	96.2 Å²	96.2	73%	0.728	52%	0.521	S	S	*	.			trans	78.9	94.5	150.6	-61.5	167.2	0	0	0	119
57	S	25.5	Very low	38.1	Very low	89 Å²	89	93.3 Å²	93.3	62%	0.622	51%	0.509	S	S	*	.				61.2	121.3	122.8	70.1	0	0	0	0	120.5
58	A	25.7	Very low	40.2	Very low	90 Å²	90	86.9 Å²	86.9	74%	0.744	49%	0.485	S	S	*	.	S	Bend	trans	68.2	127	169	0	0	0	0	0	115.5	D60	A58-D60 PolarHBondContact O-N 2.88Å
59	G	27.5	Very low	42.6	Very low	53 Å²	53	86.7 Å²	86.7	55%	0.546	48%	0.48	S	S	.	.			trans	-61.3	119.2	-174	0	0	0	0	0	113.5
60	D	30.3	Very low	45	Very low	70 Å²	70	80 Å²	80	37%	0.374	46%	0.459	S	S	.	.			trans	-150.8	132.2	168.1	-169	-50.2	0	0	0	107.1	A58 R62 N63	A58-D60 PolarHBondContact O-N 2.88Å; D60-R62 PolarHBondContact O-N 3.47Å; D60-R62 WeakPolarHBondContact OD1-CB 3.44Å; D60-R62 VanDerWaalsContact OD1-CG 3.25Å; D60-R62 WeakPolarHBondContact OD1-CG 3.45Å; D60-R62 IonicContact OD1-CZ 3Å; D60-R62 PolarHBondContact OD1-N 3.22Å; D60-R62 IonicContact OD1-NE 3.15Å; D60-R62 PolarHBondContact OD1-NE 3.26Å; D60-R62 IonicContact OD1-NH2 2.68Å; D60-R62 IonicContact OD2-CZ 3.85Å; D60-R62 IonicContact OD2-NE 2.68Å; D60-R62 PolarHBondContact OD2-NE 2.84Å; D60-R62 IonicContact OD2-NH2 3.81Å; D60-R62 PolarHBondContact OD2-NH2 2.88Å; D60-N63 PolarHBondContact O-N 2.6Å; D60-N63 VanDerWaalsContact O-N 3.09Å
61	G	34.4	Very low	47.4	Very low	51 Å²	51	75.3 Å²	75.3	53%	0.526	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-18.6	-175.8	0	0	0	0	0	114	N63 N64 T65	G61-N63 PolarHBondContact O-N 2.85Å; G61-N63 VanDerWaalsContact O-N 3.1Å; G61-N64 WeakPolarHBondContact O-CB 3.4Å; G61-N64 PolarHBondContact O-N 2.85Å; G61-T65 PolarHBondContact O-N 2.75Å
62	R	34.3	Very low	50	Low	162 Å²	162	76.3 Å²	76.3	61%	0.611	43%	0.431	S	S	*	.	H	α-helix	trans	-49.1	-29.1	170.1	-76.6	177.5	-106.5	-165.9	-3	114.7	D60 N64 T65 K66	D60-R62 PolarHBondContact O-N 3.47Å; D60-R62 WeakPolarHBondContact OD1-CB 3.44Å; D60-R62 VanDerWaalsContact OD1-CG 3.25Å; D60-R62 WeakPolarHBondContact OD1-CG 3.45Å; D60-R62 IonicContact OD1-CZ 3Å; D60-R62 PolarHBondContact OD1-N 3.22Å; D60-R62 IonicContact OD1-NE 3.15Å; D60-R62 PolarHBondContact OD1-NE 3.26Å; D60-R62 IonicContact OD1-NH2 2.68Å; D60-R62 IonicContact OD2-CZ 3.85Å; D60-R62 IonicContact OD2-NE 2.68Å; D60-R62 PolarHBondContact OD2-NE 2.84Å; D60-R62 IonicContact OD2-NH2 3.81Å; D60-R62 PolarHBondContact OD2-NH2 2.88Å; R62-N64 VanDerWaalsContact C-N 3.34Å; R62-T65 WeakPolarHBondContact O-CB 3.42Å; R62-T65 PolarHBondContact O-N 3.21Å; R62-K66 WeakPolarHBondContact O-CG 3.35Å; R62-K66 PolarHBondContact O-N 2.89Å
63	N	50.4	Low	52.7	Low	36 Å²	36	79.4 Å²	79.4	19%	0.193	44%	0.439	C	S	.	.	H	α-helix	trans	-68.3	-33.1	179	-80.3	-1.5	0	0	0	112.5	D60 G61 K66 A67	D60-N63 PolarHBondContact O-N 2.6Å; D60-N63 VanDerWaalsContact O-N 3.09Å; G61-N63 PolarHBondContact O-N 2.85Å; G61-N63 VanDerWaalsContact O-N 3.1Å; N63-K66 PolarHBondContact OD1-NZ 2.88Å; N63-A67 WeakPolarHBondContact O-CB 3.35Å; N63-A67 PolarHBondContact O-N 3.06Å; N63-A67 VanDerWaalsContact O-N 3.09Å
64	N	62.9	Low	55.2	Low	31 Å²	31	80.4 Å²	80.4	17%	0.166	44%	0.44	C	S	.	.	H	α-helix	trans	-67	-45.2	170.4	-161.8	10.9	0	0	0	110.7	G61 R62 K66 A67 W68 S254 Q435	G61-N64 WeakPolarHBondContact O-CB 3.4Å; G61-N64 PolarHBondContact O-N 2.85Å; R62-N64 VanDerWaalsContact C-N 3.34Å; N64-K66 PolarHBondContact O-N 2.89Å; N64-A67 WeakPolarHBondContact O-CB 3.22Å; N64-A67 PolarHBondContact O-N 2.9Å; N64-A67 VanDerWaalsContact O-N 3.07Å; N64-W68 VanDerWaalsContact O-CD1 3.3Å; N64-W68 PolarHBondContact O-N 3.45Å; N64-W68 VanDerWaalsContact OD1-CD1 3.22Å; N64-W68 PolarHBondContact OD1-NE1 3.47Å; N64-S254 PolarHBondContact ND2-OG 3.37Å; N64-Q435 PolarHBondContact OD1-NE2 2.94Å
65	T	65.1	Low	57.8	Low	75 Å²	75	81.1 Å²	81.1	46%	0.46	45%	0.452	S	S	.	.	H	α-helix	trans	-55.1	-48.8	176.9	-40.2	0	0	0	0	111.9	G61 R62 A67 W68 E69	G61-T65 PolarHBondContact O-N 2.75Å; R62-T65 WeakPolarHBondContact O-CB 3.42Å; R62-T65 PolarHBondContact O-N 3.21Å; T65-A67 PolarHBondContact O-N 2.94Å; T65-W68 PolarHBondContact O-N 3.21Å; T65-E69 WeakPolarHBondContact O-CG 3.33Å; T65-E69 PolarHBondContact O-N 2.73Å
66	K	72.5	Confident	60.6	Low	101 Å²	101	78.1 Å²	78.1	44%	0.439	43%	0.431	S	S	.	.	H	α-helix	trans	-59.2	-43.4	174.6	-68.7	170.5	-168.3	161.7	0	112.2	R62 N63 N64 W68 E69 I70	R62-K66 WeakPolarHBondContact O-CG 3.35Å; R62-K66 PolarHBondContact O-N 2.89Å; N63-K66 PolarHBondContact OD1-NZ 2.88Å; N64-K66 PolarHBondContact O-N 2.89Å; K66-W68 VanDerWaalsContact C-N 3.3Å; K66-W68 PolarHBondContact O-N 3.09Å; K66-E69 PolarHBondContact O-N 2.66Å; K66-I70 VanDerWaalsContact O-CB 3.26Å; K66-I70 WeakPolarHBondContact O-CB 3.47Å; K66-I70 WeakPolarHBondContact O-CD1 3.49Å; K66-I70 WeakPolarHBondContact O-CG1 3.25Å; K66-I70 PolarHBondContact O-N 2.73Å
67	A	75.9	Confident	63.6	Low	23 Å²	23	77.6 Å²	77.6	19%	0.19	43%	0.425	C	S	.	.	H	α-helix	trans	-62.3	-38.8	179.6	0	0	0	0	0	111.7	N63 N64 T65 A71 V247	N63-A67 WeakPolarHBondContact O-CB 3.35Å; N63-A67 PolarHBondContact O-N 3.06Å; N63-A67 VanDerWaalsContact O-N 3.09Å; N64-A67 WeakPolarHBondContact O-CB 3.22Å; N64-A67 PolarHBondContact O-N 2.9Å; N64-A67 VanDerWaalsContact O-N 3.07Å; T65-A67 PolarHBondContact O-N 2.94Å; A67-A71 VanDerWaalsContact O-CB 3.25Å; A67-A71 WeakPolarHBondContact O-CB 3.49Å; A67-A71 PolarHBondContact O-N 2.9Å; A67-V247 HydrophobicContact CB-CG2 4.09Å
68	W	79.8	Confident	66.8	Low	36 Å²	36	74 Å²	74	14%	0.136	40%	0.398	C	S	.	.	H	α-helix	trans	-69.3	-41.3	173.5	-83.3	74.6	0	0	0	113.4	N64 T65 K66 A71 R72 F87 V247 R250 P251 E445	N64-W68 VanDerWaalsContact O-CD1 3.3Å; N64-W68 PolarHBondContact O-N 3.45Å; N64-W68 VanDerWaalsContact OD1-CD1 3.22Å; N64-W68 PolarHBondContact OD1-NE1 3.47Å; T65-W68 PolarHBondContact O-N 3.21Å; K66-W68 VanDerWaalsContact C-N 3.3Å; K66-W68 PolarHBondContact O-N 3.09Å; W68-A71 PolarHBondContact O-N 3.48Å; W68-R72 PolarHBondContact O-N 2.95Å; W68-F87 HydrophobicContact CE3-CD1 4.35Å; W68-F87 HydrophobicContact CZ3-CD1 4.18Å; W68-V247 HydrophobicContact CD2-CG1 4.19Å; W68-V247 HydrophobicContact CG-CG1 4.3Å; W68-R250 HydrophobicContact CH2-CG 4.29Å; W68-R250 HydrophobicContact CZ3-CG 4.41Å; W68-P251 HydrophobicContact CH2-CB 4.46Å; W68-P251 HydrophobicContact CH2-CG 3.94Å; W68-P251 HydrophobicContact CZ2-CB 4.13Å; W68-P251 HydrophobicContact CZ2-CG 3.59Å; W68-E445 WeakPolarHBondContact CH2-OE1 3.27Å
69	E	80.5	Confident	70	Confident	106 Å²	106	71.2 Å²	71.2	50%	0.495	37%	0.368	S	S	.	.	H	α-helix	trans	-60.6	-48.5	173.8	-72.6	166.8	178.7	0	0	111.3	T65 K66 A71 R72 Q73	T65-E69 WeakPolarHBondContact O-CG 3.33Å; T65-E69 PolarHBondContact O-N 2.73Å; K66-E69 PolarHBondContact O-N 2.66Å; E69-A71 VanDerWaalsContact C-N 3.27Å; E69-A71 PolarHBondContact O-N 2.92Å; E69-R72 PolarHBondContact O-N 3.34Å; E69-Q73 WeakPolarHBondContact O-CG 3.29Å; E69-Q73 PolarHBondContact O-N 2.75Å
70	I	82.4	Confident	73.1	Confident	58 Å²	58	72 Å²	72	30%	0.297	36%	0.36	S	S	.	.	H	α-helix	trans	-63.9	-31.6	176.7	-70.9	167.2	0	0	0	111.5	L53 K66 K74	L53-I70 HydrophobicContact CD2-CG2 4.29Å; L53-I70 HydrophobicContact CG-CG2 4.29Å; K66-I70 VanDerWaalsContact O-CB 3.26Å; K66-I70 WeakPolarHBondContact O-CB 3.47Å; K66-I70 WeakPolarHBondContact O-CD1 3.49Å; K66-I70 WeakPolarHBondContact O-CG1 3.25Å; K66-I70 PolarHBondContact O-N 2.73Å; I70-K74 HydrophobicContact CG2-CD 4.49Å; I70-K74 VanDerWaalsContact O-CD 3.3Å; I70-K74 WeakPolarHBondContact O-CD 3.43Å; I70-K74 WeakPolarHBondContact O-CE 3.39Å; I70-K74 VanDerWaalsContact O-CG 3.32Å; I70-K74 WeakPolarHBondContact O-CG 3.39Å
71	A	81.9	Confident	76.1	Confident	4 Å²	4	73.2 Å²	73.2	3%	0.033	37%	0.37	C	S	.	.	H	α-helix	trans	-73.2	-49.7	174.4	0	0	0	0	0	111.7	A67 W68 E69 Q73 K74 F76 F87 V247	A67-A71 VanDerWaalsContact O-CB 3.25Å; A67-A71 WeakPolarHBondContact O-CB 3.49Å; A67-A71 PolarHBondContact O-N 2.9Å; W68-A71 PolarHBondContact O-N 3.48Å; E69-A71 VanDerWaalsContact C-N 3.27Å; E69-A71 PolarHBondContact O-N 2.92Å; A71-Q73 PolarHBondContact O-N 3.47Å; A71-Q73 VanDerWaalsContact O-N 3.1Å; A71-K74 WeakPolarHBondContact O-CB 3.43Å; A71-K74 PolarHBondContact O-N 2.82Å; A71-F76 HydrophobicContact CB-CZ 4.31Å; A71-F76 WeakPolarHBondContact O-CE2 3.47Å; A71-F87 HydrophobicContact CB-CE1 4.47Å; A71-F87 HydrophobicContact CB-CE2 4.42Å; A71-F87 HydrophobicContact CB-CZ 3.89Å; A71-V247 HydrophobicContact CB-CB 3.82Å; A71-V247 HydrophobicContact CB-CG1 3.6Å
72	R	81.8	Confident	79	Confident	127 Å²	127	72 Å²	72	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-56.6	-28.3	178.6	-81.6	-179.5	160.1	140.6	6.7	113.6	W68 E69 K74 F87 D88	W68-R72 PolarHBondContact O-N 2.95Å; E69-R72 PolarHBondContact O-N 3.34Å; R72-K74 VanDerWaalsContact C-N 3.32Å; R72-F87 HydrophobicContact CG-CB 4.02Å; R72-F87 HydrophobicContact CG-CD1 4.47Å; R72-F87 HydrophobicContact CG-CD2 4.44Å; R72-F87 HydrophobicContact CG-CG 4.09Å; R72-F87 PolarHBondContact NH2-O 3.31Å; R72-D88 IonicContact CZ-OD1 2.7Å; R72-D88 IonicContact NE-OD1 2.79Å; R72-D88 PolarHBondContact NE-OD1 2.96Å; R72-D88 IonicContact NH2-OD1 3.74Å
73	Q	82.1	Confident	81.9	Confident	164 Å²	164	64.9 Å²	64.9	77%	0.766	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-5.7	175.9	-67.1	173.7	18.8	0	0	114.6	E69 A71	E69-Q73 WeakPolarHBondContact O-CG 3.29Å; E69-Q73 PolarHBondContact O-N 2.75Å; A71-Q73 PolarHBondContact O-N 3.47Å; A71-Q73 VanDerWaalsContact O-N 3.1Å
74	K	82.3	Confident	84	Confident	93 Å²	93	63.6 Å²	63.6	40%	0.404	32%	0.319	S	S	.	.	S	Bend	trans	-102.5	135.2	-177	-71.5	168.6	-174.8	176.5	0	111.8	I70 A71 R72 F76	I70-K74 HydrophobicContact CG2-CD 4.49Å; I70-K74 VanDerWaalsContact O-CD 3.3Å; I70-K74 WeakPolarHBondContact O-CD 3.43Å; I70-K74 WeakPolarHBondContact O-CE 3.39Å; I70-K74 VanDerWaalsContact O-CG 3.32Å; I70-K74 WeakPolarHBondContact O-CG 3.39Å; A71-K74 WeakPolarHBondContact O-CB 3.43Å; A71-K74 PolarHBondContact O-N 2.82Å; R72-K74 VanDerWaalsContact C-N 3.32Å; K74-F76 HydrophobicContact CB-CD2 4.35Å; K74-F76 HydrophobicContact CB-CE2 3.82Å; K74-F76 HydrophobicContact CB-CZ 4.21Å; K74-F76 WeakPolarHBondContact O-CD2 2.98Å; K74-F76 WeakPolarHBondContact O-CE2 3.32Å
75	S	84.5	Confident	85.5	Confident	98 Å²	98	62.5 Å²	62.5	69%	0.685	31%	0.313	S	S	*	.			trans	-76.5	127.4	164.8	173.7	0	0	0	0	110.2
76	F	87	Confident	86.7	Confident	35 Å²	35	62.7 Å²	62.7	15%	0.154	31%	0.308	C	S	.	.			trans	-106.2	56.8	-177.9	-72.3	-94.1	0	0	0	111.3	A71 K74 F78 W79 D80 F87 L248 P249	A71-F76 HydrophobicContact CB-CZ 4.31Å; A71-F76 WeakPolarHBondContact O-CE2 3.47Å; K74-F76 HydrophobicContact CB-CD2 4.35Å; K74-F76 HydrophobicContact CB-CE2 3.82Å; K74-F76 HydrophobicContact CB-CZ 4.21Å; K74-F76 WeakPolarHBondContact O-CD2 2.98Å; K74-F76 WeakPolarHBondContact O-CE2 3.32Å; F76-F78 CarbonylContact O-C 3.29Å; F76-F78 VanDerWaalsContact O-C 3.29Å; F76-F78 PolarHBondContact O-N 3.09Å; F76-W79 HydrophobicContact CB-CB 4.06Å; F76-W79 PolarHBondContact O-N 3.06Å; F76-D80 WeakPolarHBondContact CA-OD2 3.42Å; F76-D80 PolarHBondContact N-OD2 3.45Å; F76-D80 PolarHBondContact O-N 3.34Å; F76-F87 HydrophobicContact CD2-CE2 4.03Å; F76-F87 AromaticContact CE2-CE2 3.57Å; F76-F87 HydrophobicContact CE2-CE2 3.57Å; F76-F87 HydrophobicContact CE2-CZ 4.13Å; F76-F87 HydrophobicContact CZ-CE2 4.29Å; F76-F87 HydrophobicContact CZ-CZ 4.41Å; F76-L248 HydrophobicContact CD1-CD2 4.35Å; F76-L248 HydrophobicContact CE1-CD2 3.87Å; F76-P249 HydrophobicContact CB-CG 4.01Å; F76-P249 HydrophobicContact CD1-CG 4.48Å; F76-P249 HydrophobicContact CD2-CG 3.85Å; F76-P249 HydrophobicContact CE2-CG 4.42Å; F76-P249 HydrophobicContact CG-CG 3.88Å
77	Q	89.6	Confident	87.5	Confident	128 Å²	128	58.6 Å²	58.6	60%	0.598	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-33	-27.7	-179.2	-63.5	178.1	-14.6	0	0	118.5
78	F	93	Very high	88	Confident	13 Å²	13	63.4 Å²	63.4	6%	0.057	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-65.2	169.1	172.5	-114.6	0	0	0	112	F76 D80 T81 Q82 P222 I225 R226	F76-F78 CarbonylContact O-C 3.29Å; F76-F78 VanDerWaalsContact O-C 3.29Å; F76-F78 PolarHBondContact O-N 3.09Å; F78-D80 PolarHBondContact O-N 3.18Å; F78-D80 VanDerWaalsContact O-N 3.08Å; F78-T81 WeakPolarHBondContact O-CB 3.44Å; F78-T81 PolarHBondContact O-N 2.93Å; F78-T81 PolarHBondContact O-OG1 3.37Å; F78-Q82 HydrophobicContact CD2-CG 4.49Å; F78-Q82 HydrophobicContact CE1-CG 4.02Å; F78-Q82 HydrophobicContact CE2-CG 4.01Å; F78-Q82 HydrophobicContact CZ-CG 3.75Å; F78-P222 HydrophobicContact CB-CB 4.28Å; F78-P222 HydrophobicContact CB-CG 3.98Å; F78-P222 HydrophobicContact CD1-CB 4.3Å; F78-P222 HydrophobicContact CD1-CG 4.18Å; F78-P222 HydrophobicContact CD2-CB 3.7Å; F78-P222 HydrophobicContact CD2-CG 4.28Å; F78-P222 HydrophobicContact CE2-CB 4.12Å; F78-P222 HydrophobicContact CG-CB 3.8Å; F78-P222 HydrophobicContact CG-CG 3.85Å; F78-I225 HydrophobicContact CD1-CD1 4.48Å; F78-I225 HydrophobicContact CE1-CB 4.18Å; F78-I225 HydrophobicContact CE1-CD1 3.73Å; F78-I225 HydrophobicContact CE1-CG2 3.95Å; F78-I225 HydrophobicContact CZ-CB 3.97Å; F78-I225 HydrophobicContact CZ-CD1 4.38Å; F78-I225 HydrophobicContact CZ-CG2 3.7Å; F78-R226 HydrophobicContact CE2-CG 3.99Å; F78-R226 HydrophobicContact CZ-CG 4.44Å
79	W	92.5	Very high	88.4	Confident	32 Å²	32	64.4 Å²	64.4	12%	0.121	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-55.5	-27.2	179.6	-64.6	108.7	0	0	0	113.2	F76 T81 Q82 V84 I225 Y242 L248 P249	F76-W79 HydrophobicContact CB-CB 4.06Å; F76-W79 PolarHBondContact O-N 3.06Å; W79-T81 PolarHBondContact O-N 3.42Å; W79-T81 VanDerWaalsContact O-N 3.09Å; W79-Q82 HydrophobicContact CE3-CB 4.2Å; W79-Q82 HydrophobicContact CE3-CG 4.11Å; W79-Q82 PolarHBondContact O-N 2.8Å; W79-V84 HydrophobicContact CE3-CG1 4.34Å; W79-V84 HydrophobicContact CE3-CG2 4.21Å; W79-V84 HydrophobicContact CZ3-CG1 4.37Å; W79-I225 HydrophobicContact CH2-CD1 4.42Å; W79-I225 HydrophobicContact CZ2-CD1 4.12Å; W79-Y242 AromaticContact CH2-CE2 3.96Å; W79-Y242 HydrophobicContact CH2-CE2 3.96Å; W79-Y242 AromaticContact CH2-CZ 3.71Å; W79-Y242 WeakPolarHBondContact CH2-OH 3.5Å; W79-Y242 HydrophobicContact CZ2-CE2 4.49Å; W79-Y242 AromaticContact CZ3-CZ 3.95Å; W79-Y242 WeakPolarHBondContact CZ3-OH 3.39Å; W79-L248 HydrophobicContact CZ2-CD1 3.82Å; W79-P249 HydrophobicContact CB-CG 4.13Å
80	D	91.6	Very high	88.7	Confident	68 Å²	68	65.8 Å²	65.8	36%	0.364	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-61.3	-19.6	175.7	-84.3	-49.8	0	0	0	114.5	F76 F78 K86	F76-D80 WeakPolarHBondContact CA-OD2 3.42Å; F76-D80 PolarHBondContact N-OD2 3.45Å; F76-D80 PolarHBondContact O-N 3.34Å; F78-D80 PolarHBondContact O-N 3.18Å; F78-D80 VanDerWaalsContact O-N 3.08Å; D80-K86 VanDerWaalsContact CA-NZ 3.3Å; D80-K86 PolarHBondContact O-NZ 3.01Å; D80-K86 IonicContact OD1-NZ 3.96Å; D80-K86 PolarHBondContact OD1-NZ 3.01Å
81	T	93.1	Very high	89.1	Confident	97 Å²	97	64.1 Å²	64.1	60%	0.595	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-99.3	-1.2	176.2	68.8	0	0	0	0	114	F78 W79	F78-T81 WeakPolarHBondContact O-CB 3.44Å; F78-T81 PolarHBondContact O-N 2.93Å; F78-T81 PolarHBondContact O-OG1 3.37Å; W79-T81 PolarHBondContact O-N 3.42Å; W79-T81 VanDerWaalsContact O-N 3.09Å
82	Q	95.5	Very high	89.5	Confident	26 Å²	26	69.2 Å²	69.2	12%	0.121	35%	0.353	C	S	.	.	S	Bend	trans	-100	155.2	-173.2	-58.6	-55.6	-82.9	0	0	111.2	F78 W79 V84 Y439	F78-Q82 HydrophobicContact CD2-CG 4.49Å; F78-Q82 HydrophobicContact CE1-CG 4.02Å; F78-Q82 HydrophobicContact CE2-CG 4.01Å; F78-Q82 HydrophobicContact CZ-CG 3.75Å; W79-Q82 HydrophobicContact CE3-CB 4.2Å; W79-Q82 HydrophobicContact CE3-CG 4.11Å; W79-Q82 PolarHBondContact O-N 2.8Å; Q82-V84 HydrophobicContact CB-CG2 4.27Å; Q82-V84 PolarHBondContact O-N 2.88Å; Q82-Y439 HydrophobicContact CB-CE2 4.27Å
83	P	95.6	Very high	90	Very high	12 Å²	12	68.2 Å²	68.2	8%	0.078	35%	0.352	C	S	.	.	S	Bend	trans	-75.9	74	173.4	34	-36.9	0	0	0	110.6	L97 Q98 Y439 N440	P83-L97 HydrophobicContact CB-CB 4.02Å; P83-L97 WeakPolarHBondContact O-CD1 3.26Å; P83-Q98 HydrophobicContact CB-CG 4.04Å; P83-Y439 WeakPolarHBondContact CD-OH 3.25Å; P83-Y439 HydrophobicContact CG-CD1 4.44Å; P83-Y439 HydrophobicContact CG-CE1 3.79Å; P83-Y439 HydrophobicContact CG-CE2 3.92Å; P83-Y439 VanDerWaalsContact CG-CZ 3.48Å; P83-N440 HydrophobicContact CB-CB 4.17Å; P83-N440 HydrophobicContact CG-CB 3.95Å; P83-N440 VanDerWaalsContact O-CA 3.25Å; P83-N440 WeakPolarHBondContact O-CA 3.35Å; P83-N440 PolarHBondContact O-N 3.08Å
84	V	95.1	Very high	90.6	Very high	8 Å²	8	62.2 Å²	62.2	5%	0.048	33%	0.328	C	S	.	.	S	Bend	trans	-136.2	150.5	173	-66.1	0	0	0	0	109.7	W79 Q82 P249 Y439	W79-V84 HydrophobicContact CE3-CG1 4.34Å; W79-V84 HydrophobicContact CE3-CG2 4.21Å; W79-V84 HydrophobicContact CZ3-CG1 4.37Å; Q82-V84 HydrophobicContact CB-CG2 4.27Å; Q82-V84 PolarHBondContact O-N 2.88Å; V84-P249 VanDerWaalsContact CG2-O 3.25Å; V84-P249 WeakPolarHBondContact CG2-O 3.4Å; V84-Y439 HydrophobicContact CG1-CD2 4.29Å
85	P	93.5	Very high	91.2	Very high	9 Å²	9	61 Å²	61	6%	0.058	32%	0.324	C	S	.	.			trans	-64.8	151.9	-180	-19	32	0	0	0	112.7	E89 V91 L97 P249 R250 K442	P85-E89 VanDerWaalsContact CA-OE2 3.25Å; P85-E89 WeakPolarHBondContact CA-OE2 3.43Å; P85-V91 HydrophobicContact CB-CG2 4.15Å; P85-V91 HydrophobicContact CG-CG2 4.42Å; P85-L97 HydrophobicContact CG-CD1 4.19Å; P85-P249 CarbonylContact O-C 3.36Å; P85-R250 HydrophobicContact CB-CB 4.34Å; P85-R250 PolarHBondContact O-N 3.43Å; P85-K442 HydrophobicContact CG-CB 3.92Å
86	K	91.6	Very high	91.8	Very high	78 Å²	78	58.4 Å²	58.4	34%	0.339	31%	0.305	S	S	.	.			trans	-78.3	158.2	170.3	-53.1	-56.6	-173.2	177.7	0	111.3	D80 D88 E89	D80-K86 VanDerWaalsContact CA-NZ 3.3Å; D80-K86 PolarHBondContact O-NZ 3.01Å; D80-K86 IonicContact OD1-NZ 3.96Å; D80-K86 PolarHBondContact OD1-NZ 3.01Å; K86-D88 PolarHBondContact O-N 3.32Å; K86-E89 HydrophobicContact CB-CB 4.09Å; K86-E89 PolarHBondContact N-OE2 3.24Å; K86-E89 WeakPolarHBondContact O-CB 3.38Å; K86-E89 PolarHBondContact O-N 2.84Å; K86-E89 VanDerWaalsContact O-N 3.16Å
87	F	88.8	Confident	92.1	Very high	15 Å²	15	59.3 Å²	59.3	7%	0.066	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.2	179.3	-77.5	-64.3	0	0	0	114.4	W68 A71 R72 F76 V247 L248 P249 R250	W68-F87 HydrophobicContact CE3-CD1 4.35Å; W68-F87 HydrophobicContact CZ3-CD1 4.18Å; A71-F87 HydrophobicContact CB-CE1 4.47Å; A71-F87 HydrophobicContact CB-CE2 4.42Å; A71-F87 HydrophobicContact CB-CZ 3.89Å; R72-F87 HydrophobicContact CG-CB 4.02Å; R72-F87 HydrophobicContact CG-CD1 4.47Å; R72-F87 HydrophobicContact CG-CD2 4.44Å; R72-F87 HydrophobicContact CG-CG 4.09Å; R72-F87 PolarHBondContact NH2-O 3.31Å; F76-F87 HydrophobicContact CD2-CE2 4.03Å; F76-F87 AromaticContact CE2-CE2 3.57Å; F76-F87 HydrophobicContact CE2-CE2 3.57Å; F76-F87 HydrophobicContact CE2-CZ 4.13Å; F76-F87 HydrophobicContact CZ-CE2 4.29Å; F76-F87 HydrophobicContact CZ-CZ 4.41Å; F87-V247 HydrophobicContact CE1-CG1 3.71Å; F87-V247 HydrophobicContact CZ-CG1 3.98Å; F87-L248 WeakPolarHBondContact CE1-O 3.44Å; F87-L248 WeakPolarHBondContact CZ-O 3.45Å; F87-P249 HydrophobicContact CD2-CB 4.1Å; F87-P249 HydrophobicContact CD2-CG 4.22Å; F87-P249 HydrophobicContact CE2-CB 3.9Å; F87-P249 HydrophobicContact CE2-CG 3.65Å; F87-P249 HydrophobicContact CZ-CB 4.22Å; F87-P249 HydrophobicContact CZ-CG 4.12Å; F87-R250 HydrophobicContact CD1-CG 4.31Å; F87-R250 PolarHBondContact O-NH1 2.86Å
88	D	85.3	Confident	92.4	Very high	125 Å²	125	57 Å²	57	67%	0.668	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	9.6	-176.4	-45.2	-53.3	0	0	0	111.4	R72 K86	R72-D88 IonicContact CZ-OD1 2.7Å; R72-D88 IonicContact NE-OD1 2.79Å; R72-D88 PolarHBondContact NE-OD1 2.96Å; R72-D88 IonicContact NH2-OD1 3.74Å; K86-D88 PolarHBondContact O-N 3.32Å
89	E	88.1	Confident	92.4	Very high	57 Å²	57	60.3 Å²	60.3	27%	0.266	33%	0.33	S	S	.	.			trans	-75.1	125.7	171.8	-169.7	176.5	154.4	0	0	109.9	P85 K86 V91 R250	P85-E89 VanDerWaalsContact CA-OE2 3.25Å; P85-E89 WeakPolarHBondContact CA-OE2 3.43Å; K86-E89 HydrophobicContact CB-CB 4.09Å; K86-E89 PolarHBondContact N-OE2 3.24Å; K86-E89 WeakPolarHBondContact O-CB 3.38Å; K86-E89 PolarHBondContact O-N 2.84Å; K86-E89 VanDerWaalsContact O-N 3.16Å; E89-V91 HydrophobicContact CG-CG2 4.06Å; E89-R250 PolarHBondContact O-NH1 3.47Å
90	V	88.2	Confident	92.6	Very high	135 Å²	135	63 Å²	63	82%	0.818	35%	0.347	S	S	*	.			trans	-86.7	110.4	172.1	179.7	0	0	0	0	108
91	V	90.5	Very high	92.7	Very high	22 Å²	22	64 Å²	64	13%	0.133	35%	0.348	C	S	.	.			trans	-102.9	111.8	-179.4	-176.5	0	0	0	0	110	P85 E89 K93 K442 C443	P85-V91 HydrophobicContact CB-CG2 4.15Å; P85-V91 HydrophobicContact CG-CG2 4.42Å; E89-V91 HydrophobicContact CG-CG2 4.06Å; V91-K93 VanDerWaalsContact CG1-O 3.32Å; V91-K93 WeakPolarHBondContact CG1-O 3.46Å; V91-K442 HydrophobicContact CG1-CB 3.77Å; V91-K442 HydrophobicContact CG1-CD 4.14Å; V91-K442 HydrophobicContact CG1-CG 4.01Å; V91-K442 HydrophobicContact CG2-CB 4.27Å; V91-C443 WeakPolarHBondContact CG1-O 3.34Å
92	D	91	Very high	92.7	Very high	111 Å²	111	66.4 Å²	66.4	59%	0.594	35%	0.352	S	S	*	.			trans	-97.8	-20.9	179	66.8	-31.3	0	0	0	113.4
93	K	92.1	Very high	92.6	Very high	107 Å²	107	70.7 Å²	70.7	47%	0.465	37%	0.37	S	S	.	.			trans	-119.1	148.4	-171.6	-70	162.4	-168.8	171.9	0	112.8	V91 E95 K442 C443	V91-K93 VanDerWaalsContact CG1-O 3.32Å; V91-K93 WeakPolarHBondContact CG1-O 3.46Å; K93-E95 HydrophobicContact CB-CG 4.07Å; K93-K442 CarbonylContact O-C 3.57Å; K93-K442 VanDerWaalsContact O-O 3.1Å; K93-C443 WeakPolarHBondContact O-CA 3.27Å
94	S	94.6	Very high	92.5	Very high	37 Å²	37	77.3 Å²	77.3	26%	0.259	40%	0.4	S	S	.	.			trans	-99.1	93.9	171.5	-164.8	0	0	0	0	109.3	W441 K442	S94-W441 VanDerWaalsContact O-CZ2 3.24Å; S94-W441 WeakPolarHBondContact O-CZ2 3.49Å; S94-W441 WeakPolarHBondContact OG-CZ2 3.48Å; S94-W441 PolarHBondContact OG-NE1 3.38Å; S94-K442 CarbonylContact C-O 3.59Å; S94-K442 VanDerWaalsContact CA-O 3.29Å; S94-K442 WeakPolarHBondContact CA-O 3.49Å
95	E	95	Very high	92.5	Very high	68 Å²	68	80.5 Å²	80.5	32%	0.318	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	164	-173.4	64.2	-173.2	-175.1	0	0	112.6	K93 K442	K93-E95 HydrophobicContact CB-CG 4.07Å; E95-K442 HydrophobicContact CG-CD 4.41Å; E95-K442 HydrophobicContact CG-CG 4.19Å; E95-K442 PolarHBondContact N-O 3.29Å; E95-K442 WeakPolarHBondContact O-CG 3.18Å; E95-K442 PolarHBondContact O-N 3.1Å; E95-K442 WeakPolarHBondContact OE1-CE 3.24Å; E95-K442 IonicContact OE1-NZ 3.5Å; E95-K442 PolarHBondContact OE1-NZ 3.38Å
96	P	95.6	Very high	92.6	Very high	43 Å²	43	80.8 Å²	80.8	28%	0.279	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	153.7	173.9	-18.9	30.8	0	0	0	112.9	Q98 N440 W441	P96-Q98 WeakPolarHBondContact CB-O 3.35Å; P96-N440 WeakPolarHBondContact CA-O 3.34Å; P96-W441 HydrophobicContact CB-CE3 4.49Å; P96-W441 HydrophobicContact CB-CZ3 4.49Å; P96-W441 VanDerWaalsContact CD-CZ3 3.41Å; P96-W441 HydrophobicContact CG-CE3 4.08Å; P96-W441 HydrophobicContact CG-CZ3 3.63Å
97	L	94.5	Very high	92.8	Very high	54 Å²	54	82.4 Å²	82.4	28%	0.283	43%	0.432	S	S	.	.	S	Bend	trans	-91.3	-28.3	173.1	-82.1	161.8	0	0	0	113	P83 P85 N440 K442	P83-L97 HydrophobicContact CB-CB 4.02Å; P83-L97 WeakPolarHBondContact O-CD1 3.26Å; P85-L97 HydrophobicContact CG-CD1 4.19Å; L97-N440 PolarHBondContact N-O 3Å; L97-N440 PolarHBondContact N-OD1 2.89Å; L97-K442 HydrophobicContact CD1-CB 4.1Å; L97-K442 HydrophobicContact CD2-CB 4.06Å; L97-K442 HydrophobicContact CD2-CD 3.81Å; L97-K442 HydrophobicContact CD2-CG 4.09Å; L97-K442 HydrophobicContact CG-CB 3.94Å; L97-K442 HydrophobicContact CG-CD 4.37Å; L97-K442 HydrophobicContact CG-CG 4.1Å
98	Q	94.9	Very high	93.2	Very high	81 Å²	81	86.4 Å²	86.4	38%	0.379	45%	0.451	S	S	.	.	S	Bend	trans	-131.1	146.1	168.6	-66.2	-176.3	18.3	0	0	108.7	P83 P96 N440	P83-Q98 HydrophobicContact CB-CG 4.04Å; P96-Q98 WeakPolarHBondContact CB-O 3.35Å; Q98-N440 PolarHBondContact N-OD1 2.89Å; Q98-N440 PolarHBondContact O-ND2 2.83Å; Q98-N440 PolarHBondContact O-OD1 2.88Å
99	A	94.4	Very high	93.7	Very high	81 Å²	81	86.8 Å²	86.8	67%	0.669	45%	0.449	S	S	*	.			trans	-61.8	147	168.8	0	0	0	0	0	111
100	D	95.3	Very high	94.1	Very high	90 Å²	90	86.3 Å²	86.3	48%	0.481	45%	0.451	S	S	.	.			trans	-59	153.2	171.5	-59.6	-15.7	0	0	0	110	F238 Q239	D100-F238 HydrophobicContact CB-CD2 3.47Å; D100-F238 VanDerWaalsContact CB-CD2 3.47Å; D100-F238 HydrophobicContact CB-CE2 3.77Å; D100-F238 HydrophobicContact CB-CG 3.91Å; D100-F238 HydrophobicContact CB-CZ 4.43Å; D100-F238 VanDerWaalsContact CG-CD2 3.42Å; D100-F238 WeakPolarHBondContact OD1-CB 3.46Å; D100-F238 WeakPolarHBondContact OD1-CG 3.47Å; D100-Q239 PolarHBondContact OD1-NE2 2.64Å
101	K	93.8	Very high	94.5	Very high	88 Å²	88	83.4 Å²	83.4	38%	0.383	43%	0.426	S	S	.	.			trans	-124.3	135.4	-170	-66.1	175.2	-169.4	171.3	0	111	I106 F238	K101-I106 HydrophobicContact CB-CG1 4.3Å; K101-F238 HydrophobicContact CB-CE1 4.13Å; K101-F238 WeakPolarHBondContact O-CZ 3.39Å
102	E	93.7	Very high	94.7	Very high	148 Å²	148	87 Å²	87	69%	0.692	45%	0.452	S	S	*	.			trans	-56.6	150.4	172.1	-60.9	-55.2	155.7	0	0	111.4	E104 A105	E102-E104 PolarHBondContact O-N 3.49Å; E102-E104 VanDerWaalsContact O-N 3.13Å; E102-A105 WeakPolarHBondContact O-CB 3.16Å; E102-A105 PolarHBondContact O-N 3.08Å
103	K	92.4	Very high	94.9	Very high	115 Å²	115	83.1 Å²	83.1	50%	0.5	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-58.6	-34.4	-170.1	-170.5	174.2	-178.8	179.3	0	112.4	A105 I106 Q108 L234	K103-A105 VanDerWaalsContact C-N 3.32Å; K103-I106 PolarHBondContact O-N 2.93Å; K103-Q108 PolarHBondContact O-NE2 3.06Å; K103-L234 HydrophobicContact CG-CD2 4.16Å
104	E	93.9	Very high	94.8	Very high	152 Å²	152	81.3 Å²	81.3	71%	0.71	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-71.8	-26.1	-179.1	-62.9	62.5	-135.6	0	0	112	E102 I106	E102-E104 PolarHBondContact O-N 3.49Å; E102-E104 VanDerWaalsContact O-N 3.13Å; E104-I106 VanDerWaalsContact C-N 3.29Å
105	A	95.2	Very high	94.7	Very high	75 Å²	75	87.4 Å²	87.4	62%	0.62	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-82.9	-5.1	175.2	0	0	0	0	0	113	E102 K103	E102-A105 WeakPolarHBondContact O-CB 3.16Å; E102-A105 PolarHBondContact O-N 3.08Å; K103-A105 VanDerWaalsContact C-N 3.32Å
106	I	95.8	Very high	94.6	Very high	14 Å²	14	86 Å²	86	7%	0.072	46%	0.464	C	S	.	.	S	Bend	trans	-92.9	144.1	174	-63.8	151.8	0	0	0	109.5	K101 K103 E104 Q108 R230 H233 L234 F238	K101-I106 HydrophobicContact CB-CG1 4.3Å; K103-I106 PolarHBondContact O-N 2.93Å; E104-I106 VanDerWaalsContact C-N 3.29Å; I106-Q108 PolarHBondContact O-N 3.48Å; I106-Q108 VanDerWaalsContact O-N 3.13Å; I106-Q108 PolarHBondContact O-NE2 2.82Å; I106-R230 HydrophobicContact CG2-CG 4.4Å; I106-H233 HydrophobicContact CD1-CB 3.8Å; I106-H233 WeakPolarHBondContact CD1-O 3.37Å; I106-H233 HydrophobicContact CG1-CB 4.12Å; I106-H233 HydrophobicContact CG2-CB 4.12Å; I106-L234 HydrophobicContact CB-CD2 4.07Å; I106-L234 HydrophobicContact CG2-CD2 3.7Å; I106-L234 HydrophobicContact CG2-CG 3.77Å; I106-F238 HydrophobicContact CD1-CE1 3.95Å; I106-F238 HydrophobicContact CD1-CZ 3.99Å
107	R	96.4	Very high	94.7	Very high	113 Å²	113	86.5 Å²	86.5	43%	0.426	46%	0.462	S	S	.	.			trans	-65	111.3	179.5	-174.9	-166.1	166.3	104.1	-1.9	110.2	E109 P110 R230	R107-E109 VanDerWaalsContact CD-O 3.26Å; R107-E109 WeakPolarHBondContact CD-O 3.36Å; R107-E109 VanDerWaalsContact CG-O 3.28Å; R107-E109 WeakPolarHBondContact CG-O 3.45Å; R107-E109 PolarHBondContact NE-O 3.43Å; R107-P110 PolarHBondContact NE-O 3.46Å; R107-P110 PolarHBondContact NH2-O 2.85Å; R107-R230 HydrophobicContact CB-CG 4.32Å; R107-R230 VanDerWaalsContact O-CD 3.27Å; R107-R230 WeakPolarHBondContact O-CD 3.46Å; R107-R230 WeakPolarHBondContact O-CG 3.2Å; R107-R230 PolarHBondContact O-NH1 3.45Å
108	Q	96.3	Very high	94.8	Very high	99 Å²	99	86.3 Å²	86.3	46%	0.463	46%	0.46	S	S	.	.			trans	-68.8	-37.7	179.7	-55.7	-54.4	-56	0	0	112.7	K103 I106 R230	K103-Q108 PolarHBondContact O-NE2 3.06Å; I106-Q108 PolarHBondContact O-N 3.48Å; I106-Q108 VanDerWaalsContact O-N 3.13Å; I106-Q108 PolarHBondContact O-NE2 2.82Å; Q108-R230 VanDerWaalsContact C-NH1 3.25Å; Q108-R230 PolarHBondContact O-NH1 2.65Å
109	E	96.1	Very high	94.9	Very high	132 Å²	132	84.8 Å²	84.8	62%	0.617	45%	0.45	S	S	*	.	S	Bend	trans	-79.1	145.3	177.6	-66.1	-52.1	131.5	0	0	113.2	R107 R230	R107-E109 VanDerWaalsContact CD-O 3.26Å; R107-E109 WeakPolarHBondContact CD-O 3.36Å; R107-E109 VanDerWaalsContact CG-O 3.28Å; R107-E109 WeakPolarHBondContact CG-O 3.45Å; R107-E109 PolarHBondContact NE-O 3.43Å; E109-R230 WeakPolarHBondContact O-CD 3.48Å; E109-R230 PolarHBondContact O-NE 2.94Å; E109-R230 PolarHBondContact O-NH1 3.28Å
110	P	97.1	Very high	95	Very high	48 Å²	48	81.8 Å²	81.8	31%	0.312	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-51.8	152.3	170.6	-25.5	34.6	0	0	0	113.3	R107 E227	R107-P110 PolarHBondContact NE-O 3.46Å; R107-P110 PolarHBondContact NH2-O 2.85Å; P110-E227 WeakPolarHBondContact CA-OE2 3.36Å
111	Y	96.6	Very high	95.1	Very high	74 Å²	74	81.2 Å²	81.2	29%	0.29	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-64.4	146.2	166.9	-82	-79.2	0	0	0	110.9	W119 R226 E227 R230	Y111-W119 PolarHBondContact O-NE1 3.47Å; Y111-R226 HydrophobicContact CD2-CB 3.82Å; Y111-R226 HydrophobicContact CE2-CB 3.75Å; Y111-R226 WeakPolarHBondContact CE2-O 3.42Å; Y111-R226 HydrophobicContact CG-CB 4.28Å; Y111-E227 PolarHBondContact N-OE2 2.89Å; Y111-R230 HydrophobicContact CD2-CB 4.32Å; Y111-R230 HydrophobicContact CE2-CB 4Å; Y111-R230 HydrophobicContact CE2-CG 4.28Å
112	S	95	Very high	95.1	Very high	97 Å²	97	77.1 Å²	77.1	68%	0.678	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-69.1	133.8	177	38.3	0	0	0	0	111.7
113	L	94.3	Very high	95.2	Very high	29 Å²	29	73.3 Å²	73.3	15%	0.152	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-91.8	164	165	-73	166.7	0	0	0	109.8	F117 W119 V175 M220 V223	L113-F117 HydrophobicContact CB-CB 4.13Å; L113-F117 HydrophobicContact CD1-CB 4.23Å; L113-W119 HydrophobicContact CD1-CD2 3.67Å; L113-W119 HydrophobicContact CD1-CE3 4.2Å; L113-W119 HydrophobicContact CD1-CG 3.85Å; L113-W119 HydrophobicContact CD1-CZ2 4.25Å; L113-W119 HydrophobicContact CD2-CH2 4Å; L113-W119 HydrophobicContact CD2-CZ2 3.86Å; L113-W119 HydrophobicContact CD2-CZ3 4.42Å; L113-W119 HydrophobicContact CG-CD2 4.17Å; L113-W119 HydrophobicContact CG-CH2 4.4Å; L113-W119 HydrophobicContact CG-CZ2 3.81Å; L113-V175 HydrophobicContact CD1-CG1 4.21Å; L113-V175 HydrophobicContact CD1-CG2 4.28Å; L113-V175 HydrophobicContact CD2-CG1 4.19Å; L113-V175 HydrophobicContact CD2-CG2 3.95Å; L113-M220 HydrophobicContact CD2-SD 4.05Å; L113-V223 HydrophobicContact CD2-CG1 4.03Å
114	P	90.2	Very high	95.2	Very high	70 Å²	70	67.9 Å²	67.9	46%	0.455	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-66.2	157	167.1	-13.9	29.3	0	0	0	111.5	F117	P114-F117 HydrophobicContact CB-CD2 4.04Å; P114-F117 HydrophobicContact CB-CE2 4.38Å; P114-F117 HydrophobicContact CG-CD2 4.29Å; P114-F117 WeakPolarHBondContact O-CD2 3.16Å; P114-F117 PolarHBondContact O-N 3.03Å
115	D	91.7	Very high	95.1	Very high	164 Å²	164	65.8 Å²	65.8	88%	0.877	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	139.6	-179.6	-62.4	-43	0	0	0	112.8	F117	D115-F117 VanDerWaalsContact C-N 3.33Å
116	G	94.2	Very high	95.1	Very high	40 Å²	40	65 Å²	65	41%	0.412	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	5.3	-176.7	0	0	0	0	0	115.1	V177 S178	G116-V177 CarbonylContact O-C 3.59Å; G116-V177 WeakPolarHBondContact O-CA 3.24Å; G116-S178 PolarHBondContact O-N 2.95Å
117	F	96.4	Very high	95.1	Very high	52 Å²	52	69.5 Å²	69.5	23%	0.228	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	150	166.9	-59.3	-81.8	0	0	0	111.6	L113 P114 D115 V175 R176 V177 V184 L215 M220	L113-F117 HydrophobicContact CB-CB 4.13Å; L113-F117 HydrophobicContact CD1-CB 4.23Å; P114-F117 HydrophobicContact CB-CD2 4.04Å; P114-F117 HydrophobicContact CB-CE2 4.38Å; P114-F117 HydrophobicContact CG-CD2 4.29Å; P114-F117 WeakPolarHBondContact O-CD2 3.16Å; P114-F117 PolarHBondContact O-N 3.03Å; D115-F117 VanDerWaalsContact C-N 3.33Å; F117-V175 HydrophobicContact CB-CG1 4.05Å; F117-V175 HydrophobicContact CD1-CG1 4.07Å; F117-V175 HydrophobicContact CG-CG1 4.39Å; F117-R176 CarbonylContact C-O 3.56Å; F117-R176 VanDerWaalsContact CA-O 3.28Å; F117-R176 WeakPolarHBondContact CA-O 3.44Å; F117-V177 HydrophobicContact CD1-CG2 4.09Å; F117-V177 HydrophobicContact CE1-CG2 3.79Å; F117-V184 HydrophobicContact CD1-CG2 4.05Å; F117-V184 HydrophobicContact CE1-CG2 3.99Å; F117-L215 HydrophobicContact CE1-CD1 3.58Å; F117-L215 HydrophobicContact CE1-CD2 4.43Å; F117-L215 HydrophobicContact CZ-CD1 3.93Å; F117-L215 HydrophobicContact CZ-CD2 4Å; F117-M220 HydrophobicContact CD1-CE 4Å; F117-M220 HydrophobicContact CD2-CE 4.34Å; F117-M220 HydrophobicContact CE1-CE 4Å; F117-M220 HydrophobicContact CE2-CE 4.33Å; F117-M220 HydrophobicContact CG-CE 4.18Å; F117-M220 HydrophobicContact CZ-CE 4.17Å
118	E	97.1	Very high	95	Very high	51 Å²	51	69.2 Å²	69.2	24%	0.238	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.2	177.8	62.7	-168.5	-143.2	0	0	111.3	V175 R176 S178 K181	E118-V175 WeakPolarHBondContact O-CA 3.47Å; E118-R176 HydrophobicContact CG-CB 3.87Å; E118-R176 PolarHBondContact N-O 2.79Å; E118-R176 PolarHBondContact O-N 2.73Å; E118-S178 WeakPolarHBondContact OE2-CA 3.44Å; E118-S178 WeakPolarHBondContact OE2-CB 3.35Å; E118-S178 PolarHBondContact OE2-OG 3.35Å; E118-K181 WeakPolarHBondContact OE1-CD 3.05Å; E118-K181 WeakPolarHBondContact OE1-CE 3.44Å; E118-K181 IonicContact OE1-NZ 3.43Å; E118-K181 PolarHBondContact OE1-NZ 2.81Å; E118-K181 IonicContact OE2-NZ 2.66Å; E118-K181 PolarHBondContact OE2-NZ 3.07Å
119	W	97.7	Very high	95	Very high	48 Å²	48	66.4 Å²	66.4	18%	0.182	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	145.8	169.4	-65.3	114.4	0	0	0	110.3	Y111 L113 I173 V175 V223 L224 E227	Y111-W119 PolarHBondContact O-NE1 3.47Å; L113-W119 HydrophobicContact CD1-CD2 3.67Å; L113-W119 HydrophobicContact CD1-CE3 4.2Å; L113-W119 HydrophobicContact CD1-CG 3.85Å; L113-W119 HydrophobicContact CD1-CZ2 4.25Å; L113-W119 HydrophobicContact CD2-CH2 4Å; L113-W119 HydrophobicContact CD2-CZ2 3.86Å; L113-W119 HydrophobicContact CD2-CZ3 4.42Å; L113-W119 HydrophobicContact CG-CD2 4.17Å; L113-W119 HydrophobicContact CG-CH2 4.4Å; L113-W119 HydrophobicContact CG-CZ2 3.81Å; W119-I173 HydrophobicContact CE3-CG2 3.53Å; W119-I173 HydrophobicContact CZ3-CG2 3.67Å; W119-V175 HydrophobicContact CE3-CG2 3.67Å; W119-V175 HydrophobicContact CH2-CG2 4.31Å; W119-V175 HydrophobicContact CZ3-CG2 3.49Å; W119-V175 VanDerWaalsContact CZ3-CG2 3.49Å; W119-V223 HydrophobicContact CH2-CG1 3.96Å; W119-V223 HydrophobicContact CZ2-CG1 3.88Å; W119-L224 HydrophobicContact CZ3-CD2 4.06Å; W119-E227 HydrophobicContact CD2-CG 4.2Å; W119-E227 HydrophobicContact CE3-CG 4.17Å; W119-E227 HydrophobicContact CH2-CB 3.4Å; W119-E227 HydrophobicContact CH2-CG 3.72Å; W119-E227 HydrophobicContact CZ2-CB 3.66Å; W119-E227 HydrophobicContact CZ2-CG 3.75Å; W119-E227 HydrophobicContact CZ3-CB 3.97Å; W119-E227 HydrophobicContact CZ3-CG 3.93Å
120	S	96.1	Very high	95	Very high	18 Å²	18	60.1 Å²	60.1	13%	0.126	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	121.6	172	-177.8	0	0	0	0	108.7	G174 R176	S120-G174 PolarHBondContact N-O 2.97Å; S120-G174 WeakPolarHBondContact O-CA 3.44Å; S120-G174 PolarHBondContact O-N 3.34Å; S120-R176 PolarHBondContact OG-NE 3.18Å
121	D	96.1	Very high	95	Very high	78 Å²	78	63.2 Å²	63.2	42%	0.417	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	128.4	168.1	-71	33.1	0	0	0	107.2	D123 Q129 R231	D121-D123 PolarHBondContact O-N 2.68Å; D121-Q129 PolarHBondContact O-OE1 2.79Å; D121-R231 IonicContact OD1-CZ 3.76Å; D121-R231 VanDerWaalsContact OD1-CZ 3.25Å; D121-R231 IonicContact OD1-NH1 2.76Å; D121-R231 PolarHBondContact OD1-NH1 3.27Å; D121-R231 IonicContact OD1-NH2 3.16Å; D121-R231 PolarHBondContact OD1-NH2 3.08Å; D121-R231 IonicContact OD2-CZ 3.96Å; D121-R231 IonicContact OD2-NH1 3.56Å; D121-R231 PolarHBondContact OD2-NH1 2.96Å; D121-R231 IonicContact OD2-NH2 3.05Å
122	V	95.9	Very high	94.9	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.012	33%	0.333	C	S	.	.			trans	-89.6	105.9	-175.8	176.2	0	0	0	0	109	T124 Q129 T133 F172 M183 F186	V122-T124 PolarHBondContact O-N 3.38Å; V122-Q129 HydrophobicContact CG1-CB 4.39Å; V122-T133 WeakPolarHBondContact CG1-OG1 3.22Å; V122-F172 HydrophobicContact CB-CB 3.99Å; V122-F172 PolarHBondContact N-O 2.98Å; V122-M183 HydrophobicContact CG2-CE 3.83Å; V122-F186 HydrophobicContact CB-CE2 4.04Å; V122-F186 HydrophobicContact CG1-CE2 4.44Å; V122-F186 HydrophobicContact CG2-CD2 3.94Å; V122-F186 HydrophobicContact CG2-CE2 3.7Å
123	D	95.1	Very high	95	Very high	69 Å²	69	57.6 Å²	57.6	37%	0.369	30%	0.301	S	S	.	.			trans	-68.4	122.2	170.5	-179.1	5	0	0	0	109.7	D121 D125 N126 Q129	D121-D123 PolarHBondContact O-N 2.68Å; D123-D125 PolarHBondContact OD1-N 3.16Å; D123-N126 HydrophobicContact CB-CB 3.86Å; D123-N126 WeakPolarHBondContact OD2-CB 3.46Å; D123-Q129 VanDerWaalsContact N-OE1 3.13Å
124	T	92.8	Very high	95	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	31%	0.305	C	S	.	.	S	Bend	trans	-91	-8.8	-176.7	49.5	0	0	0	0	113.4	V122 M130 L162 R163 F172	V122-T124 PolarHBondContact O-N 3.38Å; T124-M130 HydrophobicContact CG2-SD 3.67Å; T124-L162 HydrophobicContact CG2-CB 4.43Å; T124-L162 HydrophobicContact CG2-CD1 4.16Å; T124-R163 VanDerWaalsContact C-NH2 3.32Å; T124-R163 VanDerWaalsContact CB-NE 3.28Å; T124-R163 VanDerWaalsContact OG1-CZ 3.3Å; T124-R163 PolarHBondContact OG1-NE 2.83Å; T124-R163 PolarHBondContact OG1-NH2 2.9Å; T124-F172 HydrophobicContact CG2-CD2 3.48Å; T124-F172 VanDerWaalsContact CG2-CD2 3.48Å; T124-F172 HydrophobicContact CG2-CE2 3.68Å; T124-F172 HydrophobicContact CG2-CG 4.32Å
125	D	91.7	Very high	95.2	Very high	108 Å²	108	60 Å²	60	58%	0.578	30%	0.302	S	S	*	.	S	Bend	trans	-82.2	-19.5	165.2	-74.8	-58.7	0	0	0	111.6	D123 D127 R163	D123-D125 PolarHBondContact OD1-N 3.16Å; D125-D127 PolarHBondContact O-N 3.33Å; D125-R163 VanDerWaalsContact N-NH2 3.17Å; D125-R163 IonicContact OD1-CZ 3.72Å; D125-R163 IonicContact OD1-NH1 2.85Å; D125-R163 PolarHBondContact OD1-NH1 3Å; D125-R163 IonicContact OD1-NH2 3.76Å; D125-R163 PolarHBondContact OD1-NH2 2.84Å; D125-R163 IonicContact OD2-CZ 3.19Å; D125-R163 IonicContact OD2-NH1 3.79Å; D125-R163 IonicContact OD2-NH2 3.73Å; D125-R163 PolarHBondContact OD2-NH2 3.33Å
126	N	94.9	Very high	95.4	Very high	58 Å²	58	52.4 Å²	52.4	31%	0.31	26%	0.261	S	S	.	.			trans	-84.4	106.2	-177.4	-169.6	-55.2	0	0	0	112.1	D123 Q128 Q129 M130	D123-N126 HydrophobicContact CB-CB 3.86Å; D123-N126 WeakPolarHBondContact OD2-CB 3.46Å; N126-Q128 VanDerWaalsContact C-N 3.27Å; N126-Q128 PolarHBondContact O-N 3.25Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.38Å; N126-Q128 PolarHBondContact OD1-N 3.18Å; N126-Q129 HydrophobicContact CB-CB 4.1Å; N126-Q129 HydrophobicContact CB-CG 4.09Å; N126-Q129 PolarHBondContact ND2-NE2 3.24Å; N126-Q129 PolarHBondContact O-N 2.99Å; N126-Q129 VanDerWaalsContact O-N 3.14Å; N126-Q129 PolarHBondContact OD1-N 2.81Å; N126-Q129 VanDerWaalsContact OD1-N 3.12Å; N126-M130 PolarHBondContact O-N 3.21Å
127	D	95.1	Very high	95.3	Very high	108 Å²	108	50.6 Å²	50.6	58%	0.578	24%	0.242	S	C	*	.	H	α-helix	trans	-47.9	-45	178.1	-76.6	-40.6	0	0	0	113.4	D125 M130 Y131 R159	D125-D127 PolarHBondContact O-N 3.33Å; D127-M130 PolarHBondContact O-N 2.87Å; D127-Y131 VanDerWaalsContact O-CB 3.31Å; D127-Y131 WeakPolarHBondContact O-CB 3.28Å; D127-Y131 PolarHBondContact O-N 3.05Å; D127-R159 IonicContact OD1-CZ 2.88Å; D127-R159 IonicContact OD1-NH1 3.6Å; D127-R159 PolarHBondContact OD1-NH1 3.41Å; D127-R159 IonicContact OD1-NH2 3.75Å; D127-R159 PolarHBondContact OD1-NH2 3.47Å
128	Q	95.7	Very high	94.9	Very high	108 Å²	108	49.3 Å²	49.3	51%	0.505	24%	0.239	S	C	.	.	H	α-helix	trans	-68.3	-41.5	-177.3	175.7	60.7	30	0	0	111.7	N126 Y131 E132	N126-Q128 VanDerWaalsContact C-N 3.27Å; N126-Q128 PolarHBondContact O-N 3.25Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.38Å; N126-Q128 PolarHBondContact OD1-N 3.18Å; Q128-Y131 PolarHBondContact O-N 2.87Å; Q128-E132 PolarHBondContact NE2-OE1 3.43Å; Q128-E132 WeakPolarHBondContact O-CG 3.26Å; Q128-E132 PolarHBondContact O-N 2.9Å
129	Q	95.6	Very high	94.5	Very high	39 Å²	39	50 Å²	50	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-69.5	-38.7	177	-65	-171.5	55.2	0	0	111.8	D121 V122 D123 N126 E132 T133	D121-Q129 PolarHBondContact O-OE1 2.79Å; V122-Q129 HydrophobicContact CG1-CB 4.39Å; D123-Q129 VanDerWaalsContact N-OE1 3.13Å; N126-Q129 HydrophobicContact CB-CB 4.1Å; N126-Q129 HydrophobicContact CB-CG 4.09Å; N126-Q129 PolarHBondContact ND2-NE2 3.24Å; N126-Q129 PolarHBondContact O-N 2.99Å; N126-Q129 VanDerWaalsContact O-N 3.14Å; N126-Q129 PolarHBondContact OD1-N 2.81Å; N126-Q129 VanDerWaalsContact OD1-N 3.12Å; Q129-E132 PolarHBondContact O-N 2.93Å; Q129-T133 PolarHBondContact O-N 3.02Å; Q129-T133 PolarHBondContact O-OG1 2.92Å
130	M	95.8	Very high	94.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-39.5	173.2	-76	-56.9	-52	0	0	112.2	T124 N126 D127 E132 T133 Y134 L155 L158 R159 L162	T124-M130 HydrophobicContact CG2-SD 3.67Å; N126-M130 PolarHBondContact O-N 3.21Å; D127-M130 PolarHBondContact O-N 2.87Å; M130-E132 VanDerWaalsContact C-N 3.34Å; M130-T133 PolarHBondContact O-N 3.1Å; M130-Y134 WeakPolarHBondContact O-CB 3.24Å; M130-Y134 PolarHBondContact O-N 2.9Å; M130-L155 HydrophobicContact CB-CD1 3.63Å; M130-L155 HydrophobicContact CB-CG 4.46Å; M130-L155 WeakPolarHBondContact O-CD1 3.44Å; M130-L158 HydrophobicContact CE-CB 3.66Å; M130-R159 HydrophobicContact CE-CG 4.1Å; M130-L162 HydrophobicContact CE-CD1 4.24Å; M130-L162 HydrophobicContact SD-CD1 4.47Å
131	Y	96.2	Very high	93.7	Very high	113 Å²	113	48.4 Å²	48.4	44%	0.443	23%	0.234	S	C	.	.	H	α-helix	trans	-65	-36	173.9	179.4	-100.1	0	0	0	112.3	D127 Q128 Y134 K135	D127-Y131 VanDerWaalsContact O-CB 3.31Å; D127-Y131 WeakPolarHBondContact O-CB 3.28Å; D127-Y131 PolarHBondContact O-N 3.05Å; Q128-Y131 PolarHBondContact O-N 2.87Å; Y131-Y134 AromaticContact CD2-CD1 4Å; Y131-Y134 HydrophobicContact CD2-CD1 4Å; Y131-Y134 HydrophobicContact CE2-CD1 4.06Å; Y131-Y134 HydrophobicContact CE2-CE1 4.24Å; Y131-K135 HydrophobicContact CE1-CD 4.27Å; Y131-K135 VanDerWaalsContact O-CB 3.23Å; Y131-K135 WeakPolarHBondContact O-CB 3.36Å; Y131-K135 PolarHBondContact O-N 2.95Å
132	E	96.1	Very high	92.8	Very high	53 Å²	53	47.8 Å²	47.8	25%	0.248	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-40.6	174.1	-74.8	170.9	-172.7	0	0	112.9	Q128 Q129 M130 K135 L136 R176 M183	Q128-E132 PolarHBondContact NE2-OE1 3.43Å; Q128-E132 WeakPolarHBondContact O-CG 3.26Å; Q128-E132 PolarHBondContact O-N 2.9Å; Q129-E132 PolarHBondContact O-N 2.93Å; M130-E132 VanDerWaalsContact C-N 3.34Å; E132-K135 PolarHBondContact O-N 3.41Å; E132-L136 WeakPolarHBondContact O-CB 3.28Å; E132-L136 PolarHBondContact O-N 3.44Å; E132-R176 IonicContact OE2-CZ 2.92Å; E132-R176 IonicContact OE2-NH1 3.85Å; E132-R176 PolarHBondContact OE2-NH1 3.46Å; E132-R176 IonicContact OE2-NH2 2.88Å; E132-R176 PolarHBondContact OE2-NH2 3.28Å; E132-M183 HydrophobicContact CB-CE 4.09Å
133	T	95.7	Very high	92	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-48.7	172	-62.9	0	0	0	0	111.1	V122 Q129 M130 K135 L136 L137 M183 F186	V122-T133 WeakPolarHBondContact CG1-OG1 3.22Å; Q129-T133 PolarHBondContact O-N 3.02Å; Q129-T133 PolarHBondContact O-OG1 2.92Å; M130-T133 PolarHBondContact O-N 3.1Å; T133-K135 VanDerWaalsContact C-N 3.32Å; T133-K135 PolarHBondContact O-N 3.39Å; T133-L136 PolarHBondContact O-N 3.27Å; T133-L137 HydrophobicContact CG2-CD1 4.07Å; T133-L137 WeakPolarHBondContact O-CG 3.47Å; T133-L137 PolarHBondContact O-N 3.2Å; T133-M183 WeakPolarHBondContact OG1-CE 3.39Å; T133-F186 HydrophobicContact CG2-CD1 3.87Å; T133-F186 HydrophobicContact CG2-CD2 4.45Å; T133-F186 HydrophobicContact CG2-CE1 3.75Å; T133-F186 HydrophobicContact CG2-CE2 4.35Å; T133-F186 HydrophobicContact CG2-CG 4.23Å; T133-F186 HydrophobicContact CG2-CZ 4.01Å
134	Y	95	Very high	90.8	Very high	62 Å²	62	48 Å²	48	24%	0.243	23%	0.234	C	C	.	.	H	α-helix	trans	-52.1	-50.6	173.3	161.9	-107.2	0	0	0	111.3	M130 Y131 L136 L137 S138 D152 Y153 L158	M130-Y134 WeakPolarHBondContact O-CB 3.24Å; M130-Y134 PolarHBondContact O-N 2.9Å; Y131-Y134 AromaticContact CD2-CD1 4Å; Y131-Y134 HydrophobicContact CD2-CD1 4Å; Y131-Y134 HydrophobicContact CE2-CD1 4.06Å; Y131-Y134 HydrophobicContact CE2-CE1 4.24Å; Y134-L136 PolarHBondContact O-N 2.84Å; Y134-L137 PolarHBondContact O-N 3.12Å; Y134-S138 PolarHBondContact O-N 2.94Å; Y134-S138 PolarHBondContact O-OG 2.96Å; Y134-D152 PolarHBondContact OH-OD1 3.06Å; Y134-Y153 WeakPolarHBondContact CD2-O 3.25Å; Y134-L158 HydrophobicContact CD2-CD1 4.46Å
135	K	94.5	Very high	89.2	Confident	88 Å²	88	51 Å²	51	38%	0.383	25%	0.249	S	C	.	.	H	α-helix	trans	-65.9	-37.6	-179.1	-176.1	168.6	-175.6	167.7	0	113	Y131 E132 T133 L137 E139	Y131-K135 HydrophobicContact CE1-CD 4.27Å; Y131-K135 VanDerWaalsContact O-CB 3.23Å; Y131-K135 WeakPolarHBondContact O-CB 3.36Å; Y131-K135 PolarHBondContact O-N 2.95Å; E132-K135 PolarHBondContact O-N 3.41Å; T133-K135 VanDerWaalsContact C-N 3.32Å; T133-K135 PolarHBondContact O-N 3.39Å; K135-L137 VanDerWaalsContact C-N 3.3Å; K135-L137 PolarHBondContact O-N 3.47Å; K135-E139 WeakPolarHBondContact CE-OE1 3.35Å; K135-E139 HydrophobicContact CG-CG 4.38Å; K135-E139 WeakPolarHBondContact CG-OE1 3.41Å; K135-E139 VanDerWaalsContact O-CB 3.27Å; K135-E139 WeakPolarHBondContact O-CB 3.4Å; K135-E139 WeakPolarHBondContact O-CG 3.41Å; K135-E139 PolarHBondContact O-N 2.85Å; K135-E139 VanDerWaalsContact O-N 3.12Å
136	L	94.8	Very high	87.9	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.021	25%	0.25	C	S	.	.	H	α-helix	trans	-59.1	-45.8	172.5	176	65.4	0	0	0	110.2	E132 T133 Y134 N140 M183 F186 C210 H212	E132-L136 WeakPolarHBondContact O-CB 3.28Å; E132-L136 PolarHBondContact O-N 3.44Å; T133-L136 PolarHBondContact O-N 3.27Å; Y134-L136 PolarHBondContact O-N 2.84Å; L136-N140 HydrophobicContact CD1-CB 4.47Å; L136-N140 VanDerWaalsContact O-CB 3.25Å; L136-N140 WeakPolarHBondContact O-CB 3.38Å; L136-N140 PolarHBondContact O-N 3.11Å; L136-N140 PolarHBondContact O-ND2 2.91Å; L136-M183 HydrophobicContact CD2-CG 4.02Å; L136-M183 HydrophobicContact CD2-SD 3.83Å; L136-F186 HydrophobicContact CD2-CB 3.69Å; L136-C210 HydrophobicContact CD2-CB 4.34Å; L136-C210 HydrophobicContact CG-CB 4.42Å; L136-H212 HydrophobicContact CD1-CB 3.94Å
137	L	92.9	Very high	86.9	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-68.7	-52.5	-178.4	-65.3	170.4	0	0	0	112.2	T133 Y134 K135 E139 N140 Y141 L158 F208 C210	T133-L137 HydrophobicContact CG2-CD1 4.07Å; T133-L137 WeakPolarHBondContact O-CG 3.47Å; T133-L137 PolarHBondContact O-N 3.2Å; Y134-L137 PolarHBondContact O-N 3.12Å; K135-L137 VanDerWaalsContact C-N 3.3Å; K135-L137 PolarHBondContact O-N 3.47Å; L137-E139 PolarHBondContact O-N 3.46Å; L137-N140 PolarHBondContact O-N 2.8Å; L137-N140 VanDerWaalsContact O-N 3.08Å; L137-Y141 HydrophobicContact CD2-CD1 4.4Å; L137-Y141 HydrophobicContact CD2-CD2 3.52Å; L137-Y141 HydrophobicContact CD2-CE2 4.12Å; L137-Y141 HydrophobicContact CD2-CG 3.68Å; L137-Y141 WeakPolarHBondContact O-CB 3.48Å; L137-Y141 PolarHBondContact O-N 3.35Å; L137-L158 HydrophobicContact CD1-CD1 3.98Å; L137-L158 HydrophobicContact CD1-CD2 3.65Å; L137-L158 HydrophobicContact CD1-CG 4.5Å; L137-F208 HydrophobicContact CD1-CD1 4.15Å; L137-F208 HydrophobicContact CD1-CG 4.5Å; L137-F208 HydrophobicContact CD2-CB 4.38Å; L137-C210 HydrophobicContact CD2-CB 3.7Å
138	S	87.9	Confident	86	Confident	24 Å²	24	50 Å²	50	17%	0.168	24%	0.239	C	C	.	.	H	α-helix	trans	-68	-14.4	-179.4	59.4	0	0	0	0	114.2	Y134 R150	Y134-S138 PolarHBondContact O-N 2.94Å; Y134-S138 PolarHBondContact O-OG 2.96Å; S138-R150 WeakPolarHBondContact O-CD 3.4Å; S138-R150 PolarHBondContact O-NH1 3.41Å
139	E	89.3	Confident	85.5	Confident	67 Å²	67	45.6 Å²	45.6	31%	0.313	22%	0.219	S	C	.	.	H	α-helix	trans	-92.4	-31.4	167.2	-72.9	177.8	-174.3	0	0	113.7	K135 L137 K182 K213	K135-E139 WeakPolarHBondContact CE-OE1 3.35Å; K135-E139 HydrophobicContact CG-CG 4.38Å; K135-E139 WeakPolarHBondContact CG-OE1 3.41Å; K135-E139 VanDerWaalsContact O-CB 3.27Å; K135-E139 WeakPolarHBondContact O-CB 3.4Å; K135-E139 WeakPolarHBondContact O-CG 3.41Å; K135-E139 PolarHBondContact O-N 2.85Å; K135-E139 VanDerWaalsContact O-N 3.12Å; L137-E139 PolarHBondContact O-N 3.46Å; E139-K182 IonicContact OE2-NZ 2.66Å; E139-K182 PolarHBondContact OE2-NZ 3.07Å; E139-K213 WeakPolarHBondContact O-CE 3.18Å; E139-K213 PolarHBondContact O-NZ 3.15Å
140	N	89.8	Confident	85	Confident	7 Å²	7	44.9 Å²	44.9	4%	0.037	21%	0.214	C	C	.	.	H	α-helix	trans	-139.9	2.8	-160.7	-51.7	-93.1	0	0	0	117.8	L136 L137 C210 H212 K213 R216	L136-N140 HydrophobicContact CD1-CB 4.47Å; L136-N140 VanDerWaalsContact O-CB 3.25Å; L136-N140 WeakPolarHBondContact O-CB 3.38Å; L136-N140 PolarHBondContact O-N 3.11Å; L136-N140 PolarHBondContact O-ND2 2.91Å; L137-N140 PolarHBondContact O-N 2.8Å; L137-N140 VanDerWaalsContact O-N 3.08Å; N140-C210 PolarHBondContact O-SG 2.86Å; N140-H212 WeakPolarHBondContact OD1-CA 3.49Å; N140-K213 HydrophobicContact CB-CG 4.45Å; N140-K213 WeakPolarHBondContact OD1-CG 3.33Å; N140-K213 PolarHBondContact OD1-N 3.44Å; N140-R216 PolarHBondContact O-NH2 2.71Å
141	Y	86.4	Confident	84.5	Confident	24 Å²	24	46.6 Å²	46.6	9%	0.094	22%	0.222	C	C	.	.	S	Bend	trans	-81.9	-150.7	179.6	-161.4	-124	0	0	0	112.5	L137 E143 Y153 N207 F208 C210 R216	L137-Y141 HydrophobicContact CD2-CD1 4.4Å; L137-Y141 HydrophobicContact CD2-CD2 3.52Å; L137-Y141 HydrophobicContact CD2-CE2 4.12Å; L137-Y141 HydrophobicContact CD2-CG 3.68Å; L137-Y141 WeakPolarHBondContact O-CB 3.48Å; L137-Y141 PolarHBondContact O-N 3.35Å; Y141-E143 PolarHBondContact O-N 2.88Å; Y141-Y153 HydrophobicContact CD1-CD2 4.39Å; Y141-Y153 AromaticContact CD1-CE2 3.66Å; Y141-Y153 HydrophobicContact CD1-CE2 3.66Å; Y141-Y153 AromaticContact CE1-CE2 3.62Å; Y141-Y153 HydrophobicContact CE1-CE2 3.62Å; Y141-N207 PolarHBondContact OH-OD1 2.8Å; Y141-N207 VanDerWaalsContact OH-OD1 3.05Å; Y141-F208 HydrophobicContact CE1-CD1 4.42Å; Y141-F208 WeakPolarHBondContact OH-CA 3.14Å; Y141-F208 PolarHBondContact OH-N 3.08Å; Y141-C210 HydrophobicContact CD2-CB 4Å; Y141-R216 PolarHBondContact O-NH2 2.6Å
142	V	78.1	Confident	84.1	Confident	66 Å²	66	42.7 Å²	42.7	40%	0.4	21%	0.208	S	C	.	.			trans	-64	126.8	-179	179	0	0	0	0	110.9	R150 F151	V142-R150 WeakPolarHBondContact O-CG 3.32Å; V142-F151 HydrophobicContact CB-CD2 3.81Å; V142-F151 HydrophobicContact CB-CE2 3.97Å; V142-F151 HydrophobicContact CG1-CD2 4.06Å; V142-F151 HydrophobicContact CG1-CE2 3.74Å; V142-F151 HydrophobicContact CG1-CZ 4.38Å; V142-F151 PolarHBondContact O-N 3Å
143	E	78.1	Confident	83.8	Confident	35 Å²	35	40.3 Å²	40.3	16%	0.164	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-118.7	153.3	175.4	-66.4	173.2	120.9	0	0	107.3	Y141 F149 R150 K213 R216	Y141-E143 PolarHBondContact O-N 2.88Å; E143-F149 WeakPolarHBondContact CA-O 3.49Å; E143-R150 HydrophobicContact CG-CB 4.04Å; E143-R150 HydrophobicContact CG-CG 3.67Å; E143-R150 IonicContact OE1-CZ 2.64Å; E143-R150 VanDerWaalsContact OE1-CZ 3.23Å; E143-R150 IonicContact OE1-NE 2.91Å; E143-R150 PolarHBondContact OE1-NE 3.13Å; E143-R150 IonicContact OE1-NH2 3.01Å; E143-R150 PolarHBondContact OE1-NH2 3.27Å; E143-K213 IonicContact OE1-NZ 3.23Å; E143-K213 PolarHBondContact OE1-NZ 3.13Å; E143-K213 WeakPolarHBondContact OE2-CE 3.36Å; E143-K213 IonicContact OE2-NZ 3.37Å; E143-K213 PolarHBondContact OE2-NZ 2.97Å; E143-R216 IonicContact OE2-NH1 2.8Å; E143-R216 IonicContact OE2-NH2 2.8Å
144	D	71.4	Confident	83.6	Confident	41 Å²	41	42.3 Å²	42.3	22%	0.219	21%	0.211	C	C	.	.			trans	-70.8	161.3	169.6	70.2	-41.5	0	0	0	111.7	E146 N147 M148 F149	D144-E146 PolarHBondContact O-N 2.89Å; D144-N147 PolarHBondContact O-N 2.82Å; D144-N147 WeakPolarHBondContact OD1-CA 3.25Å; D144-N147 PolarHBondContact OD1-N 2.97Å; D144-M148 PolarHBondContact OD1-N 2.78Å; D144-M148 PolarHBondContact OD2-N 3.29Å; D144-F149 HydrophobicContact CB-CB 4.38Å; D144-F149 HydrophobicContact CB-CD2 4.32Å; D144-F149 PolarHBondContact N-O 3.18Å; D144-F149 PolarHBondContact OD1-N 2.95Å; D144-F149 WeakPolarHBondContact OD2-CD2 3.38Å
145	D	58.8	Low	83.6	Confident	62 Å²	62	41 Å²	41	33%	0.332	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-40.9	179.4	-67.5	31.5	0	0	0	112.5	L54 N147	L54-D145 WeakPolarHBondContact CA-OD2 3.48Å; L54-D145 HydrophobicContact CB-CB 3.96Å; L54-D145 VanDerWaalsContact CB-OD2 3.26Å; L54-D145 WeakPolarHBondContact CB-OD2 3.19Å; D145-N147 VanDerWaalsContact C-N 3.33Å; D145-N147 PolarHBondContact O-N 2.78Å; D145-N147 PolarHBondContact O-ND2 2.91Å; D145-N147 VanDerWaalsContact O-ND2 3.13Å
146	E	64.6	Low	83.5	Confident	128 Å²	128	41.2 Å²	41.2	60%	0.598	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-3	179.1	-63.4	-166.2	-168.3	0	0	113.9	D144 M148	D144-E146 PolarHBondContact O-N 2.89Å; E146-M148 HydrophobicContact CB-CE 4.01Å; E146-M148 HydrophobicContact CB-CG 4Å; E146-M148 PolarHBondContact O-N 2.73Å; E146-M148 VanDerWaalsContact OE2-CE 3.23Å; E146-M148 WeakPolarHBondContact OE2-CE 3.49Å
147	N	73.3	Confident	83.5	Confident	90 Å²	90	41.3 Å²	41.3	48%	0.481	21%	0.211	S	C	.	.	S	Bend	trans	57.4	24.5	-176.6	-62.2	-118.8	0	0	0	113.8	D144 D145 M368	D144-N147 PolarHBondContact O-N 2.82Å; D144-N147 WeakPolarHBondContact OD1-CA 3.25Å; D144-N147 PolarHBondContact OD1-N 2.97Å; D145-N147 VanDerWaalsContact C-N 3.33Å; D145-N147 PolarHBondContact O-N 2.78Å; D145-N147 PolarHBondContact O-ND2 2.91Å; D145-N147 VanDerWaalsContact O-ND2 3.13Å; N147-M368 WeakPolarHBondContact O-CB 3.29Å
148	M	76.8	Confident	83.6	Confident	35 Å²	35	41.1 Å²	41.1	17%	0.172	21%	0.21	C	C	.	.	S	Bend	trans	-81.5	-22.7	174.4	-62.6	-165.1	-66.1	0	0	112.7	D144 E146 K271 M368	D144-M148 PolarHBondContact OD1-N 2.78Å; D144-M148 PolarHBondContact OD2-N 3.29Å; E146-M148 HydrophobicContact CB-CE 4.01Å; E146-M148 HydrophobicContact CB-CG 4Å; E146-M148 PolarHBondContact O-N 2.73Å; E146-M148 VanDerWaalsContact OE2-CE 3.23Å; E146-M148 WeakPolarHBondContact OE2-CE 3.49Å; M148-K271 HydrophobicContact CE-CB 3.93Å; M148-K271 HydrophobicContact SD-CB 3.86Å; M148-K271 HydrophobicContact SD-CD 3.83Å; M148-K271 HydrophobicContact SD-CG 4.48Å; M148-M368 WeakPolarHBondContact O-CB 3.46Å; M148-M368 PolarHBondContact O-N 2.83Å
149	F	84.5	Confident	84	Confident	17 Å²	17	42.4 Å²	42.4	8%	0.075	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.3	-173.1	-49	-61.3	0	0	0	112.2	E143 D144 V270 F272 T366 V367 I376	E143-F149 WeakPolarHBondContact CA-O 3.49Å; D144-F149 HydrophobicContact CB-CB 4.38Å; D144-F149 HydrophobicContact CB-CD2 4.32Å; D144-F149 PolarHBondContact N-O 3.18Å; D144-F149 PolarHBondContact OD1-N 2.95Å; D144-F149 WeakPolarHBondContact OD2-CD2 3.38Å; F149-V270 HydrophobicContact CE1-CB 4.41Å; F149-V270 HydrophobicContact CE1-CG2 4.12Å; F149-V270 HydrophobicContact CZ-CG2 4.28Å; F149-V270 WeakPolarHBondContact CZ-O 3.5Å; F149-F272 HydrophobicContact CD2-CD2 4.07Å; F149-F272 HydrophobicContact CE1-CB 4.36Å; F149-F272 HydrophobicContact CE2-CB 3.98Å; F149-F272 AromaticContact CE2-CD2 3.77Å; F149-F272 HydrophobicContact CE2-CD2 3.77Å; F149-F272 HydrophobicContact CE2-CG 4.35Å; F149-F272 HydrophobicContact CZ-CB 3.62Å; F149-F272 HydrophobicContact CZ-CD2 4.08Å; F149-F272 HydrophobicContact CZ-CG 4.37Å; F149-T366 WeakPolarHBondContact CA-O 3.45Å; F149-V367 HydrophobicContact CD1-CG2 4.18Å; F149-V367 HydrophobicContact CE1-CG1 4.19Å; F149-V367 HydrophobicContact CE1-CG2 4.1Å; F149-I376 HydrophobicContact CD1-CD1 3.81Å; F149-I376 HydrophobicContact CE1-CD1 3.52Å; F149-I376 HydrophobicContact CZ-CD1 4.09Å
150	R	84.9	Confident	84.3	Confident	23 Å²	23	39.3 Å²	39.3	9%	0.087	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.9	169.7	-168	-174.3	-52.7	99.7	23	109.5	S138 V142 E143 D152 S365 T366 M368	S138-R150 WeakPolarHBondContact O-CD 3.4Å; S138-R150 PolarHBondContact O-NH1 3.41Å; V142-R150 WeakPolarHBondContact O-CG 3.32Å; E143-R150 HydrophobicContact CG-CB 4.04Å; E143-R150 HydrophobicContact CG-CG 3.67Å; E143-R150 IonicContact OE1-CZ 2.64Å; E143-R150 VanDerWaalsContact OE1-CZ 3.23Å; E143-R150 IonicContact OE1-NE 2.91Å; E143-R150 PolarHBondContact OE1-NE 3.13Å; E143-R150 IonicContact OE1-NH2 3.01Å; E143-R150 PolarHBondContact OE1-NH2 3.27Å; R150-D152 PolarHBondContact O-N 2.92Å; R150-S365 CarbonylContact O-C 3.43Å; R150-S365 WeakPolarHBondContact O-CA 3.38Å; R150-T366 PolarHBondContact N-O 3.47Å; R150-T366 PolarHBondContact O-N 2.71Å; R150-M368 PolarHBondContact NH2-SD 3.39Å
151	F	85.2	Confident	84.5	Confident	37 Å²	37	39.4 Å²	39.4	16%	0.162	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	135.9	174.9	-63.3	-29.3	0	0	0	111.2	V142 Y153 L363 Y380	V142-F151 HydrophobicContact CB-CD2 3.81Å; V142-F151 HydrophobicContact CB-CE2 3.97Å; V142-F151 HydrophobicContact CG1-CD2 4.06Å; V142-F151 HydrophobicContact CG1-CE2 3.74Å; V142-F151 HydrophobicContact CG1-CZ 4.38Å; V142-F151 PolarHBondContact O-N 3Å; F151-Y153 HydrophobicContact CB-CD2 3.93Å; F151-Y153 HydrophobicContact CB-CE2 3.42Å; F151-Y153 VanDerWaalsContact CB-CE2 3.42Å; F151-Y153 AromaticContact CD2-CE2 3.94Å; F151-Y153 HydrophobicContact CD2-CE2 3.94Å; F151-Y153 WeakPolarHBondContact CD2-OH 3.46Å; F151-Y153 HydrophobicContact CG-CE2 4.08Å; F151-L363 HydrophobicContact CB-CD1 4.24Å; F151-L363 HydrophobicContact CD1-CD2 4.17Å; F151-L363 HydrophobicContact CD1-CG 4.42Å; F151-L363 HydrophobicContact CD2-CD2 4.4Å; F151-L363 HydrophobicContact CE1-CD2 4.47Å; F151-L363 HydrophobicContact CG-CD2 4.15Å; F151-Y380 WeakPolarHBondContact CE1-OH 3.47Å
152	D	87.7	Confident	85	Confident	30 Å²	30	38.3 Å²	38.3	16%	0.16	19%	0.194	C	C	.	.			trans	-124.4	61.7	-173.9	-167.9	27.5	0	0	0	109.4	Y134 R150 S154 P364	Y134-D152 PolarHBondContact OH-OD1 3.06Å; R150-D152 PolarHBondContact O-N 2.92Å; D152-S154 PolarHBondContact O-N 3.15Å; D152-S154 VanDerWaalsContact O-N 3.12Å; D152-P364 HydrophobicContact CB-CG 4.3Å; D152-P364 PolarHBondContact N-O 2.85Å; D152-P364 VanDerWaalsContact O-CG 3.31Å; D152-P364 WeakPolarHBondContact O-CG 3.28Å
153	Y	90.1	Very high	85.8	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.016	18%	0.184	C	C	.	.			trans	-56.9	115.6	177.4	-60.4	-92.5	0	0	0	109.7	Y134 Y141 F151 F157 L158 F208 L363 A456	Y134-Y153 WeakPolarHBondContact CD2-O 3.25Å; Y141-Y153 HydrophobicContact CD1-CD2 4.39Å; Y141-Y153 AromaticContact CD1-CE2 3.66Å; Y141-Y153 HydrophobicContact CD1-CE2 3.66Å; Y141-Y153 AromaticContact CE1-CE2 3.62Å; Y141-Y153 HydrophobicContact CE1-CE2 3.62Å; F151-Y153 HydrophobicContact CB-CD2 3.93Å; F151-Y153 HydrophobicContact CB-CE2 3.42Å; F151-Y153 VanDerWaalsContact CB-CE2 3.42Å; F151-Y153 AromaticContact CD2-CE2 3.94Å; F151-Y153 HydrophobicContact CD2-CE2 3.94Å; F151-Y153 WeakPolarHBondContact CD2-OH 3.46Å; F151-Y153 HydrophobicContact CG-CE2 4.08Å; Y153-F157 AromaticContact CD1-CD1 3.62Å; Y153-F157 HydrophobicContact CD1-CD1 3.62Å; Y153-F157 AromaticContact CD1-CE1 3.52Å; Y153-F157 HydrophobicContact CD1-CE1 3.52Å; Y153-F157 HydrophobicContact CD1-CG 4.44Å; Y153-F157 HydrophobicContact CD1-CZ 4.25Å; Y153-F157 HydrophobicContact CE1-CD1 4.47Å; Y153-F157 AromaticContact CE1-CE1 3.92Å; Y153-F157 HydrophobicContact CE1-CE1 3.92Å; Y153-F157 HydrophobicContact CE1-CZ 4.42Å; Y153-F157 HydrophobicContact CG-CD1 4.48Å; Y153-L158 HydrophobicContact CG-CD2 4.31Å; Y153-F208 AromaticContact CD1-CE1 3.88Å; Y153-F208 HydrophobicContact CD1-CE1 3.88Å; Y153-F208 HydrophobicContact CD1-CZ 4.38Å; Y153-F208 HydrophobicContact CD2-CE1 4.33Å; Y153-F208 AromaticContact CE1-CE1 3.79Å; Y153-F208 HydrophobicContact CE1-CE1 3.79Å; Y153-F208 HydrophobicContact CE1-CZ 4.38Å; Y153-F208 HydrophobicContact CE2-CE1 4.26Å; Y153-F208 HydrophobicContact CG-CE1 4.15Å; Y153-F208 AromaticContact CZ-CE1 4Å; Y153-L363 HydrophobicContact CD1-CD1 3.42Å; Y153-L363 VanDerWaalsContact CD1-CD1 3.42Å; Y153-L363 HydrophobicContact CD1-CD2 4.38Å; Y153-L363 HydrophobicContact CD2-CD1 4.08Å; Y153-L363 HydrophobicContact CE1-CD1 3.57Å; Y153-L363 HydrophobicContact CE1-CD2 3.67Å; Y153-L363 HydrophobicContact CE1-CG 4.25Å; Y153-L363 HydrophobicContact CE2-CD1 4.16Å; Y153-L363 HydrophobicContact CG-CD1 3.7Å; Y153-A456 WeakPolarHBondContact CE1-O 3.47Å; Y153-A456 PolarHBondContact OH-O 3.21Å; Y153-A456 PolarHBondContact OH-OXT 3.45Å; Y153-A456 VanDerWaalsContact OH-OXT 3.07Å
154	S	92.4	Very high	86.7	Confident	41 Å²	41	36.1 Å²	36.1	29%	0.287	18%	0.177	S	C	.	.			trans	-63	155.5	179.8	67.8	0	0	0	0	111.4	D152 E156 F157 L158	D152-S154 PolarHBondContact O-N 3.15Å; D152-S154 VanDerWaalsContact O-N 3.12Å; S154-E156 PolarHBondContact O-N 3.15Å; S154-F157 WeakPolarHBondContact O-CB 3.45Å; S154-F157 PolarHBondContact O-N 2.68Å; S154-F157 WeakPolarHBondContact OG-CB 3.4Å; S154-F157 PolarHBondContact OG-N 3.39Å; S154-F157 VanDerWaalsContact OG-N 3.07Å; S154-L158 WeakPolarHBondContact O-CG 3.43Å; S154-L158 PolarHBondContact O-N 3.4Å
155	L	93.2	Very high	87.9	Confident	36 Å²	36	36.5 Å²	36.5	19%	0.188	18%	0.181	C	C	.	.	H	α-helix	trans	-50.5	-42.7	175.4	-169.2	78.4	0	0	0	111.5	M130 L158 R159	M130-L155 HydrophobicContact CB-CD1 3.63Å; M130-L155 HydrophobicContact CB-CG 4.46Å; M130-L155 WeakPolarHBondContact O-CD1 3.44Å; L155-L158 PolarHBondContact O-N 3.38Å; L155-R159 WeakPolarHBondContact O-CG 3.23Å; L155-R159 PolarHBondContact O-N 2.6Å
156	E	93.8	Very high	89.7	Confident	91 Å²	91	35.9 Å²	35.9	43%	0.425	19%	0.19	S	C	.	.	H	α-helix	trans	-73.8	-33	179	-83.4	48.8	72	0	0	113.2	S154 R159 W160 I342	S154-E156 PolarHBondContact O-N 3.15Å; E156-R159 PolarHBondContact O-N 3.32Å; E156-R159 WeakPolarHBondContact OE2-CD 3.43Å; E156-R159 IonicContact OE2-CZ 2.75Å; E156-R159 IonicContact OE2-NE 2.72Å; E156-R159 IonicContact OE2-NH1 2.61Å; E156-R159 PolarHBondContact OE2-NH1 2.84Å; E156-W160 WeakPolarHBondContact O-CB 3.48Å; E156-W160 PolarHBondContact O-N 3.01Å; E156-I342 HydrophobicContact CB-CD1 3.98Å; E156-I342 HydrophobicContact CB-CG1 4.44Å
157	F	94.9	Very high	91.2	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-44.9	168.6	-173.2	-73.5	0	0	0	110.9	Y153 S154 R159 W160 A161 I342 Y361 T362	Y153-F157 AromaticContact CD1-CD1 3.62Å; Y153-F157 HydrophobicContact CD1-CD1 3.62Å; Y153-F157 AromaticContact CD1-CE1 3.52Å; Y153-F157 HydrophobicContact CD1-CE1 3.52Å; Y153-F157 HydrophobicContact CD1-CG 4.44Å; Y153-F157 HydrophobicContact CD1-CZ 4.25Å; Y153-F157 HydrophobicContact CE1-CD1 4.47Å; Y153-F157 AromaticContact CE1-CE1 3.92Å; Y153-F157 HydrophobicContact CE1-CE1 3.92Å; Y153-F157 HydrophobicContact CE1-CZ 4.42Å; Y153-F157 HydrophobicContact CG-CD1 4.48Å; S154-F157 WeakPolarHBondContact O-CB 3.45Å; S154-F157 PolarHBondContact O-N 2.68Å; S154-F157 WeakPolarHBondContact OG-CB 3.4Å; S154-F157 PolarHBondContact OG-N 3.39Å; S154-F157 VanDerWaalsContact OG-N 3.07Å; F157-R159 VanDerWaalsContact C-N 3.31Å; F157-R159 PolarHBondContact O-N 2.76Å; F157-W160 HydrophobicContact CD1-CE3 4.48Å; F157-W160 HydrophobicContact CD2-CE3 4.08Å; F157-W160 HydrophobicContact CD2-CZ3 4.17Å; F157-W160 HydrophobicContact CE1-CE3 4.33Å; F157-W160 HydrophobicContact CE1-CZ3 4.32Å; F157-W160 AromaticContact CE2-CE3 3.94Å; F157-W160 HydrophobicContact CE2-CE3 3.94Å; F157-W160 AromaticContact CE2-CZ3 3.58Å; F157-W160 HydrophobicContact CE2-CZ3 3.58Å; F157-W160 HydrophobicContact CG-CE3 4.36Å; F157-W160 HydrophobicContact CZ-CE3 4.08Å; F157-W160 AromaticContact CZ-CZ3 3.68Å; F157-W160 HydrophobicContact CZ-CZ3 3.68Å; F157-W160 WeakPolarHBondContact O-CB 3.47Å; F157-W160 PolarHBondContact O-N 2.77Å; F157-W160 VanDerWaalsContact O-N 3.13Å; F157-A161 HydrophobicContact CD1-CB 4.2Å; F157-A161 HydrophobicContact CE1-CB 4.02Å; F157-A161 WeakPolarHBondContact O-CB 3.44Å; F157-A161 PolarHBondContact O-N 3.21Å; F157-I342 HydrophobicContact CD2-CG2 3.99Å; F157-Y361 AromaticContact CE2-CD2 3.67Å; F157-Y361 HydrophobicContact CE2-CD2 3.67Å; F157-Y361 HydrophobicContact CE2-CE2 4.4Å; F157-Y361 HydrophobicContact CE2-CG 4.19Å; F157-Y361 AromaticContact CZ-CD2 3.93Å; F157-Y361 HydrophobicContact CZ-CD2 3.93Å; F157-Y361 HydrophobicContact CZ-CE2 4.25Å; F157-T362 WeakPolarHBondContact CD2-O 3.47Å; F157-T362 VanDerWaalsContact CE2-O 3.28Å; F157-T362 WeakPolarHBondContact CE2-O 3.13Å
158	L	94.9	Very high	92.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62	-40.4	177.8	-67	171.1	0	0	0	111.1	M130 Y134 L137 Y153 S154 L155 A161 L162 F208	M130-L158 HydrophobicContact CE-CB 3.66Å; Y134-L158 HydrophobicContact CD2-CD1 4.46Å; L137-L158 HydrophobicContact CD1-CD1 3.98Å; L137-L158 HydrophobicContact CD1-CD2 3.65Å; L137-L158 HydrophobicContact CD1-CG 4.5Å; Y153-L158 HydrophobicContact CG-CD2 4.31Å; S154-L158 WeakPolarHBondContact O-CG 3.43Å; S154-L158 PolarHBondContact O-N 3.4Å; L155-L158 PolarHBondContact O-N 3.38Å; L158-A161 PolarHBondContact O-N 2.8Å; L158-L162 VanDerWaalsContact O-CB 3.23Å; L158-L162 WeakPolarHBondContact O-CB 3.33Å; L158-L162 WeakPolarHBondContact O-CG 3.47Å; L158-L162 PolarHBondContact O-N 3.12Å; L158-F208 HydrophobicContact CD2-CD1 4.16Å; L158-F208 HydrophobicContact CD2-CE1 3.82Å; L158-F208 HydrophobicContact CD2-CE2 4.33Å; L158-F208 HydrophobicContact CD2-CZ 3.92Å
159	R	94.8	Very high	93	Very high	50 Å²	50	34.8 Å²	34.8	19%	0.189	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-42.9	171.6	-76.7	172.5	161.4	148.4	-3.8	112.8	D127 M130 L155 E156 F157 R163	D127-R159 IonicContact OD1-CZ 2.88Å; D127-R159 IonicContact OD1-NH1 3.6Å; D127-R159 PolarHBondContact OD1-NH1 3.41Å; D127-R159 IonicContact OD1-NH2 3.75Å; D127-R159 PolarHBondContact OD1-NH2 3.47Å; M130-R159 HydrophobicContact CE-CG 4.1Å; L155-R159 WeakPolarHBondContact O-CG 3.23Å; L155-R159 PolarHBondContact O-N 2.6Å; E156-R159 PolarHBondContact O-N 3.32Å; E156-R159 WeakPolarHBondContact OE2-CD 3.43Å; E156-R159 IonicContact OE2-CZ 2.75Å; E156-R159 IonicContact OE2-NE 2.72Å; E156-R159 IonicContact OE2-NH1 2.61Å; E156-R159 PolarHBondContact OE2-NH1 2.84Å; F157-R159 VanDerWaalsContact C-N 3.31Å; F157-R159 PolarHBondContact O-N 2.76Å; R159-R163 WeakPolarHBondContact O-CB 3.45Å; R159-R163 VanDerWaalsContact O-CG 3.29Å; R159-R163 WeakPolarHBondContact O-CG 3.31Å; R159-R163 PolarHBondContact O-N 2.82Å
160	W	95.9	Very high	93.4	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.011	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-50.1	176.3	172.7	67.5	0	0	0	111.8	E156 F157 L162 R163 H334 W335 R339 I342 I343 F382 Y455	E156-W160 WeakPolarHBondContact O-CB 3.48Å; E156-W160 PolarHBondContact O-N 3.01Å; F157-W160 HydrophobicContact CD1-CE3 4.48Å; F157-W160 HydrophobicContact CD2-CE3 4.08Å; F157-W160 HydrophobicContact CD2-CZ3 4.17Å; F157-W160 HydrophobicContact CE1-CE3 4.33Å; F157-W160 HydrophobicContact CE1-CZ3 4.32Å; F157-W160 AromaticContact CE2-CE3 3.94Å; F157-W160 HydrophobicContact CE2-CE3 3.94Å; F157-W160 AromaticContact CE2-CZ3 3.58Å; F157-W160 HydrophobicContact CE2-CZ3 3.58Å; F157-W160 HydrophobicContact CG-CE3 4.36Å; F157-W160 HydrophobicContact CZ-CE3 4.08Å; F157-W160 AromaticContact CZ-CZ3 3.68Å; F157-W160 HydrophobicContact CZ-CZ3 3.68Å; F157-W160 WeakPolarHBondContact O-CB 3.47Å; F157-W160 PolarHBondContact O-N 2.77Å; F157-W160 VanDerWaalsContact O-N 3.13Å; W160-L162 PolarHBondContact O-N 3.17Å; W160-R163 PolarHBondContact O-N 3.26Å; W160-H334 AromaticContact CD1-CE1 3.7Å; W160-H334 AromaticContact CD1-NE2 3.64Å; W160-H334 PolarHBondContact NE1-O 2.94Å; W160-H334 PolarHBondContact O-CE1 2.86Å; W160-H334 VanDerWaalsContact O-CE1 3.26Å; W160-H334 PolarHBondContact O-NE2 2.97Å; W160-W335 HydrophobicContact CD2-CE3 4.29Å; W160-W335 HydrophobicContact CD2-CZ3 4.17Å; W160-W335 AromaticContact CE2-CE3 3.65Å; W160-W335 AromaticContact CE2-CZ3 4Å; W160-W335 HydrophobicContact CE3-CZ3 4.42Å; W160-W335 HydrophobicContact CH2-CE3 4.19Å; W160-W335 HydrophobicContact CH2-CZ3 4.43Å; W160-W335 AromaticContact CZ2-CE3 3.62Å; W160-W335 HydrophobicContact CZ2-CE3 3.62Å; W160-W335 HydrophobicContact CZ2-CZ3 4.17Å; W160-W335 AromaticContact NE1-CE3 3.84Å; W160-R339 VanDerWaalsContact CD1-CZ 3.48Å; W160-I342 HydrophobicContact CB-CD1 4.47Å; W160-I342 HydrophobicContact CB-CG2 3.89Å; W160-I342 HydrophobicContact CD2-CG2 3.45Å; W160-I342 VanDerWaalsContact CD2-CG2 3.45Å; W160-I342 HydrophobicContact CE3-CG2 3.44Å; W160-I342 VanDerWaalsContact CE3-CG2 3.44Å; W160-I342 HydrophobicContact CG-CG2 3.7Å; W160-I342 HydrophobicContact CZ3-CG2 4.11Å; W160-I343 HydrophobicContact CH2-CB 4.19Å; W160-I343 HydrophobicContact CH2-CD1 4.23Å; W160-I343 HydrophobicContact CH2-CG1 4.47Å; W160-I343 HydrophobicContact CZ2-CB 3.85Å; W160-I343 HydrophobicContact CZ2-CD1 4.26Å; W160-I343 HydrophobicContact CZ2-CG1 4.08Å; W160-I343 HydrophobicContact CZ2-CG2 3.99Å; W160-F382 HydrophobicContact CH2-CZ 4.49Å; W160-Y455 HydrophobicContact CH2-CE1 4.48Å
161	A	95.4	Very high	94.1	Very high	8 Å²	8	34.4 Å²	34.4	7%	0.066	19%	0.191	C	C	.	.	H	α-helix	trans	-64.7	-37.3	-178.8	0	0	0	0	0	113.1	F157 L158 I190 F208	F157-A161 HydrophobicContact CD1-CB 4.2Å; F157-A161 HydrophobicContact CE1-CB 4.02Å; F157-A161 WeakPolarHBondContact O-CB 3.44Å; F157-A161 PolarHBondContact O-N 3.21Å; L158-A161 PolarHBondContact O-N 2.8Å; A161-I190 WeakPolarHBondContact O-CD1 3.4Å; A161-F208 HydrophobicContact CB-CE2 3.88Å; A161-F208 HydrophobicContact CB-CZ 3.95Å
162	L	96.2	Very high	94.6	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-83.7	-16.4	-178.8	-64.6	174.3	0	0	0	114	T124 M130 L158 W160 P164 F172 F186 F208	T124-L162 HydrophobicContact CG2-CB 4.43Å; T124-L162 HydrophobicContact CG2-CD1 4.16Å; M130-L162 HydrophobicContact CE-CD1 4.24Å; M130-L162 HydrophobicContact SD-CD1 4.47Å; L158-L162 VanDerWaalsContact O-CB 3.23Å; L158-L162 WeakPolarHBondContact O-CB 3.33Å; L158-L162 WeakPolarHBondContact O-CG 3.47Å; L158-L162 PolarHBondContact O-N 3.12Å; W160-L162 PolarHBondContact O-N 3.17Å; L162-P164 WeakPolarHBondContact O-CD 3.45Å; L162-F172 HydrophobicContact CB-CE1 4.16Å; L162-F172 HydrophobicContact CB-CZ 4.12Å; L162-F172 HydrophobicContact CD2-CD1 3.92Å; L162-F172 HydrophobicContact CD2-CE1 3.91Å; L162-F172 WeakPolarHBondContact O-CZ 3.37Å; L162-F186 HydrophobicContact CD1-CZ 4.31Å; L162-F208 HydrophobicContact CD2-CD2 3.94Å; L162-F208 HydrophobicContact CD2-CE2 4.2Å
163	R	95.6	Very high	95.1	Very high	55 Å²	55	31.2 Å²	31.2	21%	0.208	18%	0.176	C	C	.	.			trans	-115.6	43.3	-172.7	-59.8	-179.6	148.7	-142.9	-24.7	116.4	T124 D125 R159 W160 W167 H334	T124-R163 VanDerWaalsContact C-NH2 3.32Å; T124-R163 VanDerWaalsContact CB-NE 3.28Å; T124-R163 VanDerWaalsContact OG1-CZ 3.3Å; T124-R163 PolarHBondContact OG1-NE 2.83Å; T124-R163 PolarHBondContact OG1-NH2 2.9Å; D125-R163 VanDerWaalsContact N-NH2 3.17Å; D125-R163 IonicContact OD1-CZ 3.72Å; D125-R163 IonicContact OD1-NH1 2.85Å; D125-R163 PolarHBondContact OD1-NH1 3Å; D125-R163 IonicContact OD1-NH2 3.76Å; D125-R163 PolarHBondContact OD1-NH2 2.84Å; D125-R163 IonicContact OD2-CZ 3.19Å; D125-R163 IonicContact OD2-NH1 3.79Å; D125-R163 IonicContact OD2-NH2 3.73Å; D125-R163 PolarHBondContact OD2-NH2 3.33Å; R159-R163 WeakPolarHBondContact O-CB 3.45Å; R159-R163 VanDerWaalsContact O-CG 3.29Å; R159-R163 WeakPolarHBondContact O-CG 3.31Å; R159-R163 PolarHBondContact O-N 2.82Å; W160-R163 PolarHBondContact O-N 3.26Å; R163-W167 HydrophobicContact CB-CG 4.45Å; R163-W167 HydrophobicContact CG-CD2 4.49Å; R163-H334 PolarHBondContact O-CE1 3.48Å
164	P	96.4	Very high	95.5	Very high	1 Å²	1	31 Å²	31	1%	0.006	18%	0.175	C	C	.	.			trans	-68.6	159.9	169.9	33	-36.2	0	0	0	111.8	L162 G166 W167 I190 P191 W335	L162-P164 WeakPolarHBondContact O-CD 3.45Å; P164-G166 PolarHBondContact O-N 2.92Å; P164-W167 WeakPolarHBondContact O-CB 3.28Å; P164-W167 VanDerWaalsContact O-CD1 3.24Å; P164-W167 PolarHBondContact O-N 3.01Å; P164-I190 HydrophobicContact CG-CB 3.9Å; P164-I190 HydrophobicContact CG-CD1 4.28Å; P164-I190 HydrophobicContact CG-CG1 4.49Å; P164-I190 HydrophobicContact CG-CG2 4.26Å; P164-P191 HydrophobicContact CG-CG 4.46Å; P164-W335 HydrophobicContact CB-CH2 4.13Å; P164-W335 HydrophobicContact CB-CZ2 3.44Å; P164-W335 VanDerWaalsContact CB-CZ2 3.44Å; P164-W335 HydrophobicContact CG-CH2 4.24Å; P164-W335 HydrophobicContact CG-CZ2 3.75Å
165	P	97	Very high	95.7	Very high	48 Å²	48	29.1 Å²	29.1	31%	0.312	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	128.3	178.5	-29.7	36.9	0	0	0	113.2	P191 D330 E331 H334	P165-P191 WeakPolarHBondContact O-CG 3.33Å; P165-D330 HydrophobicContact CB-CB 4.11Å; P165-D330 HydrophobicContact CG-CB 3.72Å; P165-E331 HydrophobicContact CB-CG 4.4Å; P165-E331 HydrophobicContact CG-CG 4.24Å; P165-H334 HydrophobicContact CG-CB 4.31Å
166	G	96.1	Very high	95.9	Very high	49 Å²	49	28.4 Å²	28.4	51%	0.505	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	7	-177.2	0	0	0	0	0	115.9	P164 Q168	P164-G166 PolarHBondContact O-N 2.92Å; G166-Q168 PolarHBondContact O-NE2 3.12Å
167	W	96.1	Very high	96	Very high	72 Å²	72	25.9 Å²	25.9	27%	0.273	15%	0.147	S	C	.	.			trans	-51.9	151.6	173.3	71.4	-92.6	0	0	0	112.7	R163 P164 P169 F172	R163-W167 HydrophobicContact CB-CG 4.45Å; R163-W167 HydrophobicContact CG-CD2 4.49Å; P164-W167 WeakPolarHBondContact O-CB 3.28Å; P164-W167 VanDerWaalsContact O-CD1 3.24Å; P164-W167 PolarHBondContact O-N 3.01Å; W167-P169 HydrophobicContact CZ3-CB 3.9Å; W167-P169 HydrophobicContact CZ3-CG 4.43Å; W167-F172 HydrophobicContact CB-CZ 4.33Å; W167-F172 HydrophobicContact CD2-CE2 4.41Å; W167-F172 AromaticContact CE3-CE2 3.46Å; W167-F172 HydrophobicContact CE3-CE2 3.46Å; W167-F172 VanDerWaalsContact CE3-CE2 3.46Å; W167-F172 AromaticContact CE3-CZ 3.84Å; W167-F172 HydrophobicContact CE3-CZ 3.84Å; W167-F172 AromaticContact CZ3-CE2 3.77Å; W167-F172 HydrophobicContact CZ3-CE2 3.77Å
168	Q	95.6	Very high	96	Very high	79 Å²	79	27.4 Å²	27.4	37%	0.369	16%	0.158	S	C	.	.			trans	-124.3	126.9	-176.2	-58.2	-61.5	-50.5	0	0	110.3	G166 G170 W171	G166-Q168 PolarHBondContact O-NE2 3.12Å; Q168-G170 VanDerWaalsContact C-N 3.29Å; Q168-G170 PolarHBondContact O-N 2.82Å; Q168-W171 HydrophobicContact CB-CB 4.45Å; Q168-W171 HydrophobicContact CB-CD2 3.63Å; Q168-W171 HydrophobicContact CB-CE3 3.84Å; Q168-W171 HydrophobicContact CB-CG 3.91Å; Q168-W171 HydrophobicContact CB-CZ2 4.41Å; Q168-W171 HydrophobicContact CB-CZ3 4.32Å; Q168-W171 HydrophobicContact CG-CD2 3.92Å; Q168-W171 HydrophobicContact CG-CE3 3.87Å; Q168-W171 HydrophobicContact CG-CH2 3.8Å; Q168-W171 HydrophobicContact CG-CZ2 3.84Å; Q168-W171 HydrophobicContact CG-CZ3 3.82Å; Q168-W171 WeakPolarHBondContact O-CB 3.38Å; Q168-W171 PolarHBondContact O-N 3.17Å; Q168-W171 VanDerWaalsContact O-N 3.12Å
169	P	92.3	Very high	96	Very high	79 Å²	79	37.2 Å²	37.2	51%	0.513	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-61.8	-36	-177.1	22	-32.2	0	0	0	112.9	W167 W171 F172	W167-P169 HydrophobicContact CZ3-CB 3.9Å; W167-P169 HydrophobicContact CZ3-CG 4.43Å; P169-W171 PolarHBondContact O-N 3.33Å; P169-F172 PolarHBondContact O-N 3.42Å
170	G	94	Very high	96	Very high	25 Å²	25	38.5 Å²	38.5	26%	0.258	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-67.1	-2.6	178.2	0	0	0	0	0	115.1	Q168 R231	Q168-G170 VanDerWaalsContact C-N 3.29Å; Q168-G170 PolarHBondContact O-N 2.82Å; G170-R231 WeakPolarHBondContact O-CD 3.43Å; G170-R231 PolarHBondContact O-NH1 3.18Å
171	W	97.6	Very high	96	Very high	8 Å²	8	43.5 Å²	43.5	3%	0.03	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-97	-1.6	178.8	-69.8	-5.9	0	0	0	114.3	Q168 P169 S188 A189 P191 V204 R231 V232 T235 I237	Q168-W171 HydrophobicContact CB-CB 4.45Å; Q168-W171 HydrophobicContact CB-CD2 3.63Å; Q168-W171 HydrophobicContact CB-CE3 3.84Å; Q168-W171 HydrophobicContact CB-CG 3.91Å; Q168-W171 HydrophobicContact CB-CZ2 4.41Å; Q168-W171 HydrophobicContact CB-CZ3 4.32Å; Q168-W171 HydrophobicContact CG-CD2 3.92Å; Q168-W171 HydrophobicContact CG-CE3 3.87Å; Q168-W171 HydrophobicContact CG-CH2 3.8Å; Q168-W171 HydrophobicContact CG-CZ2 3.84Å; Q168-W171 HydrophobicContact CG-CZ3 3.82Å; Q168-W171 WeakPolarHBondContact O-CB 3.38Å; Q168-W171 PolarHBondContact O-N 3.17Å; Q168-W171 VanDerWaalsContact O-N 3.12Å; P169-W171 PolarHBondContact O-N 3.33Å; W171-S188 CarbonylContact O-C 3.57Å; W171-S188 WeakPolarHBondContact O-CA 3.33Å; W171-A189 HydrophobicContact CB-CB 3.97Å; W171-A189 VanDerWaalsContact CB-O 3.32Å; W171-A189 WeakPolarHBondContact CB-O 3.34Å; W171-A189 HydrophobicContact CD2-CB 4.21Å; W171-A189 HydrophobicContact CE3-CB 4.23Å; W171-A189 HydrophobicContact CG-CB 4.14Å; W171-A189 PolarHBondContact O-N 3.24Å; W171-P191 HydrophobicContact CZ3-CB 4.24Å; W171-V204 HydrophobicContact CE3-CG1 4.09Å; W171-V204 HydrophobicContact CH2-CG1 3.53Å; W171-V204 HydrophobicContact CZ2-CG1 3.97Å; W171-V204 HydrophobicContact CZ3-CG1 3.58Å; W171-R231 PolarHBondContact NE1-O 2.93Å; W171-V232 HydrophobicContact CD2-CG2 4.23Å; W171-V232 HydrophobicContact CG-CG2 4.32Å; W171-V232 HydrophobicContact CZ2-CG2 4.36Å; W171-T235 HydrophobicContact CZ2-CG2 4.02Å; W171-T235 WeakPolarHBondContact CZ2-OG1 3.32Å; W171-I237 HydrophobicContact CH2-CD1 3.82Å; W171-I237 HydrophobicContact CZ2-CD1 4.18Å
172	F	97.6	Very high	96	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	94.2	176.1	-46.8	-40.5	0	0	0	109.7	V122 T124 L162 W167 P169 F186 A189 I190	V122-F172 HydrophobicContact CB-CB 3.99Å; V122-F172 PolarHBondContact N-O 2.98Å; T124-F172 HydrophobicContact CG2-CD2 3.48Å; T124-F172 VanDerWaalsContact CG2-CD2 3.48Å; T124-F172 HydrophobicContact CG2-CE2 3.68Å; T124-F172 HydrophobicContact CG2-CG 4.32Å; L162-F172 HydrophobicContact CB-CE1 4.16Å; L162-F172 HydrophobicContact CB-CZ 4.12Å; L162-F172 HydrophobicContact CD2-CD1 3.92Å; L162-F172 HydrophobicContact CD2-CE1 3.91Å; L162-F172 WeakPolarHBondContact O-CZ 3.37Å; W167-F172 HydrophobicContact CB-CZ 4.33Å; W167-F172 HydrophobicContact CD2-CE2 4.41Å; W167-F172 AromaticContact CE3-CE2 3.46Å; W167-F172 HydrophobicContact CE3-CE2 3.46Å; W167-F172 VanDerWaalsContact CE3-CE2 3.46Å; W167-F172 AromaticContact CE3-CZ 3.84Å; W167-F172 HydrophobicContact CE3-CZ 3.84Å; W167-F172 AromaticContact CZ3-CE2 3.77Å; W167-F172 HydrophobicContact CZ3-CE2 3.77Å; P169-F172 PolarHBondContact O-N 3.42Å; F172-F186 HydrophobicContact CB-CE2 3.98Å; F172-F186 HydrophobicContact CB-CZ 4.15Å; F172-A189 WeakPolarHBondContact CE1-O 3.48Å; F172-I190 HydrophobicContact CE1-CG2 4.17Å
173	I	97.9	Very high	96	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	102.1	-161.2	-43.8	-179.4	0	0	0	110	W119 F186 I187 E227 V228 R231	W119-I173 HydrophobicContact CE3-CG2 3.53Å; W119-I173 HydrophobicContact CZ3-CG2 3.67Å; I173-F186 CarbonylContact O-C 3.57Å; I173-F186 WeakPolarHBondContact O-CA 3.21Å; I173-I187 HydrophobicContact CB-CG2 3.92Å; I173-I187 HydrophobicContact CD1-CG2 4.49Å; I173-I187 HydrophobicContact CG1-CG2 4.44Å; I173-I187 PolarHBondContact N-O 3.28Å; I173-I187 PolarHBondContact O-N 2.79Å; I173-E227 HydrophobicContact CD1-CG 4.15Å; I173-E227 HydrophobicContact CG2-CG 4.19Å; I173-V228 VanDerWaalsContact CD1-CA 3.49Å; I173-V228 HydrophobicContact CD1-CB 3.69Å; I173-V228 HydrophobicContact CD1-CG2 3.91Å; I173-R231 HydrophobicContact CD1-CG 4.41Å
174	G	97.1	Very high	96	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	153.9	169.4	0	0	0	0	0	112.7	S120 G185	S120-G174 PolarHBondContact N-O 2.97Å; S120-G174 WeakPolarHBondContact O-CA 3.44Å; S120-G174 PolarHBondContact O-N 3.34Å; G174-G185 CarbonylContact C-O 3.58Å; G174-G185 WeakPolarHBondContact CA-O 3.36Å
175	V	97.2	Very high	96	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.5	162.7	173.2	0	0	0	0	108	L113 F117 E118 W119 V184 G185 M220 L224	L113-V175 HydrophobicContact CD1-CG1 4.21Å; L113-V175 HydrophobicContact CD1-CG2 4.28Å; L113-V175 HydrophobicContact CD2-CG1 4.19Å; L113-V175 HydrophobicContact CD2-CG2 3.95Å; F117-V175 HydrophobicContact CB-CG1 4.05Å; F117-V175 HydrophobicContact CD1-CG1 4.07Å; F117-V175 HydrophobicContact CG-CG1 4.39Å; E118-V175 WeakPolarHBondContact O-CA 3.47Å; W119-V175 HydrophobicContact CE3-CG2 3.67Å; W119-V175 HydrophobicContact CH2-CG2 4.31Å; W119-V175 HydrophobicContact CZ3-CG2 3.49Å; W119-V175 VanDerWaalsContact CZ3-CG2 3.49Å; V175-V184 HydrophobicContact CG1-CG2 4.17Å; V175-V184 WeakPolarHBondContact O-CG2 3.39Å; V175-V184 PolarHBondContact O-N 3.26Å; V175-G185 PolarHBondContact N-O 2.85Å; V175-G185 PolarHBondContact O-N 3.45Å; V175-M220 HydrophobicContact CG1-CE 4.15Å; V175-M220 HydrophobicContact CG1-SD 4.18Å; V175-L224 HydrophobicContact CG2-CD2 3.93Å; V175-L224 HydrophobicContact CG2-CG 4.37Å
176	R	97.1	Very high	96	Very high	21 Å²	21	42.8 Å²	42.8	8%	0.079	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	154.4	178.1	-66	178.9	-179.7	-83.4	-0.4	110.9	F117 E118 S120 E132 K181 K182 M183	F117-R176 CarbonylContact C-O 3.56Å; F117-R176 VanDerWaalsContact CA-O 3.28Å; F117-R176 WeakPolarHBondContact CA-O 3.44Å; E118-R176 HydrophobicContact CG-CB 3.87Å; E118-R176 PolarHBondContact N-O 2.79Å; E118-R176 PolarHBondContact O-N 2.73Å; S120-R176 PolarHBondContact OG-NE 3.18Å; E132-R176 IonicContact OE2-CZ 2.92Å; E132-R176 IonicContact OE2-NH1 3.85Å; E132-R176 PolarHBondContact OE2-NH1 3.46Å; E132-R176 IonicContact OE2-NH2 2.88Å; E132-R176 PolarHBondContact OE2-NH2 3.28Å; R176-K181 WeakPolarHBondContact CD-O 3.26Å; R176-K181 WeakPolarHBondContact CG-O 3.39Å; R176-K181 PolarHBondContact NH1-O 3.37Å; R176-K182 WeakPolarHBondContact CA-O 3.39Å; R176-M183 HydrophobicContact CG-CB 4.45Å
177	V	96.2	Very high	96.1	Very high	39 Å²	39	40.5 Å²	40.5	24%	0.236	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	117.2	167.1	175.5	0	0	0	0	108.5	G116 F117 K179 S180 K181 K182 V184	G116-V177 CarbonylContact O-C 3.59Å; G116-V177 WeakPolarHBondContact O-CA 3.24Å; F117-V177 HydrophobicContact CD1-CG2 4.09Å; F117-V177 HydrophobicContact CE1-CG2 3.79Å; V177-K179 VanDerWaalsContact C-N 3.27Å; V177-K179 PolarHBondContact O-N 3.41Å; V177-K179 VanDerWaalsContact O-N 3.13Å; V177-S180 PolarHBondContact O-N 3.31Å; V177-S180 VanDerWaalsContact O-N 3.15Å; V177-K181 VanDerWaalsContact O-CA 3.3Å; V177-K181 WeakPolarHBondContact O-CA 3.1Å; V177-K181 PolarHBondContact O-N 3.23Å; V177-K182 PolarHBondContact N-O 3.4Å; V177-V184 HydrophobicContact CG2-CG1 3.83Å; V177-V184 HydrophobicContact CG2-CG2 3.99Å
178	S	95.4	Very high	96.2	Very high	37 Å²	37	37.2 Å²	37.2	26%	0.259	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.1	-167.4	-56.8	0	0	0	0	114.9	G116 E118 K181	G116-S178 PolarHBondContact O-N 2.95Å; E118-S178 WeakPolarHBondContact OE2-CA 3.44Å; E118-S178 WeakPolarHBondContact OE2-CB 3.35Å; E118-S178 PolarHBondContact OE2-OG 3.35Å; S178-K181 WeakPolarHBondContact O-CE 3.31Å
179	K	95	Very high	96.3	Very high	206 Å²	206	33.4 Å²	33.4	90%	0.896	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-31.6	179.9	-69.4	-171.2	176.8	-175.8	0	114.3	V177	V177-K179 VanDerWaalsContact C-N 3.27Å; V177-K179 PolarHBondContact O-N 3.41Å; V177-K179 VanDerWaalsContact O-N 3.13Å
180	S	95	Very high	96.5	Very high	77 Å²	77	30.2 Å²	30.2	54%	0.538	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-3.9	-173.3	62.5	0	0	0	0	113.9	V177 K182	V177-S180 PolarHBondContact O-N 3.31Å; V177-S180 VanDerWaalsContact O-N 3.15Å; S180-K182 PolarHBondContact O-N 2.94Å
181	K	95	Very high	96.6	Very high	109 Å²	109	30.3 Å²	30.3	47%	0.474	15%	0.153	S	C	.	.			trans	54.3	3.1	-175.1	-53.9	-58.3	-175.2	176	0	115.8	E118 R176 V177 S178 M183	E118-K181 WeakPolarHBondContact OE1-CD 3.05Å; E118-K181 WeakPolarHBondContact OE1-CE 3.44Å; E118-K181 IonicContact OE1-NZ 3.43Å; E118-K181 PolarHBondContact OE1-NZ 2.81Å; E118-K181 IonicContact OE2-NZ 2.66Å; E118-K181 PolarHBondContact OE2-NZ 3.07Å; R176-K181 WeakPolarHBondContact CD-O 3.26Å; R176-K181 WeakPolarHBondContact CG-O 3.39Å; R176-K181 PolarHBondContact NH1-O 3.37Å; V177-K181 VanDerWaalsContact O-CA 3.3Å; V177-K181 WeakPolarHBondContact O-CA 3.1Å; V177-K181 PolarHBondContact O-N 3.23Å; S178-K181 WeakPolarHBondContact O-CE 3.31Å; K181-M183 PolarHBondContact O-N 2.87Å
182	K	95.2	Very high	96.5	Very high	86 Å²	86	30.5 Å²	30.5	37%	0.374	16%	0.156	S	C	.	.			trans	-57.5	127.4	175	-179.9	173.8	-174.5	-177.9	0	109.9	E139 R176 V177 S180 V184 H212	E139-K182 IonicContact OE2-NZ 2.66Å; E139-K182 PolarHBondContact OE2-NZ 3.07Å; R176-K182 WeakPolarHBondContact CA-O 3.39Å; V177-K182 PolarHBondContact N-O 3.4Å; S180-K182 PolarHBondContact O-N 2.94Å; K182-V184 HydrophobicContact CG-CG1 4.3Å; K182-H212 PolarHBondContact NZ-CD2 3.21Å; K182-H212 PolarHBondContact NZ-NE2 3.01Å
183	M	96.2	Very high	96.5	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	132.5	169.6	-161	-169.9	-65.3	0	0	110.7	V122 E132 T133 L136 R176 K181 F186	V122-M183 HydrophobicContact CG2-CE 3.83Å; E132-M183 HydrophobicContact CB-CE 4.09Å; T133-M183 WeakPolarHBondContact OG1-CE 3.39Å; L136-M183 HydrophobicContact CD2-CG 4.02Å; L136-M183 HydrophobicContact CD2-SD 3.83Å; R176-M183 HydrophobicContact CG-CB 4.45Å; K181-M183 PolarHBondContact O-N 2.87Å; M183-F186 HydrophobicContact SD-CB 4.47Å
184	V	96.2	Very high	96.4	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	-4.3	-173.4	-68.1	0	0	0	0	114	F117 V175 V177 K182 H212 L215	F117-V184 HydrophobicContact CD1-CG2 4.05Å; F117-V184 HydrophobicContact CE1-CG2 3.99Å; V175-V184 HydrophobicContact CG1-CG2 4.17Å; V175-V184 WeakPolarHBondContact O-CG2 3.39Å; V175-V184 PolarHBondContact O-N 3.26Å; V177-V184 HydrophobicContact CG2-CG1 3.83Å; V177-V184 HydrophobicContact CG2-CG2 3.99Å; K182-V184 HydrophobicContact CG-CG1 4.3Å; V184-H212 HydrophobicContact CB-CB 4Å; V184-H212 HydrophobicContact CG1-CB 4.36Å; V184-H212 WeakPolarHBondContact O-CB 3.29Å; V184-H212 PolarHBondContact O-N 2.89Å; V184-L215 HydrophobicContact CB-CD1 3.68Å; V184-L215 HydrophobicContact CG1-CD1 4.35Å; V184-L215 HydrophobicContact CG2-CD1 3.66Å
185	G	96.5	Very high	96.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	153.9	167.3	0	0	0	0	0	110.2	G174 V175 C210	G174-G185 CarbonylContact C-O 3.58Å; G174-G185 WeakPolarHBondContact CA-O 3.36Å; V175-G185 PolarHBondContact N-O 2.85Å; V175-G185 PolarHBondContact O-N 3.45Å; G185-C210 CarbonylContact C-O 3.55Å; G185-C210 VanDerWaalsContact CA-O 3.23Å; G185-C210 WeakPolarHBondContact CA-O 3.16Å
186	F	97.6	Very high	96.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	151.5	176	-177.1	-115.2	0	0	0	109.8	V122 T133 L136 L162 F172 I173 M183 F208 L209 C210	V122-F186 HydrophobicContact CB-CE2 4.04Å; V122-F186 HydrophobicContact CG1-CE2 4.44Å; V122-F186 HydrophobicContact CG2-CD2 3.94Å; V122-F186 HydrophobicContact CG2-CE2 3.7Å; T133-F186 HydrophobicContact CG2-CD1 3.87Å; T133-F186 HydrophobicContact CG2-CD2 4.45Å; T133-F186 HydrophobicContact CG2-CE1 3.75Å; T133-F186 HydrophobicContact CG2-CE2 4.35Å; T133-F186 HydrophobicContact CG2-CG 4.23Å; T133-F186 HydrophobicContact CG2-CZ 4.01Å; L136-F186 HydrophobicContact CD2-CB 3.69Å; L162-F186 HydrophobicContact CD1-CZ 4.31Å; F172-F186 HydrophobicContact CB-CE2 3.98Å; F172-F186 HydrophobicContact CB-CZ 4.15Å; I173-F186 CarbonylContact O-C 3.57Å; I173-F186 WeakPolarHBondContact O-CA 3.21Å; M183-F186 HydrophobicContact SD-CB 4.47Å; F186-F208 HydrophobicContact CD1-CB 3.88Å; F186-F208 WeakPolarHBondContact CD1-O 3.32Å; F186-F208 HydrophobicContact CE1-CB 3.77Å; F186-L209 CarbonylContact O-C 3.56Å; F186-L209 WeakPolarHBondContact O-CA 3.39Å; F186-C210 PolarHBondContact N-O 3.01Å; F186-C210 PolarHBondContact O-N 2.94Å
187	I	97.5	Very high	96.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	148	165.6	-170.2	167.1	0	0	0	107.8	I173 I206 L209 L224 I225 V228	I173-I187 HydrophobicContact CB-CG2 3.92Å; I173-I187 HydrophobicContact CD1-CG2 4.49Å; I173-I187 HydrophobicContact CG1-CG2 4.44Å; I173-I187 PolarHBondContact N-O 3.28Å; I173-I187 PolarHBondContact O-N 2.79Å; I187-I206 HydrophobicContact CD1-CG2 3.81Å; I187-I206 HydrophobicContact CG1-CG2 3.88Å; I187-L209 HydrophobicContact CB-CD1 4.3Å; I187-L209 HydrophobicContact CD1-CB 4.32Å; I187-L209 HydrophobicContact CD1-CD1 4.17Å; I187-L209 HydrophobicContact CD1-CD2 4.41Å; I187-L209 HydrophobicContact CG1-CB 4.2Å; I187-L209 HydrophobicContact CG1-CD1 4.44Å; I187-L224 HydrophobicContact CB-CB 4.43Å; I187-L224 HydrophobicContact CB-CD2 4.29Å; I187-L224 HydrophobicContact CG2-CB 4.12Å; I187-L224 HydrophobicContact CG2-CD2 3.75Å; I187-I225 HydrophobicContact CD1-CG1 4.1Å; I187-V228 HydrophobicContact CD1-CB 4.42Å; I187-V228 HydrophobicContact CD1-CG1 3.66Å; I187-V228 HydrophobicContact CG1-CG1 4.32Å; I187-V228 HydrophobicContact CG2-CB 4.14Å; I187-V228 HydrophobicContact CG2-CG1 4.5Å
188	S	97.4	Very high	95.9	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.014	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.7	176.8	67.6	0	0	0	0	111.6	W171 I206 N207 F208	W171-S188 CarbonylContact O-C 3.57Å; W171-S188 WeakPolarHBondContact O-CA 3.33Å; S188-I206 WeakPolarHBondContact O-CA 3.47Å; S188-N207 PolarHBondContact N-O 2.83Å; S188-N207 PolarHBondContact O-N 3.18Å; S188-N207 VanDerWaalsContact OG-C 3.29Å; S188-N207 PolarHBondContact OG-O 3.08Å; S188-F208 WeakPolarHBondContact OG-CD2 3.49Å
189	A	97.4	Very high	95.8	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140.5	161.1	0	0	0	0	0	110.1	W171 F172 V204 E205 I206 V228 V232	W171-A189 HydrophobicContact CB-CB 3.97Å; W171-A189 VanDerWaalsContact CB-O 3.32Å; W171-A189 WeakPolarHBondContact CB-O 3.34Å; W171-A189 HydrophobicContact CD2-CB 4.21Å; W171-A189 HydrophobicContact CE3-CB 4.23Å; W171-A189 HydrophobicContact CG-CB 4.14Å; W171-A189 PolarHBondContact O-N 3.24Å; F172-A189 WeakPolarHBondContact CE1-O 3.48Å; A189-V204 HydrophobicContact CB-CB 4.05Å; A189-V204 HydrophobicContact CB-CG1 4.38Å; A189-V204 HydrophobicContact CB-CG2 4.15Å; A189-E205 CarbonylContact C-O 3.47Å; A189-E205 VanDerWaalsContact CA-O 3.25Å; A189-E205 WeakPolarHBondContact CA-O 3.32Å; A189-I206 HydrophobicContact CB-CD1 3.54Å; A189-V228 HydrophobicContact CB-CG2 3.74Å; A189-V232 HydrophobicContact CB-CG2 4.05Å
190	I	97.1	Very high	95.8	Very high	11 Å²	11	38.1 Å²	38.1	6%	0.056	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.9	174.4	62.6	-177.4	0	0	0	109.7	A161 P164 F172 V204 E205 W335	A161-I190 WeakPolarHBondContact O-CD1 3.4Å; P164-I190 HydrophobicContact CG-CB 3.9Å; P164-I190 HydrophobicContact CG-CD1 4.28Å; P164-I190 HydrophobicContact CG-CG1 4.49Å; P164-I190 HydrophobicContact CG-CG2 4.26Å; F172-I190 HydrophobicContact CE1-CG2 4.17Å; I190-V204 CarbonylContact O-C 3.59Å; I190-V204 VanDerWaalsContact O-CA 3.24Å; I190-V204 WeakPolarHBondContact O-CA 3.25Å; I190-V204 WeakPolarHBondContact O-CB 3.18Å; I190-E205 HydrophobicContact CD1-CB 4.36Å; I190-E205 HydrophobicContact CD1-CG 4.17Å; I190-E205 HydrophobicContact CG1-CB 3.76Å; I190-E205 HydrophobicContact CG1-CG 4.02Å; I190-E205 PolarHBondContact N-O 2.94Å; I190-E205 PolarHBondContact O-N 2.69Å; I190-W335 HydrophobicContact CD1-CH2 4.04Å; I190-W335 HydrophobicContact CD1-CZ2 4.11Å
191	P	97	Very high	95.8	Very high	27 Å²	27	35.1 Å²	35.1	18%	0.175	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	144.4	178.8	31.2	-38.2	0	0	0	111	P164 P165 W171	P164-P191 HydrophobicContact CG-CG 4.46Å; P165-P191 WeakPolarHBondContact O-CG 3.33Å; W171-P191 HydrophobicContact CZ3-CB 4.24Å
192	A	95.6	Very high	95.8	Very high	12 Å²	12	37.6 Å²	37.6	10%	0.099	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	134	167.4	0	0	0	0	0	110.9	I194 M203	A192-I194 HydrophobicContact CB-CD1 3.8Å; A192-I194 HydrophobicContact CB-CG1 3.92Å; A192-M203 PolarHBondContact N-O 2.67Å; A192-M203 PolarHBondContact O-N 2.79Å
193	T	96.4	Very high	95.8	Very high	38 Å²	38	33.6 Å²	33.6	23%	0.233	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	115.5	162.4	-53	0	0	0	0	107.9	M201 P325 V326	T193-M201 CarbonylContact C-O 3.6Å; T193-M201 WeakPolarHBondContact CA-O 3.32Å; T193-P325 CarbonylContact O-C 3.43Å; T193-P325 WeakPolarHBondContact O-CA 3.11Å; T193-V326 HydrophobicContact CG2-CB 3.96Å; T193-V326 HydrophobicContact CG2-CG2 4.49Å; T193-V326 PolarHBondContact O-N 3.06Å
194	I	95.6	Very high	95.9	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132	-178.1	-55.7	-61.6	0	0	0	109.2	A192 V196 M201 M203 V241 L323 A324 P325 K453	A192-I194 HydrophobicContact CB-CD1 3.8Å; A192-I194 HydrophobicContact CB-CG1 3.92Å; I194-V196 HydrophobicContact CG2-CG2 4.22Å; I194-M201 PolarHBondContact N-O 3.2Å; I194-M201 PolarHBondContact O-N 2.79Å; I194-M203 HydrophobicContact CB-CE 3.92Å; I194-M203 HydrophobicContact CB-CG 3.96Å; I194-M203 HydrophobicContact CB-SD 3.63Å; I194-M203 HydrophobicContact CG1-CG 3.65Å; I194-M203 HydrophobicContact CG1-SD 3.59Å; I194-M203 VanDerWaalsContact CG1-SD 3.59Å; I194-M203 HydrophobicContact CG2-CE 4.32Å; I194-M203 HydrophobicContact CG2-SD 4.14Å; I194-V241 HydrophobicContact CD1-CG1 4.42Å; I194-V241 HydrophobicContact CG1-CG1 4.03Å; I194-L323 HydrophobicContact CG2-CD1 3.54Å; I194-A324 CarbonylContact C-O 3.59Å; I194-A324 WeakPolarHBondContact CA-O 3.49Å; I194-P325 HydrophobicContact CD1-CB 4.13Å; I194-K453 HydrophobicContact CD1-CD 4.35Å
195	R	95.7	Very high	95.8	Very high	43 Å²	43	33.5 Å²	33.5	16%	0.162	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.4	168.8	-176.6	176.2	57.3	72.2	3.4	109.8	Y197 R199 A200 L318 F321 L323 A324 V326	R195-Y197 VanDerWaalsContact CG-O 3.3Å; R195-Y197 WeakPolarHBondContact CG-O 3.38Å; R195-Y197 PolarHBondContact NH1-O 2.77Å; R195-R199 WeakPolarHBondContact CA-O 3.1Å; R195-A200 HydrophobicContact CB-CB 4.43Å; R195-L318 PolarHBondContact NH2-O 2.66Å; R195-F321 VanDerWaalsContact CZ-O 3.24Å; R195-F321 PolarHBondContact NH1-O 2.93Å; R195-F321 PolarHBondContact NH2-O 3.43Å; R195-L323 WeakPolarHBondContact O-CA 3.11Å; R195-A324 PolarHBondContact N-O 3.44Å; R195-A324 PolarHBondContact O-N 3.39Å; R195-V326 HydrophobicContact CB-CG2 4.05Å
196	V	95.4	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.7	173.1	-169.8	0	0	0	0	107.5	I194 N198 R199 M201 M203 D322 L323 L438 C443 M446	I194-V196 HydrophobicContact CG2-CG2 4.22Å; V196-N198 PolarHBondContact O-N 3.07Å; V196-N198 VanDerWaalsContact O-N 3.08Å; V196-R199 PolarHBondContact N-O 2.93Å; V196-R199 PolarHBondContact O-N 2.7Å; V196-M201 HydrophobicContact CB-CE 4Å; V196-M201 HydrophobicContact CG2-CE 3.62Å; V196-M203 HydrophobicContact CG2-CE 4.29Å; V196-D322 CarbonylContact C-O 3.54Å; V196-D322 WeakPolarHBondContact CA-O 2.89Å; V196-L323 HydrophobicContact CG2-CD1 4.01Å; V196-L438 HydrophobicContact CG1-CD1 3.95Å; V196-L438 HydrophobicContact CG2-CD1 3.97Å; V196-C443 HydrophobicContact CG1-CB 4.13Å; V196-M446 HydrophobicContact CG1-CE 4.01Å
197	Y	94.4	Very high	95.6	Very high	57 Å²	57	35.9 Å²	35.9	22%	0.224	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	-107.9	-163.5	-65.6	-78.1	0	0	0	112	R195 D322 C443 P444 E445 M446	R195-Y197 VanDerWaalsContact CG-O 3.3Å; R195-Y197 WeakPolarHBondContact CG-O 3.38Å; R195-Y197 PolarHBondContact NH1-O 2.77Å; Y197-D322 HydrophobicContact CD1-CB 3.63Å; Y197-D322 HydrophobicContact CE1-CB 3.65Å; Y197-D322 HydrophobicContact CG-CB 4.33Å; Y197-D322 PolarHBondContact N-O 3.46Å; Y197-C443 HydrophobicContact CD2-CB 4.23Å; Y197-C443 HydrophobicContact CE2-CB 3.87Å; Y197-P444 HydrophobicContact CE2-CG 4.46Å; Y197-P444 PolarHBondContact OH-O 3.23Å; Y197-E445 PolarHBondContact OH-O 3.23Å; Y197-M446 HydrophobicContact CD2-CE 3.76Å; Y197-M446 HydrophobicContact CE1-CE 4.21Å; Y197-M446 HydrophobicContact CE1-CG 4.48Å; Y197-M446 HydrophobicContact CE2-CE 3.33Å; Y197-M446 HydrophobicContact CG-CE 4.36Å; Y197-M446 WeakPolarHBondContact OH-CG 3.47Å
198	N	91.6	Very high	95.5	Very high	146 Å²	146	36 Å²	36	78%	0.781	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-4.9	-178	61.6	-6.6	0	0	0	114.3	V196	V196-N198 PolarHBondContact O-N 3.07Å; V196-N198 VanDerWaalsContact O-N 3.08Å
199	R	94	Very high	95.4	Very high	117 Å²	117	38.9 Å²	38.9	44%	0.442	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.8	-172.4	-174.5	179.7	163.8	151.9	-5.4	111.9	R195 V196 M201 W441	R195-R199 WeakPolarHBondContact CA-O 3.1Å; V196-R199 PolarHBondContact N-O 2.93Å; V196-R199 PolarHBondContact O-N 2.7Å; R199-M201 HydrophobicContact CG-CG 3.84Å; R199-M201 HydrophobicContact CG-SD 4.23Å; R199-M201 PolarHBondContact NE-SD 2.97Å; R199-W441 VanDerWaalsContact CD-CH2 3.46Å
200	A	94.6	Very high	95.3	Very high	62 Å²	62	39 Å²	39	51%	0.512	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	136.5	166.5	0	0	0	0	0	110.8	R195	R195-A200 HydrophobicContact CB-CB 4.43Å
201	M	94.7	Very high	95.2	Very high	13 Å²	13	39.4 Å²	39.4	6%	0.064	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	141.7	-177.3	-61.9	-176.6	-77.7	0	0	110.7	T193 I194 V196 R199 M203 W441	T193-M201 CarbonylContact C-O 3.6Å; T193-M201 WeakPolarHBondContact CA-O 3.32Å; I194-M201 PolarHBondContact N-O 3.2Å; I194-M201 PolarHBondContact O-N 2.79Å; V196-M201 HydrophobicContact CB-CE 4Å; V196-M201 HydrophobicContact CG2-CE 3.62Å; R199-M201 HydrophobicContact CG-CG 3.84Å; R199-M201 HydrophobicContact CG-SD 4.23Å; R199-M201 PolarHBondContact NE-SD 2.97Å; M201-M203 HydrophobicContact CB-CE 4.21Å; M201-M203 HydrophobicContact CE-CE 3.86Å; M201-W441 HydrophobicContact CE-CD2 3.68Å; M201-W441 HydrophobicContact CE-CE3 3.81Å; M201-W441 HydrophobicContact CE-CG 4.34Å; M201-W441 HydrophobicContact CE-CH2 3.98Å; M201-W441 HydrophobicContact CE-CZ2 3.82Å; M201-W441 HydrophobicContact CE-CZ3 3.95Å; M201-W441 HydrophobicContact SD-CD2 4.15Å; M201-W441 HydrophobicContact SD-CE3 3.63Å; M201-W441 HydrophobicContact SD-CH2 3.6Å; M201-W441 HydrophobicContact SD-CZ2 4.08Å; M201-W441 HydrophobicContact SD-CZ3 3.32Å; M201-W441 WeakPolarHBondContact SD-CZ3 3.28Å
202	K	95.3	Very high	95.1	Very high	162 Å²	162	39.3 Å²	39.3	70%	0.704	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	121.6	163.9	-67	-175.7	178.7	-176.1	0	108
203	M	95.9	Very high	94.8	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	-179.1	176.3	59.5	174.9	67.9	0	0	109.3	A192 I194 V196 M201 Q239 V241 L438	A192-M203 PolarHBondContact N-O 2.67Å; A192-M203 PolarHBondContact O-N 2.79Å; I194-M203 HydrophobicContact CB-CE 3.92Å; I194-M203 HydrophobicContact CB-CG 3.96Å; I194-M203 HydrophobicContact CB-SD 3.63Å; I194-M203 HydrophobicContact CG1-CG 3.65Å; I194-M203 HydrophobicContact CG1-SD 3.59Å; I194-M203 VanDerWaalsContact CG1-SD 3.59Å; I194-M203 HydrophobicContact CG2-CE 4.32Å; I194-M203 HydrophobicContact CG2-SD 4.14Å; V196-M203 HydrophobicContact CG2-CE 4.29Å; M201-M203 HydrophobicContact CB-CE 4.21Å; M201-M203 HydrophobicContact CE-CE 3.86Å; M203-Q239 HydrophobicContact CB-CB 4.14Å; M203-Q239 VanDerWaalsContact CB-O 3.32Å; M203-Q239 WeakPolarHBondContact CB-O 3.49Å; M203-Q239 HydrophobicContact CE-CB 4.39Å; M203-V241 HydrophobicContact SD-CB 3.84Å; M203-V241 HydrophobicContact SD-CG1 3.87Å; M203-L438 HydrophobicContact SD-CD2 4.41Å
204	V	97.1	Very high	94.5	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	152.6	167.2	-60.9	0	0	0	0	112	W171 A189 I190 I206 V232 I237 Q239 A240 V241	W171-V204 HydrophobicContact CE3-CG1 4.09Å; W171-V204 HydrophobicContact CH2-CG1 3.53Å; W171-V204 HydrophobicContact CZ2-CG1 3.97Å; W171-V204 HydrophobicContact CZ3-CG1 3.58Å; A189-V204 HydrophobicContact CB-CB 4.05Å; A189-V204 HydrophobicContact CB-CG1 4.38Å; A189-V204 HydrophobicContact CB-CG2 4.15Å; I190-V204 CarbonylContact O-C 3.59Å; I190-V204 VanDerWaalsContact O-CA 3.24Å; I190-V204 WeakPolarHBondContact O-CA 3.25Å; I190-V204 WeakPolarHBondContact O-CB 3.18Å; V204-I206 HydrophobicContact CG2-CD1 3.65Å; V204-I206 HydrophobicContact CG2-CG1 4.41Å; V204-V232 HydrophobicContact CB-CG1 4.37Å; V204-V232 HydrophobicContact CG1-CG1 3.65Å; V204-V232 HydrophobicContact CG1-CG2 4.02Å; V204-V232 HydrophobicContact CG2-CG1 3.78Å; V204-V232 HydrophobicContact CG2-CG2 4.05Å; V204-I237 HydrophobicContact CG1-CD1 4.35Å; V204-I237 HydrophobicContact CG1-CG2 4.3Å; V204-Q239 PolarHBondContact N-O 3.38Å; V204-A240 HydrophobicContact CG2-CB 3.57Å; V204-A240 CarbonylContact O-C 3.48Å; V204-A240 WeakPolarHBondContact O-CA 3.3Å; V204-A240 WeakPolarHBondContact O-CB 3.39Å; V204-V241 PolarHBondContact O-N 3.07Å
205	E	95.6	Very high	94.3	Very high	8 Å²	8	49.9 Å²	49.9	4%	0.037	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.4	162.8	164.3	159.3	-142.8	0	0	109.4	A189 I190 V241 K453 Y455	A189-E205 CarbonylContact C-O 3.47Å; A189-E205 VanDerWaalsContact CA-O 3.25Å; A189-E205 WeakPolarHBondContact CA-O 3.32Å; I190-E205 HydrophobicContact CD1-CB 4.36Å; I190-E205 HydrophobicContact CD1-CG 4.17Å; I190-E205 HydrophobicContact CG1-CB 3.76Å; I190-E205 HydrophobicContact CG1-CG 4.02Å; I190-E205 PolarHBondContact N-O 2.94Å; I190-E205 PolarHBondContact O-N 2.69Å; E205-V241 WeakPolarHBondContact CA-O 3.41Å; E205-V241 HydrophobicContact CB-CG1 4.21Å; E205-K453 WeakPolarHBondContact OE1-CE 3.17Å; E205-K453 IonicContact OE1-NZ 2.73Å; E205-K453 PolarHBondContact OE1-NZ 3.03Å; E205-K453 WeakPolarHBondContact OE2-CE 3.21Å; E205-K453 IonicContact OE2-NZ 2.83Å; E205-K453 PolarHBondContact OE2-NZ 2.74Å; E205-Y455 WeakPolarHBondContact OE1-CD2 3.32Å
206	I	96.7	Very high	93.9	Very high	30 Å²	30	52.4 Å²	52.4	15%	0.154	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126	176	-51.6	-58.1	0	0	0	109.1	I187 S188 A189 V204 V228 A240 V241	I187-I206 HydrophobicContact CD1-CG2 3.81Å; I187-I206 HydrophobicContact CG1-CG2 3.88Å; S188-I206 WeakPolarHBondContact O-CA 3.47Å; A189-I206 HydrophobicContact CB-CD1 3.54Å; V204-I206 HydrophobicContact CG2-CD1 3.65Å; V204-I206 HydrophobicContact CG2-CG1 4.41Å; I206-V228 HydrophobicContact CD1-CG1 4.17Å; I206-V228 HydrophobicContact CD1-CG2 4.26Å; I206-A240 HydrophobicContact CD1-CB 4.46Å; I206-A240 HydrophobicContact CG1-CB 4.04Å; I206-V241 PolarHBondContact N-O 3.1Å
207	N	93.7	Very high	93.4	Very high	20 Å²	20	56 Å²	56	11%	0.107	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	176.6	173.1	-155.2	-11.7	0	0	0	111.7	Y141 S188 L209 A456	Y141-N207 PolarHBondContact OH-OD1 2.8Å; Y141-N207 VanDerWaalsContact OH-OD1 3.05Å; S188-N207 PolarHBondContact N-O 2.83Å; S188-N207 PolarHBondContact O-N 3.18Å; S188-N207 VanDerWaalsContact OG-C 3.29Å; S188-N207 PolarHBondContact OG-O 3.08Å; N207-L209 VanDerWaalsContact C-N 3.27Å; N207-L209 PolarHBondContact O-N 2.71Å; N207-A456 PolarHBondContact OD1-OXT 3.49Å
208	F	94.2	Very high	93.1	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.018	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	59.2	28.8	175.5	-52.4	-62.2	0	0	0	114.9	L137 Y141 Y153 L158 A161 L162 F186 S188 C210	L137-F208 HydrophobicContact CD1-CD1 4.15Å; L137-F208 HydrophobicContact CD1-CG 4.5Å; L137-F208 HydrophobicContact CD2-CB 4.38Å; Y141-F208 HydrophobicContact CE1-CD1 4.42Å; Y141-F208 WeakPolarHBondContact OH-CA 3.14Å; Y141-F208 PolarHBondContact OH-N 3.08Å; Y153-F208 AromaticContact CD1-CE1 3.88Å; Y153-F208 HydrophobicContact CD1-CE1 3.88Å; Y153-F208 HydrophobicContact CD1-CZ 4.38Å; Y153-F208 HydrophobicContact CD2-CE1 4.33Å; Y153-F208 AromaticContact CE1-CE1 3.79Å; Y153-F208 HydrophobicContact CE1-CE1 3.79Å; Y153-F208 HydrophobicContact CE1-CZ 4.38Å; Y153-F208 HydrophobicContact CE2-CE1 4.26Å; Y153-F208 HydrophobicContact CG-CE1 4.15Å; Y153-F208 AromaticContact CZ-CE1 4Å; L158-F208 HydrophobicContact CD2-CD1 4.16Å; L158-F208 HydrophobicContact CD2-CE1 3.82Å; L158-F208 HydrophobicContact CD2-CE2 4.33Å; L158-F208 HydrophobicContact CD2-CZ 3.92Å; A161-F208 HydrophobicContact CB-CE2 3.88Å; A161-F208 HydrophobicContact CB-CZ 3.95Å; L162-F208 HydrophobicContact CD2-CD2 3.94Å; L162-F208 HydrophobicContact CD2-CE2 4.2Å; F186-F208 HydrophobicContact CD1-CB 3.88Å; F186-F208 WeakPolarHBondContact CD1-O 3.32Å; F186-F208 HydrophobicContact CE1-CB 3.77Å; S188-F208 WeakPolarHBondContact OG-CD2 3.49Å; F208-C210 PolarHBondContact O-N 3.42Å
209	L	95.7	Very high	92.9	Very high	62 Å²	62	59.6 Å²	59.6	33%	0.325	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	101	172.1	171.8	51	0	0	0	110.3	F186 I187 N207 A221 L224 I225	F186-L209 CarbonylContact O-C 3.56Å; F186-L209 WeakPolarHBondContact O-CA 3.39Å; I187-L209 HydrophobicContact CB-CD1 4.3Å; I187-L209 HydrophobicContact CD1-CB 4.32Å; I187-L209 HydrophobicContact CD1-CD1 4.17Å; I187-L209 HydrophobicContact CD1-CD2 4.41Å; I187-L209 HydrophobicContact CG1-CB 4.2Å; I187-L209 HydrophobicContact CG1-CD1 4.44Å; N207-L209 VanDerWaalsContact C-N 3.27Å; N207-L209 PolarHBondContact O-N 2.71Å; L209-A221 HydrophobicContact CD1-CB 4.22Å; L209-A221 HydrophobicContact CD2-CB 4.45Å; L209-L224 HydrophobicContact CD1-CB 4.23Å; L209-L224 HydrophobicContact CD1-CD1 3.96Å; L209-I225 HydrophobicContact CD2-CD1 3.95Å; L209-I225 HydrophobicContact CD2-CG1 4.02Å
210	C	95.3	Very high	92.8	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.014	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.5	-179.3	-168.1	0	0	0	0	111.3	L136 L137 N140 Y141 G185 F186 F208	L136-C210 HydrophobicContact CD2-CB 4.34Å; L136-C210 HydrophobicContact CG-CB 4.42Å; L137-C210 HydrophobicContact CD2-CB 3.7Å; N140-C210 PolarHBondContact O-SG 2.86Å; Y141-C210 HydrophobicContact CD2-CB 4Å; G185-C210 CarbonylContact C-O 3.55Å; G185-C210 VanDerWaalsContact CA-O 3.23Å; G185-C210 WeakPolarHBondContact CA-O 3.16Å; F186-C210 PolarHBondContact N-O 3.01Å; F186-C210 PolarHBondContact O-N 2.94Å; F208-C210 PolarHBondContact O-N 3.42Å
211	V	95	Very high	92.7	Very high	20 Å²	20	53 Å²	53	12%	0.121	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.8	166.7	177.8	0	0	0	0	108.1	K213 L215 M220 A221 L224	V211-K213 PolarHBondContact O-N 3.48Å; V211-L215 HydrophobicContact CG1-CB 3.91Å; V211-M220 HydrophobicContact CG1-CB 4.04Å; V211-M220 HydrophobicContact CG1-CG 4.36Å; V211-M220 HydrophobicContact CG2-CB 4.15Å; V211-M220 HydrophobicContact CG2-CG 4.27Å; V211-A221 HydrophobicContact CG2-CB 4.13Å; V211-L224 HydrophobicContact CG2-CD1 3.93Å
212	H	93.6	Very high	92.7	Very high	24 Å²	24	53.3 Å²	53.3	11%	0.111	25%	0.251	C	S	.	.			trans	-52.9	135.9	179.8	180	-83.5	0	0	0	111.1	L136 N140 K182 V184 K214 L215 R216	L136-H212 HydrophobicContact CD1-CB 3.94Å; N140-H212 WeakPolarHBondContact OD1-CA 3.49Å; K182-H212 PolarHBondContact NZ-CD2 3.21Å; K182-H212 PolarHBondContact NZ-NE2 3.01Å; V184-H212 HydrophobicContact CB-CB 4Å; V184-H212 HydrophobicContact CG1-CB 4.36Å; V184-H212 WeakPolarHBondContact O-CB 3.29Å; V184-H212 PolarHBondContact O-N 2.89Å; H212-K214 VanDerWaalsContact C-N 3.29Å; H212-K214 PolarHBondContact O-N 3.43Å; H212-L215 WeakPolarHBondContact O-CA 3.2Å; H212-L215 PolarHBondContact O-N 3.18Å; H212-R216 PolarHBondContact O-N 2.92Å
213	K	90.9	Very high	92.6	Very high	75 Å²	75	46.3 Å²	46.3	33%	0.326	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-48.2	-45	-167.4	-79	162.6	171.9	165.6	0	114	E139 N140 E143 V211 L215 R216	E139-K213 WeakPolarHBondContact O-CE 3.18Å; E139-K213 PolarHBondContact O-NZ 3.15Å; N140-K213 HydrophobicContact CB-CG 4.45Å; N140-K213 WeakPolarHBondContact OD1-CG 3.33Å; N140-K213 PolarHBondContact OD1-N 3.44Å; E143-K213 IonicContact OE1-NZ 3.23Å; E143-K213 PolarHBondContact OE1-NZ 3.13Å; E143-K213 WeakPolarHBondContact OE2-CE 3.36Å; E143-K213 IonicContact OE2-NZ 3.37Å; E143-K213 PolarHBondContact OE2-NZ 2.97Å; V211-K213 PolarHBondContact O-N 3.48Å; K213-L215 PolarHBondContact O-N 3.49Å; K213-L215 VanDerWaalsContact O-N 3.07Å; K213-R216 WeakPolarHBondContact O-CB 3.19Å; K213-R216 PolarHBondContact O-N 2.81Å; K213-R216 VanDerWaalsContact O-N 3.13Å
214	K	90.6	Very high	92.6	Very high	175 Å²	175	46.2 Å²	46.2	76%	0.761	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-63.6	-8.5	177.7	-60	-167.9	177.1	-169.3	0	115.8	H212	H212-K214 VanDerWaalsContact C-N 3.29Å; H212-K214 PolarHBondContact O-N 3.43Å
215	L	90.3	Very high	92.6	Very high	24 Å²	24	47 Å²	47	13%	0.126	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-119.1	2.3	177.5	-57	-178.4	0	0	0	113.4	F117 V184 V211 H212 K213 K218 M220	F117-L215 HydrophobicContact CE1-CD1 3.58Å; F117-L215 HydrophobicContact CE1-CD2 4.43Å; F117-L215 HydrophobicContact CZ-CD1 3.93Å; F117-L215 HydrophobicContact CZ-CD2 4Å; V184-L215 HydrophobicContact CB-CD1 3.68Å; V184-L215 HydrophobicContact CG1-CD1 4.35Å; V184-L215 HydrophobicContact CG2-CD1 3.66Å; V211-L215 HydrophobicContact CG1-CB 3.91Å; H212-L215 WeakPolarHBondContact O-CA 3.2Å; H212-L215 PolarHBondContact O-N 3.18Å; K213-L215 PolarHBondContact O-N 3.49Å; K213-L215 VanDerWaalsContact O-N 3.07Å; L215-K218 HydrophobicContact CD2-CD 4.29Å; L215-K218 WeakPolarHBondContact O-CB 3.23Å; L215-K218 PolarHBondContact O-N 2.88Å; L215-M220 HydrophobicContact CD1-CE 4.01Å
216	R	88.1	Confident	92.7	Very high	96 Å²	96	50.3 Å²	50.3	36%	0.362	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	153.8	170.4	-68.4	179.8	-178.9	178.8	-1.4	109.5	N140 Y141 E143 H212 K213 K218	N140-R216 PolarHBondContact O-NH2 2.71Å; Y141-R216 PolarHBondContact O-NH2 2.6Å; E143-R216 IonicContact OE2-NH1 2.8Å; E143-R216 IonicContact OE2-NH2 2.8Å; H212-R216 PolarHBondContact O-N 2.92Å; K213-R216 WeakPolarHBondContact O-CB 3.19Å; K213-R216 PolarHBondContact O-N 2.81Å; K213-R216 VanDerWaalsContact O-N 3.13Å; R216-K218 PolarHBondContact O-N 3.04Å
217	S	84.3	Confident	92.8	Very high	76 Å²	76	48.9 Å²	48.9	53%	0.531	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	-16.1	-170.6	-54.7	0	0	0	0	117.2	R219	S217-R219 PolarHBondContact O-N 3.12Å
218	K	87.8	Confident	92.9	Very high	150 Å²	150	48.1 Å²	48.1	65%	0.652	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	32.2	178.7	-54.5	-167.2	-179.1	-171.3	0	114.6	L215 R216 M220	L215-K218 HydrophobicContact CD2-CD 4.29Å; L215-K218 WeakPolarHBondContact O-CB 3.23Å; L215-K218 PolarHBondContact O-N 2.88Å; R216-K218 PolarHBondContact O-N 3.04Å; K218-M220 PolarHBondContact O-N 3.05Å
219	R	87.9	Confident	93.1	Very high	127 Å²	127	49 Å²	49	48%	0.479	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	15.5	177.6	-56.9	-66.8	-73.3	-135.4	-9	117.1	S217 A221 P222	S217-R219 PolarHBondContact O-N 3.12Å; R219-A221 PolarHBondContact O-N 3.12Å; R219-P222 VanDerWaalsContact O-CD 3.27Å; R219-P222 WeakPolarHBondContact O-CD 3.4Å
220	M	90.7	Very high	93.2	Very high	10 Å²	10	47 Å²	47	5%	0.049	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-42.3	-179	-168.8	68.9	83.7	0	0	113.6	L113 F117 V175 V211 L215 K218 V223 L224	L113-M220 HydrophobicContact CD2-SD 4.05Å; F117-M220 HydrophobicContact CD1-CE 4Å; F117-M220 HydrophobicContact CD2-CE 4.34Å; F117-M220 HydrophobicContact CE1-CE 4Å; F117-M220 HydrophobicContact CE2-CE 4.33Å; F117-M220 HydrophobicContact CG-CE 4.18Å; F117-M220 HydrophobicContact CZ-CE 4.17Å; V175-M220 HydrophobicContact CG1-CE 4.15Å; V175-M220 HydrophobicContact CG1-SD 4.18Å; V211-M220 HydrophobicContact CG1-CB 4.04Å; V211-M220 HydrophobicContact CG1-CG 4.36Å; V211-M220 HydrophobicContact CG2-CB 4.15Å; V211-M220 HydrophobicContact CG2-CG 4.27Å; L215-M220 HydrophobicContact CD1-CE 4.01Å; K218-M220 PolarHBondContact O-N 3.05Å; M220-V223 WeakPolarHBondContact O-CA 3.45Å; M220-V223 WeakPolarHBondContact O-CB 3.47Å; M220-V223 PolarHBondContact O-N 2.93Å; M220-L224 HydrophobicContact CG-CD1 4.2Å; M220-L224 PolarHBondContact O-N 2.9Å; M220-L224 VanDerWaalsContact O-N 3.07Å
221	A	93.3	Very high	93.3	Very high	30 Å²	30	48.3 Å²	48.3	25%	0.248	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-46.3	-179	0	0	0	0	0	113.5	L209 V211 R219 V223 L224 I225	L209-A221 HydrophobicContact CD1-CB 4.22Å; L209-A221 HydrophobicContact CD2-CB 4.45Å; V211-A221 HydrophobicContact CG2-CB 4.13Å; R219-A221 PolarHBondContact O-N 3.12Å; A221-V223 PolarHBondContact O-N 3.23Å; A221-V223 VanDerWaalsContact O-N 3.12Å; A221-L224 WeakPolarHBondContact O-CB 3.31Å; A221-L224 PolarHBondContact O-N 2.91Å; A221-I225 VanDerWaalsContact O-CG1 3.31Å; A221-I225 WeakPolarHBondContact O-CG1 3.21Å; A221-I225 PolarHBondContact O-N 3.26Å
222	P	94.1	Very high	93.5	Very high	20 Å²	20	47.6 Å²	47.6	13%	0.13	22%	0.221	C	C	.	.	H	α-helix	trans	-52.2	-23.8	166.5	-34.2	36	0	0	0	117	F78 R219 R226	F78-P222 HydrophobicContact CB-CB 4.28Å; F78-P222 HydrophobicContact CB-CG 3.98Å; F78-P222 HydrophobicContact CD1-CB 4.3Å; F78-P222 HydrophobicContact CD1-CG 4.18Å; F78-P222 HydrophobicContact CD2-CB 3.7Å; F78-P222 HydrophobicContact CD2-CG 4.28Å; F78-P222 HydrophobicContact CE2-CB 4.12Å; F78-P222 HydrophobicContact CG-CB 3.8Å; F78-P222 HydrophobicContact CG-CG 3.85Å; R219-P222 VanDerWaalsContact O-CD 3.27Å; R219-P222 WeakPolarHBondContact O-CD 3.4Å; P222-R226 WeakPolarHBondContact O-CG 3.2Å; P222-R226 VanDerWaalsContact O-CZ 3.25Å; P222-R226 PolarHBondContact O-NE 3.08Å; P222-R226 PolarHBondContact O-NH1 3.06Å
223	V	94.7	Very high	93.7	Very high	16 Å²	16	47.7 Å²	47.7	10%	0.097	22%	0.222	C	C	.	.	H	α-helix	trans	-83.3	-46.4	175.3	-164.9	0	0	0	0	110.3	L113 W119 M220 A221 I225 R226 E227	L113-V223 HydrophobicContact CD2-CG1 4.03Å; W119-V223 HydrophobicContact CH2-CG1 3.96Å; W119-V223 HydrophobicContact CZ2-CG1 3.88Å; M220-V223 WeakPolarHBondContact O-CA 3.45Å; M220-V223 WeakPolarHBondContact O-CB 3.47Å; M220-V223 PolarHBondContact O-N 2.93Å; A221-V223 PolarHBondContact O-N 3.23Å; A221-V223 VanDerWaalsContact O-N 3.12Å; V223-I225 VanDerWaalsContact C-N 3.35Å; V223-I225 PolarHBondContact O-N 3.31Å; V223-R226 PolarHBondContact O-N 3.36Å; V223-E227 PolarHBondContact O-N 2.75Å
224	L	96.1	Very high	93.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-52.9	-48.7	172.3	-80.8	158.8	0	0	0	112.1	W119 V175 I187 L209 V211 M220 A221 E227 V228	W119-L224 HydrophobicContact CZ3-CD2 4.06Å; V175-L224 HydrophobicContact CG2-CD2 3.93Å; V175-L224 HydrophobicContact CG2-CG 4.37Å; I187-L224 HydrophobicContact CB-CB 4.43Å; I187-L224 HydrophobicContact CB-CD2 4.29Å; I187-L224 HydrophobicContact CG2-CB 4.12Å; I187-L224 HydrophobicContact CG2-CD2 3.75Å; L209-L224 HydrophobicContact CD1-CB 4.23Å; L209-L224 HydrophobicContact CD1-CD1 3.96Å; V211-L224 HydrophobicContact CG2-CD1 3.93Å; M220-L224 HydrophobicContact CG-CD1 4.2Å; M220-L224 PolarHBondContact O-N 2.9Å; M220-L224 VanDerWaalsContact O-N 3.07Å; A221-L224 WeakPolarHBondContact O-CB 3.31Å; A221-L224 PolarHBondContact O-N 2.91Å; L224-E227 PolarHBondContact O-N 3.48Å; L224-V228 PolarHBondContact O-N 3.04Å
225	I	96.7	Very high	94.2	Very high	19 Å²	19	40.9 Å²	40.9	10%	0.097	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-47.5	-179.7	-65	164.9	0	0	0	110.6	F78 W79 I187 L209 A221 V223 E227 V228 T229	F78-I225 HydrophobicContact CD1-CD1 4.48Å; F78-I225 HydrophobicContact CE1-CB 4.18Å; F78-I225 HydrophobicContact CE1-CD1 3.73Å; F78-I225 HydrophobicContact CE1-CG2 3.95Å; F78-I225 HydrophobicContact CZ-CB 3.97Å; F78-I225 HydrophobicContact CZ-CD1 4.38Å; F78-I225 HydrophobicContact CZ-CG2 3.7Å; W79-I225 HydrophobicContact CH2-CD1 4.42Å; W79-I225 HydrophobicContact CZ2-CD1 4.12Å; I187-I225 HydrophobicContact CD1-CG1 4.1Å; L209-I225 HydrophobicContact CD2-CD1 3.95Å; L209-I225 HydrophobicContact CD2-CG1 4.02Å; A221-I225 VanDerWaalsContact O-CG1 3.31Å; A221-I225 WeakPolarHBondContact O-CG1 3.21Å; A221-I225 PolarHBondContact O-N 3.26Å; V223-I225 VanDerWaalsContact C-N 3.35Å; V223-I225 PolarHBondContact O-N 3.31Å; I225-E227 VanDerWaalsContact C-N 3.32Å; I225-E227 PolarHBondContact O-N 3.43Å; I225-V228 WeakPolarHBondContact O-CG1 3.45Å; I225-V228 PolarHBondContact O-N 2.9Å; I225-T229 WeakPolarHBondContact O-CB 3.43Å; I225-T229 PolarHBondContact O-N 3.45Å; I225-T229 PolarHBondContact O-OG1 2.83Å
226	R	96.9	Very high	94.5	Very high	77 Å²	77	42.2 Å²	42.2	29%	0.291	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-36.6	178.6	-74.9	-171.3	-57.6	-106.2	-0.5	113.1	F78 Y111 P222 V223 R230	F78-R226 HydrophobicContact CE2-CG 3.99Å; F78-R226 HydrophobicContact CZ-CG 4.44Å; Y111-R226 HydrophobicContact CD2-CB 3.82Å; Y111-R226 HydrophobicContact CE2-CB 3.75Å; Y111-R226 WeakPolarHBondContact CE2-O 3.42Å; Y111-R226 HydrophobicContact CG-CB 4.28Å; P222-R226 WeakPolarHBondContact O-CG 3.2Å; P222-R226 VanDerWaalsContact O-CZ 3.25Å; P222-R226 PolarHBondContact O-NE 3.08Å; P222-R226 PolarHBondContact O-NH1 3.06Å; V223-R226 PolarHBondContact O-N 3.36Å; R226-R230 WeakPolarHBondContact O-CB 3.48Å; R226-R230 PolarHBondContact O-N 3.01Å
227	E	98	Very high	94.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-70.8	-40.4	178.1	-175.8	58.6	-160	0	0	111.9	P110 Y111 W119 I173 V223 L224 I225 R230 R231	P110-E227 WeakPolarHBondContact CA-OE2 3.36Å; Y111-E227 PolarHBondContact N-OE2 2.89Å; W119-E227 HydrophobicContact CD2-CG 4.2Å; W119-E227 HydrophobicContact CE3-CG 4.17Å; W119-E227 HydrophobicContact CH2-CB 3.4Å; W119-E227 HydrophobicContact CH2-CG 3.72Å; W119-E227 HydrophobicContact CZ2-CB 3.66Å; W119-E227 HydrophobicContact CZ2-CG 3.75Å; W119-E227 HydrophobicContact CZ3-CB 3.97Å; W119-E227 HydrophobicContact CZ3-CG 3.93Å; I173-E227 HydrophobicContact CD1-CG 4.15Å; I173-E227 HydrophobicContact CG2-CG 4.19Å; V223-E227 PolarHBondContact O-N 2.75Å; L224-E227 PolarHBondContact O-N 3.48Å; I225-E227 VanDerWaalsContact C-N 3.32Å; I225-E227 PolarHBondContact O-N 3.43Å; E227-R230 VanDerWaalsContact CD-NE 3.34Å; E227-R230 WeakPolarHBondContact O-CB 3.29Å; E227-R230 PolarHBondContact O-N 2.95Å; E227-R230 IonicContact OE1-CZ 2.7Å; E227-R230 IonicContact OE1-NE 2.66Å; E227-R230 PolarHBondContact OE1-NE 2.9Å; E227-R230 IonicContact OE1-NH2 2.74Å; E227-R230 PolarHBondContact OE1-NH2 2.9Å; E227-R230 IonicContact OE2-CZ 3.55Å; E227-R230 IonicContact OE2-NE 2.6Å; E227-R230 PolarHBondContact OE2-NE 2.67Å; E227-R230 IonicContact OE2-NH2 3.13Å; E227-R231 WeakPolarHBondContact O-CG 3.39Å; E227-R231 PolarHBondContact O-N 2.83Å; E227-R231 IonicContact OE1-CZ 3.99Å; E227-R231 IonicContact OE1-NE 3.29Å; E227-R231 PolarHBondContact OE1-NE 2.75Å; E227-R231 IonicContact OE1-NH2 3.83Å
228	V	97.6	Very high	95.5	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.018	19%	0.186	C	C	.	.	H	α-helix	trans	-66.1	-42.6	173.6	79.5	0	0	0	0	111.6	I173 I187 A189 I206 L224 I225 R230 R231 V232	I173-V228 VanDerWaalsContact CD1-CA 3.49Å; I173-V228 HydrophobicContact CD1-CB 3.69Å; I173-V228 HydrophobicContact CD1-CG2 3.91Å; I187-V228 HydrophobicContact CD1-CB 4.42Å; I187-V228 HydrophobicContact CD1-CG1 3.66Å; I187-V228 HydrophobicContact CG1-CG1 4.32Å; I187-V228 HydrophobicContact CG2-CB 4.14Å; I187-V228 HydrophobicContact CG2-CG1 4.5Å; A189-V228 HydrophobicContact CB-CG2 3.74Å; I206-V228 HydrophobicContact CD1-CG1 4.17Å; I206-V228 HydrophobicContact CD1-CG2 4.26Å; L224-V228 PolarHBondContact O-N 3.04Å; I225-V228 WeakPolarHBondContact O-CG1 3.45Å; I225-V228 PolarHBondContact O-N 2.9Å; V228-R230 VanDerWaalsContact C-N 3.3Å; V228-R230 PolarHBondContact O-N 2.79Å; V228-R231 PolarHBondContact O-N 2.86Å; V228-V232 HydrophobicContact CG2-CG2 4.2Å; V228-V232 WeakPolarHBondContact O-CB 3.28Å; V228-V232 WeakPolarHBondContact O-CG2 3.43Å; V228-V232 PolarHBondContact O-N 2.85Å
229	T	97.6	Very high	96	Very high	24 Å²	24	29.6 Å²	29.6	15%	0.147	16%	0.158	C	C	.	.	H	α-helix	trans	-54	-46.2	171.9	-59.5	0	0	0	0	111.5	I225 V232 H233 Y439	I225-T229 WeakPolarHBondContact O-CB 3.43Å; I225-T229 PolarHBondContact O-N 3.45Å; I225-T229 PolarHBondContact O-OG1 2.83Å; T229-V232 PolarHBondContact O-N 3.48Å; T229-H233 WeakPolarHBondContact CG2-NE2 3.48Å; T229-H233 WeakPolarHBondContact O-CB 3.35Å; T229-H233 PolarHBondContact O-CD2 2.86Å; T229-H233 PolarHBondContact O-N 2.91Å; T229-Y439 HydrophobicContact CG2-CE1 3.92Å; T229-Y439 WeakPolarHBondContact CG2-OH 3.44Å
230	R	97.9	Very high	96.4	Very high	19 Å²	19	23.9 Å²	23.9	7%	0.072	14%	0.138	C	C	.	.	H	α-helix	trans	-59.7	-48.3	178.9	-167.8	-170.5	72.9	82.2	-3.6	112.2	I106 R107 Q108 E109 Y111 R226 E227 V228 H233 L234	I106-R230 HydrophobicContact CG2-CG 4.4Å; R107-R230 HydrophobicContact CB-CG 4.32Å; R107-R230 VanDerWaalsContact O-CD 3.27Å; R107-R230 WeakPolarHBondContact O-CD 3.46Å; R107-R230 WeakPolarHBondContact O-CG 3.2Å; R107-R230 PolarHBondContact O-NH1 3.45Å; Q108-R230 VanDerWaalsContact C-NH1 3.25Å; Q108-R230 PolarHBondContact O-NH1 2.65Å; E109-R230 WeakPolarHBondContact O-CD 3.48Å; E109-R230 PolarHBondContact O-NE 2.94Å; E109-R230 PolarHBondContact O-NH1 3.28Å; Y111-R230 HydrophobicContact CD2-CB 4.32Å; Y111-R230 HydrophobicContact CE2-CB 4Å; Y111-R230 HydrophobicContact CE2-CG 4.28Å; R226-R230 WeakPolarHBondContact O-CB 3.48Å; R226-R230 PolarHBondContact O-N 3.01Å; E227-R230 VanDerWaalsContact CD-NE 3.34Å; E227-R230 WeakPolarHBondContact O-CB 3.29Å; E227-R230 PolarHBondContact O-N 2.95Å; E227-R230 IonicContact OE1-CZ 2.7Å; E227-R230 IonicContact OE1-NE 2.66Å; E227-R230 PolarHBondContact OE1-NE 2.9Å; E227-R230 IonicContact OE1-NH2 2.74Å; E227-R230 PolarHBondContact OE1-NH2 2.9Å; E227-R230 IonicContact OE2-CZ 3.55Å; E227-R230 IonicContact OE2-NE 2.6Å; E227-R230 PolarHBondContact OE2-NE 2.67Å; E227-R230 IonicContact OE2-NH2 3.13Å; V228-R230 VanDerWaalsContact C-N 3.3Å; V228-R230 PolarHBondContact O-N 2.79Å; R230-H233 PolarHBondContact O-N 3.04Å; R230-L234 WeakPolarHBondContact O-CG 3.08Å; R230-L234 PolarHBondContact O-N 3.11Å
231	R	97.9	Very high	96.6	Very high	29 Å²	29	23.4 Å²	23.4	11%	0.109	14%	0.136	C	C	.	.	H	α-helix	trans	-71.9	-28.9	-177.4	-64.9	-172.7	-169.6	-161.6	-5.6	113.3	D121 G170 W171 I173 E227 V228	D121-R231 IonicContact OD1-CZ 3.76Å; D121-R231 VanDerWaalsContact OD1-CZ 3.25Å; D121-R231 IonicContact OD1-NH1 2.76Å; D121-R231 PolarHBondContact OD1-NH1 3.27Å; D121-R231 IonicContact OD1-NH2 3.16Å; D121-R231 PolarHBondContact OD1-NH2 3.08Å; D121-R231 IonicContact OD2-CZ 3.96Å; D121-R231 IonicContact OD2-NH1 3.56Å; D121-R231 PolarHBondContact OD2-NH1 2.96Å; D121-R231 IonicContact OD2-NH2 3.05Å; G170-R231 WeakPolarHBondContact O-CD 3.43Å; G170-R231 PolarHBondContact O-NH1 3.18Å; W171-R231 PolarHBondContact NE1-O 2.93Å; I173-R231 HydrophobicContact CD1-CG 4.41Å; E227-R231 WeakPolarHBondContact O-CG 3.39Å; E227-R231 PolarHBondContact O-N 2.83Å; E227-R231 IonicContact OE1-CZ 3.99Å; E227-R231 IonicContact OE1-NE 3.29Å; E227-R231 PolarHBondContact OE1-NE 2.75Å; E227-R231 IonicContact OE1-NH2 3.83Å; V228-R231 PolarHBondContact O-N 2.86Å
232	V	97.8	Very high	96.7	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.03	13%	0.129	C	C	.	.	H	α-helix	trans	-74.5	-42.5	172.6	173.1	0	0	0	0	110.7	W171 A189 V204 V228 T229 L234 T235 I237	W171-V232 HydrophobicContact CD2-CG2 4.23Å; W171-V232 HydrophobicContact CG-CG2 4.32Å; W171-V232 HydrophobicContact CZ2-CG2 4.36Å; A189-V232 HydrophobicContact CB-CG2 4.05Å; V204-V232 HydrophobicContact CB-CG1 4.37Å; V204-V232 HydrophobicContact CG1-CG1 3.65Å; V204-V232 HydrophobicContact CG1-CG2 4.02Å; V204-V232 HydrophobicContact CG2-CG1 3.78Å; V204-V232 HydrophobicContact CG2-CG2 4.05Å; V228-V232 HydrophobicContact CG2-CG2 4.2Å; V228-V232 WeakPolarHBondContact O-CB 3.28Å; V228-V232 WeakPolarHBondContact O-CG2 3.43Å; V228-V232 PolarHBondContact O-N 2.85Å; T229-V232 PolarHBondContact O-N 3.48Å; V232-L234 VanDerWaalsContact C-N 3.29Å; V232-L234 PolarHBondContact O-N 2.81Å; V232-T235 PolarHBondContact O-N 2.98Å; V232-T235 VanDerWaalsContact O-N 3.1Å; V232-T235 PolarHBondContact O-OG1 2.9Å; V232-I237 CarbonylContact C-O 3.56Å; V232-I237 HydrophobicContact CG1-CB 3.8Å; V232-I237 HydrophobicContact CG1-CG2 3.78Å; V232-I237 PolarHBondContact O-N 2.83Å
233	H	97.6	Very high	96.6	Very high	27 Å²	27	23.3 Å²	23.3	13%	0.125	13%	0.129	C	C	.	.	H	α-helix	trans	-60	-37.9	173.8	-74	-159.7	0	0	0	112	I106 T229 R230 T235 G236 I237 F238	I106-H233 HydrophobicContact CD1-CB 3.8Å; I106-H233 WeakPolarHBondContact CD1-O 3.37Å; I106-H233 HydrophobicContact CG1-CB 4.12Å; I106-H233 HydrophobicContact CG2-CB 4.12Å; T229-H233 WeakPolarHBondContact CG2-NE2 3.48Å; T229-H233 WeakPolarHBondContact O-CB 3.35Å; T229-H233 PolarHBondContact O-CD2 2.86Å; T229-H233 PolarHBondContact O-N 2.91Å; R230-H233 PolarHBondContact O-N 3.04Å; H233-T235 PolarHBondContact O-N 3Å; H233-T235 VanDerWaalsContact O-N 3.13Å; H233-G236 PolarHBondContact O-N 3.14Å; H233-I237 WeakPolarHBondContact CA-O 3.4Å; H233-I237 PolarHBondContact CD2-O 3Å; H233-I237 VanDerWaalsContact CD2-O 3.31Å; H233-I237 PolarHBondContact N-O 2.75Å; H233-F238 HydrophobicContact CB-CD1 4.34Å; H233-F238 HydrophobicContact CB-CE1 3.91Å; H233-F238 AromaticContact CD2-CD1 3.87Å; H233-F238 AromaticContact CE1-CD1 3.94Å; H233-F238 AromaticContact CG-CD1 3.78Å; H233-F238 AromaticContact CG-CE1 3.81Å; H233-F238 AromaticContact ND1-CD1 3.83Å; H233-F238 AromaticContact ND1-CE1 3.93Å; H233-F238 AromaticContact NE2-CD1 3.99Å
234	L	97	Very high	96.3	Very high	35 Å²	35	23.6 Å²	23.6	18%	0.183	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.5	176.8	-77.8	175.3	0	0	0	114.9	K103 I106 R230 V232	K103-L234 HydrophobicContact CG-CD2 4.16Å; I106-L234 HydrophobicContact CB-CD2 4.07Å; I106-L234 HydrophobicContact CG2-CD2 3.7Å; I106-L234 HydrophobicContact CG2-CG 3.77Å; R230-L234 WeakPolarHBondContact O-CG 3.08Å; R230-L234 PolarHBondContact O-N 3.11Å; V232-L234 VanDerWaalsContact C-N 3.29Å; V232-L234 PolarHBondContact O-N 2.81Å
235	T	95.8	Very high	95.8	Very high	72 Å²	72	26.6 Å²	26.6	44%	0.442	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	7.9	170.9	74.4	0	0	0	0	113.2	W171 V232 H233	W171-T235 HydrophobicContact CZ2-CG2 4.02Å; W171-T235 WeakPolarHBondContact CZ2-OG1 3.32Å; V232-T235 PolarHBondContact O-N 2.98Å; V232-T235 VanDerWaalsContact O-N 3.1Å; V232-T235 PolarHBondContact O-OG1 2.9Å; H233-T235 PolarHBondContact O-N 3Å; H233-T235 VanDerWaalsContact O-N 3.13Å
236	G	95.9	Very high	95.3	Very high	51 Å²	51	29.1 Å²	29.1	53%	0.526	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	22.6	-178.3	0	0	0	0	0	114.9	H233	H233-G236 PolarHBondContact O-N 3.14Å
237	I	96.9	Very high	95	Very high	30 Å²	30	26.2 Å²	26.2	15%	0.154	17%	0.171	C	C	.	.			trans	-110	128.5	173.7	-63.1	172.1	0	0	0	108.8	W171 V204 V232 H233	W171-I237 HydrophobicContact CH2-CD1 3.82Å; W171-I237 HydrophobicContact CZ2-CD1 4.18Å; V204-I237 HydrophobicContact CG1-CD1 4.35Å; V204-I237 HydrophobicContact CG1-CG2 4.3Å; V232-I237 CarbonylContact C-O 3.56Å; V232-I237 HydrophobicContact CG1-CB 3.8Å; V232-I237 HydrophobicContact CG1-CG2 3.78Å; V232-I237 PolarHBondContact O-N 2.83Å; H233-I237 WeakPolarHBondContact CA-O 3.4Å; H233-I237 PolarHBondContact CD2-O 3Å; H233-I237 VanDerWaalsContact CD2-O 3.31Å; H233-I237 PolarHBondContact N-O 2.75Å
238	F	97.4	Very high	94.6	Very high	14 Å²	14	27.2 Å²	27.2	6%	0.061	18%	0.177	C	C	.	.			trans	-119.8	-2.7	-171	-66.7	-77.1	0	0	0	114.6	D100 K101 I106 H233 N440	D100-F238 HydrophobicContact CB-CD2 3.47Å; D100-F238 VanDerWaalsContact CB-CD2 3.47Å; D100-F238 HydrophobicContact CB-CE2 3.77Å; D100-F238 HydrophobicContact CB-CG 3.91Å; D100-F238 HydrophobicContact CB-CZ 4.43Å; D100-F238 VanDerWaalsContact CG-CD2 3.42Å; D100-F238 WeakPolarHBondContact OD1-CB 3.46Å; D100-F238 WeakPolarHBondContact OD1-CG 3.47Å; K101-F238 HydrophobicContact CB-CE1 4.13Å; K101-F238 WeakPolarHBondContact O-CZ 3.39Å; I106-F238 HydrophobicContact CD1-CE1 3.95Å; I106-F238 HydrophobicContact CD1-CZ 3.99Å; H233-F238 HydrophobicContact CB-CD1 4.34Å; H233-F238 HydrophobicContact CB-CE1 3.91Å; H233-F238 AromaticContact CD2-CD1 3.87Å; H233-F238 AromaticContact CE1-CD1 3.94Å; H233-F238 AromaticContact CG-CD1 3.78Å; H233-F238 AromaticContact CG-CE1 3.81Å; H233-F238 AromaticContact ND1-CD1 3.83Å; H233-F238 AromaticContact ND1-CE1 3.93Å; H233-F238 AromaticContact NE2-CD1 3.99Å; F238-N440 WeakPolarHBondContact O-CB 3.24Å; F238-N440 PolarHBondContact O-ND2 3.08Å
239	Q	97.5	Very high	94.3	Very high	14 Å²	14	27.3 Å²	27.3	7%	0.065	18%	0.177	C	C	.	.			trans	-122.6	154.3	179.4	-64.1	74.2	30.2	0	0	110.2	D100 M203 V204 Y439 N440 W441	D100-Q239 PolarHBondContact OD1-NE2 2.64Å; M203-Q239 HydrophobicContact CB-CB 4.14Å; M203-Q239 VanDerWaalsContact CB-O 3.32Å; M203-Q239 WeakPolarHBondContact CB-O 3.49Å; M203-Q239 HydrophobicContact CE-CB 4.39Å; V204-Q239 PolarHBondContact N-O 3.38Å; Q239-Y439 WeakPolarHBondContact CA-O 3.49Å; Q239-N440 PolarHBondContact NE2-ND2 2.69Å; Q239-W441 HydrophobicContact CG-CB 4.46Å; Q239-W441 HydrophobicContact CG-CE3 4.18Å
240	A	96.7	Very high	93.9	Very high	7 Å²	7	28.4 Å²	28.4	6%	0.058	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	159	172.4	0	0	0	0	0	111.6	V204 I206 L438 Y439	V204-A240 HydrophobicContact CG2-CB 3.57Å; V204-A240 CarbonylContact O-C 3.48Å; V204-A240 WeakPolarHBondContact O-CA 3.3Å; V204-A240 WeakPolarHBondContact O-CB 3.39Å; I206-A240 HydrophobicContact CD1-CB 4.46Å; I206-A240 HydrophobicContact CG1-CB 4.04Å; A240-L438 CarbonylContact O-C 3.6Å; A240-L438 WeakPolarHBondContact O-CA 3.45Å; A240-Y439 PolarHBondContact N-O 2.64Å; A240-Y439 PolarHBondContact O-N 2.68Å
241	V	95.4	Very high	93.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140	168.5	58.3	0	0	0	0	109.3	I194 M203 V204 E205 I206 Y437 L438 K453	I194-V241 HydrophobicContact CD1-CG1 4.42Å; I194-V241 HydrophobicContact CG1-CG1 4.03Å; M203-V241 HydrophobicContact SD-CB 3.84Å; M203-V241 HydrophobicContact SD-CG1 3.87Å; V204-V241 PolarHBondContact O-N 3.07Å; E205-V241 WeakPolarHBondContact CA-O 3.41Å; E205-V241 HydrophobicContact CB-CG1 4.21Å; I206-V241 PolarHBondContact N-O 3.1Å; V241-Y437 WeakPolarHBondContact CA-O 3.22Å; V241-L438 HydrophobicContact CB-CD2 3.8Å; V241-L438 HydrophobicContact CG2-CD2 3.91Å; V241-K453 HydrophobicContact CG1-CD 4.24Å; V241-K453 VanDerWaalsContact CG1-NZ 3.3Å; V241-K453 HydrophobicContact CG2-CD 4.06Å
242	Y	94.5	Very high	93.4	Very high	24 Å²	24	26.6 Å²	26.6	9%	0.094	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	159.7	178.3	61.4	-81.8	0	0	0	111.7	W79 L248 Y437	W79-Y242 AromaticContact CH2-CE2 3.96Å; W79-Y242 HydrophobicContact CH2-CE2 3.96Å; W79-Y242 AromaticContact CH2-CZ 3.71Å; W79-Y242 WeakPolarHBondContact CH2-OH 3.5Å; W79-Y242 HydrophobicContact CZ2-CE2 4.49Å; W79-Y242 AromaticContact CZ3-CZ 3.95Å; W79-Y242 WeakPolarHBondContact CZ3-OH 3.39Å; Y242-L248 HydrophobicContact CE2-CD1 4.38Å; Y242-Y437 AromaticContact CD2-CD2 3.63Å; Y242-Y437 HydrophobicContact CD2-CD2 3.63Å; Y242-Y437 AromaticContact CD2-CG 3.96Å; Y242-Y437 HydrophobicContact CD2-CG 3.96Å; Y242-Y437 VanDerWaalsContact CE1-CB 3.46Å; Y242-Y437 HydrophobicContact CE1-CG 4.36Å; Y242-Y437 HydrophobicContact CE2-CD1 4.23Å; Y242-Y437 AromaticContact CE2-CD2 3.42Å; Y242-Y437 HydrophobicContact CE2-CD2 3.42Å; Y242-Y437 VanDerWaalsContact CE2-CD2 3.42Å; Y242-Y437 HydrophobicContact CE2-CE2 4.24Å; Y242-Y437 AromaticContact CE2-CG 3.42Å; Y242-Y437 HydrophobicContact CE2-CG 3.42Å; Y242-Y437 VanDerWaalsContact CE2-CG 3.42Å; Y242-Y437 AromaticContact CZ-CG 3.65Å; Y242-Y437 PolarHBondContact N-O 3.45Å; Y242-Y437 VanDerWaalsContact N-O 3.09Å; Y242-Y437 PolarHBondContact O-N 3.12Å
243	T	92	Very high	93.2	Very high	24 Å²	24	26.7 Å²	26.7	15%	0.147	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	153.2	178	53.5	0	0	0	0	110.6	L434 Q435 Y436 Y455	T243-L434 HydrophobicContact CG2-CD2 4.05Å; T243-L434 HydrophobicContact CG2-CG 4.18Å; T243-Q435 CarbonylContact C-O 3.55Å; T243-Q435 VanDerWaalsContact CA-O 3.24Å; T243-Q435 WeakPolarHBondContact CA-O 3.25Å; T243-Y436 HydrophobicContact CG2-CD1 3.64Å; T243-Y436 HydrophobicContact CG2-CE1 3.47Å; T243-Y436 VanDerWaalsContact CG2-CE1 3.47Å; T243-Y436 HydrophobicContact CG2-CG 4.23Å; T243-Y455 PolarHBondContact OG1-O 3.38Å
244	A	88.9	Confident	93	Very high	21 Å²	21	26.5 Å²	26.5	17%	0.174	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	151	171.8	0	0	0	0	0	112.6	V246 Q435 Y437	A244-V246 HydrophobicContact CB-CG2 4.21Å; A244-V246 PolarHBondContact O-N 3.14Å; A244-Q435 PolarHBondContact N-O 2.93Å; A244-Q435 WeakPolarHBondContact O-CB 3.42Å; A244-Q435 PolarHBondContact O-N 2.93Å; A244-Y437 HydrophobicContact CB-CE2 3.97Å
245	G	86.5	Confident	92.8	Very high	64 Å²	64	24.9 Å²	24.9	66%	0.66	17%	0.167	S	C	*	.	S	Bend	trans	-74.4	-8.1	170.4	0	0	0	0	0	114.6	H433	G245-H433 WeakPolarHBondContact CA-O 3.31Å
246	V	85.8	Confident	92.6	Very high	72 Å²	72	21.9 Å²	21.9	44%	0.436	15%	0.149	S	C	.	.	S	Bend	trans	-112.4	147.2	-179.4	-65.3	0	0	0	0	111.3	A244 L248 Y437	A244-V246 HydrophobicContact CB-CG2 4.21Å; A244-V246 PolarHBondContact O-N 3.14Å; V246-L248 HydrophobicContact CG2-CD2 4.2Å; V246-L248 HydrophobicContact CG2-CG 4.32Å; V246-Y437 PolarHBondContact O-OH 3.37Å
247	V	90.5	Very high	92.4	Very high	15 Å²	15	20.8 Å²	20.8	9%	0.091	13%	0.129	C	C	.	.			trans	-81.5	125.3	177.7	-176.9	0	0	0	0	110.5	A67 W68 A71 F87 P251 Q435 Y437	A67-V247 HydrophobicContact CB-CG2 4.09Å; W68-V247 HydrophobicContact CD2-CG1 4.19Å; W68-V247 HydrophobicContact CG-CG1 4.3Å; A71-V247 HydrophobicContact CB-CB 3.82Å; A71-V247 HydrophobicContact CB-CG1 3.6Å; F87-V247 HydrophobicContact CE1-CG1 3.71Å; F87-V247 HydrophobicContact CZ-CG1 3.98Å; V247-P251 HydrophobicContact CG1-CG 4.42Å; V247-Q435 HydrophobicContact CG2-CG 4.13Å; V247-Y437 WeakPolarHBondContact CA-OH 3.26Å
248	L	90.4	Very high	92.3	Very high	22 Å²	22	20.9 Å²	20.9	12%	0.115	13%	0.127	C	C	.	.			trans	-129.4	161.7	-179.5	-54.4	173.8	0	0	0	109	F76 W79 F87 Y242 V246 R250 P251 Y437	F76-L248 HydrophobicContact CD1-CD2 4.35Å; F76-L248 HydrophobicContact CE1-CD2 3.87Å; W79-L248 HydrophobicContact CZ2-CD1 3.82Å; F87-L248 WeakPolarHBondContact CE1-O 3.44Å; F87-L248 WeakPolarHBondContact CZ-O 3.45Å; Y242-L248 HydrophobicContact CE2-CD1 4.38Å; V246-L248 HydrophobicContact CG2-CD2 4.2Å; V246-L248 HydrophobicContact CG2-CG 4.32Å; L248-R250 VanDerWaalsContact O-CA 3.22Å; L248-R250 WeakPolarHBondContact O-CA 3.19Å; L248-R250 PolarHBondContact O-N 3.17Å; L248-P251 WeakPolarHBondContact O-CD 3.38Å; L248-Y437 HydrophobicContact CB-CE1 3.81Å; L248-Y437 HydrophobicContact CD1-CE2 4.44Å; L248-Y437 PolarHBondContact N-OH 3.35Å; L248-Y437 WeakPolarHBondContact O-CE1 3.21Å
249	P	90	Very high	92.2	Very high	4 Å²	4	22.3 Å²	22.3	3%	0.026	13%	0.134	C	C	.	.	S	Bend	trans	-74.3	119.7	176.4	-5.5	20.7	0	0	0	110.8	F76 W79 V84 P85 F87	F76-P249 HydrophobicContact CB-CG 4.01Å; F76-P249 HydrophobicContact CD1-CG 4.48Å; F76-P249 HydrophobicContact CD2-CG 3.85Å; F76-P249 HydrophobicContact CE2-CG 4.42Å; F76-P249 HydrophobicContact CG-CG 3.88Å; W79-P249 HydrophobicContact CB-CG 4.13Å; V84-P249 VanDerWaalsContact CG2-O 3.25Å; V84-P249 WeakPolarHBondContact CG2-O 3.4Å; P85-P249 CarbonylContact O-C 3.36Å; F87-P249 HydrophobicContact CD2-CB 4.1Å; F87-P249 HydrophobicContact CD2-CG 4.22Å; F87-P249 HydrophobicContact CE2-CB 3.9Å; F87-P249 HydrophobicContact CE2-CG 3.65Å; F87-P249 HydrophobicContact CZ-CB 4.22Å; F87-P249 HydrophobicContact CZ-CG 4.12Å
250	R	90	Very high	92.2	Very high	47 Å²	47	21.8 Å²	21.8	18%	0.177	13%	0.132	C	C	.	.			cis	-125.5	143.2	-21.7	179.7	-175.6	175.2	164	1.9	107.2	W68 P85 F87 E89 L248 Y437 E445	W68-R250 HydrophobicContact CH2-CG 4.29Å; W68-R250 HydrophobicContact CZ3-CG 4.41Å; P85-R250 HydrophobicContact CB-CB 4.34Å; P85-R250 PolarHBondContact O-N 3.43Å; F87-R250 HydrophobicContact CD1-CG 4.31Å; F87-R250 PolarHBondContact O-NH1 2.86Å; E89-R250 PolarHBondContact O-NH1 3.47Å; L248-R250 VanDerWaalsContact O-CA 3.22Å; L248-R250 WeakPolarHBondContact O-CA 3.19Å; L248-R250 PolarHBondContact O-N 3.17Å; R250-Y437 WeakPolarHBondContact O-CD1 3.25Å; R250-E445 IonicContact CZ-OE1 3.54Å; R250-E445 IonicContact CZ-OE2 3.47Å; R250-E445 IonicContact NE-OE1 2.67Å; R250-E445 PolarHBondContact NE-OE1 3.2Å; R250-E445 IonicContact NH2-OE1 2.81Å; R250-E445 PolarHBondContact NH2-OE1 3.06Å; R250-E445 IonicContact NH2-OE2 3.22Å; R250-E445 PolarHBondContact NH2-OE2 2.81Å
251	P	92.1	Very high	92.2	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.013	13%	0.131	C	C	.	.			trans	-65.6	145.4	174.6	-16.4	31.5	0	0	0	111.1	W68 V247 L248 Q435 Y436 Y437	W68-P251 HydrophobicContact CH2-CB 4.46Å; W68-P251 HydrophobicContact CH2-CG 3.94Å; W68-P251 HydrophobicContact CZ2-CB 4.13Å; W68-P251 HydrophobicContact CZ2-CG 3.59Å; V247-P251 HydrophobicContact CG1-CG 4.42Å; L248-P251 WeakPolarHBondContact O-CD 3.38Å; P251-Q435 HydrophobicContact CB-CB 4.3Å; P251-Q435 HydrophobicContact CG-CB 4.24Å; P251-Q435 HydrophobicContact CG-CG 4.46Å; P251-Q435 VanDerWaalsContact CG-OE1 3.31Å; P251-Y436 CarbonylContact C-O 3.57Å; P251-Y436 WeakPolarHBondContact CA-O 3.33Å; P251-Y437 HydrophobicContact CB-CD1 4.46Å; P251-Y437 HydrophobicContact CB-CE1 4Å; P251-Y437 HydrophobicContact CG-CE1 3.68Å
252	V	93.9	Very high	92.3	Very high	9 Å²	9	22.5 Å²	22.5	6%	0.055	14%	0.135	C	C	.	.	S	Bend	trans	-86.8	-19.5	166.3	-61	0	0	0	0	111.8	L323 Y436 L438 E445 M446	V252-L323 HydrophobicContact CG2-CD2 3.99Å; V252-Y436 PolarHBondContact N-O 2.86Å; V252-L438 HydrophobicContact CG1-CD1 4.23Å; V252-L438 HydrophobicContact CG1-CG 4.23Å; V252-L438 HydrophobicContact CG2-CG 4.36Å; V252-E445 WeakPolarHBondContact O-CA 3.16Å; V252-M446 PolarHBondContact O-N 3.33Å
253	S	93.4	Very high	92.4	Very high	7 Å²	7	24.1 Å²	24.1	5%	0.049	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	166	170.4	-162.4	0	0	0	0	111.2	Y436 M446 V451	S253-Y436 PolarHBondContact O-N 2.96Å; S253-M446 VanDerWaalsContact CB-O 3.23Å; S253-M446 WeakPolarHBondContact CB-O 3.3Å; S253-M446 PolarHBondContact OG-O 3.29Å; S253-V451 VanDerWaalsContact CB-CG2 3.49Å
254	S	92.9	Very high	92.6	Very high	23 Å²	23	23.5 Å²	23.5	16%	0.161	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	103	-175.5	168.6	0	0	0	0	110	N64 Q435	N64-S254 PolarHBondContact ND2-OG 3.37Å; S254-Q435 VanDerWaalsContact CB-OE1 3.24Å; S254-Q435 PolarHBondContact OG-NE2 3.14Å; S254-Q435 PolarHBondContact OG-OE1 3.25Å
255	C	92.4	Very high	92.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	144.7	-179.1	-57.2	0	0	0	0	111.2	L413 D414 H433 L434 Y436	C255-L413 HydrophobicContact CB-CB 4.32Å; C255-L413 HydrophobicContact CB-CD2 4.03Å; C255-D414 WeakPolarHBondContact CA-OD1 3.18Å; C255-D414 WeakPolarHBondContact CB-OD1 3.21Å; C255-H433 CarbonylContact O-C 3.54Å; C255-H433 VanDerWaalsContact O-CA 3.27Å; C255-H433 WeakPolarHBondContact O-CA 3.37Å; C255-L434 PolarHBondContact N-O 3.13Å; C255-L434 PolarHBondContact O-N 3.07Å; C255-Y436 HydrophobicContact CB-CE2 4.09Å; C255-Y436 VanDerWaalsContact SG-CE2 3.51Å
256	C	91.8	Very high	93.3	Very high	9 Å²	9	26.2 Å²	26.2	6%	0.061	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	143.9	174.6	-165.5	0	0	0	0	111.3	L413 D414 H433	C256-L413 WeakPolarHBondContact O-CA 3.16Å; C256-L413 WeakPolarHBondContact O-CD2 3.15Å; C256-D414 WeakPolarHBondContact CB-OD2 3.49Å; C256-D414 PolarHBondContact N-OD1 3.04Å; C256-D414 PolarHBondContact N-OD2 2.96Å; C256-D414 PolarHBondContact O-N 2.96Å; C256-D414 VanDerWaalsContact O-N 3.16Å; C256-H433 VanDerWaalsContact SG-CE1 3.58Å
257	Y	91.1	Very high	93.8	Very high	29 Å²	29	22.8 Å²	22.8	11%	0.114	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	145.4	171.5	-79.8	-75.8	0	0	0	111.9	Y380 L413 G430 G432 L434 A456	Y257-Y380 HydrophobicContact CE1-CE1 4.24Å; Y257-L413 HydrophobicContact CD1-CD2 3.54Å; Y257-L413 HydrophobicContact CD1-CG 3.94Å; Y257-L413 HydrophobicContact CD2-CD2 3.98Å; Y257-L413 HydrophobicContact CE1-CD1 4.27Å; Y257-L413 HydrophobicContact CE1-CD2 3.63Å; Y257-L413 HydrophobicContact CE1-CG 3.86Å; Y257-L413 HydrophobicContact CE2-CD2 4.08Å; Y257-L413 HydrophobicContact CG-CD2 3.73Å; Y257-G430 WeakPolarHBondContact O-CA 3.27Å; Y257-G430 PolarHBondContact O-N 3.06Å; Y257-G432 PolarHBondContact N-O 3.37Å; Y257-L434 HydrophobicContact CE2-CB 4.01Å; Y257-A456 WeakPolarHBondContact OH-CB 3.37Å
258	W	95	Very high	93.9	Very high	31 Å²	31	24 Å²	24	12%	0.117	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141.9	177.4	-73	74.3	0	0	0	110.8	N411 A412 L422 E423 F427 G428 V429	W258-N411 CarbonylContact O-C 3.57Å; W258-N411 WeakPolarHBondContact O-CA 3.47Å; W258-A412 PolarHBondContact N-O 2.88Å; W258-A412 PolarHBondContact O-N 3.18Å; W258-L422 HydrophobicContact CB-CD1 4.39Å; W258-L422 HydrophobicContact CB-CD2 3.73Å; W258-L422 HydrophobicContact CD2-CB 4.15Å; W258-L422 HydrophobicContact CD2-CD1 3.85Å; W258-L422 HydrophobicContact CD2-CD2 4.26Å; W258-L422 HydrophobicContact CD2-CG 4.3Å; W258-L422 HydrophobicContact CE3-CB 3.88Å; W258-L422 HydrophobicContact CE3-CD1 4.45Å; W258-L422 HydrophobicContact CE3-CD2 4.44Å; W258-L422 HydrophobicContact CE3-CG 4.47Å; W258-L422 HydrophobicContact CG-CD1 3.84Å; W258-L422 HydrophobicContact CG-CD2 4.02Å; W258-L422 HydrophobicContact CG-CG 4.41Å; W258-L422 HydrophobicContact CH2-CB 4.38Å; W258-L422 HydrophobicContact CZ2-CD1 4.45Å; W258-L422 HydrophobicContact CZ3-CB 4Å; W258-E423 HydrophobicContact CH2-CG 3.92Å; W258-E423 HydrophobicContact CZ3-CG 4.08Å; W258-F427 HydrophobicContact CB-CB 4.17Å; W258-F427 HydrophobicContact CB-CD1 4.15Å; W258-F427 HydrophobicContact CE3-CB 3.81Å; W258-G428 CarbonylContact C-O 3.47Å; W258-G428 WeakPolarHBondContact CA-O 3.33Å; W258-V429 HydrophobicContact CD2-CG2 4.22Å; W258-V429 HydrophobicContact CE3-CG2 4.03Å; W258-V429 HydrophobicContact CH2-CG2 3.59Å; W258-V429 HydrophobicContact CZ2-CG2 3.74Å; W258-V429 HydrophobicContact CZ3-CG2 3.72Å
259	H	95.1	Very high	94	Very high	44 Å²	44	26.9 Å²	26.9	20%	0.204	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.5	-169	-53	-70.2	0	0	0	112.4	F272 V409 N411 F427 G428	H259-F272 HydrophobicContact CB-CE1 4.37Å; H259-F272 AromaticContact ND1-CZ 3.93Å; H259-V409 HydrophobicContact CB-CG2 4.21Å; H259-N411 PolarHBondContact ND1-OD1 3.13Å; H259-F427 CarbonylContact O-C 3.52Å; H259-F427 WeakPolarHBondContact O-CA 3.34Å; H259-G428 PolarHBondContact N-O 2.87Å; H259-G428 PolarHBondContact O-N 3.22Å
260	R	97.5	Very high	94.1	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.015	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	107.7	-179.5	-179.5	64.2	-170.8	73.3	9	111.2	L262 Y288 L399 V409 F410 L425 K426 F427	R260-L262 PolarHBondContact O-N 2.85Å; R260-Y288 PolarHBondContact NH2-O 2.98Å; R260-L399 HydrophobicContact CB-CD2 4.25Å; R260-L399 HydrophobicContact CG-CD1 3.92Å; R260-L399 HydrophobicContact CG-CD2 3.71Å; R260-L399 HydrophobicContact CG-CG 4.49Å; R260-V409 WeakPolarHBondContact O-CA 3.32Å; R260-F410 HydrophobicContact CB-CB 4.28Å; R260-F410 WeakPolarHBondContact CB-O 3.35Å; R260-F410 PolarHBondContact N-O 3.43Å; R260-F410 PolarHBondContact O-N 2.92Å; R260-L425 VanDerWaalsContact CD-O 3.26Å; R260-L425 WeakPolarHBondContact CD-O 3.47Å; R260-L425 PolarHBondContact NE-O 3.16Å; R260-K426 WeakPolarHBondContact CD-O 3.3Å; R260-F427 HydrophobicContact CB-CD1 3.57Å; R260-F427 HydrophobicContact CB-CD2 3.95Å; R260-F427 HydrophobicContact CB-CE1 3.62Å; R260-F427 HydrophobicContact CB-CE2 4Å; R260-F427 HydrophobicContact CB-CG 3.73Å; R260-F427 HydrophobicContact CB-CZ 3.84Å; R260-F427 HydrophobicContact CG-CD2 4.19Å; R260-F427 HydrophobicContact CG-CE2 4.12Å; R260-F427 HydrophobicContact CG-CG 4.44Å; R260-F427 HydrophobicContact CG-CZ 4.3Å
261	S	96.9	Very high	94.1	Very high	6 Å²	6	31.3 Å²	31.3	4%	0.042	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	106.8	-174.9	-48.2	0	0	0	0	113.6
262	L	98.1	Very high	93.9	Very high	15 Å²	15	33.7 Å²	33.7	8%	0.079	16%	0.162	C	C	.	.	S	Bend	trans	-84.5	-37.2	174.6	-52.8	179.2	0	0	0	111.3	R260 P264 L290 L399 A402 K403 Y407 D408 F410	R260-L262 PolarHBondContact O-N 2.85Å; L262-P264 VanDerWaalsContact C-CD 3.45Å; L262-P264 WeakPolarHBondContact O-CD 3.3Å; L262-L290 HydrophobicContact CD2-CD1 3.82Å; L262-L399 HydrophobicContact CD2-CB 4.47Å; L262-L399 HydrophobicContact CD2-CD2 4.18Å; L262-A402 HydrophobicContact CD1-CB 3.89Å; L262-K403 HydrophobicContact CB-CB 4.36Å; L262-K403 HydrophobicContact CD1-CB 4.39Å; L262-K403 HydrophobicContact CD2-CB 4.37Å; L262-Y407 WeakPolarHBondContact CB-O 3.48Å; L262-D408 CarbonylContact C-O 3.51Å; L262-D408 WeakPolarHBondContact CA-O 3.25Å; L262-D408 WeakPolarHBondContact CB-O 3.43Å; L262-D408 PolarHBondContact N-O 3.48Å; L262-F410 HydrophobicContact CD1-CB 4.16Å; L262-F410 HydrophobicContact CD2-CB 4.34Å; L262-F410 HydrophobicContact CG-CB 4.31Å
263	N	96.9	Very high	93.6	Very high	59 Å²	59	34.7 Å²	34.7	32%	0.316	17%	0.169	S	C	.	.	S	Bend	trans	-120.1	67.1	177	-173.4	0.5	0	0	0	111	K265 K266 L267 D408	N263-K265 PolarHBondContact O-N 2.83Å; N263-K265 VanDerWaalsContact O-N 3.08Å; N263-K266 HydrophobicContact CB-CB 4.46Å; N263-K266 VanDerWaalsContact ND2-CB 3.33Å; N263-K266 WeakPolarHBondContact ND2-CB 3.37Å; N263-K266 PolarHBondContact O-N 3.36Å; N263-K266 VanDerWaalsContact O-N 3.1Å; N263-K266 PolarHBondContact OD1-N 2.95Å; N263-L267 WeakPolarHBondContact O-CG 3.35Å; N263-L267 PolarHBondContact O-N 2.89Å; N263-L267 VanDerWaalsContact O-N 3.12Å; N263-D408 HydrophobicContact CB-CB 4.07Å; N263-D408 WeakPolarHBondContact CB-OD1 3.39Å; N263-D408 PolarHBondContact N-O 2.83Å; N263-D408 PolarHBondContact ND2-OD1 3.48Å
264	P	95.2	Very high	93.2	Very high	10 Å²	10	41.9 Å²	41.9	7%	0.065	20%	0.202	C	C	.	.	H	α-helix	trans	-59.2	-25.5	-174.8	23.5	-34.6	0	0	0	113.7	L262 I268 V285 Y288	L262-P264 VanDerWaalsContact C-CD 3.45Å; L262-P264 WeakPolarHBondContact O-CD 3.3Å; P264-I268 WeakPolarHBondContact O-CB 3.45Å; P264-I268 VanDerWaalsContact O-CD1 3.29Å; P264-I268 WeakPolarHBondContact O-CD1 3.36Å; P264-I268 WeakPolarHBondContact O-CG1 3.31Å; P264-I268 PolarHBondContact O-N 3.47Å; P264-V285 HydrophobicContact CG-CG2 4.07Å; P264-Y288 HydrophobicContact CB-CD2 3.94Å; P264-Y288 HydrophobicContact CG-CD2 4.14Å
265	K	95.3	Very high	92.7	Very high	117 Å²	117	44.2 Å²	44.2	51%	0.509	21%	0.213	S	C	.	.	H	α-helix	trans	-59.7	-55.1	173.3	-178.4	-177	174.3	-169.7	0	110.9	N263 I268 D269 L281	N263-K265 PolarHBondContact O-N 2.83Å; N263-K265 VanDerWaalsContact O-N 3.08Å; K265-I268 PolarHBondContact O-N 3.34Å; K265-D269 WeakPolarHBondContact O-CB 3.48Å; K265-D269 PolarHBondContact O-N 3.19Å; K265-D269 VanDerWaalsContact O-N 3.08Å; K265-L281 HydrophobicContact CB-CD1 4.24Å; K265-L281 HydrophobicContact CG-CD1 4.48Å; K265-L281 HydrophobicContact CG-CD2 4.37Å
266	K	95.9	Very high	92.1	Very high	25 Å²	25	46.5 Å²	46.5	11%	0.109	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-42.8	-179.3	-174.6	-172.9	177.8	-176.2	0	111.6	N263 I268 D269 V270 Y373 S375 D408	N263-K266 HydrophobicContact CB-CB 4.46Å; N263-K266 VanDerWaalsContact ND2-CB 3.33Å; N263-K266 WeakPolarHBondContact ND2-CB 3.37Å; N263-K266 PolarHBondContact O-N 3.36Å; N263-K266 VanDerWaalsContact O-N 3.1Å; N263-K266 PolarHBondContact OD1-N 2.95Å; K266-I268 VanDerWaalsContact C-N 3.28Å; K266-I268 PolarHBondContact O-N 3.45Å; K266-D269 WeakPolarHBondContact O-CB 3.43Å; K266-D269 PolarHBondContact O-N 2.9Å; K266-V270 HydrophobicContact CG-CG1 4.41Å; K266-V270 WeakPolarHBondContact O-CG2 3.37Å; K266-V270 PolarHBondContact O-N 3.04Å; K266-Y373 HydrophobicContact CD-CD1 4.03Å; K266-Y373 HydrophobicContact CD-CE1 4.23Å; K266-Y373 HydrophobicContact CD-CG 4.32Å; K266-Y373 HydrophobicContact CG-CD1 3.97Å; K266-Y373 HydrophobicContact CG-CD2 3.97Å; K266-Y373 HydrophobicContact CG-CE1 3.93Å; K266-Y373 HydrophobicContact CG-CE2 3.97Å; K266-Y373 HydrophobicContact CG-CG 3.98Å; K266-S375 WeakPolarHBondContact CE-O 3.49Å; K266-S375 PolarHBondContact NZ-O 3.47Å; K266-D408 WeakPolarHBondContact CD-OD1 3.45Å; K266-D408 IonicContact NZ-OD1 2.72Å; K266-D408 IonicContact NZ-OD2 3.37Å; K266-D408 PolarHBondContact NZ-OD2 3.13Å
267	L	94.7	Very high	91.6	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-33.9	-179.7	-61.5	-178	0	0	0	112.9	N263 K271 F272 S273 I376 D408 V409	N263-L267 WeakPolarHBondContact O-CG 3.35Å; N263-L267 PolarHBondContact O-N 2.89Å; N263-L267 VanDerWaalsContact O-N 3.12Å; L267-K271 CarbonylContact O-C 3.57Å; L267-K271 PolarHBondContact O-N 3.31Å; L267-F272 HydrophobicContact CB-CB 4.33Å; L267-F272 HydrophobicContact CB-CD1 4.29Å; L267-F272 HydrophobicContact CD1-CD1 4.08Å; L267-F272 HydrophobicContact CD2-CB 4.15Å; L267-F272 HydrophobicContact CD2-CD1 3.75Å; L267-F272 HydrophobicContact CD2-CG 4.07Å; L267-F272 HydrophobicContact CG-CD1 4.25Å; L267-F272 PolarHBondContact O-N 3.01Å; L267-S273 PolarHBondContact O-N 3.12Å; L267-I376 HydrophobicContact CD2-CD1 4.26Å; L267-I376 HydrophobicContact CD2-CG2 3.95Å; L267-D408 WeakPolarHBondContact CD1-O 3.25Å; L267-D408 HydrophobicContact CD2-CB 4.07Å; L267-V409 HydrophobicContact CD1-CB 3.96Å; L267-V409 HydrophobicContact CD1-CG2 4.21Å; L267-V409 HydrophobicContact CD2-CB 4.26Å
268	I	92.9	Very high	91.2	Very high	40 Å²	40	61.6 Å²	61.6	21%	0.205	31%	0.308	C	S	.	.	H	α-helix	trans	-74.6	-41.6	174.2	-67.1	162	0	0	0	111.3	P264 K265 K266 V270 K271 S273 L275 L281 A284	P264-I268 WeakPolarHBondContact O-CB 3.45Å; P264-I268 VanDerWaalsContact O-CD1 3.29Å; P264-I268 WeakPolarHBondContact O-CD1 3.36Å; P264-I268 WeakPolarHBondContact O-CG1 3.31Å; P264-I268 PolarHBondContact O-N 3.47Å; K265-I268 PolarHBondContact O-N 3.34Å; K266-I268 VanDerWaalsContact C-N 3.28Å; K266-I268 PolarHBondContact O-N 3.45Å; I268-V270 PolarHBondContact O-N 3.12Å; I268-K271 PolarHBondContact O-N 3.3Å; I268-K271 VanDerWaalsContact O-N 3.12Å; I268-S273 WeakPolarHBondContact CA-O 3.34Å; I268-S273 WeakPolarHBondContact CG1-O 3.25Å; I268-L275 HydrophobicContact CD1-CD2 3.63Å; I268-L275 HydrophobicContact CD1-CG 3.88Å; I268-L275 HydrophobicContact CG1-CG 4.46Å; I268-L275 HydrophobicContact CG2-CD1 4.43Å; I268-L275 HydrophobicContact CG2-CG 4.28Å; I268-L281 HydrophobicContact CD1-CD1 3.84Å; I268-A284 HydrophobicContact CD1-CB 4.28Å
269	D	93.4	Very high	90.9	Very high	83 Å²	83	63.4 Å²	63.4	44%	0.444	32%	0.319	S	S	.	.	H	α-helix	trans	-56.3	-48.2	176.6	-132.5	-12.1	0	0	0	111.5	K265 K266 K271 Y373	K265-D269 WeakPolarHBondContact O-CB 3.48Å; K265-D269 PolarHBondContact O-N 3.19Å; K265-D269 VanDerWaalsContact O-N 3.08Å; K266-D269 WeakPolarHBondContact O-CB 3.43Å; K266-D269 PolarHBondContact O-N 2.9Å; D269-K271 VanDerWaalsContact C-N 3.26Å; D269-K271 PolarHBondContact O-N 3.33Å; D269-Y373 HydrophobicContact CB-CE2 3.8Å; D269-Y373 VanDerWaalsContact OD2-CE2 3.29Å; D269-Y373 WeakPolarHBondContact OD2-CE2 3.38Å; D269-Y373 PolarHBondContact OD2-OH 3.32Å; D269-Y373 VanDerWaalsContact OD2-OH 3.07Å
270	V	92.1	Very high	90.7	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.024	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	5.6	178.5	-53.2	0	0	0	0	113.9	F149 K266 I268 F272 V367 Y373 I376	F149-V270 HydrophobicContact CE1-CB 4.41Å; F149-V270 HydrophobicContact CE1-CG2 4.12Å; F149-V270 HydrophobicContact CZ-CG2 4.28Å; F149-V270 WeakPolarHBondContact CZ-O 3.5Å; K266-V270 HydrophobicContact CG-CG1 4.41Å; K266-V270 WeakPolarHBondContact O-CG2 3.37Å; K266-V270 PolarHBondContact O-N 3.04Å; I268-V270 PolarHBondContact O-N 3.12Å; V270-F272 HydrophobicContact CG2-CB 3.91Å; V270-F272 PolarHBondContact O-N 3.07Å; V270-V367 HydrophobicContact CB-CG1 4.04Å; V270-V367 HydrophobicContact CB-CG2 4.47Å; V270-V367 HydrophobicContact CG1-CG1 4.13Å; V270-V367 HydrophobicContact CG1-CG2 4.33Å; V270-Y373 HydrophobicContact CG1-CD2 3.45Å; V270-Y373 VanDerWaalsContact CG1-CD2 3.45Å; V270-Y373 HydrophobicContact CG1-CE2 4.29Å; V270-Y373 HydrophobicContact CG1-CG 4.11Å; V270-I376 HydrophobicContact CG2-CD1 3.74Å; V270-I376 HydrophobicContact CG2-CG1 4.08Å
271	K	90.3	Very high	90.5	Very high	141 Å²	141	67.5 Å²	67.5	61%	0.613	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	6.8	-177.4	-52.9	177.1	179.6	178	0	117.5	M148 L267 I268 D269 S273	M148-K271 HydrophobicContact CE-CB 3.93Å; M148-K271 HydrophobicContact SD-CB 3.86Å; M148-K271 HydrophobicContact SD-CD 3.83Å; M148-K271 HydrophobicContact SD-CG 4.48Å; L267-K271 CarbonylContact O-C 3.57Å; L267-K271 PolarHBondContact O-N 3.31Å; I268-K271 PolarHBondContact O-N 3.3Å; I268-K271 VanDerWaalsContact O-N 3.12Å; D269-K271 VanDerWaalsContact C-N 3.26Å; D269-K271 PolarHBondContact O-N 3.33Å; K271-S273 PolarHBondContact O-N 2.62Å; K271-S273 VanDerWaalsContact O-N 3.15Å
272	F	87.8	Confident	90.3	Very high	52 Å²	52	75 Å²	75	23%	0.228	38%	0.379	C	S	.	.	S	Bend	trans	-59.6	-23.1	172	-176	-86.5	0	0	0	112.7	F149 H259 L267 V270 I376 V409	F149-F272 HydrophobicContact CD2-CD2 4.07Å; F149-F272 HydrophobicContact CE1-CB 4.36Å; F149-F272 HydrophobicContact CE2-CB 3.98Å; F149-F272 AromaticContact CE2-CD2 3.77Å; F149-F272 HydrophobicContact CE2-CD2 3.77Å; F149-F272 HydrophobicContact CE2-CG 4.35Å; F149-F272 HydrophobicContact CZ-CB 3.62Å; F149-F272 HydrophobicContact CZ-CD2 4.08Å; F149-F272 HydrophobicContact CZ-CG 4.37Å; H259-F272 HydrophobicContact CB-CE1 4.37Å; H259-F272 AromaticContact ND1-CZ 3.93Å; L267-F272 HydrophobicContact CB-CB 4.33Å; L267-F272 HydrophobicContact CB-CD1 4.29Å; L267-F272 HydrophobicContact CD1-CD1 4.08Å; L267-F272 HydrophobicContact CD2-CB 4.15Å; L267-F272 HydrophobicContact CD2-CD1 3.75Å; L267-F272 HydrophobicContact CD2-CG 4.07Å; L267-F272 HydrophobicContact CG-CD1 4.25Å; L267-F272 PolarHBondContact O-N 3.01Å; V270-F272 HydrophobicContact CG2-CB 3.91Å; V270-F272 PolarHBondContact O-N 3.07Å; F272-I376 HydrophobicContact CB-CD1 3.7Å; F272-I376 HydrophobicContact CD2-CD1 3.64Å; F272-I376 HydrophobicContact CG-CD1 3.79Å; F272-V409 HydrophobicContact CE1-CB 4.38Å; F272-V409 HydrophobicContact CE1-CG1 4.42Å; F272-V409 HydrophobicContact CE1-CG2 3.87Å; F272-V409 HydrophobicContact CZ-CG1 4.4Å; F272-V409 HydrophobicContact CZ-CG2 4.35Å
273	S	87.3	Confident	90.1	Very high	29 Å²	29	81.3 Å²	81.3	20%	0.203	40%	0.402	C	S	.	.	S	Bend	trans	-139.1	133.1	173.3	-59	0	0	0	0	110.7	L267 I268 K271	L267-S273 PolarHBondContact O-N 3.12Å; I268-S273 WeakPolarHBondContact CA-O 3.34Å; I268-S273 WeakPolarHBondContact CG1-O 3.25Å; K271-S273 PolarHBondContact O-N 2.62Å; K271-S273 VanDerWaalsContact O-N 3.15Å
274	Q	84	Confident	89.9	Confident	159 Å²	159	78.7 Å²	78.7	74%	0.743	39%	0.388	S	S	*	.			trans	-92.4	149.2	177.7	-58.5	-173.7	13.3	0	0	111	G276	Q274-G276 PolarHBondContact O-N 3.33Å
275	L	84	Confident	89.9	Confident	72 Å²	72	81.5 Å²	81.5	38%	0.377	41%	0.405	S	S	.	.			trans	-74.8	115	170.8	-79.3	171.7	0	0	0	109.7	I268 M279 A284	I268-L275 HydrophobicContact CD1-CD2 3.63Å; I268-L275 HydrophobicContact CD1-CG 3.88Å; I268-L275 HydrophobicContact CG1-CG 4.46Å; I268-L275 HydrophobicContact CG2-CD1 4.43Å; I268-L275 HydrophobicContact CG2-CG 4.28Å; L275-M279 HydrophobicContact CD2-CB 4.15Å; L275-M279 HydrophobicContact CD2-CG 3.79Å; L275-A284 HydrophobicContact CD2-CB 4.03Å
276	G	79.6	Confident	89.9	Confident	47 Å²	47	84.2 Å²	84.2	49%	0.485	42%	0.417	S	S	.	.			trans	-59.7	158.1	172.6	0	0	0	0	0	112.7	Q274 N278 M279	Q274-G276 PolarHBondContact O-N 3.33Å; G276-N278 PolarHBondContact O-N 3.3Å; G276-M279 WeakPolarHBondContact O-CB 3.49Å; G276-M279 PolarHBondContact O-N 2.94Å
277	K	80.9	Confident	89.8	Confident	208 Å²	208	86.8 Å²	86.8	90%	0.904	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	131.2	178.9	-64.3	177.9	-179	176	0	110.5	M279	K277-M279 PolarHBondContact O-N 3.25Å
278	N	83.6	Confident	89.9	Confident	148 Å²	148	89.7 Å²	89.7	79%	0.791	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	7.2	-177.6	-49.7	-32	0	0	0	116.5	G276 R283	G276-N278 PolarHBondContact O-N 3.3Å; N278-R283 PolarHBondContact O-NH1 3.36Å
279	M	87.1	Confident	90.1	Very high	68 Å²	68	95.7 Å²	95.7	34%	0.335	47%	0.467	S	S	.	.			trans	-89.6	129.8	172.5	-166.7	63.2	70.1	0	0	110.9	L275 G276 K277 R283 A284 L287	L275-M279 HydrophobicContact CD2-CB 4.15Å; L275-M279 HydrophobicContact CD2-CG 3.79Å; G276-M279 WeakPolarHBondContact O-CB 3.49Å; G276-M279 PolarHBondContact O-N 2.94Å; K277-M279 PolarHBondContact O-N 3.25Å; M279-R283 HydrophobicContact SD-CB 3.42Å; M279-R283 WeakPolarHBondContact SD-CB 3.35Å; M279-A284 HydrophobicContact CG-CB 4.08Å; M279-A284 HydrophobicContact SD-CB 4.44Å; M279-L287 HydrophobicContact CE-CD2 3.95Å
280	T	92.2	Very high	90.3	Very high	67 Å²	67	92 Å²	92	41%	0.411	45%	0.448	S	S	.	.			trans	-99.9	157.2	168.3	70.3	0	0	0	0	109.9	Q282 R283 A284	T280-Q282 PolarHBondContact O-N 3.3Å; T280-R283 WeakPolarHBondContact O-CA 3.5Å; T280-R283 WeakPolarHBondContact O-CB 3.49Å; T280-R283 PolarHBondContact O-N 2.84Å; T280-R283 WeakPolarHBondContact OG1-CG 3.31Å; T280-R283 PolarHBondContact OG1-N 2.95Å; T280-A284 PolarHBondContact O-N 3.06Å
281	L	92.1	Very high	90.6	Very high	68 Å²	68	94.4 Å²	94.4	36%	0.356	46%	0.463	S	S	.	.	H	α-helix	trans	-53.3	-41.1	175.8	173.7	59.6	0	0	0	112.4	K265 I268 R283 A284 V285	K265-L281 HydrophobicContact CB-CD1 4.24Å; K265-L281 HydrophobicContact CG-CD1 4.48Å; K265-L281 HydrophobicContact CG-CD2 4.37Å; I268-L281 HydrophobicContact CD1-CD1 3.84Å; L281-R283 PolarHBondContact O-N 3.41Å; L281-A284 PolarHBondContact O-N 3.3Å; L281-V285 HydrophobicContact CD1-CG2 4.05Å; L281-V285 VanDerWaalsContact O-CG2 3.31Å; L281-V285 WeakPolarHBondContact O-CG2 3.2Å; L281-V285 PolarHBondContact O-N 2.94Å
282	Q	93.4	Very high	90.9	Very high	163 Å²	163	95.4 Å²	95.4	76%	0.762	47%	0.468	S	S	*	.	H	α-helix	trans	-63.3	-39.8	175.8	-67	179	-7.4	0	0	112.5	T280 K286	T280-Q282 PolarHBondContact O-N 3.3Å; Q282-K286 WeakPolarHBondContact O-CB 3.28Å; Q282-K286 PolarHBondContact O-N 2.81Å
283	R	93.5	Very high	91.3	Very high	148 Å²	148	100.1 Å²	100.1	56%	0.558	49%	0.49	S	S	*	.	H	α-helix	trans	-66.1	-42.1	174.6	-71.8	174.5	174.2	-178.6	-4.1	111.4	N278 M279 T280 L281 K286 L287	N278-R283 PolarHBondContact O-NH1 3.36Å; M279-R283 HydrophobicContact SD-CB 3.42Å; M279-R283 WeakPolarHBondContact SD-CB 3.35Å; T280-R283 WeakPolarHBondContact O-CA 3.5Å; T280-R283 WeakPolarHBondContact O-CB 3.49Å; T280-R283 PolarHBondContact O-N 2.84Å; T280-R283 WeakPolarHBondContact OG1-CG 3.31Å; T280-R283 PolarHBondContact OG1-N 2.95Å; L281-R283 PolarHBondContact O-N 3.41Å; R283-K286 PolarHBondContact O-N 2.99Å; R283-L287 WeakPolarHBondContact O-CB 3.47Å; R283-L287 PolarHBondContact O-N 3.35Å
284	A	93.1	Very high	91.8	Very high	4 Å²	4	101 Å²	101	3%	0.033	50%	0.495	C	S	.	.	H	α-helix	trans	-63.1	-44.8	176.4	0	0	0	0	0	112.3	I268 L275 M279 T280 L281 K286 L287 Y288	I268-A284 HydrophobicContact CD1-CB 4.28Å; L275-A284 HydrophobicContact CD2-CB 4.03Å; M279-A284 HydrophobicContact CG-CB 4.08Å; M279-A284 HydrophobicContact SD-CB 4.44Å; T280-A284 PolarHBondContact O-N 3.06Å; L281-A284 PolarHBondContact O-N 3.3Å; A284-K286 VanDerWaalsContact C-N 3.31Å; A284-K286 PolarHBondContact O-N 3.16Å; A284-L287 PolarHBondContact O-N 2.81Å; A284-Y288 WeakPolarHBondContact O-CD2 3.36Å; A284-Y288 PolarHBondContact O-N 2.67Å; A284-Y288 VanDerWaalsContact O-N 3.12Å
285	V	94.8	Very high	92.4	Very high	69 Å²	69	99.4 Å²	99.4	42%	0.418	49%	0.485	S	S	.	.	H	α-helix	trans	-60.5	-39	173.7	170.7	0	0	0	0	111.5	P264 L281 K289	P264-V285 HydrophobicContact CG-CG2 4.07Å; L281-V285 HydrophobicContact CD1-CG2 4.05Å; L281-V285 VanDerWaalsContact O-CG2 3.31Å; L281-V285 WeakPolarHBondContact O-CG2 3.2Å; L281-V285 PolarHBondContact O-N 2.94Å; V285-K289 PolarHBondContact O-N 3.32Å
286	K	95.4	Very high	93.1	Very high	173 Å²	173	96.7 Å²	96.7	75%	0.752	47%	0.472	S	S	*	.	H	α-helix	trans	-69.4	-44.2	175.5	-174.4	178.6	177.5	-178.3	0	112.4	Q282 R283 A284 Y288 K289	Q282-K286 WeakPolarHBondContact O-CB 3.28Å; Q282-K286 PolarHBondContact O-N 2.81Å; R283-K286 PolarHBondContact O-N 2.99Å; A284-K286 VanDerWaalsContact C-N 3.31Å; A284-K286 PolarHBondContact O-N 3.16Å; K286-Y288 PolarHBondContact O-N 2.86Å; K286-K289 WeakPolarHBondContact O-CB 3.48Å; K286-K289 PolarHBondContact O-N 3.16Å
287	L	94.5	Very high	93.9	Very high	79 Å²	79	99.9 Å²	99.9	41%	0.414	48%	0.484	S	S	.	.	H	α-helix	trans	-60	-43.6	-178.1	174.6	62.8	0	0	0	112.3	M279 R283 A284 K426	M279-L287 HydrophobicContact CE-CD2 3.95Å; R283-L287 WeakPolarHBondContact O-CB 3.47Å; R283-L287 PolarHBondContact O-N 3.35Å; A284-L287 PolarHBondContact O-N 2.81Å; L287-K426 HydrophobicContact CD1-CD 4.28Å
288	Y	96.1	Very high	94.7	Very high	61 Å²	61	91.9 Å²	91.9	24%	0.239	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	1	-175.7	-65.9	-50	0	0	0	114.3	R260 P264 A284 K286 L290 K426	R260-Y288 PolarHBondContact NH2-O 2.98Å; P264-Y288 HydrophobicContact CB-CD2 3.94Å; P264-Y288 HydrophobicContact CG-CD2 4.14Å; A284-Y288 WeakPolarHBondContact O-CD2 3.36Å; A284-Y288 PolarHBondContact O-N 2.67Å; A284-Y288 VanDerWaalsContact O-N 3.12Å; K286-Y288 PolarHBondContact O-N 2.86Å; Y288-L290 PolarHBondContact O-N 2.78Å; Y288-K426 HydrophobicContact CD1-CB 4.31Å; Y288-K426 HydrophobicContact CE1-CB 4.04Å
289	K	97.3	Very high	95.4	Very high	167 Å²	167	86.1 Å²	86.1	73%	0.726	43%	0.429	S	S	*	.			trans	-63.7	104.4	-176.2	-174.8	-174.4	176.1	-174.6	0	112.5	V285 K286	V285-K289 PolarHBondContact O-N 3.32Å; K286-K289 WeakPolarHBondContact O-CB 3.48Å; K286-K289 PolarHBondContact O-N 3.16Å
290	L	98	Very high	95.9	Very high	6 Å²	6	85.1 Å²	85.1	3%	0.031	42%	0.421	C	S	.	.			trans	-78.4	157.2	164.9	-59.3	169.3	0	0	0	111.1	L262 Y288 F396 L399 I400 K403	L262-L290 HydrophobicContact CD2-CD1 3.82Å; Y288-L290 PolarHBondContact O-N 2.78Å; L290-F396 HydrophobicContact CD2-CD2 4.02Å; L290-F396 HydrophobicContact CD2-CE2 3.59Å; L290-F396 HydrophobicContact CD2-CZ 4.15Å; L290-L399 HydrophobicContact CD1-CB 3.67Å; L290-L399 WeakPolarHBondContact CD1-O 3.38Å; L290-L399 HydrophobicContact CD2-CB 4.47Å; L290-I400 HydrophobicContact CB-CG1 4.03Å; L290-K403 HydrophobicContact CB-CD 3.8Å; L290-K403 HydrophobicContact CD1-CB 4.27Å; L290-K403 HydrophobicContact CD1-CD 4.05Å; L290-K403 HydrophobicContact CG-CD 4.39Å; L290-K403 PolarHBondContact O-NZ 2.98Å
291	P	97.5	Very high	96.2	Very high	53 Å²	53	87.1 Å²	87.1	34%	0.344	42%	0.421	S	S	.	.			trans	-67.9	-167.4	172.4	32.5	-38.1	0	0	0	112.3	F396 I400 K403	P291-F396 HydrophobicContact CG-CE1 4.18Å; P291-F396 HydrophobicContact CG-CZ 4.25Å; P291-I400 HydrophobicContact CG-CD1 3.48Å; P291-I400 VanDerWaalsContact CG-CD1 3.48Å; P291-I400 HydrophobicContact CG-CG1 3.94Å; P291-K403 PolarHBondContact O-NZ 3.49Å
292	K	96.1	Very high	96.5	Very high	163 Å²	163	84.3 Å²	84.3	71%	0.709	41%	0.406	S	S	*	.	S	Bend	trans	-96.5	-35.6	173	-71.4	-172.2	176.3	-174.5	0	113.1	N404	K292-N404 PolarHBondContact O-ND2 2.99Å
293	E	97.3	Very high	96.7	Very high	151 Å²	151	80.2 Å²	80.2	71%	0.706	39%	0.387	S	S	*	.	S	Bend	trans	-110.5	147	-174	-73.4	143.6	-135.6	0	0	110.3
294	T	97.7	Very high	96.9	Very high	48 Å²	48	76.5 Å²	76.5	29%	0.294	39%	0.388	S	S	.	.			trans	-70.2	148.4	170.4	49.2	0	0	0	0	110.2	M299 D397 I400 L401	T294-M299 HydrophobicContact CG2-SD 4.15Å; T294-D397 VanDerWaalsContact CA-OD1 3.29Å; T294-D397 WeakPolarHBondContact CA-OD1 3.16Å; T294-D397 HydrophobicContact CG2-CB 3.7Å; T294-I400 HydrophobicContact CG2-CB 4.38Å; T294-I400 HydrophobicContact CG2-CG2 4.23Å; T294-L401 HydrophobicContact CG2-CD1 4.08Å; T294-L401 HydrophobicContact CG2-CD2 4.14Å; T294-L401 HydrophobicContact CG2-CG 3.79Å
295	K	96.6	Very high	97.1	Very high	125 Å²	125	83.1 Å²	83.1	54%	0.543	41%	0.412	S	S	.	.			trans	-93	-28.3	-178.7	-62.7	165.1	171.9	173.4	0	113.6	P297 F396 D397	K295-P297 VanDerWaalsContact O-CD 3.27Å; K295-P297 WeakPolarHBondContact O-CD 3.49Å; K295-F396 HydrophobicContact CD-CD1 4.29Å; K295-F396 HydrophobicContact CD-CE1 4Å; K295-D397 VanDerWaalsContact N-CG 3.35Å; K295-D397 PolarHBondContact N-OD1 2.79Å; K295-D397 PolarHBondContact N-OD2 3.19Å
296	T	97.8	Very high	97.3	Very high	15 Å²	15	80.2 Å²	80.2	9%	0.092	39%	0.394	C	S	.	.	S	Bend	trans	-71.1	116.5	-176.2	-53.6	0	0	0	0	110.5	M299 V348 T389 D397	T296-M299 WeakPolarHBondContact O-CB 3.37Å; T296-M299 PolarHBondContact O-N 2.8Å; T296-V348 HydrophobicContact CG2-CB 4.44Å; T296-V348 HydrophobicContact CG2-CG1 3.75Å; T296-V348 HydrophobicContact CG2-CG2 3.76Å; T296-T389 HydrophobicContact CG2-CG2 3.71Å; T296-T389 WeakPolarHBondContact CG2-OG1 3.33Å; T296-D397 VanDerWaalsContact CB-OD2 3.25Å; T296-D397 WeakPolarHBondContact CB-OD2 3.26Å; T296-D397 PolarHBondContact N-OD2 2.93Å; T296-D397 PolarHBondContact OG1-OD2 2.66Å
297	P	97	Very high	97.4	Very high	113 Å²	113	72.5 Å²	72.5	73%	0.734	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	148	175.1	-19.5	33.6	0	0	0	110.9	K295 M299	K295-P297 VanDerWaalsContact O-CD 3.27Å; K295-P297 WeakPolarHBondContact O-CD 3.49Å; P297-M299 PolarHBondContact O-N 2.97Å
298	G	97.3	Very high	97.5	Very high	40 Å²	40	76.1 Å²	76.1	41%	0.412	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	1.7	179.7	0	0	0	0	0	115.2	R300 E349	G298-R300 PolarHBondContact O-N 2.77Å; G298-E349 WeakPolarHBondContact CA-O 3.29Å; G298-E349 PolarHBondContact O-N 2.68Å
299	M	98	Very high	97.6	Very high	27 Å²	27	76.1 Å²	76.1	13%	0.133	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	119.5	172.9	-166.8	178	-165.8	0	0	110.8	T294 T296 P297 Y346 V347 V348 V358 L394 D397 L401	T294-M299 HydrophobicContact CG2-SD 4.15Å; T296-M299 WeakPolarHBondContact O-CB 3.37Å; T296-M299 PolarHBondContact O-N 2.8Å; P297-M299 PolarHBondContact O-N 2.97Å; M299-Y346 HydrophobicContact CE-CG 4.22Å; M299-V347 CarbonylContact C-O 3.59Å; M299-V347 WeakPolarHBondContact CA-O 3.32Å; M299-V348 HydrophobicContact CB-CG2 4.3Å; M299-V348 HydrophobicContact CG-CG2 4.32Å; M299-V358 HydrophobicContact CE-CG1 3.59Å; M299-L394 HydrophobicContact CE-CD1 4.36Å; M299-D397 HydrophobicContact CE-CB 4.25Å; M299-D397 HydrophobicContact SD-CB 3.57Å; M299-D397 VanDerWaalsContact SD-CB 3.57Å; M299-L401 HydrophobicContact CE-CD1 3.49Å; M299-L401 VanDerWaalsContact CE-CD1 3.49Å; M299-L401 HydrophobicContact SD-CD1 3.88Å
300	R	97.9	Very high	97.6	Very high	48 Å²	48	68.1 Å²	68.1	18%	0.181	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	168.6	178.1	63.3	167.5	177.1	75.6	3.4	111.8	G298 E303 D306 Y346 V347 E349	G298-R300 PolarHBondContact O-N 2.77Å; R300-E303 IonicContact CZ-OE1 2.67Å; R300-E303 IonicContact NE-OE1 2.69Å; R300-E303 IonicContact NH1-OE1 2.71Å; R300-E303 PolarHBondContact NH1-OE1 2.97Å; R300-D306 IonicContact CZ-OD1 3.04Å; R300-D306 IonicContact CZ-OD2 3.31Å; R300-D306 IonicContact NH1-OD1 3.89Å; R300-D306 IonicContact NH1-OD2 3.71Å; R300-D306 PolarHBondContact NH1-OD2 3.01Å; R300-D306 IonicContact NH2-OD1 3.3Å; R300-D306 PolarHBondContact NH2-OD1 3.41Å; R300-D306 IonicContact NH2-OD2 2.82Å; R300-D306 PolarHBondContact NH2-OD2 2.87Å; R300-Y346 CarbonylContact O-C 3.58Å; R300-Y346 WeakPolarHBondContact O-CA 3.34Å; R300-Y346 WeakPolarHBondContact O-CB 3.2Å; R300-V347 HydrophobicContact CG-CG2 3.86Å; R300-V347 PolarHBondContact N-O 2.76Å; R300-V347 PolarHBondContact O-N 3.28Å; R300-E349 IonicContact CZ-OE2 3.19Å; R300-E349 IonicContact NE-OE2 2.68Å; R300-E349 PolarHBondContact NE-OE2 2.85Å; R300-E349 IonicContact NH2-OE2 2.77Å; R300-E349 PolarHBondContact NH2-OE2 2.88Å
301	R	98.2	Very high	97.6	Very high	109 Å²	109	70.9 Å²	70.9	41%	0.411	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	143.5	172.8	-158.7	173.3	-156.3	-146.1	4.8	109.7	P338 D344 Y346	R301-P338 HydrophobicContact CG-CB 4.16Å; R301-P338 HydrophobicContact CG-CG 3.91Å; R301-P338 VanDerWaalsContact CZ-CB 3.45Å; R301-D344 IonicContact CZ-OD1 3.7Å; R301-D344 IonicContact NE-OD1 3.9Å; R301-D344 IonicContact NH2-OD1 3.89Å; R301-D344 PolarHBondContact NH2-OD1 2.83Å; R301-Y346 HydrophobicContact CB-CD1 4.33Å; R301-Y346 HydrophobicContact CB-CE1 4.29Å; R301-Y346 HydrophobicContact CG-CE1 4.37Å
302	M	98.4	Very high	97.6	Very high	8 Å²	8	73.5 Å²	73.5	4%	0.039	36%	0.363	C	S	.	.			trans	-67.7	141.6	177.2	-175.9	-178.5	173.9	0	0	111.2	D306 V307 V310 F336 M337 P338 S345 V347 F357	M302-D306 HydrophobicContact CE-CB 4.37Å; M302-D306 HydrophobicContact CG-CB 4.08Å; M302-V307 HydrophobicContact CE-CB 4.28Å; M302-V307 HydrophobicContact CE-CG2 3.73Å; M302-V310 HydrophobicContact CE-CB 3.95Å; M302-V310 HydrophobicContact CE-CG1 4.12Å; M302-V310 HydrophobicContact CE-CG2 3.93Å; M302-V310 HydrophobicContact SD-CG1 4.4Å; M302-V310 HydrophobicContact SD-CG2 4.28Å; M302-F336 HydrophobicContact CE-CB 4.47Å; M302-F336 HydrophobicContact SD-CB 4.08Å; M302-M337 HydrophobicContact CE-CE 4.28Å; M302-P338 HydrophobicContact CB-CG 4.07Å; M302-S345 PolarHBondContact N-O 3.12Å; M302-V347 HydrophobicContact CB-CG1 4.25Å; M302-V347 HydrophobicContact CG-CG1 4.2Å; M302-F357 HydrophobicContact SD-CD2 4.44Å; M302-F357 HydrophobicContact SD-CE2 3.73Å
303	E	98.2	Very high	97.6	Very high	78 Å²	78	66.5 Å²	66.5	36%	0.364	33%	0.333	S	S	.	.			trans	-123.8	163.7	-179.2	-64.9	172.4	-140.3	0	0	111.5	R300 R305 D306	R300-E303 IonicContact CZ-OE1 2.67Å; R300-E303 IonicContact NE-OE1 2.69Å; R300-E303 IonicContact NH1-OE1 2.71Å; R300-E303 PolarHBondContact NH1-OE1 2.97Å; E303-R305 HydrophobicContact CB-CG 4.02Å; E303-R305 VanDerWaalsContact CD-NH2 3.26Å; E303-R305 PolarHBondContact O-N 3.49Å; E303-R305 VanDerWaalsContact O-N 3.11Å; E303-R305 IonicContact OE1-CZ 3.64Å; E303-R305 IonicContact OE1-NE 3.45Å; E303-R305 IonicContact OE1-NH2 2.73Å; E303-R305 PolarHBondContact OE1-NH2 3.38Å; E303-R305 IonicContact OE2-CZ 3.62Å; E303-R305 VanDerWaalsContact OE2-CZ 3.31Å; E303-R305 IonicContact OE2-NE 2.69Å; E303-R305 PolarHBondContact OE2-NE 3.26Å; E303-R305 IonicContact OE2-NH2 3.61Å; E303-R305 PolarHBondContact OE2-NH2 3.25Å; E303-D306 PolarHBondContact N-OD2 3.31Å; E303-D306 WeakPolarHBondContact O-CB 3.35Å; E303-D306 PolarHBondContact O-N 3.43Å
304	A	97.8	Very high	97.6	Very high	69 Å²	69	59.4 Å²	59.4	57%	0.57	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-56.7	-29.2	-179.6	0	0	0	0	0	114.2	D306 V307 F333 M337	A304-D306 VanDerWaalsContact C-N 3.29Å; A304-D306 PolarHBondContact O-N 2.88Å; A304-V307 WeakPolarHBondContact O-CG2 3.37Å; A304-F333 HydrophobicContact CB-CE2 4.27Å; A304-M337 HydrophobicContact CB-CE 4.4Å
305	R	97.4	Very high	97.5	Very high	144 Å²	144	59.3 Å²	59.3	54%	0.543	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-65.7	-28.7	174.9	55	173.4	166	131.6	4.1	113.5	E303 E349	E303-R305 HydrophobicContact CB-CG 4.02Å; E303-R305 VanDerWaalsContact CD-NH2 3.26Å; E303-R305 PolarHBondContact O-N 3.49Å; E303-R305 VanDerWaalsContact O-N 3.11Å; E303-R305 IonicContact OE1-CZ 3.64Å; E303-R305 IonicContact OE1-NE 3.45Å; E303-R305 IonicContact OE1-NH2 2.73Å; E303-R305 PolarHBondContact OE1-NH2 3.38Å; E303-R305 IonicContact OE2-CZ 3.62Å; E303-R305 VanDerWaalsContact OE2-CZ 3.31Å; E303-R305 IonicContact OE2-NE 2.69Å; E303-R305 PolarHBondContact OE2-NE 3.26Å; E303-R305 IonicContact OE2-NH2 3.61Å; E303-R305 PolarHBondContact OE2-NH2 3.25Å; R305-E349 IonicContact NH1-OE1 2.79Å; R305-E349 IonicContact NH1-OE2 3.36Å
306	D	98.1	Very high	97.4	Very high	7 Å²	7	59 Å²	59	4%	0.037	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-79.2	-21.8	-173	-52.9	-39.7	0	0	0	112.8	R300 M302 E303 A304 K308 V309 V310 V347	R300-D306 IonicContact CZ-OD1 3.04Å; R300-D306 IonicContact CZ-OD2 3.31Å; R300-D306 IonicContact NH1-OD1 3.89Å; R300-D306 IonicContact NH1-OD2 3.71Å; R300-D306 PolarHBondContact NH1-OD2 3.01Å; R300-D306 IonicContact NH2-OD1 3.3Å; R300-D306 PolarHBondContact NH2-OD1 3.41Å; R300-D306 IonicContact NH2-OD2 2.82Å; R300-D306 PolarHBondContact NH2-OD2 2.87Å; M302-D306 HydrophobicContact CE-CB 4.37Å; M302-D306 HydrophobicContact CG-CB 4.08Å; E303-D306 PolarHBondContact N-OD2 3.31Å; E303-D306 WeakPolarHBondContact O-CB 3.35Å; E303-D306 PolarHBondContact O-N 3.43Å; A304-D306 VanDerWaalsContact C-N 3.29Å; A304-D306 PolarHBondContact O-N 2.88Å; D306-K308 PolarHBondContact O-N 2.85Å; D306-V309 PolarHBondContact O-N 2.83Å; D306-V310 HydrophobicContact CB-CG2 4Å; D306-V310 PolarHBondContact O-N 3.03Å; D306-V347 HydrophobicContact CB-CG1 4.37Å
307	V	97.8	Very high	97.3	Very high	11 Å²	11	59.3 Å²	59.3	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-50.2	-41	-169.3	177.4	0	0	0	0	112.8	M302 A304 R311 L329 M332 F333 M337	M302-V307 HydrophobicContact CE-CB 4.28Å; M302-V307 HydrophobicContact CE-CG2 3.73Å; A304-V307 WeakPolarHBondContact O-CG2 3.37Å; V307-R311 WeakPolarHBondContact O-CB 3.45Å; V307-R311 PolarHBondContact O-N 3.2Å; V307-L329 HydrophobicContact CG1-CD2 4.18Å; V307-M332 HydrophobicContact CG1-CB 3.84Å; V307-F333 HydrophobicContact CG2-CD2 4.18Å; V307-M337 HydrophobicContact CG2-CE 3.4Å; V307-M337 VanDerWaalsContact CG2-CE 3.4Å
308	K	97.7	Very high	97.1	Very high	156 Å²	156	54.1 Å²	54.1	68%	0.678	27%	0.265	S	S	*	.	H	α-helix	trans	-68.8	-37.7	178.6	-68.7	-178.6	178.5	179.5	0	113	D306 H312 L329	D306-K308 PolarHBondContact O-N 2.85Å; K308-H312 PolarHBondContact O-N 3.17Å; K308-L329 HydrophobicContact CB-CD2 4.46Å; K308-L329 HydrophobicContact CG-CD1 4.42Å; K308-L329 HydrophobicContact CG-CD2 3.8Å
309	V	97.5	Very high	97	Very high	60 Å²	60	54.7 Å²	54.7	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-77.4	-45.4	-179.6	-174.1	0	0	0	0	110.3	D306 R311 H312 L313 V354	D306-V309 PolarHBondContact O-N 2.83Å; V309-R311 VanDerWaalsContact C-N 3.27Å; V309-R311 PolarHBondContact O-N 3.38Å; V309-H312 WeakPolarHBondContact O-CB 3.39Å; V309-H312 PolarHBondContact O-N 2.74Å; V309-L313 HydrophobicContact CG1-CD1 4.27Å; V309-L313 WeakPolarHBondContact O-CG 3.43Å; V309-L313 PolarHBondContact O-N 2.71Å; V309-V354 HydrophobicContact CG1-CB 3.99Å; V309-V354 HydrophobicContact CG1-CG1 4.45Å
310	V	97.9	Very high	96.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.1	-39.8	173.7	175.7	0	0	0	0	110.6	M302 D306 H312 L314 M332 V347 V354 F357	M302-V310 HydrophobicContact CE-CB 3.95Å; M302-V310 HydrophobicContact CE-CG1 4.12Å; M302-V310 HydrophobicContact CE-CG2 3.93Å; M302-V310 HydrophobicContact SD-CG1 4.4Å; M302-V310 HydrophobicContact SD-CG2 4.28Å; D306-V310 HydrophobicContact CB-CG2 4Å; D306-V310 PolarHBondContact O-N 3.03Å; V310-H312 PolarHBondContact O-N 3.21Å; V310-L314 WeakPolarHBondContact O-CB 3.47Å; V310-L314 PolarHBondContact O-N 2.82Å; V310-M332 HydrophobicContact CB-CE 4.47Å; V310-M332 HydrophobicContact CG1-CE 3.79Å; V310-V347 HydrophobicContact CG2-CG1 3.62Å; V310-V354 HydrophobicContact CG2-CG1 4.26Å; V310-F357 HydrophobicContact CB-CD2 4.43Å; V310-F357 HydrophobicContact CG1-CB 4.42Å; V310-F357 HydrophobicContact CG1-CD1 4.08Å; V310-F357 HydrophobicContact CG1-CD2 3.48Å; V310-F357 VanDerWaalsContact CG1-CD2 3.48Å; V310-F357 HydrophobicContact CG1-CE1 4.2Å; V310-F357 HydrophobicContact CG1-CE2 3.6Å; V310-F357 HydrophobicContact CG1-CG 3.72Å; V310-F357 HydrophobicContact CG1-CZ 3.97Å; V310-F357 HydrophobicContact CG2-CD2 4.01Å
311	R	97.4	Very high	96.6	Very high	64 Å²	64	55.3 Å²	55.3	24%	0.242	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-43.8	172.6	-172.6	179	178.1	-64.3	-24	112.4	V307 V309 L314 D315 F327 L329 M332	V307-R311 WeakPolarHBondContact O-CB 3.45Å; V307-R311 PolarHBondContact O-N 3.2Å; V309-R311 VanDerWaalsContact C-N 3.27Å; V309-R311 PolarHBondContact O-N 3.38Å; R311-L314 PolarHBondContact O-N 2.89Å; R311-D315 IonicContact CZ-OD1 3.16Å; R311-D315 IonicContact CZ-OD2 3.42Å; R311-D315 IonicContact NE-OD2 2.73Å; R311-D315 IonicContact NH1-OD2 3.64Å; R311-D315 PolarHBondContact NH1-OD2 3.33Å; R311-D315 IonicContact NH2-OD1 2.71Å; R311-D315 PolarHBondContact NH2-OD1 3.07Å; R311-D315 IonicContact NH2-OD2 3.23Å; R311-D315 PolarHBondContact NH2-OD2 3.46Å; R311-D315 WeakPolarHBondContact O-CB 3.44Å; R311-D315 VanDerWaalsContact O-CG 3.29Å; R311-D315 PolarHBondContact O-N 2.82Å; R311-F327 PolarHBondContact NE-O 2.9Å; R311-F327 PolarHBondContact NH2-O 3.09Å; R311-L329 HydrophobicContact CB-CD2 4.32Å; R311-M332 HydrophobicContact CB-CE 4.25Å; R311-M332 HydrophobicContact CB-CG 3.84Å; R311-M332 HydrophobicContact CB-SD 4.38Å; R311-M332 HydrophobicContact CG-CG 3.7Å; R311-M332 HydrophobicContact CG-SD 4.32Å
312	H	97.5	Very high	96.5	Very high	108 Å²	108	51.7 Å²	51.7	50%	0.5	26%	0.262	S	S	.	.	H	α-helix	trans	-66.2	-46.5	179.7	-176.7	66.5	0	0	0	112.3	K308 V309 V310 L314 D315 Q316	K308-H312 PolarHBondContact O-N 3.17Å; V309-H312 WeakPolarHBondContact O-CB 3.39Å; V309-H312 PolarHBondContact O-N 2.74Å; V310-H312 PolarHBondContact O-N 3.21Å; H312-L314 VanDerWaalsContact C-N 3.31Å; H312-L314 PolarHBondContact O-N 3.15Å; H312-D315 PolarHBondContact O-N 2.86Å; H312-Q316 PolarHBondContact CE1-NE2 2.88Å; H312-Q316 PolarHBondContact NE2-NE2 3.04Å; H312-Q316 WeakPolarHBondContact O-CG 3.32Å; H312-Q316 PolarHBondContact O-N 2.79Å; H312-Q316 VanDerWaalsContact O-N 3.08Å
313	L	97.2	Very high	96.3	Very high	16 Å²	16	51.3 Å²	51.3	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-59.5	-42.4	174.2	-69.5	172.2	0	0	0	111.5	V309 H317 V354 V385 T387	V309-L313 HydrophobicContact CG1-CD1 4.27Å; V309-L313 WeakPolarHBondContact O-CG 3.43Å; V309-L313 PolarHBondContact O-N 2.71Å; L313-H317 WeakPolarHBondContact O-CB 3.18Å; L313-H317 PolarHBondContact O-N 3Å; L313-V354 HydrophobicContact CD1-CG1 3.93Å; L313-V385 HydrophobicContact CB-CG1 4.18Å; L313-T387 HydrophobicContact CD2-CG2 4.09Å
314	L	95.9	Very high	96.2	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-67.7	-53.3	178.2	-168.7	57.9	0	0	0	110.6	V310 R311 H312 Q316 H317 L318 F327 M332 F336 Y383 V385	V310-L314 WeakPolarHBondContact O-CB 3.47Å; V310-L314 PolarHBondContact O-N 2.82Å; R311-L314 PolarHBondContact O-N 2.89Å; H312-L314 VanDerWaalsContact C-N 3.31Å; H312-L314 PolarHBondContact O-N 3.15Å; L314-Q316 VanDerWaalsContact C-N 3.25Å; L314-Q316 PolarHBondContact O-N 3.23Å; L314-H317 CarbonylContact O-C 3.6Å; L314-H317 WeakPolarHBondContact O-CA 3.48Å; L314-H317 PolarHBondContact O-N 2.97Å; L314-L318 HydrophobicContact CD1-CD2 3.74Å; L314-L318 HydrophobicContact CD1-CG 4.05Å; L314-L318 HydrophobicContact CG-CD1 4.18Å; L314-L318 HydrophobicContact CG-CD2 4.11Å; L314-L318 HydrophobicContact CG-CG 3.93Å; L314-L318 WeakPolarHBondContact O-CB 3.32Å; L314-L318 VanDerWaalsContact O-CG 3.25Å; L314-L318 WeakPolarHBondContact O-CG 3.25Å; L314-L318 PolarHBondContact O-N 3.4Å; L314-F327 HydrophobicContact CD2-CD2 3.97Å; L314-F327 HydrophobicContact CD2-CE2 3.96Å; L314-M332 HydrophobicContact CD2-CE 3.8Å; L314-M332 HydrophobicContact CD2-SD 3.79Å; L314-F336 HydrophobicContact CD2-CE2 3.75Å; L314-F336 HydrophobicContact CD2-CZ 3.72Å; L314-Y383 HydrophobicContact CD1-CD1 4.1Å; L314-V385 HydrophobicContact CB-CG2 4.44Å; L314-V385 HydrophobicContact CD1-CG2 3.79Å
315	D	95.3	Very high	96	Very high	47 Å²	47	44.7 Å²	44.7	25%	0.251	22%	0.219	S	C	.	.	H	α-helix	trans	-49.6	-44.7	176.4	-78.2	-17.6	0	0	0	112.2	R311 H312 G319	R311-D315 IonicContact CZ-OD1 3.16Å; R311-D315 IonicContact CZ-OD2 3.42Å; R311-D315 IonicContact NE-OD2 2.73Å; R311-D315 IonicContact NH1-OD2 3.64Å; R311-D315 PolarHBondContact NH1-OD2 3.33Å; R311-D315 IonicContact NH2-OD1 2.71Å; R311-D315 PolarHBondContact NH2-OD1 3.07Å; R311-D315 IonicContact NH2-OD2 3.23Å; R311-D315 PolarHBondContact NH2-OD2 3.46Å; R311-D315 WeakPolarHBondContact O-CB 3.44Å; R311-D315 VanDerWaalsContact O-CG 3.29Å; R311-D315 PolarHBondContact O-N 2.82Å; H312-D315 PolarHBondContact O-N 2.86Å; D315-G319 PolarHBondContact O-N 3.05Å; D315-G319 VanDerWaalsContact O-N 3.15Å
316	Q	95.7	Very high	95.9	Very high	117 Å²	117	40.2 Å²	40.2	55%	0.547	21%	0.207	S	C	.	.	H	α-helix	trans	-62.2	-46.6	175.1	-75.2	177.9	-22.1	0	0	112.4	H312 L314 G319	H312-Q316 PolarHBondContact CE1-NE2 2.88Å; H312-Q316 PolarHBondContact NE2-NE2 3.04Å; H312-Q316 WeakPolarHBondContact O-CG 3.32Å; H312-Q316 PolarHBondContact O-N 2.79Å; H312-Q316 VanDerWaalsContact O-N 3.08Å; L314-Q316 VanDerWaalsContact C-N 3.25Å; L314-Q316 PolarHBondContact O-N 3.23Å; Q316-G319 PolarHBondContact O-N 3.1Å
317	H	94.9	Very high	95.8	Very high	22 Å²	22	40.2 Å²	40.2	10%	0.102	21%	0.207	C	C	.	.	H	α-helix	trans	-68.8	-37.6	179.2	-171.1	98.1	0	0	0	112.5	L313 L314 G319 K320 F321 V385 D417	L313-H317 WeakPolarHBondContact O-CB 3.18Å; L313-H317 PolarHBondContact O-N 3Å; L314-H317 CarbonylContact O-C 3.6Å; L314-H317 WeakPolarHBondContact O-CA 3.48Å; L314-H317 PolarHBondContact O-N 2.97Å; H317-G319 VanDerWaalsContact C-N 3.26Å; H317-G319 PolarHBondContact O-N 3.34Å; H317-K320 PolarHBondContact CE1-NZ 3.23Å; H317-K320 VanDerWaalsContact CE1-NZ 3.27Å; H317-K320 WeakPolarHBondContact O-CE 3.47Å; H317-K320 WeakPolarHBondContact O-CG 3.35Å; H317-F321 AromaticContact CD2-CE2 3.6Å; H317-F321 AromaticContact NE2-CE2 3.68Å; H317-F321 AromaticContact NE2-CZ 3.82Å; H317-F321 WeakPolarHBondContact O-CD2 3.36Å; H317-F321 VanDerWaalsContact O-CE2 3.23Å; H317-F321 WeakPolarHBondContact O-CE2 3.46Å; H317-V385 HydrophobicContact CB-CB 4.4Å; H317-V385 HydrophobicContact CB-CG1 3.86Å; H317-V385 HydrophobicContact CB-CG2 3.78Å; H317-D417 IonicContact CE1-OD2 3.79Å; H317-D417 PolarHBondContact CE1-OD2 2.92Å; H317-D417 IonicContact NE2-OD2 2.73Å
318	L	93.9	Very high	95.7	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-63	-32.7	175.7	-65.5	-165.6	0	0	0	111.4	R195 L314 K320 F321 A324 P325 F327 Y383 I452	R195-L318 PolarHBondContact NH2-O 2.66Å; L314-L318 HydrophobicContact CD1-CD2 3.74Å; L314-L318 HydrophobicContact CD1-CG 4.05Å; L314-L318 HydrophobicContact CG-CD1 4.18Å; L314-L318 HydrophobicContact CG-CD2 4.11Å; L314-L318 HydrophobicContact CG-CG 3.93Å; L314-L318 WeakPolarHBondContact O-CB 3.32Å; L314-L318 VanDerWaalsContact O-CG 3.25Å; L314-L318 WeakPolarHBondContact O-CG 3.25Å; L314-L318 PolarHBondContact O-N 3.4Å; L318-K320 PolarHBondContact O-N 3.13Å; L318-K320 VanDerWaalsContact O-N 3.08Å; L318-F321 PolarHBondContact O-N 2.89Å; L318-A324 HydrophobicContact CB-CB 4.4Å; L318-P325 HydrophobicContact CD1-CG 4Å; L318-P325 WeakPolarHBondContact CD1-O 3.32Å; L318-F327 HydrophobicContact CD1-CD2 4.44Å; L318-F327 HydrophobicContact CD1-CE2 4.48Å; L318-Y383 HydrophobicContact CD2-CD1 4.22Å; L318-Y383 HydrophobicContact CD2-CE1 4.23Å; L318-I452 HydrophobicContact CD2-CD1 3.23Å; L318-I452 HydrophobicContact CD2-CG1 3.71Å; L318-I452 HydrophobicContact CD2-CG2 4.19Å
319	G	93.7	Very high	95.7	Very high	51 Å²	51	37.8 Å²	37.8	53%	0.526	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.4	-172.4	0	0	0	0	0	116.5	D315 Q316 H317	D315-G319 PolarHBondContact O-N 3.05Å; D315-G319 VanDerWaalsContact O-N 3.15Å; Q316-G319 PolarHBondContact O-N 3.1Å; H317-G319 VanDerWaalsContact C-N 3.26Å; H317-G319 PolarHBondContact O-N 3.34Å
320	K	93.4	Very high	95.7	Very high	87 Å²	87	40.3 Å²	40.3	38%	0.378	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-16.5	-179.9	73	-164.4	176.4	170.6	0	114.8	H317 L318 D417 K450	H317-K320 PolarHBondContact CE1-NZ 3.23Å; H317-K320 VanDerWaalsContact CE1-NZ 3.27Å; H317-K320 WeakPolarHBondContact O-CE 3.47Å; H317-K320 WeakPolarHBondContact O-CG 3.35Å; L318-K320 PolarHBondContact O-N 3.13Å; L318-K320 VanDerWaalsContact O-N 3.08Å; K320-D417 IonicContact NZ-OD1 3.49Å; K320-D417 PolarHBondContact NZ-OD1 3.42Å; K320-D417 VanDerWaalsContact NZ-OD1 3.15Å; K320-D417 IonicContact NZ-OD2 3.25Å; K320-D417 PolarHBondContact NZ-OD2 3.19Å; K320-K450 PolarHBondContact O-NZ 3.03Å
321	F	95	Very high	95.7	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	22%	0.22	C	C	.	.			trans	-89.4	157.4	-179.3	-57.2	-71.4	0	0	0	111.3	R195 H317 L318 M416 E449 I452	R195-F321 VanDerWaalsContact CZ-O 3.24Å; R195-F321 PolarHBondContact NH1-O 2.93Å; R195-F321 PolarHBondContact NH2-O 3.43Å; H317-F321 AromaticContact CD2-CE2 3.6Å; H317-F321 AromaticContact NE2-CE2 3.68Å; H317-F321 AromaticContact NE2-CZ 3.82Å; H317-F321 WeakPolarHBondContact O-CD2 3.36Å; H317-F321 VanDerWaalsContact O-CE2 3.23Å; H317-F321 WeakPolarHBondContact O-CE2 3.46Å; L318-F321 PolarHBondContact O-N 2.89Å; F321-M416 VanDerWaalsContact CE1-CA 3.45Å; F321-M416 HydrophobicContact CE1-CB 4.15Å; F321-M416 HydrophobicContact CZ-CB 3.84Å; F321-M416 HydrophobicContact CZ-CG 4.22Å; F321-E449 WeakPolarHBondContact CD1-O 3.15Å; F321-E449 VanDerWaalsContact CE1-O 3.25Å; F321-E449 WeakPolarHBondContact CE1-O 3.24Å; F321-I452 HydrophobicContact CB-CB 4.31Å; F321-I452 HydrophobicContact CB-CG2 3.53Å; F321-I452 HydrophobicContact CD2-CB 3.94Å; F321-I452 HydrophobicContact CD2-CD1 3.53Å; F321-I452 HydrophobicContact CD2-CG1 4.33Å; F321-I452 HydrophobicContact CD2-CG2 3.65Å; F321-I452 HydrophobicContact CE2-CB 4.35Å; F321-I452 HydrophobicContact CE2-CD1 3.29Å; F321-I452 HydrophobicContact CE2-CG1 4.4Å; F321-I452 HydrophobicContact CE2-CG2 4.49Å; F321-I452 HydrophobicContact CG-CB 4.03Å; F321-I452 HydrophobicContact CG-CD1 4.42Å; F321-I452 HydrophobicContact CG-CG2 3.7Å; F321-I452 HydrophobicContact CZ-CD1 4.05Å
322	D	95.3	Very high	95.7	Very high	33 Å²	33	38.3 Å²	38.3	18%	0.176	21%	0.208	C	C	.	.	S	Bend	trans	-100.7	-20.7	-175.2	-61.1	-53.6	0	0	0	113.4	V196 Y197 M446 K450	V196-D322 CarbonylContact C-O 3.54Å; V196-D322 WeakPolarHBondContact CA-O 2.89Å; Y197-D322 HydrophobicContact CD1-CB 3.63Å; Y197-D322 HydrophobicContact CE1-CB 3.65Å; Y197-D322 HydrophobicContact CG-CB 4.33Å; Y197-D322 PolarHBondContact N-O 3.46Å; D322-M446 HydrophobicContact CB-CE 3.85Å; D322-M446 HydrophobicContact CB-CG 4.18Å; D322-M446 HydrophobicContact CB-SD 3.7Å; D322-M446 WeakPolarHBondContact O-CE 3.16Å; D322-K450 HydrophobicContact CB-CB 4.25Å; D322-K450 PolarHBondContact N-O 3.03Å; D322-K450 IonicContact OD1-NZ 3.57Å; D322-K450 PolarHBondContact OD1-NZ 3.11Å; D322-K450 WeakPolarHBondContact OD2-CB 3.48Å; D322-K450 WeakPolarHBondContact OD2-CD 3.32Å; D322-K450 WeakPolarHBondContact OD2-CE 3.2Å; D322-K450 VanDerWaalsContact OD2-CG 3.25Å; D322-K450 WeakPolarHBondContact OD2-CG 3.34Å; D322-K450 IonicContact OD2-NZ 3.6Å; D322-K450 PolarHBondContact OD2-NZ 3.33Å
323	L	94.8	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	100.7	167.8	179.3	62.7	0	0	0	110.4	I194 R195 V196 V252 Y436 L438 M446 K450 V451 I452	I194-L323 HydrophobicContact CG2-CD1 3.54Å; R195-L323 WeakPolarHBondContact O-CA 3.11Å; V196-L323 HydrophobicContact CG2-CD1 4.01Å; V252-L323 HydrophobicContact CG2-CD2 3.99Å; L323-Y436 HydrophobicContact CD2-CD1 4.37Å; L323-L438 HydrophobicContact CD1-CD2 4.22Å; L323-M446 HydrophobicContact CB-CE 4.09Å; L323-M446 HydrophobicContact CB-SD 3.51Å; L323-M446 VanDerWaalsContact CB-SD 3.51Å; L323-K450 PolarHBondContact N-O 3.13Å; L323-K450 VanDerWaalsContact N-O 3.11Å; L323-V451 HydrophobicContact CB-CG1 4.38Å; L323-V451 HydrophobicContact CB-CG2 4.2Å; L323-V451 HydrophobicContact CD2-CG1 4.07Å; L323-V451 HydrophobicContact CD2-CG2 4.44Å; L323-V451 HydrophobicContact CG-CG1 4.44Å; L323-I452 WeakPolarHBondContact O-CG2 3.41Å; L323-I452 PolarHBondContact O-N 3.49Å
324	A	95.3	Very high	95.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.4	-171.8	0	0	0	0	0	113.4	I194 R195 L318 I452	I194-A324 CarbonylContact C-O 3.59Å; I194-A324 WeakPolarHBondContact CA-O 3.49Å; R195-A324 PolarHBondContact N-O 3.44Å; R195-A324 PolarHBondContact O-N 3.39Å; L318-A324 HydrophobicContact CB-CB 4.4Å; A324-I452 HydrophobicContact CB-CG2 3.33Å
325	P	95	Very high	95.8	Very high	7 Å²	7	38.5 Å²	38.5	5%	0.045	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	166.5	167.2	32.4	-36.3	0	0	0	112	T193 I194 L318 F327 Y383 I452	T193-P325 CarbonylContact O-C 3.43Å; T193-P325 WeakPolarHBondContact O-CA 3.11Å; I194-P325 HydrophobicContact CD1-CB 4.13Å; L318-P325 HydrophobicContact CD1-CG 4Å; L318-P325 WeakPolarHBondContact CD1-O 3.32Å; P325-F327 HydrophobicContact CB-CD1 4.33Å; P325-F327 HydrophobicContact CB-CD2 4.47Å; P325-F327 HydrophobicContact CB-CE1 3.85Å; P325-F327 HydrophobicContact CB-CE2 4Å; P325-F327 HydrophobicContact CB-CZ 3.68Å; P325-F327 HydrophobicContact CG-CD2 4.28Å; P325-F327 HydrophobicContact CG-CE1 4.16Å; P325-F327 HydrophobicContact CG-CE2 3.51Å; P325-F327 HydrophobicContact CG-CZ 3.45Å; P325-F327 VanDerWaalsContact CG-CZ 3.45Å; P325-Y383 HydrophobicContact CG-CE1 4.07Å; P325-I452 WeakPolarHBondContact CD-O 3.23Å
326	V	95.3	Very high	95.9	Very high	49 Å²	49	36.2 Å²	36.2	30%	0.297	20%	0.195	S	C	.	.			trans	-133.5	95.8	170.1	-177.8	0	0	0	0	107.4	T193 R195	T193-V326 HydrophobicContact CG2-CB 3.96Å; T193-V326 HydrophobicContact CG2-CG2 4.49Å; T193-V326 PolarHBondContact O-N 3.06Å; R195-V326 HydrophobicContact CB-CG2 4.05Å
327	F	95.6	Very high	96	Very high	8 Å²	8	32 Å²	32	4%	0.035	18%	0.176	C	C	.	.			trans	-82.8	137.5	-172.5	-59.9	-64.1	0	0	0	112.6	R311 L314 L318 P325 E331 M332 W335 F336 Y383	R311-F327 PolarHBondContact NE-O 2.9Å; R311-F327 PolarHBondContact NH2-O 3.09Å; L314-F327 HydrophobicContact CD2-CD2 3.97Å; L314-F327 HydrophobicContact CD2-CE2 3.96Å; L318-F327 HydrophobicContact CD1-CD2 4.44Å; L318-F327 HydrophobicContact CD1-CE2 4.48Å; P325-F327 HydrophobicContact CB-CD1 4.33Å; P325-F327 HydrophobicContact CB-CD2 4.47Å; P325-F327 HydrophobicContact CB-CE1 3.85Å; P325-F327 HydrophobicContact CB-CE2 4Å; P325-F327 HydrophobicContact CB-CZ 3.68Å; P325-F327 HydrophobicContact CG-CD2 4.28Å; P325-F327 HydrophobicContact CG-CE1 4.16Å; P325-F327 HydrophobicContact CG-CE2 3.51Å; P325-F327 HydrophobicContact CG-CZ 3.45Å; P325-F327 VanDerWaalsContact CG-CZ 3.45Å; F327-E331 HydrophobicContact CB-CB 4.14Å; F327-E331 HydrophobicContact CD1-CB 3.97Å; F327-M332 HydrophobicContact CB-CG 3.77Å; F327-M332 HydrophobicContact CB-SD 3.69Å; F327-M332 HydrophobicContact CD2-SD 3.68Å; F327-M332 HydrophobicContact CG-SD 3.94Å; F327-W335 AromaticContact CD1-CD1 3.97Å; F327-W335 AromaticContact CE1-CD1 3.68Å; F327-F336 HydrophobicContact CD2-CE2 4.02Å; F327-F336 AromaticContact CE2-CE2 3.78Å; F327-F336 HydrophobicContact CE2-CE2 3.78Å; F327-F336 AromaticContact CE2-CZ 3.85Å; F327-F336 HydrophobicContact CE2-CZ 3.85Å; F327-F336 HydrophobicContact CZ-CE2 4.17Å; F327-F336 HydrophobicContact CZ-CZ 4.16Å; F327-Y383 HydrophobicContact CE2-CE1 4.33Å; F327-Y383 HydrophobicContact CZ-CE2 4.38Å
328	S	96.4	Very high	96.2	Very high	42 Å²	42	31.8 Å²	31.8	29%	0.294	18%	0.177	S	C	.	.			trans	-69.8	170.6	158.5	63	0	0	0	0	111.8	D330 E331 M332	S328-D330 VanDerWaalsContact C-N 3.27Å; S328-D330 PolarHBondContact O-N 2.77Å; S328-E331 WeakPolarHBondContact CB-OE2 3.47Å; S328-E331 PolarHBondContact N-OE2 3Å; S328-E331 PolarHBondContact O-N 3.41Å; S328-E331 WeakPolarHBondContact OG-CB 3.24Å; S328-E331 WeakPolarHBondContact OG-CG 3.39Å; S328-E331 PolarHBondContact OG-N 2.91Å; S328-E331 VanDerWaalsContact OG-N 3.15Å; S328-E331 PolarHBondContact OG-OE2 2.87Å; S328-M332 WeakPolarHBondContact O-CB 3.23Å; S328-M332 VanDerWaalsContact O-CG 3.25Å; S328-M332 WeakPolarHBondContact O-CG 3.49Å; S328-M332 PolarHBondContact O-N 3.03Å
329	L	97.4	Very high	96.3	Very high	74 Å²	74	35.4 Å²	35.4	39%	0.387	19%	0.19	S	C	.	.	H	α-helix	trans	-64.6	-32.5	174	-76.8	169.2	0	0	0	112.5	V307 K308 R311 M332 F333	V307-L329 HydrophobicContact CG1-CD2 4.18Å; K308-L329 HydrophobicContact CB-CD2 4.46Å; K308-L329 HydrophobicContact CG-CD1 4.42Å; K308-L329 HydrophobicContact CG-CD2 3.8Å; R311-L329 HydrophobicContact CB-CD2 4.32Å; L329-M332 PolarHBondContact O-N 3.31Å; L329-F333 PolarHBondContact O-N 3.19Å
330	D	97.6	Very high	96.4	Very high	113 Å²	113	40.4 Å²	40.4	60%	0.604	20%	0.2	S	C	*	.	H	α-helix	trans	-72.8	-40.5	178.9	-54.1	-38	0	0	0	110.8	P165 S328 M332 F333 H334	P165-D330 HydrophobicContact CB-CB 4.11Å; P165-D330 HydrophobicContact CG-CB 3.72Å; S328-D330 VanDerWaalsContact C-N 3.27Å; S328-D330 PolarHBondContact O-N 2.77Å; D330-M332 VanDerWaalsContact C-N 3.33Å; D330-F333 PolarHBondContact O-N 2.81Å; D330-H334 WeakPolarHBondContact O-CB 3.32Å; D330-H334 PolarHBondContact O-N 2.78Å
331	E	97	Very high	96.5	Very high	22 Å²	22	39.3 Å²	39.3	10%	0.103	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-39.5	171.8	-74.6	162.4	104.8	0	0	111.1	P165 F327 S328 H334 W335	P165-E331 HydrophobicContact CB-CG 4.4Å; P165-E331 HydrophobicContact CG-CG 4.24Å; F327-E331 HydrophobicContact CB-CB 4.14Å; F327-E331 HydrophobicContact CD1-CB 3.97Å; S328-E331 WeakPolarHBondContact CB-OE2 3.47Å; S328-E331 PolarHBondContact N-OE2 3Å; S328-E331 PolarHBondContact O-N 3.41Å; S328-E331 WeakPolarHBondContact OG-CB 3.24Å; S328-E331 WeakPolarHBondContact OG-CG 3.39Å; S328-E331 PolarHBondContact OG-N 2.91Å; S328-E331 VanDerWaalsContact OG-N 3.15Å; S328-E331 PolarHBondContact OG-OE2 2.87Å; E331-H334 PolarHBondContact O-N 2.88Å; E331-W335 WeakPolarHBondContact O-CB 3.5Å; E331-W335 PolarHBondContact O-N 3.31Å
332	M	97.3	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-42.9	174.5	-74.5	-62.5	-56.1	0	0	112.2	V307 V310 R311 L314 F327 S328 L329 D330 F336	V307-M332 HydrophobicContact CG1-CB 3.84Å; V310-M332 HydrophobicContact CB-CE 4.47Å; V310-M332 HydrophobicContact CG1-CE 3.79Å; R311-M332 HydrophobicContact CB-CE 4.25Å; R311-M332 HydrophobicContact CB-CG 3.84Å; R311-M332 HydrophobicContact CB-SD 4.38Å; R311-M332 HydrophobicContact CG-CG 3.7Å; R311-M332 HydrophobicContact CG-SD 4.32Å; L314-M332 HydrophobicContact CD2-CE 3.8Å; L314-M332 HydrophobicContact CD2-SD 3.79Å; F327-M332 HydrophobicContact CB-CG 3.77Å; F327-M332 HydrophobicContact CB-SD 3.69Å; F327-M332 HydrophobicContact CD2-SD 3.68Å; F327-M332 HydrophobicContact CG-SD 3.94Å; S328-M332 WeakPolarHBondContact O-CB 3.23Å; S328-M332 VanDerWaalsContact O-CG 3.25Å; S328-M332 WeakPolarHBondContact O-CG 3.49Å; S328-M332 PolarHBondContact O-N 3.03Å; L329-M332 PolarHBondContact O-N 3.31Å; D330-M332 VanDerWaalsContact C-N 3.33Å; M332-F336 HydrophobicContact CE-CD2 3.36Å; M332-F336 HydrophobicContact CE-CE2 3.69Å; M332-F336 HydrophobicContact CE-CG 4.21Å; M332-F336 WeakPolarHBondContact O-CB 3.44Å; M332-F336 PolarHBondContact O-N 3.3Å; M332-F336 HydrophobicContact SD-CD2 3.63Å; M332-F336 HydrophobicContact SD-CE2 3.49Å; M332-F336 WeakPolarHBondContact SD-CE2 3.19Å
333	F	97.8	Very high	96.7	Very high	101 Å²	101	38.4 Å²	38.4	44%	0.443	19%	0.193	S	C	.	.	H	α-helix	trans	-63.9	-45.3	173.7	-173	-83.7	0	0	0	110.8	A304 V307 L329 D330 M337	A304-F333 HydrophobicContact CB-CE2 4.27Å; V307-F333 HydrophobicContact CG2-CD2 4.18Å; L329-F333 PolarHBondContact O-N 3.19Å; D330-F333 PolarHBondContact O-N 2.81Å; F333-M337 HydrophobicContact CD1-CB 4.39Å; F333-M337 HydrophobicContact CD2-CB 4.44Å; F333-M337 HydrophobicContact CD2-CE 3.98Å; F333-M337 HydrophobicContact CD2-CG 4.47Å; F333-M337 HydrophobicContact CE1-CB 4.38Å; F333-M337 HydrophobicContact CE1-CG 4.36Å; F333-M337 HydrophobicContact CE2-CB 4.43Å; F333-M337 HydrophobicContact CE2-CE 4Å; F333-M337 HydrophobicContact CE2-CG 4.02Å; F333-M337 HydrophobicContact CE2-SD 4.45Å; F333-M337 HydrophobicContact CG-CB 4.41Å; F333-M337 HydrophobicContact CZ-CB 4.39Å; F333-M337 HydrophobicContact CZ-CG 3.95Å; F333-M337 WeakPolarHBondContact O-CB 3.32Å; F333-M337 PolarHBondContact O-N 3.35Å; F333-M337 VanDerWaalsContact O-N 3.1Å
334	H	97.4	Very high	96.9	Very high	19 Å²	19	39.1 Å²	39.1	9%	0.088	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-48.7	-177.7	180	76.9	0	0	0	112.7	W160 R163 P165 D330 E331 R339	W160-H334 AromaticContact CD1-CE1 3.7Å; W160-H334 AromaticContact CD1-NE2 3.64Å; W160-H334 PolarHBondContact NE1-O 2.94Å; W160-H334 PolarHBondContact O-CE1 2.86Å; W160-H334 VanDerWaalsContact O-CE1 3.26Å; W160-H334 PolarHBondContact O-NE2 2.97Å; R163-H334 PolarHBondContact O-CE1 3.48Å; P165-H334 HydrophobicContact CG-CB 4.31Å; D330-H334 WeakPolarHBondContact O-CB 3.32Å; D330-H334 PolarHBondContact O-N 2.78Å; E331-H334 PolarHBondContact O-N 2.88Å; H334-R339 PolarHBondContact ND1-NH2 3.29Å; H334-R339 PolarHBondContact O-NH2 2.81Å
335	W	97.3	Very high	97	Very high	8 Å²	8	39 Å²	39	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-82.9	-25.1	-173.3	-65.4	129.6	0	0	0	114.6	W160 P164 I190 F327 E331 F382 Y455	W160-W335 HydrophobicContact CD2-CE3 4.29Å; W160-W335 HydrophobicContact CD2-CZ3 4.17Å; W160-W335 AromaticContact CE2-CE3 3.65Å; W160-W335 AromaticContact CE2-CZ3 4Å; W160-W335 HydrophobicContact CE3-CZ3 4.42Å; W160-W335 HydrophobicContact CH2-CE3 4.19Å; W160-W335 HydrophobicContact CH2-CZ3 4.43Å; W160-W335 AromaticContact CZ2-CE3 3.62Å; W160-W335 HydrophobicContact CZ2-CE3 3.62Å; W160-W335 HydrophobicContact CZ2-CZ3 4.17Å; W160-W335 AromaticContact NE1-CE3 3.84Å; P164-W335 HydrophobicContact CB-CH2 4.13Å; P164-W335 HydrophobicContact CB-CZ2 3.44Å; P164-W335 VanDerWaalsContact CB-CZ2 3.44Å; P164-W335 HydrophobicContact CG-CH2 4.24Å; P164-W335 HydrophobicContact CG-CZ2 3.75Å; I190-W335 HydrophobicContact CD1-CH2 4.04Å; I190-W335 HydrophobicContact CD1-CZ2 4.11Å; F327-W335 AromaticContact CD1-CD1 3.97Å; F327-W335 AromaticContact CE1-CD1 3.68Å; E331-W335 WeakPolarHBondContact O-CB 3.5Å; E331-W335 PolarHBondContact O-N 3.31Å; W335-F382 HydrophobicContact CB-CE1 4.37Å; W335-F382 HydrophobicContact CB-CZ 4.43Å; W335-Y455 HydrophobicContact CE3-CE1 4.17Å; W335-Y455 AromaticContact CE3-CZ 3.97Å; W335-Y455 HydrophobicContact CH2-CE1 4.29Å; W335-Y455 AromaticContact CH2-CZ 3.96Å; W335-Y455 WeakPolarHBondContact CZ2-OH 3.34Å; W335-Y455 AromaticContact CZ3-CE1 3.95Å; W335-Y455 HydrophobicContact CZ3-CE1 3.95Å; W335-Y455 AromaticContact CZ3-CZ 3.92Å; W335-Y455 WeakPolarHBondContact CZ3-OH 3.48Å
336	F	97.8	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-119.6	-12.9	-174.2	-56.9	-72	0	0	0	115.3	M302 L314 F327 M332 P338 S345 F357 F382 Y383	M302-F336 HydrophobicContact CE-CB 4.47Å; M302-F336 HydrophobicContact SD-CB 4.08Å; L314-F336 HydrophobicContact CD2-CE2 3.75Å; L314-F336 HydrophobicContact CD2-CZ 3.72Å; F327-F336 HydrophobicContact CD2-CE2 4.02Å; F327-F336 AromaticContact CE2-CE2 3.78Å; F327-F336 HydrophobicContact CE2-CE2 3.78Å; F327-F336 AromaticContact CE2-CZ 3.85Å; F327-F336 HydrophobicContact CE2-CZ 3.85Å; F327-F336 HydrophobicContact CZ-CE2 4.17Å; F327-F336 HydrophobicContact CZ-CZ 4.16Å; M332-F336 HydrophobicContact CE-CD2 3.36Å; M332-F336 HydrophobicContact CE-CE2 3.69Å; M332-F336 HydrophobicContact CE-CG 4.21Å; M332-F336 WeakPolarHBondContact O-CB 3.44Å; M332-F336 PolarHBondContact O-N 3.3Å; M332-F336 HydrophobicContact SD-CD2 3.63Å; M332-F336 HydrophobicContact SD-CE2 3.49Å; M332-F336 WeakPolarHBondContact SD-CE2 3.19Å; F336-P338 WeakPolarHBondContact O-CD 3.48Å; F336-S345 WeakPolarHBondContact O-CB 3.23Å; F336-S345 PolarHBondContact O-OG 3.19Å; F336-F357 HydrophobicContact CB-CZ 4.14Å; F336-F357 HydrophobicContact CD1-CE1 4.07Å; F336-F357 AromaticContact CD1-CZ 3.55Å; F336-F357 HydrophobicContact CD1-CZ 3.55Å; F336-F357 HydrophobicContact CE1-CE1 4.21Å; F336-F357 HydrophobicContact CE1-CZ 4.16Å; F336-F357 AromaticContact CG-CZ 3.98Å; F336-F357 HydrophobicContact CG-CZ 3.98Å; F336-F382 AromaticContact CD1-CD1 3.9Å; F336-F382 HydrophobicContact CD1-CD1 3.9Å; F336-F382 AromaticContact CD1-CE1 3.7Å; F336-F382 HydrophobicContact CD1-CE1 3.7Å; F336-F382 AromaticContact CE1-CD1 3.5Å; F336-F382 HydrophobicContact CE1-CD1 3.5Å; F336-F382 VanDerWaalsContact CE1-CD1 3.5Å; F336-F382 AromaticContact CE1-CE1 3.26Å; F336-F382 HydrophobicContact CE1-CE1 3.26Å; F336-F382 HydrophobicContact CE1-CZ 4.22Å; F336-F382 HydrophobicContact CZ-CD1 4.47Å; F336-F382 AromaticContact CZ-CE1 3.92Å; F336-F382 HydrophobicContact CZ-CE1 3.92Å; F336-Y383 AromaticContact CE1-CD2 3.52Å; F336-Y383 HydrophobicContact CE1-CD2 3.52Å; F336-Y383 HydrophobicContact CE1-CE2 4.31Å; F336-Y383 AromaticContact CE1-CG 3.95Å; F336-Y383 HydrophobicContact CE1-CG 3.95Å; F336-Y383 AromaticContact CZ-CD2 3.59Å; F336-Y383 HydrophobicContact CZ-CD2 3.59Å; F336-Y383 HydrophobicContact CZ-CE2 4.05Å; F336-Y383 AromaticContact CZ-CG 3.94Å; F336-Y383 HydrophobicContact CZ-CG 3.94Å
337	M	98.1	Very high	97.4	Very high	27 Å²	27	37.7 Å²	37.7	13%	0.133	19%	0.185	C	C	.	.	S	Bend	trans	-66	122.1	174	-167.7	54.8	42.8	0	0	110	M302 A304 V307 F333 R339	M302-M337 HydrophobicContact CE-CE 4.28Å; A304-M337 HydrophobicContact CB-CE 4.4Å; V307-M337 HydrophobicContact CG2-CE 3.4Å; V307-M337 VanDerWaalsContact CG2-CE 3.4Å; F333-M337 HydrophobicContact CD1-CB 4.39Å; F333-M337 HydrophobicContact CD2-CB 4.44Å; F333-M337 HydrophobicContact CD2-CE 3.98Å; F333-M337 HydrophobicContact CD2-CG 4.47Å; F333-M337 HydrophobicContact CE1-CB 4.38Å; F333-M337 HydrophobicContact CE1-CG 4.36Å; F333-M337 HydrophobicContact CE2-CB 4.43Å; F333-M337 HydrophobicContact CE2-CE 4Å; F333-M337 HydrophobicContact CE2-CG 4.02Å; F333-M337 HydrophobicContact CE2-SD 4.45Å; F333-M337 HydrophobicContact CG-CB 4.41Å; F333-M337 HydrophobicContact CZ-CB 4.39Å; F333-M337 HydrophobicContact CZ-CG 3.95Å; F333-M337 WeakPolarHBondContact O-CB 3.32Å; F333-M337 PolarHBondContact O-N 3.35Å; F333-M337 VanDerWaalsContact O-N 3.1Å; M337-R339 WeakPolarHBondContact O-CG 3.41Å; M337-R339 PolarHBondContact O-N 3.46Å
338	P	98.2	Very high	97.5	Very high	19 Å²	19	37.6 Å²	37.6	12%	0.123	19%	0.185	C	C	.	.			trans	-62.9	127.2	-170.6	-28.2	38.2	0	0	0	113.7	R301 M302 F336 I343 S345	R301-P338 HydrophobicContact CG-CB 4.16Å; R301-P338 HydrophobicContact CG-CG 3.91Å; R301-P338 VanDerWaalsContact CZ-CB 3.45Å; M302-P338 HydrophobicContact CB-CG 4.07Å; F336-P338 WeakPolarHBondContact O-CD 3.48Å; P338-I343 CarbonylContact C-O 3.56Å; P338-I343 VanDerWaalsContact CA-O 3.28Å; P338-I343 WeakPolarHBondContact CA-O 3.36Å; P338-S345 WeakPolarHBondContact CG-O 2.99Å
339	R	97.5	Very high	97.6	Very high	81 Å²	81	38 Å²	38	31%	0.306	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-124.4	124.2	175.5	-50.9	-177.3	-159.1	-162.6	8.7	108.2	W160 H334 M337 D341 I342 I343	W160-R339 VanDerWaalsContact CD1-CZ 3.48Å; H334-R339 PolarHBondContact ND1-NH2 3.29Å; H334-R339 PolarHBondContact O-NH2 2.81Å; M337-R339 WeakPolarHBondContact O-CG 3.41Å; M337-R339 PolarHBondContact O-N 3.46Å; R339-D341 PolarHBondContact O-N 3.42Å; R339-I342 HydrophobicContact CB-CB 4.19Å; R339-I342 HydrophobicContact CB-CD1 4.02Å; R339-I342 HydrophobicContact CB-CG1 4.49Å; R339-I342 PolarHBondContact O-N 3Å; R339-I342 VanDerWaalsContact O-N 3.16Å; R339-I343 HydrophobicContact CB-CG2 4.02Å; R339-I343 HydrophobicContact CG-CG2 4.05Å; R339-I343 PolarHBondContact N-O 2.85Å; R339-I343 PolarHBondContact O-N 2.98Å
340	Q	95.6	Very high	97.5	Very high	156 Å²	156	37.3 Å²	37.3	73%	0.729	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	134.9	-178.7	171.8	177.4	-17.8	0	0	111	I342	Q340-I342 PolarHBondContact O-N 2.88Å; Q340-I342 VanDerWaalsContact O-N 3.12Å
341	D	94.9	Very high	97.3	Very high	64 Å²	64	39.3 Å²	39.3	34%	0.342	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	21.6	177.4	-65.5	-60	0	0	0	115	R339 T362 R377	R339-D341 PolarHBondContact O-N 3.42Å; D341-T362 WeakPolarHBondContact O-CB 3.21Å; D341-R377 IonicContact OD1-CZ 2.76Å; D341-R377 IonicContact OD1-NE 2.83Å; D341-R377 IonicContact OD1-NH2 3.62Å; D341-R377 PolarHBondContact OD1-NH2 2.97Å
342	I	96.9	Very high	97.1	Very high	16 Å²	16	41 Å²	41	8%	0.082	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-58	171.9	-52.4	170.2	0	0	0	110.9	E156 F157 W160 R339 Q340 Y361 T362	E156-I342 HydrophobicContact CB-CD1 3.98Å; E156-I342 HydrophobicContact CB-CG1 4.44Å; F157-I342 HydrophobicContact CD2-CG2 3.99Å; W160-I342 HydrophobicContact CB-CD1 4.47Å; W160-I342 HydrophobicContact CB-CG2 3.89Å; W160-I342 HydrophobicContact CD2-CG2 3.45Å; W160-I342 VanDerWaalsContact CD2-CG2 3.45Å; W160-I342 HydrophobicContact CE3-CG2 3.44Å; W160-I342 VanDerWaalsContact CE3-CG2 3.44Å; W160-I342 HydrophobicContact CG-CG2 3.7Å; W160-I342 HydrophobicContact CZ3-CG2 4.11Å; R339-I342 HydrophobicContact CB-CB 4.19Å; R339-I342 HydrophobicContact CB-CD1 4.02Å; R339-I342 HydrophobicContact CB-CG1 4.49Å; R339-I342 PolarHBondContact O-N 3Å; R339-I342 VanDerWaalsContact O-N 3.16Å; Q340-I342 PolarHBondContact O-N 2.88Å; Q340-I342 VanDerWaalsContact O-N 3.12Å; I342-Y361 CarbonylContact O-C 3.49Å; I342-Y361 VanDerWaalsContact O-CA 3.28Å; I342-Y361 WeakPolarHBondContact O-CA 3.22Å; I342-Y361 WeakPolarHBondContact O-CB 3.17Å; I342-T362 PolarHBondContact N-OG1 3.01Å; I342-T362 PolarHBondContact O-N 2.97Å
343	I	97.6	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	124.9	-173.2	179.7	73.6	0	0	0	110.1	W160 P338 R339 F382	W160-I343 HydrophobicContact CH2-CB 4.19Å; W160-I343 HydrophobicContact CH2-CD1 4.23Å; W160-I343 HydrophobicContact CH2-CG1 4.47Å; W160-I343 HydrophobicContact CZ2-CB 3.85Å; W160-I343 HydrophobicContact CZ2-CD1 4.26Å; W160-I343 HydrophobicContact CZ2-CG1 4.08Å; W160-I343 HydrophobicContact CZ2-CG2 3.99Å; P338-I343 CarbonylContact C-O 3.56Å; P338-I343 VanDerWaalsContact CA-O 3.28Å; P338-I343 WeakPolarHBondContact CA-O 3.36Å; R339-I343 HydrophobicContact CB-CG2 4.02Å; R339-I343 HydrophobicContact CG-CG2 4.05Å; R339-I343 PolarHBondContact N-O 2.85Å; R339-I343 PolarHBondContact O-N 2.98Å; I343-F382 HydrophobicContact CD1-CD1 3.64Å; I343-F382 HydrophobicContact CD1-CE1 4.09Å; I343-F382 HydrophobicContact CD1-CG 4.33Å
344	D	98.3	Very high	97	Very high	14 Å²	14	40.8 Å²	40.8	8%	0.075	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.6	168.9	-79.2	-53.5	0	0	0	109.9	R301 Y346 S359 Y360	R301-D344 IonicContact CZ-OD1 3.7Å; R301-D344 IonicContact NE-OD1 3.9Å; R301-D344 IonicContact NH2-OD1 3.89Å; R301-D344 PolarHBondContact NH2-OD1 2.83Å; D344-Y346 HydrophobicContact CB-CE2 3.86Å; D344-S359 CarbonylContact O-C 3.59Å; D344-S359 VanDerWaalsContact O-CA 3.26Å; D344-S359 WeakPolarHBondContact O-CA 3.34Å; D344-Y360 HydrophobicContact CB-CD2 4.18Å; D344-Y360 HydrophobicContact CB-CE1 4.4Å; D344-Y360 HydrophobicContact CB-CE2 3.63Å; D344-Y360 PolarHBondContact N-O 3.08Å; D344-Y360 PolarHBondContact O-N 2.84Å
345	S	98.6	Very high	97	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	141.7	176.2	-53.5	0	0	0	0	110.6	M302 F336 P338 V358 S359	M302-S345 PolarHBondContact N-O 3.12Å; F336-S345 WeakPolarHBondContact O-CB 3.23Å; F336-S345 PolarHBondContact O-OG 3.19Å; P338-S345 WeakPolarHBondContact CG-O 2.99Å; S345-V358 CarbonylContact C-O 3.44Å; S345-V358 WeakPolarHBondContact CA-O 3.39Å; S345-S359 WeakPolarHBondContact OG-CB 3.43Å
346	Y	98.7	Very high	97.1	Very high	27 Å²	27	40 Å²	40	11%	0.106	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.6	-176.5	-60	-90.6	0	0	0	110.5	M299 R300 R301 D344 F357 V358 Y360 L401	M299-Y346 HydrophobicContact CE-CG 4.22Å; R300-Y346 CarbonylContact O-C 3.58Å; R300-Y346 WeakPolarHBondContact O-CA 3.34Å; R300-Y346 WeakPolarHBondContact O-CB 3.2Å; R301-Y346 HydrophobicContact CB-CD1 4.33Å; R301-Y346 HydrophobicContact CB-CE1 4.29Å; R301-Y346 HydrophobicContact CG-CE1 4.37Å; D344-Y346 HydrophobicContact CB-CE2 3.86Å; Y346-F357 WeakPolarHBondContact O-CA 3.39Å; Y346-F357 WeakPolarHBondContact O-CD2 3.5Å; Y346-V358 PolarHBondContact N-O 3.48Å; Y346-V358 PolarHBondContact O-N 2.73Å; Y346-Y360 HydrophobicContact CD2-CE1 4.28Å; Y346-Y360 AromaticContact CE2-CE1 3.8Å; Y346-Y360 HydrophobicContact CE2-CE1 3.8Å; Y346-Y360 AromaticContact CE2-CZ 3.91Å; Y346-Y360 WeakPolarHBondContact CE2-OH 3.39Å; Y346-Y360 PolarHBondContact OH-OH 3.24Å; Y346-L401 HydrophobicContact CD1-CD1 3.75Å; Y346-L401 HydrophobicContact CD2-CD1 3.92Å; Y346-L401 HydrophobicContact CE1-CD1 3.78Å; Y346-L401 HydrophobicContact CE1-CD2 3.9Å; Y346-L401 HydrophobicContact CE1-CG 4.33Å; Y346-L401 HydrophobicContact CE2-CB 4.26Å; Y346-L401 HydrophobicContact CE2-CD1 3.92Å; Y346-L401 HydrophobicContact CG-CD1 3.84Å
347	V	98.7	Very high	97.1	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.3	175.8	-68.3	0	0	0	0	109.6	M299 R300 M302 D306 V310 V354 D356 F357	M299-V347 CarbonylContact C-O 3.59Å; M299-V347 WeakPolarHBondContact CA-O 3.32Å; R300-V347 HydrophobicContact CG-CG2 3.86Å; R300-V347 PolarHBondContact N-O 2.76Å; R300-V347 PolarHBondContact O-N 3.28Å; M302-V347 HydrophobicContact CB-CG1 4.25Å; M302-V347 HydrophobicContact CG-CG1 4.2Å; D306-V347 HydrophobicContact CB-CG1 4.37Å; V310-V347 HydrophobicContact CG2-CG1 3.62Å; V347-V354 HydrophobicContact CB-CG1 3.77Å; V347-V354 HydrophobicContact CB-CG2 4.03Å; V347-V354 HydrophobicContact CG1-CG1 3.77Å; V347-V354 HydrophobicContact CG1-CG2 4.38Å; V347-V354 HydrophobicContact CG2-CG2 4.09Å; V347-D356 CarbonylContact C-O 3.51Å; V347-D356 WeakPolarHBondContact CA-O 3.48Å; V347-F357 HydrophobicContact CG1-CD2 4.1Å
348	V	98.6	Very high	97.1	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.03	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.6	165.8	-179.3	0	0	0	0	107.7	T296 M299 V354 T355 D356 L394	T296-V348 HydrophobicContact CG2-CB 4.44Å; T296-V348 HydrophobicContact CG2-CG1 3.75Å; T296-V348 HydrophobicContact CG2-CG2 3.76Å; M299-V348 HydrophobicContact CB-CG2 4.3Å; M299-V348 HydrophobicContact CG-CG2 4.32Å; V348-V354 CarbonylContact O-C 3.48Å; V348-V354 WeakPolarHBondContact O-CA 3.49Å; V348-T355 PolarHBondContact O-N 2.88Å; V348-T355 PolarHBondContact O-OG1 2.83Å; V348-D356 HydrophobicContact CB-CB 3.88Å; V348-D356 HydrophobicContact CG2-CB 3.86Å; V348-D356 PolarHBondContact N-O 3.46Å; V348-L394 HydrophobicContact CG2-CD1 3.98Å
349	E	97.5	Very high	97.1	Very high	50 Å²	50	37.8 Å²	37.8	23%	0.234	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116.1	178.1	-173.1	176.8	164.7	0	0	110.5	G298 R300 R305 G352 V353 V354	G298-E349 WeakPolarHBondContact CA-O 3.29Å; G298-E349 PolarHBondContact O-N 2.68Å; R300-E349 IonicContact CZ-OE2 3.19Å; R300-E349 IonicContact NE-OE2 2.68Å; R300-E349 PolarHBondContact NE-OE2 2.85Å; R300-E349 IonicContact NH2-OE2 2.77Å; R300-E349 PolarHBondContact NH2-OE2 2.88Å; R305-E349 IonicContact NH1-OE1 2.79Å; R305-E349 IonicContact NH1-OE2 3.36Å; E349-G352 WeakPolarHBondContact OE1-CA 3.35Å; E349-V353 WeakPolarHBondContact CA-O 3.24Å; E349-V354 HydrophobicContact CB-CG2 4.48Å
350	D	95.4	Very high	97.1	Very high	60 Å²	60	34 Å²	34	32%	0.321	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.5	176.8	174.6	26.5	0	0	0	109.4	G352 V353 T355 K388	D350-G352 PolarHBondContact O-N 2.76Å; D350-V353 PolarHBondContact N-O 3.49Å; D350-V353 PolarHBondContact O-N 2.95Å; D350-T355 HydrophobicContact CB-CG2 4.37Å; D350-K388 IonicContact OD2-NZ 3.76Å; D350-K388 PolarHBondContact OD2-NZ 3.12Å
351	N	93	Very high	97.2	Very high	155 Å²	155	26.8 Å²	26.8	83%	0.829	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	39.4	-179.2	-74.4	-84.1	0	0	0	114.3	V353	N351-V353 VanDerWaalsContact C-N 3.35Å
352	G	93	Very high	97.2	Very high	59 Å²	59	24.1 Å²	24.1	61%	0.608	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.7	4.1	179.9	0	0	0	0	0	115	E349 D350	E349-G352 WeakPolarHBondContact OE1-CA 3.35Å; D350-G352 PolarHBondContact O-N 2.76Å
353	V	95.8	Very high	97.1	Very high	86 Å²	86	23.3 Å²	23.3	52%	0.521	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.5	-179.2	-177	0	0	0	0	109.7	E349 D350 N351 T355	E349-V353 WeakPolarHBondContact CA-O 3.24Å; D350-V353 PolarHBondContact N-O 3.49Å; D350-V353 PolarHBondContact O-N 2.95Å; N351-V353 VanDerWaalsContact C-N 3.35Å; V353-T355 HydrophobicContact CG1-CG2 4.49Å; V353-T355 PolarHBondContact O-N 2.75Å
354	V	98	Very high	96.8	Very high	10 Å²	10	24.6 Å²	24.6	6%	0.061	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	126.4	170.2	169.6	0	0	0	0	109.5	V309 V310 L313 V347 V348 E349	V309-V354 HydrophobicContact CG1-CB 3.99Å; V309-V354 HydrophobicContact CG1-CG1 4.45Å; V310-V354 HydrophobicContact CG2-CG1 4.26Å; L313-V354 HydrophobicContact CD1-CG1 3.93Å; V347-V354 HydrophobicContact CB-CG1 3.77Å; V347-V354 HydrophobicContact CB-CG2 4.03Å; V347-V354 HydrophobicContact CG1-CG1 3.77Å; V347-V354 HydrophobicContact CG1-CG2 4.38Å; V347-V354 HydrophobicContact CG2-CG2 4.09Å; V348-V354 CarbonylContact O-C 3.48Å; V348-V354 WeakPolarHBondContact O-CA 3.49Å; E349-V354 HydrophobicContact CB-CG2 4.48Å
355	T	97.9	Very high	96.4	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.055	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-34.7	-174.9	54.2	0	0	0	0	113.4	V348 D350 V353 T387 K388	V348-T355 PolarHBondContact O-N 2.88Å; V348-T355 PolarHBondContact O-OG1 2.83Å; D350-T355 HydrophobicContact CB-CG2 4.37Å; V353-T355 HydrophobicContact CG1-CG2 4.49Å; V353-T355 PolarHBondContact O-N 2.75Å; T355-T387 WeakPolarHBondContact O-CG2 3.41Å; T355-T387 PolarHBondContact O-OG1 3.24Å; T355-K388 HydrophobicContact CG2-CD 3.69Å; T355-K388 HydrophobicContact CG2-CG 4.21Å
356	D	98.3	Very high	95.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.1	-176.4	-44	-86.5	0	0	0	110	V347 V348 V385 S386 T387 K388 T389 L394	V347-D356 CarbonylContact C-O 3.51Å; V347-D356 WeakPolarHBondContact CA-O 3.48Å; V348-D356 HydrophobicContact CB-CB 3.88Å; V348-D356 HydrophobicContact CG2-CB 3.86Å; V348-D356 PolarHBondContact N-O 3.46Å; D356-V385 CarbonylContact C-O 3.51Å; D356-V385 WeakPolarHBondContact CA-O 3.38Å; D356-S386 WeakPolarHBondContact OD1-CA 3.27Å; D356-T387 PolarHBondContact OD1-N 3.45Å; D356-K388 PolarHBondContact OD1-N 2.78Å; D356-T389 VanDerWaalsContact CG-CB 3.48Å; D356-T389 VanDerWaalsContact CG-OG1 3.31Å; D356-T389 PolarHBondContact OD1-N 3.06Å; D356-T389 WeakPolarHBondContact OD2-CB 3.38Å; D356-T389 PolarHBondContact OD2-N 2.74Å; D356-T389 PolarHBondContact OD2-OG1 3.26Å; D356-L394 HydrophobicContact CB-CD1 4.23Å; D356-L394 HydrophobicContact CB-CD2 4.14Å
357	F	98.2	Very high	95.5	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	140.4	-173	169.4	-102.9	0	0	0	110.9	M302 V310 F336 Y346 V347 S384 V385	M302-F357 HydrophobicContact SD-CD2 4.44Å; M302-F357 HydrophobicContact SD-CE2 3.73Å; V310-F357 HydrophobicContact CB-CD2 4.43Å; V310-F357 HydrophobicContact CG1-CB 4.42Å; V310-F357 HydrophobicContact CG1-CD1 4.08Å; V310-F357 HydrophobicContact CG1-CD2 3.48Å; V310-F357 VanDerWaalsContact CG1-CD2 3.48Å; V310-F357 HydrophobicContact CG1-CE1 4.2Å; V310-F357 HydrophobicContact CG1-CE2 3.6Å; V310-F357 HydrophobicContact CG1-CG 3.72Å; V310-F357 HydrophobicContact CG1-CZ 3.97Å; V310-F357 HydrophobicContact CG2-CD2 4.01Å; F336-F357 HydrophobicContact CB-CZ 4.14Å; F336-F357 HydrophobicContact CD1-CE1 4.07Å; F336-F357 AromaticContact CD1-CZ 3.55Å; F336-F357 HydrophobicContact CD1-CZ 3.55Å; F336-F357 HydrophobicContact CE1-CE1 4.21Å; F336-F357 HydrophobicContact CE1-CZ 4.16Å; F336-F357 AromaticContact CG-CZ 3.98Å; F336-F357 HydrophobicContact CG-CZ 3.98Å; Y346-F357 WeakPolarHBondContact O-CA 3.39Å; Y346-F357 WeakPolarHBondContact O-CD2 3.5Å; V347-F357 HydrophobicContact CG1-CD2 4.1Å; F357-S384 CarbonylContact O-C 3.54Å; F357-S384 VanDerWaalsContact O-CA 3.26Å; F357-S384 WeakPolarHBondContact O-CA 3.11Å; F357-V385 HydrophobicContact CB-CB 4.34Å; F357-V385 HydrophobicContact CD1-CG2 4.44Å; F357-V385 PolarHBondContact N-O 3.25Å; F357-V385 PolarHBondContact O-N 3.27Å
358	V	98.2	Very high	94.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	139.5	172.3	60.1	0	0	0	0	111	M299 S345 Y346 L381 L394 I395 A398	M299-V358 HydrophobicContact CE-CG1 3.59Å; S345-V358 CarbonylContact C-O 3.44Å; S345-V358 WeakPolarHBondContact CA-O 3.39Å; Y346-V358 PolarHBondContact N-O 3.48Å; Y346-V358 PolarHBondContact O-N 2.73Å; V358-L381 HydrophobicContact CG2-CD1 4.11Å; V358-L394 HydrophobicContact CB-CD1 4.31Å; V358-L394 HydrophobicContact CB-CD2 4.42Å; V358-L394 HydrophobicContact CB-CG 4.15Å; V358-L394 HydrophobicContact CG1-CD1 3.96Å; V358-L394 HydrophobicContact CG1-CG 4.25Å; V358-I395 HydrophobicContact CG2-CD1 3.78Å; V358-A398 HydrophobicContact CG1-CB 4.14Å; V358-A398 HydrophobicContact CG2-CB 3.8Å
359	S	98.2	Very high	94.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	147	179.8	56.2	0	0	0	0	112	D344 S345 F382 Y383	D344-S359 CarbonylContact O-C 3.59Å; D344-S359 VanDerWaalsContact O-CA 3.26Å; D344-S359 WeakPolarHBondContact O-CA 3.34Å; S345-S359 WeakPolarHBondContact OG-CB 3.43Å; S359-F382 WeakPolarHBondContact O-CB 3.32Å; S359-F382 PolarHBondContact O-N 2.84Å; S359-Y383 PolarHBondContact N-O 3.49Å; S359-Y383 PolarHBondContact OG-N 2.92Å; S359-Y383 VanDerWaalsContact OG-N 3.11Å; S359-Y383 PolarHBondContact OG-O 2.85Å
360	Y	97.8	Very high	93.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	141.7	173.9	57.7	-100.3	0	0	0	111.1	D344 Y346 A379 Y380 A398 A402 Y407 F410	D344-Y360 HydrophobicContact CB-CD2 4.18Å; D344-Y360 HydrophobicContact CB-CE1 4.4Å; D344-Y360 HydrophobicContact CB-CE2 3.63Å; D344-Y360 PolarHBondContact N-O 3.08Å; D344-Y360 PolarHBondContact O-N 2.84Å; Y346-Y360 HydrophobicContact CD2-CE1 4.28Å; Y346-Y360 AromaticContact CE2-CE1 3.8Å; Y346-Y360 HydrophobicContact CE2-CE1 3.8Å; Y346-Y360 AromaticContact CE2-CZ 3.91Å; Y346-Y360 WeakPolarHBondContact CE2-OH 3.39Å; Y346-Y360 PolarHBondContact OH-OH 3.24Å; Y360-A379 HydrophobicContact CD2-CB 3.78Å; Y360-A379 HydrophobicContact CE2-CB 4.35Å; Y360-A379 HydrophobicContact CG-CB 4.35Å; Y360-Y380 CarbonylContact C-O 3.58Å; Y360-Y380 WeakPolarHBondContact CA-O 3.25Å; Y360-Y380 VanDerWaalsContact CB-O 3.24Å; Y360-Y380 WeakPolarHBondContact CB-O 3.49Å; Y360-A398 HydrophobicContact CD1-CB 4.41Å; Y360-A398 HydrophobicContact CE1-CB 4.38Å; Y360-A402 HydrophobicContact CE1-CB 4.46Å; Y360-A402 HydrophobicContact CE2-CB 4.19Å; Y360-A402 PolarHBondContact OH-N 2.74Å; Y360-Y407 AromaticContact CE2-CE2 3.9Å; Y360-Y407 HydrophobicContact CE2-CE2 3.9Å; Y360-F410 AromaticContact CD1-CE2 3.6Å; Y360-F410 HydrophobicContact CD1-CE2 3.6Å; Y360-F410 AromaticContact CD1-CZ 3.97Å; Y360-F410 HydrophobicContact CD1-CZ 3.97Å; Y360-F410 HydrophobicContact CD2-CE2 4.29Å; Y360-F410 HydrophobicContact CE1-CE2 4.18Å; Y360-F410 AromaticContact CG-CE2 3.67Å; Y360-F410 HydrophobicContact CG-CE2 3.67Å; Y360-F410 HydrophobicContact CG-CZ 4.12Å
361	Y	97	Very high	93.6	Very high	6 Å²	6	37.1 Å²	37.1	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	153.4	-179.5	64.8	-100.8	0	0	0	113	F157 I342 L363 A379 Y380 F382	F157-Y361 AromaticContact CE2-CD2 3.67Å; F157-Y361 HydrophobicContact CE2-CD2 3.67Å; F157-Y361 HydrophobicContact CE2-CE2 4.4Å; F157-Y361 HydrophobicContact CE2-CG 4.19Å; F157-Y361 AromaticContact CZ-CD2 3.93Å; F157-Y361 HydrophobicContact CZ-CD2 3.93Å; F157-Y361 HydrophobicContact CZ-CE2 4.25Å; I342-Y361 CarbonylContact O-C 3.49Å; I342-Y361 VanDerWaalsContact O-CA 3.28Å; I342-Y361 WeakPolarHBondContact O-CA 3.22Å; I342-Y361 WeakPolarHBondContact O-CB 3.17Å; Y361-L363 HydrophobicContact CD2-CB 4.14Å; Y361-L363 HydrophobicContact CE2-CB 4.01Å; Y361-L363 HydrophobicContact CE2-CD2 4.32Å; Y361-A379 CarbonylContact O-C 3.59Å; Y361-A379 WeakPolarHBondContact O-CA 3.36Å; Y361-Y380 HydrophobicContact CD2-CD2 4.48Å; Y361-Y380 HydrophobicContact CD2-CG 4.37Å; Y361-Y380 VanDerWaalsContact CE2-CB 3.47Å; Y361-Y380 HydrophobicContact CE2-CD1 4.3Å; Y361-Y380 HydrophobicContact CE2-CD2 4.02Å; Y361-Y380 AromaticContact CE2-CG 3.7Å; Y361-Y380 HydrophobicContact CE2-CG 3.7Å; Y361-Y380 AromaticContact CZ-CG 3.84Å; Y361-Y380 PolarHBondContact N-O 2.72Å; Y361-Y380 PolarHBondContact O-N 3.19Å; Y361-F382 HydrophobicContact CD1-CB 4.03Å; Y361-F382 AromaticContact CD1-CD2 3.74Å; Y361-F382 HydrophobicContact CD1-CD2 3.74Å; Y361-F382 HydrophobicContact CD1-CE2 4.46Å; Y361-F382 HydrophobicContact CD1-CG 4.04Å; Y361-F382 AromaticContact CE1-CD2 3.97Å; Y361-F382 HydrophobicContact CE1-CD2 3.97Å
362	T	96.7	Very high	93.6	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.043	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120.8	174.6	-43.9	0	0	0	0	109.5	F157 D341 I342 Y407	F157-T362 WeakPolarHBondContact CD2-O 3.47Å; F157-T362 VanDerWaalsContact CE2-O 3.28Å; F157-T362 WeakPolarHBondContact CE2-O 3.13Å; D341-T362 WeakPolarHBondContact O-CB 3.21Å; I342-T362 PolarHBondContact N-OG1 3.01Å; I342-T362 PolarHBondContact O-N 2.97Å; T362-Y407 HydrophobicContact CG2-CE1 3.93Å; T362-Y407 PolarHBondContact OG1-OH 3.41Å
363	L	93	Very high	93.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	99.6	166.5	175.5	54.9	0	0	0	108.4	F151 Y153 Y361 A378 Y380	F151-L363 HydrophobicContact CB-CD1 4.24Å; F151-L363 HydrophobicContact CD1-CD2 4.17Å; F151-L363 HydrophobicContact CD1-CG 4.42Å; F151-L363 HydrophobicContact CD2-CD2 4.4Å; F151-L363 HydrophobicContact CE1-CD2 4.47Å; F151-L363 HydrophobicContact CG-CD2 4.15Å; Y153-L363 HydrophobicContact CD1-CD1 3.42Å; Y153-L363 VanDerWaalsContact CD1-CD1 3.42Å; Y153-L363 HydrophobicContact CD1-CD2 4.38Å; Y153-L363 HydrophobicContact CD2-CD1 4.08Å; Y153-L363 HydrophobicContact CE1-CD1 3.57Å; Y153-L363 HydrophobicContact CE1-CD2 3.67Å; Y153-L363 HydrophobicContact CE1-CG 4.25Å; Y153-L363 HydrophobicContact CE2-CD1 4.16Å; Y153-L363 HydrophobicContact CG-CD1 3.7Å; Y361-L363 HydrophobicContact CD2-CB 4.14Å; Y361-L363 HydrophobicContact CE2-CB 4.01Å; Y361-L363 HydrophobicContact CE2-CD2 4.32Å; L363-A378 PolarHBondContact N-O 3.04Å; L363-A378 WeakPolarHBondContact O-CB 3.32Å; L363-Y380 HydrophobicContact CB-CD2 3.84Å; L363-Y380 HydrophobicContact CB-CE2 3.71Å; L363-Y380 HydrophobicContact CD2-CE2 4.06Å; L363-Y380 HydrophobicContact CG-CE2 4.09Å
364	P	91.5	Very high	93.4	Very high	27 Å²	27	36.8 Å²	36.8	18%	0.175	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	157	176.4	31.6	-30.4	0	0	0	110.6	D152 I376	D152-P364 HydrophobicContact CB-CG 4.3Å; D152-P364 PolarHBondContact N-O 2.85Å; D152-P364 VanDerWaalsContact O-CG 3.31Å; D152-P364 WeakPolarHBondContact O-CG 3.28Å; P364-I376 CarbonylContact C-O 3.5Å; P364-I376 WeakPolarHBondContact CA-O 3.41Å; P364-I376 WeakPolarHBondContact CB-O 3.17Å
365	S	89.5	Confident	93.2	Very high	10 Å²	10	38.6 Å²	38.6	7%	0.07	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.3	169.5	-59.2	0	0	0	0	109.7	R150 V367 S375 I376	R150-S365 CarbonylContact O-C 3.43Å; R150-S365 WeakPolarHBondContact O-CA 3.38Å; S365-V367 PolarHBondContact O-N 3.23Å; S365-S375 CarbonylContact O-C 3.54Å; S365-S375 WeakPolarHBondContact O-CA 3.34Å; S365-S375 WeakPolarHBondContact O-CB 3.44Å; S365-I376 PolarHBondContact N-O 3.37Å; S365-I376 PolarHBondContact O-N 3.28Å
366	T	89	Confident	93	Very high	37 Å²	37	38.3 Å²	38.3	23%	0.227	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	132.9	166.8	-79	0	0	0	0	109.2	F149 R150 M368 K374	F149-T366 WeakPolarHBondContact CA-O 3.45Å; R150-T366 PolarHBondContact N-O 3.47Å; R150-T366 PolarHBondContact O-N 2.71Å; T366-M368 HydrophobicContact CG2-SD 3.95Å; T366-K374 WeakPolarHBondContact CA-O 3.37Å
367	V	89.9	Confident	92.9	Very high	9 Å²	9	41.6 Å²	41.6	6%	0.055	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	112	173	-177.3	0	0	0	0	108.7	F149 V270 S365 H370 K374 I376	F149-V367 HydrophobicContact CD1-CG2 4.18Å; F149-V367 HydrophobicContact CE1-CG1 4.19Å; F149-V367 HydrophobicContact CE1-CG2 4.1Å; V270-V367 HydrophobicContact CB-CG1 4.04Å; V270-V367 HydrophobicContact CB-CG2 4.47Å; V270-V367 HydrophobicContact CG1-CG1 4.13Å; V270-V367 HydrophobicContact CG1-CG2 4.33Å; S365-V367 PolarHBondContact O-N 3.23Å; V367-H370 HydrophobicContact CB-CB 4.49Å; V367-H370 HydrophobicContact CG1-CB 3.45Å; V367-H370 VanDerWaalsContact CG1-CB 3.45Å; V367-K374 PolarHBondContact N-O 2.93Å; V367-I376 HydrophobicContact CG2-CD1 4.29Å; V367-I376 HydrophobicContact CG2-CG1 3.73Å
368	M	85	Confident	92.8	Very high	51 Å²	51	41.7 Å²	41.7	25%	0.251	22%	0.217	S	C	.	.			trans	-73.5	142.6	178.9	-62.5	-61.8	-61.2	0	0	110.9	N147 M148 R150 T366 H370	N147-M368 WeakPolarHBondContact O-CB 3.29Å; M148-M368 WeakPolarHBondContact O-CB 3.46Å; M148-M368 PolarHBondContact O-N 2.83Å; R150-M368 PolarHBondContact NH2-SD 3.39Å; T366-M368 HydrophobicContact CG2-SD 3.95Å; M368-H370 PolarHBondContact O-N 3.24Å
369	H	84.8	Confident	92.8	Very high	177 Å²	177	41.7 Å²	41.7	82%	0.819	22%	0.217	S	C	*	.	S	Bend	trans	58.4	-1.1	170.6	-52.5	-67.4	0	0	0	118.2
370	H	89.8	Confident	92.7	Very high	29 Å²	29	42.4 Å²	42.4	13%	0.134	22%	0.22	C	C	.	.			trans	-78.3	136.3	-179.6	-172.8	-85.4	0	0	0	112.4	V367 M368 V372 Y373 K374	V367-H370 HydrophobicContact CB-CB 4.49Å; V367-H370 HydrophobicContact CG1-CB 3.45Å; V367-H370 VanDerWaalsContact CG1-CB 3.45Å; M368-H370 PolarHBondContact O-N 3.24Å; H370-V372 PolarHBondContact ND1-N 3.04Å; H370-Y373 AromaticContact CE1-CD2 3.28Å; H370-Y373 WeakPolarHBondContact CE1-CD2 3.39Å; H370-Y373 AromaticContact CE1-CE2 3.83Å; H370-Y373 AromaticContact ND1-CD2 3.76Å; H370-Y373 PolarHBondContact ND1-N 2.83Å; H370-Y373 VanDerWaalsContact ND1-N 3.14Å; H370-Y373 PolarHBondContact ND1-O 3.41Å; H370-Y373 AromaticContact NE2-CD2 3.96Å; H370-K374 PolarHBondContact O-NZ 3.34Å
371	P	91.3	Very high	92.7	Very high	106 Å²	106	42.8 Å²	42.8	69%	0.688	22%	0.222	S	C	*	.	S	Bend	trans	-67.9	-47	-173.6	23.9	-33.5	0	0	0	113.4	K374	P371-K374 WeakPolarHBondContact O-CE 3.47Å; P371-K374 PolarHBondContact O-NZ 3Å
372	V	92.6	Very high	92.6	Very high	106 Å²	106	42.5 Å²	42.5	64%	0.642	22%	0.221	S	C	*	.	S	Bend	trans	-90	-79.6	-174	-176.1	0	0	0	0	111.8	H370 K374	H370-V372 PolarHBondContact ND1-N 3.04Å; V372-K374 WeakPolarHBondContact O-CE 2.88Å
373	Y	92.5	Very high	92.6	Very high	61 Å²	61	42.3 Å²	42.3	24%	0.239	22%	0.219	C	C	.	.			trans	-65	145.3	179.9	-42	-73.5	0	0	0	111.9	K266 D269 V270 H370	K266-Y373 HydrophobicContact CD-CD1 4.03Å; K266-Y373 HydrophobicContact CD-CE1 4.23Å; K266-Y373 HydrophobicContact CD-CG 4.32Å; K266-Y373 HydrophobicContact CG-CD1 3.97Å; K266-Y373 HydrophobicContact CG-CD2 3.97Å; K266-Y373 HydrophobicContact CG-CE1 3.93Å; K266-Y373 HydrophobicContact CG-CE2 3.97Å; K266-Y373 HydrophobicContact CG-CG 3.98Å; D269-Y373 HydrophobicContact CB-CE2 3.8Å; D269-Y373 VanDerWaalsContact OD2-CE2 3.29Å; D269-Y373 WeakPolarHBondContact OD2-CE2 3.38Å; D269-Y373 PolarHBondContact OD2-OH 3.32Å; D269-Y373 VanDerWaalsContact OD2-OH 3.07Å; V270-Y373 HydrophobicContact CG1-CD2 3.45Å; V270-Y373 VanDerWaalsContact CG1-CD2 3.45Å; V270-Y373 HydrophobicContact CG1-CE2 4.29Å; V270-Y373 HydrophobicContact CG1-CG 4.11Å; H370-Y373 AromaticContact CE1-CD2 3.28Å; H370-Y373 WeakPolarHBondContact CE1-CD2 3.39Å; H370-Y373 AromaticContact CE1-CE2 3.83Å; H370-Y373 AromaticContact ND1-CD2 3.76Å; H370-Y373 PolarHBondContact ND1-N 2.83Å; H370-Y373 VanDerWaalsContact ND1-N 3.14Å; H370-Y373 PolarHBondContact ND1-O 3.41Å; H370-Y373 AromaticContact NE2-CD2 3.96Å
374	K	92.9	Very high	92.7	Very high	126 Å²	126	42.5 Å²	42.5	55%	0.548	22%	0.22	S	C	.	.			trans	-115.9	-14.2	176.8	-53	-59.4	164.9	-167.7	0	113.9	T366 V367 H370 P371 V372	T366-K374 WeakPolarHBondContact CA-O 3.37Å; V367-K374 PolarHBondContact N-O 2.93Å; H370-K374 PolarHBondContact O-NZ 3.34Å; P371-K374 WeakPolarHBondContact O-CE 3.47Å; P371-K374 PolarHBondContact O-NZ 3Å; V372-K374 WeakPolarHBondContact O-CE 2.88Å
375	S	93.2	Very high	93	Very high	49 Å²	49	41.3 Å²	41.3	34%	0.343	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	154.4	175.3	59.2	0	0	0	0	112.3	K266 S365	K266-S375 WeakPolarHBondContact CE-O 3.49Å; K266-S375 PolarHBondContact NZ-O 3.47Å; S365-S375 CarbonylContact O-C 3.54Å; S365-S375 WeakPolarHBondContact O-CA 3.34Å; S365-S375 WeakPolarHBondContact O-CB 3.44Å
376	I	94.5	Very high	93.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.3	161.3	-62.4	171.9	0	0	0	106.5	F149 L267 V270 F272 P364 S365 V367 D408 V409	F149-I376 HydrophobicContact CD1-CD1 3.81Å; F149-I376 HydrophobicContact CE1-CD1 3.52Å; F149-I376 HydrophobicContact CZ-CD1 4.09Å; L267-I376 HydrophobicContact CD2-CD1 4.26Å; L267-I376 HydrophobicContact CD2-CG2 3.95Å; V270-I376 HydrophobicContact CG2-CD1 3.74Å; V270-I376 HydrophobicContact CG2-CG1 4.08Å; F272-I376 HydrophobicContact CB-CD1 3.7Å; F272-I376 HydrophobicContact CD2-CD1 3.64Å; F272-I376 HydrophobicContact CG-CD1 3.79Å; P364-I376 CarbonylContact C-O 3.5Å; P364-I376 WeakPolarHBondContact CA-O 3.41Å; P364-I376 WeakPolarHBondContact CB-O 3.17Å; S365-I376 PolarHBondContact N-O 3.37Å; S365-I376 PolarHBondContact O-N 3.28Å; V367-I376 HydrophobicContact CG2-CD1 4.29Å; V367-I376 HydrophobicContact CG2-CG1 3.73Å; I376-D408 HydrophobicContact CG2-CB 3.92Å; I376-V409 HydrophobicContact CG2-CG1 3.96Å
377	R	96.4	Very high	93.6	Very high	70 Å²	70	44.9 Å²	44.9	26%	0.264	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	101.7	173.8	-169.5	165.8	172	-132.2	6.4	108.7	D341 A405 G406 Y407 D408	D341-R377 IonicContact OD1-CZ 2.76Å; D341-R377 IonicContact OD1-NE 2.83Å; D341-R377 IonicContact OD1-NH2 3.62Å; D341-R377 PolarHBondContact OD1-NH2 2.97Å; R377-A405 PolarHBondContact NH1-O 2.86Å; R377-G406 PolarHBondContact NH1-O 2.8Å; R377-Y407 HydrophobicContact CG-CD1 3.83Å; R377-Y407 HydrophobicContact CG-CE1 4.22Å; R377-Y407 HydrophobicContact CG-CG 4.38Å; R377-Y407 CarbonylContact O-C 3.46Å; R377-Y407 WeakPolarHBondContact O-CA 3.35Å; R377-D408 PolarHBondContact N-OD2 2.81Å; R377-D408 PolarHBondContact O-N 2.87Å
378	A	95.9	Very high	93.9	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	137.5	-178.5	0	0	0	0	0	111.7	L363 Y380 Y407 V409	L363-A378 PolarHBondContact N-O 3.04Å; L363-A378 WeakPolarHBondContact O-CB 3.32Å; A378-Y380 HydrophobicContact CB-CD2 4.33Å; A378-Y380 HydrophobicContact CB-CE2 3.82Å; A378-Y407 VanDerWaalsContact C-CD1 3.42Å; A378-Y407 WeakPolarHBondContact O-CE1 3.45Å; A378-V409 WeakPolarHBondContact CA-O 3.27Å; A378-V409 HydrophobicContact CB-CG1 3.43Å; A378-V409 VanDerWaalsContact CB-CG1 3.43Å
379	A	97.5	Very high	94.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	141.7	166.9	0	0	0	0	0	108.1	Y360 Y361 A402 Y407 V409 F410 N411	Y360-A379 HydrophobicContact CD2-CB 3.78Å; Y360-A379 HydrophobicContact CE2-CB 4.35Å; Y360-A379 HydrophobicContact CG-CB 4.35Å; Y361-A379 CarbonylContact O-C 3.59Å; Y361-A379 WeakPolarHBondContact O-CA 3.36Å; A379-A402 HydrophobicContact CB-CB 4.3Å; A379-Y407 HydrophobicContact CB-CD1 3.56Å; A379-Y407 HydrophobicContact CB-CE1 3.62Å; A379-Y407 HydrophobicContact CB-CG 4.01Å; A379-Y407 VanDerWaalsContact N-CD1 3.28Å; A379-V409 PolarHBondContact N-O 3.07Å; A379-F410 HydrophobicContact CB-CD2 3.51Å; A379-F410 HydrophobicContact CB-CE2 3.94Å; A379-F410 HydrophobicContact CB-CG 4.26Å; A379-F410 CarbonylContact O-C 3.56Å; A379-F410 WeakPolarHBondContact O-CA 2.94Å; A379-N411 PolarHBondContact O-N 2.95Å
380	Y	96.1	Very high	95	Very high	16 Å²	16	44.3 Å²	44.3	6%	0.063	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.6	175.5	-77	-110.6	0	0	0	109.4	F151 Y257 Y360 Y361 L363 A378 F382 N411	F151-Y380 WeakPolarHBondContact CE1-OH 3.47Å; Y257-Y380 HydrophobicContact CE1-CE1 4.24Å; Y360-Y380 CarbonylContact C-O 3.58Å; Y360-Y380 WeakPolarHBondContact CA-O 3.25Å; Y360-Y380 VanDerWaalsContact CB-O 3.24Å; Y360-Y380 WeakPolarHBondContact CB-O 3.49Å; Y361-Y380 HydrophobicContact CD2-CD2 4.48Å; Y361-Y380 HydrophobicContact CD2-CG 4.37Å; Y361-Y380 VanDerWaalsContact CE2-CB 3.47Å; Y361-Y380 HydrophobicContact CE2-CD1 4.3Å; Y361-Y380 HydrophobicContact CE2-CD2 4.02Å; Y361-Y380 AromaticContact CE2-CG 3.7Å; Y361-Y380 HydrophobicContact CE2-CG 3.7Å; Y361-Y380 AromaticContact CZ-CG 3.84Å; Y361-Y380 PolarHBondContact N-O 2.72Å; Y361-Y380 PolarHBondContact O-N 3.19Å; L363-Y380 HydrophobicContact CB-CD2 3.84Å; L363-Y380 HydrophobicContact CB-CE2 3.71Å; L363-Y380 HydrophobicContact CD2-CE2 4.06Å; L363-Y380 HydrophobicContact CG-CE2 4.09Å; A378-Y380 HydrophobicContact CB-CD2 4.33Å; A378-Y380 HydrophobicContact CB-CE2 3.82Å; Y380-F382 PolarHBondContact O-N 2.82Å; Y380-N411 HydrophobicContact CD1-CB 3.76Å; Y380-N411 HydrophobicContact CD2-CB 4.31Å; Y380-N411 HydrophobicContact CE1-CB 3.9Å; Y380-N411 HydrophobicContact CE2-CB 4.41Å; Y380-N411 WeakPolarHBondContact CE2-ND2 3.46Å; Y380-N411 HydrophobicContact CG-CB 3.99Å; Y380-N411 PolarHBondContact OH-ND2 2.86Å
381	L	97.3	Very high	95.4	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	128.9	175.2	-175.1	63.3	0	0	0	110	V358 I395 F410 N411 A412 F421	V358-L381 HydrophobicContact CG2-CD1 4.11Å; L381-I395 HydrophobicContact CD1-CD1 3.85Å; L381-I395 HydrophobicContact CD2-CD1 4.3Å; L381-F410 HydrophobicContact CB-CE1 3.83Å; L381-F410 HydrophobicContact CB-CZ 4.31Å; L381-F410 HydrophobicContact CD1-CE1 4.21Å; L381-F410 HydrophobicContact CD1-CZ 4.16Å; L381-F410 HydrophobicContact CG-CE1 4.49Å; L381-N411 PolarHBondContact N-O 3.31Å; L381-A412 HydrophobicContact CB-CB 4.1Å; L381-A412 HydrophobicContact CD2-CB 4.23Å; L381-F421 HydrophobicContact CD2-CE1 4.29Å; L381-F421 HydrophobicContact CD2-CE2 4.33Å; L381-F421 HydrophobicContact CD2-CZ 3.49Å; L381-F421 VanDerWaalsContact CD2-CZ 3.49Å
382	F	95.9	Very high	95.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-77.5	-169.7	-173.1	-135.1	0	0	0	110.8	W160 W335 F336 I343 S359 Y361 Y380 A454 Y455	W160-F382 HydrophobicContact CH2-CZ 4.49Å; W335-F382 HydrophobicContact CB-CE1 4.37Å; W335-F382 HydrophobicContact CB-CZ 4.43Å; F336-F382 AromaticContact CD1-CD1 3.9Å; F336-F382 HydrophobicContact CD1-CD1 3.9Å; F336-F382 AromaticContact CD1-CE1 3.7Å; F336-F382 HydrophobicContact CD1-CE1 3.7Å; F336-F382 AromaticContact CE1-CD1 3.5Å; F336-F382 HydrophobicContact CE1-CD1 3.5Å; F336-F382 VanDerWaalsContact CE1-CD1 3.5Å; F336-F382 AromaticContact CE1-CE1 3.26Å; F336-F382 HydrophobicContact CE1-CE1 3.26Å; F336-F382 HydrophobicContact CE1-CZ 4.22Å; F336-F382 HydrophobicContact CZ-CD1 4.47Å; F336-F382 AromaticContact CZ-CE1 3.92Å; F336-F382 HydrophobicContact CZ-CE1 3.92Å; I343-F382 HydrophobicContact CD1-CD1 3.64Å; I343-F382 HydrophobicContact CD1-CE1 4.09Å; I343-F382 HydrophobicContact CD1-CG 4.33Å; S359-F382 WeakPolarHBondContact O-CB 3.32Å; S359-F382 PolarHBondContact O-N 2.84Å; Y361-F382 HydrophobicContact CD1-CB 4.03Å; Y361-F382 AromaticContact CD1-CD2 3.74Å; Y361-F382 HydrophobicContact CD1-CD2 3.74Å; Y361-F382 HydrophobicContact CD1-CE2 4.46Å; Y361-F382 HydrophobicContact CD1-CG 4.04Å; Y361-F382 AromaticContact CE1-CD2 3.97Å; Y361-F382 HydrophobicContact CE1-CD2 3.97Å; Y380-F382 PolarHBondContact O-N 2.82Å; F382-A454 HydrophobicContact CD2-CB 4.4Å; F382-A454 WeakPolarHBondContact CD2-O 3.32Å; F382-A454 WeakPolarHBondContact CE2-O 3.34Å; F382-Y455 HydrophobicContact CD2-CE1 4.5Å; F382-Y455 AromaticContact CE2-CD1 3.91Å; F382-Y455 HydrophobicContact CE2-CD1 3.91Å; F382-Y455 AromaticContact CE2-CE1 3.33Å; F382-Y455 HydrophobicContact CE2-CE1 3.33Å; F382-Y455 HydrophobicContact CE2-CE2 4.4Å; F382-Y455 AromaticContact CE2-CZ 3.62Å; F382-Y455 AromaticContact CZ-CE1 3.62Å; F382-Y455 HydrophobicContact CZ-CE1 3.62Å; F382-Y455 AromaticContact CZ-CZ 3.66Å; F382-Y455 WeakPolarHBondContact CZ-OH 2.88Å
383	Y	95.9	Very high	95.9	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	146.5	169.8	-64.6	-104.7	0	0	0	110.3	L314 L318 P325 F327 F336 S359 I452	L314-Y383 HydrophobicContact CD1-CD1 4.1Å; L318-Y383 HydrophobicContact CD2-CD1 4.22Å; L318-Y383 HydrophobicContact CD2-CE1 4.23Å; P325-Y383 HydrophobicContact CG-CE1 4.07Å; F327-Y383 HydrophobicContact CE2-CE1 4.33Å; F327-Y383 HydrophobicContact CZ-CE2 4.38Å; F336-Y383 AromaticContact CE1-CD2 3.52Å; F336-Y383 HydrophobicContact CE1-CD2 3.52Å; F336-Y383 HydrophobicContact CE1-CE2 4.31Å; F336-Y383 AromaticContact CE1-CG 3.95Å; F336-Y383 HydrophobicContact CE1-CG 3.95Å; F336-Y383 AromaticContact CZ-CD2 3.59Å; F336-Y383 HydrophobicContact CZ-CD2 3.59Å; F336-Y383 HydrophobicContact CZ-CE2 4.05Å; F336-Y383 AromaticContact CZ-CG 3.94Å; F336-Y383 HydrophobicContact CZ-CG 3.94Å; S359-Y383 PolarHBondContact N-O 3.49Å; S359-Y383 PolarHBondContact OG-N 2.92Å; S359-Y383 VanDerWaalsContact OG-N 3.11Å; S359-Y383 PolarHBondContact OG-O 2.85Å; Y383-I452 HydrophobicContact CD1-CD1 4.21Å; Y383-I452 HydrophobicContact CD1-CG1 3.93Å; Y383-I452 HydrophobicContact CE1-CD1 4.43Å; Y383-I452 HydrophobicContact CE1-CG1 3.71Å
384	S	96.1	Very high	96.2	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.028	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	139.9	176.3	56.4	0	0	0	0	111.5	F357	F357-S384 CarbonylContact O-C 3.54Å; F357-S384 VanDerWaalsContact O-CA 3.26Å; F357-S384 WeakPolarHBondContact O-CA 3.11Å
385	V	96.3	Very high	96.4	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.1	175.4	-175.5	0	0	0	0	108.7	L313 L314 H317 D356 F357 T387 L394	L313-V385 HydrophobicContact CB-CG1 4.18Å; L314-V385 HydrophobicContact CB-CG2 4.44Å; L314-V385 HydrophobicContact CD1-CG2 3.79Å; H317-V385 HydrophobicContact CB-CB 4.4Å; H317-V385 HydrophobicContact CB-CG1 3.86Å; H317-V385 HydrophobicContact CB-CG2 3.78Å; D356-V385 CarbonylContact C-O 3.51Å; D356-V385 WeakPolarHBondContact CA-O 3.38Å; F357-V385 HydrophobicContact CB-CB 4.34Å; F357-V385 HydrophobicContact CD1-CG2 4.44Å; F357-V385 PolarHBondContact N-O 3.25Å; F357-V385 PolarHBondContact O-N 3.27Å; V385-T387 HydrophobicContact CG1-CG2 4.11Å; V385-L394 WeakPolarHBondContact O-CD2 3.4Å
386	S	95.6	Very high	96.7	Very high	40 Å²	40	28.3 Å²	28.3	28%	0.28	15%	0.148	S	C	.	.			trans	-120.6	123.3	177.4	115.4	0	0	0	0	108.9	D356 T389 I391	D356-S386 WeakPolarHBondContact OD1-CA 3.27Å; S386-T389 WeakPolarHBondContact CB-O 3.37Å; S386-T389 PolarHBondContact OG-O 2.93Å; S386-I391 PolarHBondContact OG-N 3.13Å
387	T	96	Very high	96.9	Very high	82 Å²	82	28.2 Å²	28.2	50%	0.503	15%	0.147	S	C	.	.	S	Bend	trans	-126.1	-39.5	178	72.7	0	0	0	0	112.8	L313 T355 D356 V385	L313-T387 HydrophobicContact CD2-CG2 4.09Å; T355-T387 WeakPolarHBondContact O-CG2 3.41Å; T355-T387 PolarHBondContact O-OG1 3.24Å; D356-T387 PolarHBondContact OD1-N 3.45Å; V385-T387 HydrophobicContact CG1-CG2 4.11Å
388	K	96.3	Very high	97	Very high	122 Å²	122	24.9 Å²	24.9	53%	0.53	14%	0.135	S	C	.	.	S	Bend	trans	-112.9	-44.2	174	-70.6	-169.4	-173	165.9	0	111.5	D350 T355 D356 P390	D350-K388 IonicContact OD2-NZ 3.76Å; D350-K388 PolarHBondContact OD2-NZ 3.12Å; T355-K388 HydrophobicContact CG2-CD 3.69Å; T355-K388 HydrophobicContact CG2-CG 4.21Å; D356-K388 PolarHBondContact OD1-N 2.78Å; K388-P390 WeakPolarHBondContact O-CD 3.1Å
389	T	96.9	Very high	97.1	Very high	13 Å²	13	24.8 Å²	24.8	8%	0.08	13%	0.134	C	C	.	.	S	Bend	trans	-79.4	119.7	178.4	-54.7	0	0	0	0	108.7	T296 D356 S386 I391 Q393 L394	T296-T389 HydrophobicContact CG2-CG2 3.71Å; T296-T389 WeakPolarHBondContact CG2-OG1 3.33Å; D356-T389 VanDerWaalsContact CG-CB 3.48Å; D356-T389 VanDerWaalsContact CG-OG1 3.31Å; D356-T389 PolarHBondContact OD1-N 3.06Å; D356-T389 WeakPolarHBondContact OD2-CB 3.38Å; D356-T389 PolarHBondContact OD2-N 2.74Å; D356-T389 PolarHBondContact OD2-OG1 3.26Å; S386-T389 WeakPolarHBondContact CB-O 3.37Å; S386-T389 PolarHBondContact OG-O 2.93Å; T389-I391 PolarHBondContact O-N 2.88Å; T389-Q393 HydrophobicContact CG2-CB 4.44Å; T389-Q393 HydrophobicContact CG2-CG 4.43Å; T389-L394 HydrophobicContact CG2-CB 3.95Å
390	P	97	Very high	97.2	Very high	89 Å²	89	24.8 Å²	24.8	58%	0.578	13%	0.134	S	C	*	.			trans	-56.9	133.3	178.2	-25.2	34.8	0	0	0	111.2	K388 N392 Q393 L394	K388-P390 WeakPolarHBondContact O-CD 3.1Å; P390-N392 PolarHBondContact O-N 2.95Å; P390-N392 VanDerWaalsContact O-N 3.08Å; P390-Q393 WeakPolarHBondContact O-CA 3.35Å; P390-Q393 WeakPolarHBondContact O-CB 3.22Å; P390-Q393 PolarHBondContact O-N 2.97Å; P390-L394 PolarHBondContact O-N 3.29Å
391	I	96.6	Very high	97.3	Very high	18 Å²	18	25.6 Å²	25.6	9%	0.092	14%	0.139	C	C	.	.	H	α-helix	trans	-51.3	-39.6	-172.7	-173	63.2	0	0	0	113.2	S386 T389 Q393 L394 I395 F421	S386-I391 PolarHBondContact OG-N 3.13Å; T389-I391 PolarHBondContact O-N 2.88Å; I391-Q393 VanDerWaalsContact C-N 3.29Å; I391-Q393 PolarHBondContact O-N 3.07Å; I391-L394 HydrophobicContact CD1-CD2 4.22Å; I391-L394 PolarHBondContact O-N 3.47Å; I391-I395 HydrophobicContact CD1-CD1 4.09Å; I391-I395 HydrophobicContact CD1-CG1 3.83Å; I391-I395 HydrophobicContact CG1-CG1 4.13Å; I391-I395 WeakPolarHBondContact O-CG1 3.47Å; I391-I395 PolarHBondContact O-N 3.06Å; I391-F421 HydrophobicContact CG1-CD1 3.77Å; I391-F421 HydrophobicContact CG1-CE1 4.17Å
392	N	97.1	Very high	97.3	Very high	31 Å²	31	25.2 Å²	25.2	17%	0.166	14%	0.137	C	C	.	.	H	α-helix	trans	-60.1	-38.4	177.4	-58.2	21	0	0	0	111.9	P390 F396 K420 F421 E424 L425	P390-N392 PolarHBondContact O-N 2.95Å; P390-N392 VanDerWaalsContact O-N 3.08Å; N392-F396 WeakPolarHBondContact O-CB 3.18Å; N392-F396 PolarHBondContact O-N 3.09Å; N392-K420 PolarHBondContact ND2-O 3.49Å; N392-K420 PolarHBondContact OD1-O 3.31Å; N392-F421 HydrophobicContact CB-CB 4.35Å; N392-F421 WeakPolarHBondContact OD1-CB 3.43Å; N392-E424 WeakPolarHBondContact CB-OE1 3.36Å; N392-E424 PolarHBondContact ND2-OE1 2.89Å; N392-E424 PolarHBondContact ND2-OE2 2.9Å; N392-L425 WeakPolarHBondContact O-CD1 3.4Å
393	Q	98	Very high	97.5	Very high	49 Å²	49	28.3 Å²	28.3	23%	0.229	15%	0.151	C	C	.	.	H	α-helix	trans	-76.5	-39.4	177.1	-177.7	49.4	72.5	0	0	111.6	T389 P390 I391 F396 D397	T389-Q393 HydrophobicContact CG2-CB 4.44Å; T389-Q393 HydrophobicContact CG2-CG 4.43Å; P390-Q393 WeakPolarHBondContact O-CA 3.35Å; P390-Q393 WeakPolarHBondContact O-CB 3.22Å; P390-Q393 PolarHBondContact O-N 2.97Å; I391-Q393 VanDerWaalsContact C-N 3.29Å; I391-Q393 PolarHBondContact O-N 3.07Å; Q393-F396 PolarHBondContact O-N 3.37Å; Q393-D397 PolarHBondContact NE2-OD1 2.88Å; Q393-D397 PolarHBondContact NE2-OD2 3.38Å; Q393-D397 PolarHBondContact O-N 3.1Å
394	L	98.3	Very high	97.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-60.3	-46.2	175.1	-177.8	63.8	0	0	0	111.9	M299 V348 D356 V358 V385 T389 P390 I391 D397 A398	M299-L394 HydrophobicContact CE-CD1 4.36Å; V348-L394 HydrophobicContact CG2-CD1 3.98Å; D356-L394 HydrophobicContact CB-CD1 4.23Å; D356-L394 HydrophobicContact CB-CD2 4.14Å; V358-L394 HydrophobicContact CB-CD1 4.31Å; V358-L394 HydrophobicContact CB-CD2 4.42Å; V358-L394 HydrophobicContact CB-CG 4.15Å; V358-L394 HydrophobicContact CG1-CD1 3.96Å; V358-L394 HydrophobicContact CG1-CG 4.25Å; V385-L394 WeakPolarHBondContact O-CD2 3.4Å; T389-L394 HydrophobicContact CG2-CB 3.95Å; P390-L394 PolarHBondContact O-N 3.29Å; I391-L394 HydrophobicContact CD1-CD2 4.22Å; I391-L394 PolarHBondContact O-N 3.47Å; L394-D397 PolarHBondContact O-N 3.09Å; L394-A398 PolarHBondContact O-N 2.78Å; L394-A398 VanDerWaalsContact O-N 3.09Å
395	I	98.3	Very high	97.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-72.5	-35.1	176.7	-57.8	-56.5	0	0	0	111.3	V358 L381 I391 D397 A398 L399 F421 L425	V358-I395 HydrophobicContact CG2-CD1 3.78Å; L381-I395 HydrophobicContact CD1-CD1 3.85Å; L381-I395 HydrophobicContact CD2-CD1 4.3Å; I391-I395 HydrophobicContact CD1-CD1 4.09Å; I391-I395 HydrophobicContact CD1-CG1 3.83Å; I391-I395 HydrophobicContact CG1-CG1 4.13Å; I391-I395 WeakPolarHBondContact O-CG1 3.47Å; I391-I395 PolarHBondContact O-N 3.06Å; I395-D397 VanDerWaalsContact C-N 3.26Å; I395-D397 PolarHBondContact O-N 2.94Å; I395-A398 WeakPolarHBondContact O-CB 3.4Å; I395-A398 PolarHBondContact O-N 3.38Å; I395-L399 HydrophobicContact CG2-CG 4.49Å; I395-L399 WeakPolarHBondContact O-CG 3.4Å; I395-L399 PolarHBondContact O-N 2.84Å; I395-F421 HydrophobicContact CB-CD2 4.4Å; I395-F421 HydrophobicContact CB-CG 4.44Å; I395-F421 HydrophobicContact CD1-CE1 4.4Å; I395-F421 HydrophobicContact CG1-CD1 3.89Å; I395-F421 HydrophobicContact CG1-CD2 4.47Å; I395-F421 HydrophobicContact CG1-CE1 3.73Å; I395-F421 HydrophobicContact CG1-CE2 4.39Å; I395-F421 HydrophobicContact CG1-CG 4.27Å; I395-F421 HydrophobicContact CG1-CZ 4.04Å; I395-F421 HydrophobicContact CG2-CD2 3.98Å; I395-F421 HydrophobicContact CG2-CE2 3.86Å; I395-F421 HydrophobicContact CG2-CG 4.5Å; I395-F421 HydrophobicContact CG2-CZ 4.24Å; I395-L425 HydrophobicContact CB-CD1 3.72Å; I395-L425 HydrophobicContact CG2-CD1 3.61Å
396	F	98.5	Very high	97.6	Very high	43 Å²	43	36 Å²	36	19%	0.189	21%	0.207	C	C	.	.	H	α-helix	trans	-58.5	-38.6	173.2	-179.4	-95.6	0	0	0	112.3	L290 P291 K295 N392 Q393 L399 I400 L425	L290-F396 HydrophobicContact CD2-CD2 4.02Å; L290-F396 HydrophobicContact CD2-CE2 3.59Å; L290-F396 HydrophobicContact CD2-CZ 4.15Å; P291-F396 HydrophobicContact CG-CE1 4.18Å; P291-F396 HydrophobicContact CG-CZ 4.25Å; K295-F396 HydrophobicContact CD-CD1 4.29Å; K295-F396 HydrophobicContact CD-CE1 4Å; N392-F396 WeakPolarHBondContact O-CB 3.18Å; N392-F396 PolarHBondContact O-N 3.09Å; Q393-F396 PolarHBondContact O-N 3.37Å; F396-L399 WeakPolarHBondContact O-CB 3.33Å; F396-L399 PolarHBondContact O-N 3.3Å; F396-I400 HydrophobicContact CD1-CD1 3.66Å; F396-I400 HydrophobicContact CE1-CD1 3.45Å; F396-I400 VanDerWaalsContact CE1-CD1 3.45Å; F396-I400 HydrophobicContact CE1-CG1 4.47Å; F396-I400 HydrophobicContact CZ-CD1 4.22Å; F396-I400 WeakPolarHBondContact O-CD1 3.44Å; F396-I400 WeakPolarHBondContact O-CG1 3.37Å; F396-I400 PolarHBondContact O-N 2.97Å; F396-L425 HydrophobicContact CB-CD2 3.99Å; F396-L425 HydrophobicContact CD2-CD2 4.12Å
397	D	98.6	Very high	97.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-73.4	-35.9	175	-71.6	-25.6	0	0	0	112.6	T294 K295 T296 M299 Q393 L394 I395 L399 I400 L401	T294-D397 VanDerWaalsContact CA-OD1 3.29Å; T294-D397 WeakPolarHBondContact CA-OD1 3.16Å; T294-D397 HydrophobicContact CG2-CB 3.7Å; K295-D397 VanDerWaalsContact N-CG 3.35Å; K295-D397 PolarHBondContact N-OD1 2.79Å; K295-D397 PolarHBondContact N-OD2 3.19Å; T296-D397 VanDerWaalsContact CB-OD2 3.25Å; T296-D397 WeakPolarHBondContact CB-OD2 3.26Å; T296-D397 PolarHBondContact N-OD2 2.93Å; T296-D397 PolarHBondContact OG1-OD2 2.66Å; M299-D397 HydrophobicContact CE-CB 4.25Å; M299-D397 HydrophobicContact SD-CB 3.57Å; M299-D397 VanDerWaalsContact SD-CB 3.57Å; Q393-D397 PolarHBondContact NE2-OD1 2.88Å; Q393-D397 PolarHBondContact NE2-OD2 3.38Å; Q393-D397 PolarHBondContact O-N 3.1Å; L394-D397 PolarHBondContact O-N 3.09Å; I395-D397 VanDerWaalsContact C-N 3.26Å; I395-D397 PolarHBondContact O-N 2.94Å; D397-L399 VanDerWaalsContact C-N 3.32Å; D397-L399 PolarHBondContact O-N 2.92Å; D397-I400 WeakPolarHBondContact O-CB 3.22Å; D397-I400 PolarHBondContact O-N 3.28Å; D397-I400 VanDerWaalsContact O-N 3.12Å; D397-L401 WeakPolarHBondContact O-CG 3.34Å; D397-L401 PolarHBondContact O-N 2.76Å
398	A	98.6	Very high	97.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.3	-38.5	169.3	0	0	0	0	0	112.8	V358 Y360 L394 I395 I400 L401 A402 F410	V358-A398 HydrophobicContact CG1-CB 4.14Å; V358-A398 HydrophobicContact CG2-CB 3.8Å; Y360-A398 HydrophobicContact CD1-CB 4.41Å; Y360-A398 HydrophobicContact CE1-CB 4.38Å; L394-A398 PolarHBondContact O-N 2.78Å; L394-A398 VanDerWaalsContact O-N 3.09Å; I395-A398 WeakPolarHBondContact O-CB 3.4Å; I395-A398 PolarHBondContact O-N 3.38Å; A398-I400 VanDerWaalsContact C-N 3.32Å; A398-I400 PolarHBondContact O-N 3.35Å; A398-L401 PolarHBondContact O-N 2.8Å; A398-A402 WeakPolarHBondContact O-CB 3.39Å; A398-A402 PolarHBondContact O-N 2.66Å; A398-F410 HydrophobicContact CB-CZ 4.44Å
399	L	98.7	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-35.4	173.3	-67.8	175	0	0	0	112.3	R260 L262 L290 I395 F396 D397 K403 F410 L425 F427	R260-L399 HydrophobicContact CB-CD2 4.25Å; R260-L399 HydrophobicContact CG-CD1 3.92Å; R260-L399 HydrophobicContact CG-CD2 3.71Å; R260-L399 HydrophobicContact CG-CG 4.49Å; L262-L399 HydrophobicContact CD2-CB 4.47Å; L262-L399 HydrophobicContact CD2-CD2 4.18Å; L290-L399 HydrophobicContact CD1-CB 3.67Å; L290-L399 WeakPolarHBondContact CD1-O 3.38Å; L290-L399 HydrophobicContact CD2-CB 4.47Å; I395-L399 HydrophobicContact CG2-CG 4.49Å; I395-L399 WeakPolarHBondContact O-CG 3.4Å; I395-L399 PolarHBondContact O-N 2.84Å; F396-L399 WeakPolarHBondContact O-CB 3.33Å; F396-L399 PolarHBondContact O-N 3.3Å; D397-L399 VanDerWaalsContact C-N 3.32Å; D397-L399 PolarHBondContact O-N 2.92Å; L399-K403 VanDerWaalsContact O-CB 3.28Å; L399-K403 WeakPolarHBondContact O-CB 3.47Å; L399-K403 PolarHBondContact O-N 3.15Å; L399-F410 HydrophobicContact CD2-CB 3.45Å; L399-F410 VanDerWaalsContact CD2-CB 3.45Å; L399-F410 HydrophobicContact CD2-CD1 3.53Å; L399-F410 HydrophobicContact CD2-CD2 3.94Å; L399-F410 HydrophobicContact CD2-CE1 4.15Å; L399-F410 HydrophobicContact CD2-CG 3.39Å; L399-L425 HydrophobicContact CD1-CB 4.25Å; L399-L425 HydrophobicContact CD1-CD1 4.25Å; L399-F427 HydrophobicContact CD1-CE2 4.17Å; L399-F427 HydrophobicContact CD2-CE2 4.43Å; L399-F427 HydrophobicContact CD2-CZ 4.07Å
400	I	98.7	Very high	98	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.9	-45.8	175	-69.6	155.6	0	0	0	110.3	L290 P291 T294 F396 D397 A398 K403 N404	L290-I400 HydrophobicContact CB-CG1 4.03Å; P291-I400 HydrophobicContact CG-CD1 3.48Å; P291-I400 VanDerWaalsContact CG-CD1 3.48Å; P291-I400 HydrophobicContact CG-CG1 3.94Å; T294-I400 HydrophobicContact CG2-CB 4.38Å; T294-I400 HydrophobicContact CG2-CG2 4.23Å; F396-I400 HydrophobicContact CD1-CD1 3.66Å; F396-I400 HydrophobicContact CE1-CD1 3.45Å; F396-I400 VanDerWaalsContact CE1-CD1 3.45Å; F396-I400 HydrophobicContact CE1-CG1 4.47Å; F396-I400 HydrophobicContact CZ-CD1 4.22Å; F396-I400 WeakPolarHBondContact O-CD1 3.44Å; F396-I400 WeakPolarHBondContact O-CG1 3.37Å; F396-I400 PolarHBondContact O-N 2.97Å; D397-I400 WeakPolarHBondContact O-CB 3.22Å; D397-I400 PolarHBondContact O-N 3.28Å; D397-I400 VanDerWaalsContact O-N 3.12Å; A398-I400 VanDerWaalsContact C-N 3.32Å; A398-I400 PolarHBondContact O-N 3.35Å; I400-K403 PolarHBondContact O-N 3.13Å; I400-N404 WeakPolarHBondContact O-CB 3.47Å; I400-N404 PolarHBondContact O-N 3.01Å; I400-N404 PolarHBondContact O-ND2 2.93Å
401	L	98.4	Very high	97.9	Very high	33 Å²	33	20.4 Å²	20.4	17%	0.173	12%	0.117	C	C	.	.	H	α-helix	trans	-60.6	-47.9	178.2	-70.6	161.6	0	0	0	111.6	T294 M299 Y346 D397 A398 K403 N404 A405	T294-L401 HydrophobicContact CG2-CD1 4.08Å; T294-L401 HydrophobicContact CG2-CD2 4.14Å; T294-L401 HydrophobicContact CG2-CG 3.79Å; M299-L401 HydrophobicContact CE-CD1 3.49Å; M299-L401 VanDerWaalsContact CE-CD1 3.49Å; M299-L401 HydrophobicContact SD-CD1 3.88Å; Y346-L401 HydrophobicContact CD1-CD1 3.75Å; Y346-L401 HydrophobicContact CD2-CD1 3.92Å; Y346-L401 HydrophobicContact CE1-CD1 3.78Å; Y346-L401 HydrophobicContact CE1-CD2 3.9Å; Y346-L401 HydrophobicContact CE1-CG 4.33Å; Y346-L401 HydrophobicContact CE2-CB 4.26Å; Y346-L401 HydrophobicContact CE2-CD1 3.92Å; Y346-L401 HydrophobicContact CG-CD1 3.84Å; D397-L401 WeakPolarHBondContact O-CG 3.34Å; D397-L401 PolarHBondContact O-N 2.76Å; A398-L401 PolarHBondContact O-N 2.8Å; L401-K403 PolarHBondContact O-N 2.8Å; L401-N404 PolarHBondContact O-N 2.7Å; L401-A405 WeakPolarHBondContact O-CB 3.48Å; L401-A405 PolarHBondContact O-N 2.89Å
402	A	98.6	Very high	97.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.4	-43.6	174.6	0	0	0	0	0	112.2	L262 Y360 A379 A398 N404 A405 G406 Y407 F410	L262-A402 HydrophobicContact CD1-CB 3.89Å; Y360-A402 HydrophobicContact CE1-CB 4.46Å; Y360-A402 HydrophobicContact CE2-CB 4.19Å; Y360-A402 PolarHBondContact OH-N 2.74Å; A379-A402 HydrophobicContact CB-CB 4.3Å; A398-A402 WeakPolarHBondContact O-CB 3.39Å; A398-A402 PolarHBondContact O-N 2.66Å; A402-N404 VanDerWaalsContact C-N 3.33Å; A402-N404 PolarHBondContact O-N 2.77Å; A402-A405 PolarHBondContact O-N 2.82Å; A402-G406 PolarHBondContact O-N 3Å; A402-Y407 HydrophobicContact CB-CD2 4.04Å; A402-Y407 HydrophobicContact CB-CG 4.35Å; A402-Y407 WeakPolarHBondContact O-CB 3.43Å; A402-Y407 VanDerWaalsContact O-CD2 3.24Å; A402-Y407 WeakPolarHBondContact O-CD2 3.47Å; A402-Y407 PolarHBondContact O-N 2.87Å; A402-F410 HydrophobicContact CB-CD2 3.66Å; A402-F410 HydrophobicContact CB-CE2 4Å
403	K	98.2	Very high	97.7	Very high	65 Å²	65	18.8 Å²	18.8	28%	0.283	11%	0.109	S	C	.	.	H	α-helix	trans	-61.3	-42.1	175.9	179.2	-172	158.8	-132.8	0	111.9	L262 L290 P291 L399 I400 L401 G406	L262-K403 HydrophobicContact CB-CB 4.36Å; L262-K403 HydrophobicContact CD1-CB 4.39Å; L262-K403 HydrophobicContact CD2-CB 4.37Å; L290-K403 HydrophobicContact CB-CD 3.8Å; L290-K403 HydrophobicContact CD1-CB 4.27Å; L290-K403 HydrophobicContact CD1-CD 4.05Å; L290-K403 HydrophobicContact CG-CD 4.39Å; L290-K403 PolarHBondContact O-NZ 2.98Å; P291-K403 PolarHBondContact O-NZ 3.49Å; L399-K403 VanDerWaalsContact O-CB 3.28Å; L399-K403 WeakPolarHBondContact O-CB 3.47Å; L399-K403 PolarHBondContact O-N 3.15Å; I400-K403 PolarHBondContact O-N 3.13Å; L401-K403 PolarHBondContact O-N 2.8Å; K403-G406 PolarHBondContact O-N 2.68Å
404	N	97.6	Very high	97.5	Very high	88 Å²	88	17.9 Å²	17.9	47%	0.471	11%	0.106	S	C	.	.	H	α-helix	trans	-68.2	-37.1	178.6	-72.1	-14.1	0	0	0	112.4	K292 I400 L401 A402 G406	K292-N404 PolarHBondContact O-ND2 2.99Å; I400-N404 WeakPolarHBondContact O-CB 3.47Å; I400-N404 PolarHBondContact O-N 3.01Å; I400-N404 PolarHBondContact O-ND2 2.93Å; L401-N404 PolarHBondContact O-N 2.7Å; A402-N404 VanDerWaalsContact C-N 3.33Å; A402-N404 PolarHBondContact O-N 2.77Å; N404-G406 PolarHBondContact O-N 3.29Å
405	A	97.3	Very high	97.3	Very high	42 Å²	42	18 Å²	18	35%	0.347	11%	0.106	S	C	.	.	H	α-helix	trans	-67.8	-10.5	173.3	0	0	0	0	0	113	R377 L401 A402 Y407	R377-A405 PolarHBondContact NH1-O 2.86Å; L401-A405 WeakPolarHBondContact O-CB 3.48Å; L401-A405 PolarHBondContact O-N 2.89Å; A402-A405 PolarHBondContact O-N 2.82Å; A405-Y407 HydrophobicContact CB-CD2 3.89Å; A405-Y407 HydrophobicContact CB-CE2 3.9Å
406	G	97.2	Very high	97	Very high	40 Å²	40	18.1 Å²	18.1	41%	0.412	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	33.5	175.7	0	0	0	0	0	114.2	R377 A402 K403 N404	R377-G406 PolarHBondContact NH1-O 2.8Å; A402-G406 PolarHBondContact O-N 3Å; K403-G406 PolarHBondContact O-N 2.68Å; N404-G406 PolarHBondContact O-N 3.29Å
407	Y	98.3	Very high	96.7	Very high	5 Å²	5	17.4 Å²	17.4	2%	0.02	11%	0.105	C	C	.	.			trans	-83.1	147.9	168.2	-69.6	-97.9	0	0	0	111.2	L262 Y360 T362 R377 A378 A379 A402 A405	L262-Y407 WeakPolarHBondContact CB-O 3.48Å; Y360-Y407 AromaticContact CE2-CE2 3.9Å; Y360-Y407 HydrophobicContact CE2-CE2 3.9Å; T362-Y407 HydrophobicContact CG2-CE1 3.93Å; T362-Y407 PolarHBondContact OG1-OH 3.41Å; R377-Y407 HydrophobicContact CG-CD1 3.83Å; R377-Y407 HydrophobicContact CG-CE1 4.22Å; R377-Y407 HydrophobicContact CG-CG 4.38Å; R377-Y407 CarbonylContact O-C 3.46Å; R377-Y407 WeakPolarHBondContact O-CA 3.35Å; A378-Y407 VanDerWaalsContact C-CD1 3.42Å; A378-Y407 WeakPolarHBondContact O-CE1 3.45Å; A379-Y407 HydrophobicContact CB-CD1 3.56Å; A379-Y407 HydrophobicContact CB-CE1 3.62Å; A379-Y407 HydrophobicContact CB-CG 4.01Å; A379-Y407 VanDerWaalsContact N-CD1 3.28Å; A402-Y407 HydrophobicContact CB-CD2 4.04Å; A402-Y407 HydrophobicContact CB-CG 4.35Å; A402-Y407 WeakPolarHBondContact O-CB 3.43Å; A402-Y407 VanDerWaalsContact O-CD2 3.24Å; A402-Y407 WeakPolarHBondContact O-CD2 3.47Å; A402-Y407 PolarHBondContact O-N 2.87Å; A405-Y407 HydrophobicContact CB-CD2 3.89Å; A405-Y407 HydrophobicContact CB-CE2 3.9Å
408	D	97.9	Very high	96.6	Very high	10 Å²	10	17.5 Å²	17.5	5%	0.053	11%	0.106	C	C	.	.	S	Bend	trans	-93.4	-32.2	-177.5	-63	-59.2	0	0	0	113.2	L262 N263 K266 L267 I376 R377	L262-D408 CarbonylContact C-O 3.51Å; L262-D408 WeakPolarHBondContact CA-O 3.25Å; L262-D408 WeakPolarHBondContact CB-O 3.43Å; L262-D408 PolarHBondContact N-O 3.48Å; N263-D408 HydrophobicContact CB-CB 4.07Å; N263-D408 WeakPolarHBondContact CB-OD1 3.39Å; N263-D408 PolarHBondContact N-O 2.83Å; N263-D408 PolarHBondContact ND2-OD1 3.48Å; K266-D408 WeakPolarHBondContact CD-OD1 3.45Å; K266-D408 IonicContact NZ-OD1 2.72Å; K266-D408 IonicContact NZ-OD2 3.37Å; K266-D408 PolarHBondContact NZ-OD2 3.13Å; L267-D408 WeakPolarHBondContact CD1-O 3.25Å; L267-D408 HydrophobicContact CD2-CB 4.07Å; I376-D408 HydrophobicContact CG2-CB 3.92Å; R377-D408 PolarHBondContact N-OD2 2.81Å; R377-D408 PolarHBondContact O-N 2.87Å
409	V	97.4	Very high	96.3	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	148.1	179.3	67	0	0	0	0	109.4	H259 R260 L267 F272 I376 A378 A379 N411	H259-V409 HydrophobicContact CB-CG2 4.21Å; R260-V409 WeakPolarHBondContact O-CA 3.32Å; L267-V409 HydrophobicContact CD1-CB 3.96Å; L267-V409 HydrophobicContact CD1-CG2 4.21Å; L267-V409 HydrophobicContact CD2-CB 4.26Å; F272-V409 HydrophobicContact CE1-CB 4.38Å; F272-V409 HydrophobicContact CE1-CG1 4.42Å; F272-V409 HydrophobicContact CE1-CG2 3.87Å; F272-V409 HydrophobicContact CZ-CG1 4.4Å; F272-V409 HydrophobicContact CZ-CG2 4.35Å; I376-V409 HydrophobicContact CG2-CG1 3.96Å; A378-V409 WeakPolarHBondContact CA-O 3.27Å; A378-V409 HydrophobicContact CB-CG1 3.43Å; A378-V409 VanDerWaalsContact CB-CG1 3.43Å; A379-V409 PolarHBondContact N-O 3.07Å; V409-N411 WeakPolarHBondContact CG2-OD1 3.32Å
410	F	97.9	Very high	96.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.3	170.1	-162.7	-85.8	0	0	0	108.4	R260 L262 Y360 A379 L381 A398 L399 A402 F427	R260-F410 HydrophobicContact CB-CB 4.28Å; R260-F410 WeakPolarHBondContact CB-O 3.35Å; R260-F410 PolarHBondContact N-O 3.43Å; R260-F410 PolarHBondContact O-N 2.92Å; L262-F410 HydrophobicContact CD1-CB 4.16Å; L262-F410 HydrophobicContact CD2-CB 4.34Å; L262-F410 HydrophobicContact CG-CB 4.31Å; Y360-F410 AromaticContact CD1-CE2 3.6Å; Y360-F410 HydrophobicContact CD1-CE2 3.6Å; Y360-F410 AromaticContact CD1-CZ 3.97Å; Y360-F410 HydrophobicContact CD1-CZ 3.97Å; Y360-F410 HydrophobicContact CD2-CE2 4.29Å; Y360-F410 HydrophobicContact CE1-CE2 4.18Å; Y360-F410 AromaticContact CG-CE2 3.67Å; Y360-F410 HydrophobicContact CG-CE2 3.67Å; Y360-F410 HydrophobicContact CG-CZ 4.12Å; A379-F410 HydrophobicContact CB-CD2 3.51Å; A379-F410 HydrophobicContact CB-CE2 3.94Å; A379-F410 HydrophobicContact CB-CG 4.26Å; A379-F410 CarbonylContact O-C 3.56Å; A379-F410 WeakPolarHBondContact O-CA 2.94Å; L381-F410 HydrophobicContact CB-CE1 3.83Å; L381-F410 HydrophobicContact CB-CZ 4.31Å; L381-F410 HydrophobicContact CD1-CE1 4.21Å; L381-F410 HydrophobicContact CD1-CZ 4.16Å; L381-F410 HydrophobicContact CG-CE1 4.49Å; A398-F410 HydrophobicContact CB-CZ 4.44Å; L399-F410 HydrophobicContact CD2-CB 3.45Å; L399-F410 VanDerWaalsContact CD2-CB 3.45Å; L399-F410 HydrophobicContact CD2-CD1 3.53Å; L399-F410 HydrophobicContact CD2-CD2 3.94Å; L399-F410 HydrophobicContact CD2-CE1 4.15Å; L399-F410 HydrophobicContact CD2-CG 3.39Å; A402-F410 HydrophobicContact CB-CD2 3.66Å; A402-F410 HydrophobicContact CB-CE2 4Å; F410-F427 AromaticContact CD1-CE1 3.98Å; F410-F427 HydrophobicContact CD1-CE1 3.98Å; F410-F427 AromaticContact CD1-CZ 3.82Å; F410-F427 HydrophobicContact CD1-CZ 3.82Å; F410-F427 HydrophobicContact CE1-CZ 4.31Å
411	N	96	Very high	96.1	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	148.4	-175.1	-64.4	-28	0	0	0	109.8	W258 H259 A379 Y380 L381 V409	W258-N411 CarbonylContact O-C 3.57Å; W258-N411 WeakPolarHBondContact O-CA 3.47Å; H259-N411 PolarHBondContact ND1-OD1 3.13Å; A379-N411 PolarHBondContact O-N 2.95Å; Y380-N411 HydrophobicContact CD1-CB 3.76Å; Y380-N411 HydrophobicContact CD2-CB 4.31Å; Y380-N411 HydrophobicContact CE1-CB 3.9Å; Y380-N411 HydrophobicContact CE2-CB 4.41Å; Y380-N411 WeakPolarHBondContact CE2-ND2 3.46Å; Y380-N411 HydrophobicContact CG-CB 3.99Å; Y380-N411 PolarHBondContact OH-ND2 2.86Å; L381-N411 PolarHBondContact N-O 3.31Å; V409-N411 WeakPolarHBondContact CG2-OD1 3.32Å
412	A	95.7	Very high	96	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.025	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	166	170.9	0	0	0	0	0	109.6	W258 L381 L422 F427	W258-A412 PolarHBondContact N-O 2.88Å; W258-A412 PolarHBondContact O-N 3.18Å; L381-A412 HydrophobicContact CB-CB 4.1Å; L381-A412 HydrophobicContact CD2-CB 4.23Å; A412-L422 HydrophobicContact CB-CD2 3.97Å; A412-F427 HydrophobicContact CB-CD1 4.33Å; A412-F427 HydrophobicContact CB-CE1 3.82Å
413	L	93.7	Very high	95.9	Very high	12 Å²	12	32 Å²	32	6%	0.063	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	157.5	163.3	-73.8	161.2	0	0	0	107.9	C255 C256 Y257 L415 N418 L434	C255-L413 HydrophobicContact CB-CB 4.32Å; C255-L413 HydrophobicContact CB-CD2 4.03Å; C256-L413 WeakPolarHBondContact O-CA 3.16Å; C256-L413 WeakPolarHBondContact O-CD2 3.15Å; Y257-L413 HydrophobicContact CD1-CD2 3.54Å; Y257-L413 HydrophobicContact CD1-CG 3.94Å; Y257-L413 HydrophobicContact CD2-CD2 3.98Å; Y257-L413 HydrophobicContact CE1-CD1 4.27Å; Y257-L413 HydrophobicContact CE1-CD2 3.63Å; Y257-L413 HydrophobicContact CE1-CG 3.86Å; Y257-L413 HydrophobicContact CE2-CD2 4.08Å; Y257-L413 HydrophobicContact CG-CD2 3.73Å; L413-L415 HydrophobicContact CB-CD1 4.36Å; L413-L415 HydrophobicContact CB-CD2 3.72Å; L413-L415 HydrophobicContact CB-CG 3.59Å; L413-L415 HydrophobicContact CD1-CD2 3.72Å; L413-L415 HydrophobicContact CG-CD2 4.37Å; L413-L415 PolarHBondContact O-N 2.74Å; L413-N418 WeakPolarHBondContact O-CB 3.3Å; L413-N418 PolarHBondContact O-ND2 3.4Å; L413-L434 HydrophobicContact CD1-CB 4.35Å; L413-L434 HydrophobicContact CD1-CD2 3.65Å; L413-L434 HydrophobicContact CD2-CB 3.91Å
414	D	94.6	Very high	95.9	Very high	30 Å²	30	34.5 Å²	34.5	16%	0.16	19%	0.19	C	C	.	.	S	Bend	trans	-73.1	-2.8	178.1	53	9.8	0	0	0	115.5	C255 C256 L422	C255-D414 WeakPolarHBondContact CA-OD1 3.18Å; C255-D414 WeakPolarHBondContact CB-OD1 3.21Å; C256-D414 WeakPolarHBondContact CB-OD2 3.49Å; C256-D414 PolarHBondContact N-OD1 3.04Å; C256-D414 PolarHBondContact N-OD2 2.96Å; C256-D414 PolarHBondContact O-N 2.96Å; C256-D414 VanDerWaalsContact O-N 3.16Å; D414-L422 HydrophobicContact CB-CD1 4.29Å
415	L	92.7	Very high	95.9	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	173.4	173	53.6	76.3	0	0	0	115.2	L413 N418 Y436 P448	L413-L415 HydrophobicContact CB-CD1 4.36Å; L413-L415 HydrophobicContact CB-CD2 3.72Å; L413-L415 HydrophobicContact CB-CG 3.59Å; L413-L415 HydrophobicContact CD1-CD2 3.72Å; L413-L415 HydrophobicContact CG-CD2 4.37Å; L413-L415 PolarHBondContact O-N 2.74Å; L415-N418 WeakPolarHBondContact O-CB 3.49Å; L415-N418 PolarHBondContact O-N 3.12Å; L415-N418 VanDerWaalsContact O-N 3.07Å; L415-N418 PolarHBondContact O-ND2 3.49Å; L415-Y436 HydrophobicContact CD2-CE2 4.31Å; L415-Y436 WeakPolarHBondContact CD2-OH 3.34Å; L415-P448 VanDerWaalsContact CA-O 3.31Å; L415-P448 WeakPolarHBondContact CA-O 3.28Å
416	M	92.6	Very high	95.8	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.02	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-135.1	-175.5	-57.1	-174.5	-81.2	0	0	113.3	F321 N418 P448 E449 V451 I452	F321-M416 VanDerWaalsContact CE1-CA 3.45Å; F321-M416 HydrophobicContact CE1-CB 4.15Å; F321-M416 HydrophobicContact CZ-CB 3.84Å; F321-M416 HydrophobicContact CZ-CG 4.22Å; M416-N418 VanDerWaalsContact C-N 3.31Å; M416-P448 PolarHBondContact N-O 3.31Å; M416-E449 VanDerWaalsContact O-CA 3.3Å; M416-E449 WeakPolarHBondContact O-CA 3.32Å; M416-V451 PolarHBondContact N-O 2.8Å; M416-I452 HydrophobicContact CG-CB 3.79Å; M416-I452 HydrophobicContact CG-CD1 3.56Å; M416-I452 HydrophobicContact CG-CG1 3.54Å; M416-I452 HydrophobicContact SD-CB 4.4Å; M416-I452 HydrophobicContact SD-CD1 3.32Å; M416-I452 WeakPolarHBondContact SD-CD1 3.44Å; M416-I452 HydrophobicContact SD-CG1 3.49Å; M416-I452 WeakPolarHBondContact SD-CG1 3.49Å
417	D	92.4	Very high	95.8	Very high	28 Å²	28	32.2 Å²	32.2	15%	0.15	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	7.3	170.8	-71.6	-47.2	0	0	0	112.1	H317 K320 S419 K420	H317-D417 IonicContact CE1-OD2 3.79Å; H317-D417 PolarHBondContact CE1-OD2 2.92Å; H317-D417 IonicContact NE2-OD2 2.73Å; K320-D417 IonicContact NZ-OD1 3.49Å; K320-D417 PolarHBondContact NZ-OD1 3.42Å; K320-D417 VanDerWaalsContact NZ-OD1 3.15Å; K320-D417 IonicContact NZ-OD2 3.25Å; K320-D417 PolarHBondContact NZ-OD2 3.19Å; D417-S419 VanDerWaalsContact C-N 3.31Å; D417-S419 PolarHBondContact O-N 3.44Å; D417-K420 HydrophobicContact CB-CD 4.07Å; D417-K420 VanDerWaalsContact O-CB 3.28Å; D417-K420 WeakPolarHBondContact O-CB 3.4Å; D417-K420 WeakPolarHBondContact O-CG 3.18Å; D417-K420 PolarHBondContact O-N 2.9Å; D417-K420 IonicContact OD1-NZ 3.39Å; D417-K420 PolarHBondContact OD1-NZ 3.09Å
418	N	95.3	Very high	95.5	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.011	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-64.5	-34.4	-159.2	-65.7	-12.1	0	0	0	113.6	L413 L415 M416 K420 F421 L422	L413-N418 WeakPolarHBondContact O-CB 3.3Å; L413-N418 PolarHBondContact O-ND2 3.4Å; L415-N418 WeakPolarHBondContact O-CB 3.49Å; L415-N418 PolarHBondContact O-N 3.12Å; L415-N418 VanDerWaalsContact O-N 3.07Å; L415-N418 PolarHBondContact O-ND2 3.49Å; M416-N418 VanDerWaalsContact C-N 3.31Å; N418-K420 PolarHBondContact O-N 2.98Å; N418-F421 VanDerWaalsContact CA-CE1 3.43Å; N418-F421 HydrophobicContact CB-CE1 3.84Å; N418-F421 HydrophobicContact CB-CE2 4.44Å; N418-F421 HydrophobicContact CB-CZ 3.63Å; N418-F421 WeakPolarHBondContact O-CD1 3.43Å; N418-F421 PolarHBondContact O-N 3.44Å; N418-F421 WeakPolarHBondContact OD1-CE1 3.23Å; N418-L422 HydrophobicContact CB-CD1 4.12Å; N418-L422 HydrophobicContact CB-CG 4.44Å; N418-L422 VanDerWaalsContact O-CG 3.3Å; N418-L422 WeakPolarHBondContact O-CG 3.39Å; N418-L422 PolarHBondContact O-N 2.86Å
419	S	94.3	Very high	95.2	Very high	57 Å²	57	36.5 Å²	36.5	40%	0.399	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-49	-24.5	172.5	54.8	0	0	0	0	114.3	D417 F421	D417-S419 VanDerWaalsContact C-N 3.31Å; D417-S419 PolarHBondContact O-N 3.44Å; S419-F421 PolarHBondContact O-N 3.43Å
420	K	95.7	Very high	94.6	Very high	124 Å²	124	37 Å²	37	54%	0.539	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-71.4	-21.8	178.6	-59.9	175.9	-171.5	169.3	0	114.8	N392 D417 N418	N392-K420 PolarHBondContact ND2-O 3.49Å; N392-K420 PolarHBondContact OD1-O 3.31Å; D417-K420 HydrophobicContact CB-CD 4.07Å; D417-K420 VanDerWaalsContact O-CB 3.28Å; D417-K420 WeakPolarHBondContact O-CB 3.4Å; D417-K420 WeakPolarHBondContact O-CG 3.18Å; D417-K420 PolarHBondContact O-N 2.9Å; D417-K420 IonicContact OD1-NZ 3.39Å; D417-K420 PolarHBondContact OD1-NZ 3.09Å; N418-K420 PolarHBondContact O-N 2.98Å
421	F	96.7	Very high	93.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-19.6	-177.7	66	-108.9	0	0	0	114.6	L381 I391 N392 I395 N418 S419 E423 E424 L425 F427	L381-F421 HydrophobicContact CD2-CE1 4.29Å; L381-F421 HydrophobicContact CD2-CE2 4.33Å; L381-F421 HydrophobicContact CD2-CZ 3.49Å; L381-F421 VanDerWaalsContact CD2-CZ 3.49Å; I391-F421 HydrophobicContact CG1-CD1 3.77Å; I391-F421 HydrophobicContact CG1-CE1 4.17Å; N392-F421 HydrophobicContact CB-CB 4.35Å; N392-F421 WeakPolarHBondContact OD1-CB 3.43Å; I395-F421 HydrophobicContact CB-CD2 4.4Å; I395-F421 HydrophobicContact CB-CG 4.44Å; I395-F421 HydrophobicContact CD1-CE1 4.4Å; I395-F421 HydrophobicContact CG1-CD1 3.89Å; I395-F421 HydrophobicContact CG1-CD2 4.47Å; I395-F421 HydrophobicContact CG1-CE1 3.73Å; I395-F421 HydrophobicContact CG1-CE2 4.39Å; I395-F421 HydrophobicContact CG1-CG 4.27Å; I395-F421 HydrophobicContact CG1-CZ 4.04Å; I395-F421 HydrophobicContact CG2-CD2 3.98Å; I395-F421 HydrophobicContact CG2-CE2 3.86Å; I395-F421 HydrophobicContact CG2-CG 4.5Å; I395-F421 HydrophobicContact CG2-CZ 4.24Å; N418-F421 VanDerWaalsContact CA-CE1 3.43Å; N418-F421 HydrophobicContact CB-CE1 3.84Å; N418-F421 HydrophobicContact CB-CE2 4.44Å; N418-F421 HydrophobicContact CB-CZ 3.63Å; N418-F421 WeakPolarHBondContact O-CD1 3.43Å; N418-F421 PolarHBondContact O-N 3.44Å; N418-F421 WeakPolarHBondContact OD1-CE1 3.23Å; S419-F421 PolarHBondContact O-N 3.43Å; F421-E423 PolarHBondContact O-N 3.26Å; F421-E424 PolarHBondContact O-N 2.93Å; F421-L425 HydrophobicContact CB-CD1 3.92Å; F421-L425 HydrophobicContact CB-CG 4.14Å; F421-L425 HydrophobicContact CD2-CD1 3.92Å; F421-L425 HydrophobicContact CG-CD1 4.19Å; F421-L425 VanDerWaalsContact O-CB 3.31Å; F421-L425 WeakPolarHBondContact O-CB 3.45Å; F421-L425 VanDerWaalsContact O-CG 3.32Å; F421-L425 WeakPolarHBondContact O-CG 3.46Å; F421-L425 PolarHBondContact O-N 3.44Å; F421-F427 HydrophobicContact CD2-CE2 4.09Å; F421-F427 HydrophobicContact CE2-CE2 4.02Å; F421-F427 HydrophobicContact CE2-CZ 4.13Å
422	L	97.1	Very high	92.7	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-55.4	-54.2	-168.5	-76.4	166.2	0	0	0	112.8	W258 A412 D414 N418 K426 F427	W258-L422 HydrophobicContact CB-CD1 4.39Å; W258-L422 HydrophobicContact CB-CD2 3.73Å; W258-L422 HydrophobicContact CD2-CB 4.15Å; W258-L422 HydrophobicContact CD2-CD1 3.85Å; W258-L422 HydrophobicContact CD2-CD2 4.26Å; W258-L422 HydrophobicContact CD2-CG 4.3Å; W258-L422 HydrophobicContact CE3-CB 3.88Å; W258-L422 HydrophobicContact CE3-CD1 4.45Å; W258-L422 HydrophobicContact CE3-CD2 4.44Å; W258-L422 HydrophobicContact CE3-CG 4.47Å; W258-L422 HydrophobicContact CG-CD1 3.84Å; W258-L422 HydrophobicContact CG-CD2 4.02Å; W258-L422 HydrophobicContact CG-CG 4.41Å; W258-L422 HydrophobicContact CH2-CB 4.38Å; W258-L422 HydrophobicContact CZ2-CD1 4.45Å; W258-L422 HydrophobicContact CZ3-CB 4Å; A412-L422 HydrophobicContact CB-CD2 3.97Å; D414-L422 HydrophobicContact CB-CD1 4.29Å; N418-L422 HydrophobicContact CB-CD1 4.12Å; N418-L422 HydrophobicContact CB-CG 4.44Å; N418-L422 VanDerWaalsContact O-CG 3.3Å; N418-L422 WeakPolarHBondContact O-CG 3.39Å; N418-L422 PolarHBondContact O-N 2.86Å; L422-K426 PolarHBondContact O-N 3.2Å; L422-F427 HydrophobicContact CB-CB 4.26Å; L422-F427 HydrophobicContact CD2-CB 3.75Å; L422-F427 HydrophobicContact CD2-CD1 3.48Å; L422-F427 VanDerWaalsContact CD2-CD1 3.48Å; L422-F427 HydrophobicContact CD2-CD2 3.84Å; L422-F427 HydrophobicContact CD2-CE1 3.97Å; L422-F427 HydrophobicContact CD2-CE2 4.29Å; L422-F427 HydrophobicContact CD2-CG 3.42Å; L422-F427 VanDerWaalsContact CD2-CG 3.42Å; L422-F427 HydrophobicContact CD2-CZ 4.35Å; L422-F427 WeakPolarHBondContact O-CB 3.48Å; L422-F427 WeakPolarHBondContact O-CD2 3.28Å; L422-F427 PolarHBondContact O-N 3.31Å
423	E	96	Very high	92.4	Very high	154 Å²	154	44 Å²	44	72%	0.72	24%	0.238	S	C	*	.	H	α-helix	trans	-67	-46.7	-179.6	-62.6	-167.7	165	0	0	112.9	W258 F421 L425 K426	W258-E423 HydrophobicContact CH2-CG 3.92Å; W258-E423 HydrophobicContact CZ3-CG 4.08Å; F421-E423 PolarHBondContact O-N 3.26Å; E423-L425 VanDerWaalsContact C-N 3.33Å; E423-L425 PolarHBondContact O-N 2.92Å; E423-K426 WeakPolarHBondContact O-CA 3.26Å; E423-K426 PolarHBondContact O-N 3.35Å
424	E	96.7	Very high	92.2	Very high	119 Å²	119	43.8 Å²	43.8	56%	0.556	24%	0.237	S	C	*	.	H	α-helix	trans	-60.3	-43.2	-178	-172.1	-172.5	104.1	0	0	111.7	N392 F421 K426	N392-E424 WeakPolarHBondContact CB-OE1 3.36Å; N392-E424 PolarHBondContact ND2-OE1 2.89Å; N392-E424 PolarHBondContact ND2-OE2 2.9Å; F421-E424 PolarHBondContact O-N 2.93Å; E424-K426 PolarHBondContact O-N 3.22Å; E424-K426 PolarHBondContact O-NZ 2.84Å
425	L	97.9	Very high	92.1	Very high	12 Å²	12	42.4 Å²	42.4	6%	0.063	23%	0.229	C	C	.	.	H	α-helix	trans	-76.1	-4.7	177	-60.1	-170	0	0	0	113.3	R260 N392 I395 F396 L399 F421 E423 F427	R260-L425 VanDerWaalsContact CD-O 3.26Å; R260-L425 WeakPolarHBondContact CD-O 3.47Å; R260-L425 PolarHBondContact NE-O 3.16Å; N392-L425 WeakPolarHBondContact O-CD1 3.4Å; I395-L425 HydrophobicContact CB-CD1 3.72Å; I395-L425 HydrophobicContact CG2-CD1 3.61Å; F396-L425 HydrophobicContact CB-CD2 3.99Å; F396-L425 HydrophobicContact CD2-CD2 4.12Å; L399-L425 HydrophobicContact CD1-CB 4.25Å; L399-L425 HydrophobicContact CD1-CD1 4.25Å; F421-L425 HydrophobicContact CB-CD1 3.92Å; F421-L425 HydrophobicContact CB-CG 4.14Å; F421-L425 HydrophobicContact CD2-CD1 3.92Å; F421-L425 HydrophobicContact CG-CD1 4.19Å; F421-L425 VanDerWaalsContact O-CB 3.31Å; F421-L425 WeakPolarHBondContact O-CB 3.45Å; F421-L425 VanDerWaalsContact O-CG 3.32Å; F421-L425 WeakPolarHBondContact O-CG 3.46Å; F421-L425 PolarHBondContact O-N 3.44Å; E423-L425 VanDerWaalsContact C-N 3.33Å; E423-L425 PolarHBondContact O-N 2.92Å; L425-F427 HydrophobicContact CB-CD2 4.05Å; L425-F427 HydrophobicContact CB-CE2 3.99Å; L425-F427 HydrophobicContact CD1-CE2 4.48Å
426	K	96.7	Very high	92.1	Very high	97 Å²	97	42.3 Å²	42.3	42%	0.422	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	39.2	176.3	-53.3	147.5	-168.3	63.1	0	113.9	R260 L287 Y288 L422 E423 E424	R260-K426 WeakPolarHBondContact CD-O 3.3Å; L287-K426 HydrophobicContact CD1-CD 4.28Å; Y288-K426 HydrophobicContact CD1-CB 4.31Å; Y288-K426 HydrophobicContact CE1-CB 4.04Å; L422-K426 PolarHBondContact O-N 3.2Å; E423-K426 WeakPolarHBondContact O-CA 3.26Å; E423-K426 PolarHBondContact O-N 3.35Å; E424-K426 PolarHBondContact O-N 3.22Å; E424-K426 PolarHBondContact O-NZ 2.84Å
427	F	96.3	Very high	92.2	Very high	12 Å²	12	42.1 Å²	42.1	5%	0.053	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-68.8	144.3	159.1	-69.2	-113.1	0	0	0	108.7	W258 H259 R260 L399 F410 A412 F421 L422 L425	W258-F427 HydrophobicContact CB-CB 4.17Å; W258-F427 HydrophobicContact CB-CD1 4.15Å; W258-F427 HydrophobicContact CE3-CB 3.81Å; H259-F427 CarbonylContact O-C 3.52Å; H259-F427 WeakPolarHBondContact O-CA 3.34Å; R260-F427 HydrophobicContact CB-CD1 3.57Å; R260-F427 HydrophobicContact CB-CD2 3.95Å; R260-F427 HydrophobicContact CB-CE1 3.62Å; R260-F427 HydrophobicContact CB-CE2 4Å; R260-F427 HydrophobicContact CB-CG 3.73Å; R260-F427 HydrophobicContact CB-CZ 3.84Å; R260-F427 HydrophobicContact CG-CD2 4.19Å; R260-F427 HydrophobicContact CG-CE2 4.12Å; R260-F427 HydrophobicContact CG-CG 4.44Å; R260-F427 HydrophobicContact CG-CZ 4.3Å; L399-F427 HydrophobicContact CD1-CE2 4.17Å; L399-F427 HydrophobicContact CD2-CE2 4.43Å; L399-F427 HydrophobicContact CD2-CZ 4.07Å; F410-F427 AromaticContact CD1-CE1 3.98Å; F410-F427 HydrophobicContact CD1-CE1 3.98Å; F410-F427 AromaticContact CD1-CZ 3.82Å; F410-F427 HydrophobicContact CD1-CZ 3.82Å; F410-F427 HydrophobicContact CE1-CZ 4.31Å; A412-F427 HydrophobicContact CB-CD1 4.33Å; A412-F427 HydrophobicContact CB-CE1 3.82Å; F421-F427 HydrophobicContact CD2-CE2 4.09Å; F421-F427 HydrophobicContact CE2-CE2 4.02Å; F421-F427 HydrophobicContact CE2-CZ 4.13Å; L422-F427 HydrophobicContact CB-CB 4.26Å; L422-F427 HydrophobicContact CD2-CB 3.75Å; L422-F427 HydrophobicContact CD2-CD1 3.48Å; L422-F427 VanDerWaalsContact CD2-CD1 3.48Å; L422-F427 HydrophobicContact CD2-CD2 3.84Å; L422-F427 HydrophobicContact CD2-CE1 3.97Å; L422-F427 HydrophobicContact CD2-CE2 4.29Å; L422-F427 HydrophobicContact CD2-CG 3.42Å; L422-F427 VanDerWaalsContact CD2-CG 3.42Å; L422-F427 HydrophobicContact CD2-CZ 4.35Å; L422-F427 WeakPolarHBondContact O-CB 3.48Å; L422-F427 WeakPolarHBondContact O-CD2 3.28Å; L422-F427 PolarHBondContact O-N 3.31Å; L425-F427 HydrophobicContact CB-CD2 4.05Å; L425-F427 HydrophobicContact CB-CE2 3.99Å; L425-F427 HydrophobicContact CD1-CE2 4.48Å
428	G	93	Very high	92.3	Very high	33 Å²	33	41 Å²	41	34%	0.34	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	143.9	168.1	0	0	0	0	0	110.9	W258 H259	W258-G428 CarbonylContact C-O 3.47Å; W258-G428 WeakPolarHBondContact CA-O 3.33Å; H259-G428 PolarHBondContact N-O 2.87Å; H259-G428 PolarHBondContact O-N 3.22Å
429	V	90.2	Very high	92.4	Very high	73 Å²	73	42 Å²	42	44%	0.442	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	132.6	173.4	-164.7	0	0	0	0	109.8	W258	W258-V429 HydrophobicContact CD2-CG2 4.22Å; W258-V429 HydrophobicContact CE3-CG2 4.03Å; W258-V429 HydrophobicContact CH2-CG2 3.59Å; W258-V429 HydrophobicContact CZ2-CG2 3.74Å; W258-V429 HydrophobicContact CZ3-CG2 3.72Å
430	G	84.6	Confident	92.5	Very high	10 Å²	10	39.5 Å²	39.5	10%	0.103	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-178.3	169.5	0	0	0	0	0	112.7	Y257	Y257-G430 WeakPolarHBondContact O-CA 3.27Å; Y257-G430 PolarHBondContact O-N 3.06Å
431	D	75.6	Confident	92.5	Very high	96 Å²	96	33.6 Å²	33.6	51%	0.513	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-40.5	169.5	35.5	31.4	0	0	0	111.4	H433	D431-H433 PolarHBondContact O-ND1 3.29Å
432	G	79.7	Confident	92.4	Very high	28 Å²	28	35.5 Å²	35.5	29%	0.289	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	139.7	176.7	0	0	0	0	0	114	Y257	Y257-G432 PolarHBondContact N-O 3.37Å
433	H	88	Confident	92.3	Very high	30 Å²	30	35.8 Å²	35.8	14%	0.139	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.8	171.5	-71.5	63.7	0	0	0	109.5	G245 C255 C256 D431	G245-H433 WeakPolarHBondContact CA-O 3.31Å; C255-H433 CarbonylContact O-C 3.54Å; C255-H433 VanDerWaalsContact O-CA 3.27Å; C255-H433 WeakPolarHBondContact O-CA 3.37Å; C256-H433 VanDerWaalsContact SG-CE1 3.58Å; D431-H433 PolarHBondContact O-ND1 3.29Å
434	L	90.1	Very high	92.3	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	110.9	172.9	-164.1	65.1	0	0	0	109.8	T243 C255 Y257 L413 Y436 A456	T243-L434 HydrophobicContact CG2-CD2 4.05Å; T243-L434 HydrophobicContact CG2-CG 4.18Å; C255-L434 PolarHBondContact N-O 3.13Å; C255-L434 PolarHBondContact O-N 3.07Å; Y257-L434 HydrophobicContact CE2-CB 4.01Å; L413-L434 HydrophobicContact CD1-CB 4.35Å; L413-L434 HydrophobicContact CD1-CD2 3.65Å; L413-L434 HydrophobicContact CD2-CB 3.91Å; L434-Y436 HydrophobicContact CB-CE2 4.48Å; L434-Y436 HydrophobicContact CD2-CE2 4.27Å; L434-Y436 HydrophobicContact CG-CE2 4.34Å; L434-A456 HydrophobicContact CD2-CB 4.4Å
435	Q	92.2	Very high	92.1	Very high	2 Å²	2	29 Å²	29	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	133.2	176.4	-55.5	-60.1	-39.6	0	0	109.5	N64 T243 A244 V247 P251 S254 Y437	N64-Q435 PolarHBondContact OD1-NE2 2.94Å; T243-Q435 CarbonylContact C-O 3.55Å; T243-Q435 VanDerWaalsContact CA-O 3.24Å; T243-Q435 WeakPolarHBondContact CA-O 3.25Å; A244-Q435 PolarHBondContact N-O 2.93Å; A244-Q435 WeakPolarHBondContact O-CB 3.42Å; A244-Q435 PolarHBondContact O-N 2.93Å; V247-Q435 HydrophobicContact CG2-CG 4.13Å; P251-Q435 HydrophobicContact CB-CB 4.3Å; P251-Q435 HydrophobicContact CG-CB 4.24Å; P251-Q435 HydrophobicContact CG-CG 4.46Å; P251-Q435 VanDerWaalsContact CG-OE1 3.31Å; S254-Q435 VanDerWaalsContact CB-OE1 3.24Å; S254-Q435 PolarHBondContact OG-NE2 3.14Å; S254-Q435 PolarHBondContact OG-OE1 3.25Å; Q435-Y437 HydrophobicContact CB-CD2 4.47Å; Q435-Y437 HydrophobicContact CB-CE2 3.49Å; Q435-Y437 VanDerWaalsContact CB-CE2 3.49Å; Q435-Y437 VanDerWaalsContact CB-OH 3.28Å; Q435-Y437 WeakPolarHBondContact CB-OH 3.38Å; Q435-Y437 WeakPolarHBondContact O-CE2 3.41Å
436	Y	93.4	Very high	91.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.2	178.6	-76.8	-94.5	0	0	0	110.9	T243 P251 V252 S253 C255 L323 L415 L434 V451 K453	T243-Y436 HydrophobicContact CG2-CD1 3.64Å; T243-Y436 HydrophobicContact CG2-CE1 3.47Å; T243-Y436 VanDerWaalsContact CG2-CE1 3.47Å; T243-Y436 HydrophobicContact CG2-CG 4.23Å; P251-Y436 CarbonylContact C-O 3.57Å; P251-Y436 WeakPolarHBondContact CA-O 3.33Å; V252-Y436 PolarHBondContact N-O 2.86Å; S253-Y436 PolarHBondContact O-N 2.96Å; C255-Y436 HydrophobicContact CB-CE2 4.09Å; C255-Y436 VanDerWaalsContact SG-CE2 3.51Å; L323-Y436 HydrophobicContact CD2-CD1 4.37Å; L415-Y436 HydrophobicContact CD2-CE2 4.31Å; L415-Y436 WeakPolarHBondContact CD2-OH 3.34Å; L434-Y436 HydrophobicContact CB-CE2 4.48Å; L434-Y436 HydrophobicContact CD2-CE2 4.27Å; L434-Y436 HydrophobicContact CG-CE2 4.34Å; Y436-V451 HydrophobicContact CD1-CG1 3.88Å; Y436-V451 HydrophobicContact CD2-CG1 4.31Å; Y436-V451 HydrophobicContact CE1-CG1 3.88Å; Y436-V451 HydrophobicContact CE2-CG1 4.31Å; Y436-V451 HydrophobicContact CG-CG1 4.11Å; Y436-K453 HydrophobicContact CE1-CB 4.1Å; Y436-K453 WeakPolarHBondContact CE1-O 3.34Å; Y436-K453 PolarHBondContact OH-O 3.38Å
437	Y	94.4	Very high	91.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.9	-176.9	-57.9	-83.6	0	0	0	112.6	V241 Y242 A244 V246 V247 L248 R250 P251 Q435	V241-Y437 WeakPolarHBondContact CA-O 3.22Å; Y242-Y437 AromaticContact CD2-CD2 3.63Å; Y242-Y437 HydrophobicContact CD2-CD2 3.63Å; Y242-Y437 AromaticContact CD2-CG 3.96Å; Y242-Y437 HydrophobicContact CD2-CG 3.96Å; Y242-Y437 VanDerWaalsContact CE1-CB 3.46Å; Y242-Y437 HydrophobicContact CE1-CG 4.36Å; Y242-Y437 HydrophobicContact CE2-CD1 4.23Å; Y242-Y437 AromaticContact CE2-CD2 3.42Å; Y242-Y437 HydrophobicContact CE2-CD2 3.42Å; Y242-Y437 VanDerWaalsContact CE2-CD2 3.42Å; Y242-Y437 HydrophobicContact CE2-CE2 4.24Å; Y242-Y437 AromaticContact CE2-CG 3.42Å; Y242-Y437 HydrophobicContact CE2-CG 3.42Å; Y242-Y437 VanDerWaalsContact CE2-CG 3.42Å; Y242-Y437 AromaticContact CZ-CG 3.65Å; Y242-Y437 PolarHBondContact N-O 3.45Å; Y242-Y437 VanDerWaalsContact N-O 3.09Å; Y242-Y437 PolarHBondContact O-N 3.12Å; A244-Y437 HydrophobicContact CB-CE2 3.97Å; V246-Y437 PolarHBondContact O-OH 3.37Å; V247-Y437 WeakPolarHBondContact CA-OH 3.26Å; L248-Y437 HydrophobicContact CB-CE1 3.81Å; L248-Y437 HydrophobicContact CD1-CE2 4.44Å; L248-Y437 PolarHBondContact N-OH 3.35Å; L248-Y437 WeakPolarHBondContact O-CE1 3.21Å; R250-Y437 WeakPolarHBondContact O-CD1 3.25Å; P251-Y437 HydrophobicContact CB-CD1 4.46Å; P251-Y437 HydrophobicContact CB-CE1 4Å; P251-Y437 HydrophobicContact CG-CE1 3.68Å; Q435-Y437 HydrophobicContact CB-CD2 4.47Å; Q435-Y437 HydrophobicContact CB-CE2 3.49Å; Q435-Y437 VanDerWaalsContact CB-CE2 3.49Å; Q435-Y437 VanDerWaalsContact CB-OH 3.28Å; Q435-Y437 WeakPolarHBondContact CB-OH 3.38Å; Q435-Y437 WeakPolarHBondContact O-CE2 3.41Å
438	L	95.6	Very high	91.6	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.7	166.5	-58.3	174.6	0	0	0	109.5	V196 M203 A240 V241 V252 L323 W441	V196-L438 HydrophobicContact CG1-CD1 3.95Å; V196-L438 HydrophobicContact CG2-CD1 3.97Å; M203-L438 HydrophobicContact SD-CD2 4.41Å; A240-L438 CarbonylContact O-C 3.6Å; A240-L438 WeakPolarHBondContact O-CA 3.45Å; V241-L438 HydrophobicContact CB-CD2 3.8Å; V241-L438 HydrophobicContact CG2-CD2 3.91Å; V252-L438 HydrophobicContact CG1-CD1 4.23Å; V252-L438 HydrophobicContact CG1-CG 4.23Å; V252-L438 HydrophobicContact CG2-CG 4.36Å; L323-L438 HydrophobicContact CD1-CD2 4.22Å; L438-W441 HydrophobicContact CB-CB 3.98Å; L438-W441 HydrophobicContact CD1-CB 4.28Å; L438-W441 HydrophobicContact CD1-CG 4.22Å
439	Y	96.1	Very high	91.6	Very high	22 Å²	22	30.8 Å²	30.8	9%	0.086	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.3	173	-177.7	-90.1	0	0	0	109.9	Q82 P83 V84 T229 Q239 A240 W441	Q82-Y439 HydrophobicContact CB-CE2 4.27Å; P83-Y439 WeakPolarHBondContact CD-OH 3.25Å; P83-Y439 HydrophobicContact CG-CD1 4.44Å; P83-Y439 HydrophobicContact CG-CE1 3.79Å; P83-Y439 HydrophobicContact CG-CE2 3.92Å; P83-Y439 VanDerWaalsContact CG-CZ 3.48Å; V84-Y439 HydrophobicContact CG1-CD2 4.29Å; T229-Y439 HydrophobicContact CG2-CE1 3.92Å; T229-Y439 WeakPolarHBondContact CG2-OH 3.44Å; Q239-Y439 WeakPolarHBondContact CA-O 3.49Å; A240-Y439 PolarHBondContact N-O 2.64Å; A240-Y439 PolarHBondContact O-N 2.68Å; Y439-W441 PolarHBondContact O-N 2.94Å
440	N	97.1	Very high	91.8	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.027	17%	0.167	C	C	.	.	S	Bend	trans	54.3	26.9	-176.5	-166	32.6	0	0	0	114.7	P83 P96 L97 Q98 F238 Q239	P83-N440 HydrophobicContact CB-CB 4.17Å; P83-N440 HydrophobicContact CG-CB 3.95Å; P83-N440 VanDerWaalsContact O-CA 3.25Å; P83-N440 WeakPolarHBondContact O-CA 3.35Å; P83-N440 PolarHBondContact O-N 3.08Å; P96-N440 WeakPolarHBondContact CA-O 3.34Å; L97-N440 PolarHBondContact N-O 3Å; L97-N440 PolarHBondContact N-OD1 2.89Å; Q98-N440 PolarHBondContact N-OD1 2.89Å; Q98-N440 PolarHBondContact O-ND2 2.83Å; Q98-N440 PolarHBondContact O-OD1 2.88Å; F238-N440 WeakPolarHBondContact O-CB 3.24Å; F238-N440 PolarHBondContact O-ND2 3.08Å; Q239-N440 PolarHBondContact NE2-ND2 2.69Å
441	W	95.7	Very high	92	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	129	172	-165.7	-92.3	0	0	0	108.6	S94 P96 R199 M201 Q239 L438 Y439	S94-W441 VanDerWaalsContact O-CZ2 3.24Å; S94-W441 WeakPolarHBondContact O-CZ2 3.49Å; S94-W441 WeakPolarHBondContact OG-CZ2 3.48Å; S94-W441 PolarHBondContact OG-NE1 3.38Å; P96-W441 HydrophobicContact CB-CE3 4.49Å; P96-W441 HydrophobicContact CB-CZ3 4.49Å; P96-W441 VanDerWaalsContact CD-CZ3 3.41Å; P96-W441 HydrophobicContact CG-CE3 4.08Å; P96-W441 HydrophobicContact CG-CZ3 3.63Å; R199-W441 VanDerWaalsContact CD-CH2 3.46Å; M201-W441 HydrophobicContact CE-CD2 3.68Å; M201-W441 HydrophobicContact CE-CE3 3.81Å; M201-W441 HydrophobicContact CE-CG 4.34Å; M201-W441 HydrophobicContact CE-CH2 3.98Å; M201-W441 HydrophobicContact CE-CZ2 3.82Å; M201-W441 HydrophobicContact CE-CZ3 3.95Å; M201-W441 HydrophobicContact SD-CD2 4.15Å; M201-W441 HydrophobicContact SD-CE3 3.63Å; M201-W441 HydrophobicContact SD-CH2 3.6Å; M201-W441 HydrophobicContact SD-CZ2 4.08Å; M201-W441 HydrophobicContact SD-CZ3 3.32Å; M201-W441 WeakPolarHBondContact SD-CZ3 3.28Å; Q239-W441 HydrophobicContact CG-CB 4.46Å; Q239-W441 HydrophobicContact CG-CE3 4.18Å; L438-W441 HydrophobicContact CB-CB 3.98Å; L438-W441 HydrophobicContact CD1-CB 4.28Å; L438-W441 HydrophobicContact CD1-CG 4.22Å; Y439-W441 PolarHBondContact O-N 2.94Å
442	K	94.7	Very high	92.1	Very high	39 Å²	39	25.7 Å²	25.7	17%	0.17	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	139.8	166.7	63.8	174.8	179.4	172.8	0	108	P85 V91 K93 S94 E95 L97	P85-K442 HydrophobicContact CG-CB 3.92Å; V91-K442 HydrophobicContact CG1-CB 3.77Å; V91-K442 HydrophobicContact CG1-CD 4.14Å; V91-K442 HydrophobicContact CG1-CG 4.01Å; V91-K442 HydrophobicContact CG2-CB 4.27Å; K93-K442 CarbonylContact O-C 3.57Å; K93-K442 VanDerWaalsContact O-O 3.1Å; S94-K442 CarbonylContact C-O 3.59Å; S94-K442 VanDerWaalsContact CA-O 3.29Å; S94-K442 WeakPolarHBondContact CA-O 3.49Å; E95-K442 HydrophobicContact CG-CD 4.41Å; E95-K442 HydrophobicContact CG-CG 4.19Å; E95-K442 PolarHBondContact N-O 3.29Å; E95-K442 WeakPolarHBondContact O-CG 3.18Å; E95-K442 PolarHBondContact O-N 3.1Å; E95-K442 WeakPolarHBondContact OE1-CE 3.24Å; E95-K442 IonicContact OE1-NZ 3.5Å; E95-K442 PolarHBondContact OE1-NZ 3.38Å; L97-K442 HydrophobicContact CD1-CB 4.1Å; L97-K442 HydrophobicContact CD2-CB 4.06Å; L97-K442 HydrophobicContact CD2-CD 3.81Å; L97-K442 HydrophobicContact CD2-CG 4.09Å; L97-K442 HydrophobicContact CG-CB 3.94Å; L97-K442 HydrophobicContact CG-CD 4.37Å; L97-K442 HydrophobicContact CG-CG 4.1Å
443	C	94.9	Very high	91.4	Very high	7 Å²	7	24.6 Å²	24.6	5%	0.047	13%	0.125	C	C	.	.			trans	-148.8	163.4	167.6	68.7	0	0	0	0	109.2	V91 K93 V196 Y197	V91-C443 WeakPolarHBondContact CG1-O 3.34Å; K93-C443 WeakPolarHBondContact O-CA 3.27Å; V196-C443 HydrophobicContact CG1-CB 4.13Å; Y197-C443 HydrophobicContact CD2-CB 4.23Å; Y197-C443 HydrophobicContact CE2-CB 3.87Å
444	P	94.5	Very high	89.5	Confident	39 Å²	39	23.4 Å²	23.4	25%	0.253	12%	0.121	S	C	.	.			trans	-55.8	159.3	168.4	-22.1	31.8	0	0	0	112	Y197	Y197-P444 HydrophobicContact CE2-CG 4.46Å; Y197-P444 PolarHBondContact OH-O 3.23Å
445	E	93	Very high	87.6	Confident	91 Å²	91	24 Å²	24	43%	0.425	12%	0.122	S	C	.	.			trans	-71.1	152.1	174.9	-78.1	176.2	157.3	0	0	111.9	W68 Y197 R250 V252	W68-E445 WeakPolarHBondContact CH2-OE1 3.27Å; Y197-E445 PolarHBondContact OH-O 3.23Å; R250-E445 IonicContact CZ-OE1 3.54Å; R250-E445 IonicContact CZ-OE2 3.47Å; R250-E445 IonicContact NE-OE1 2.67Å; R250-E445 PolarHBondContact NE-OE1 3.2Å; R250-E445 IonicContact NH2-OE1 2.81Å; R250-E445 PolarHBondContact NH2-OE1 3.06Å; R250-E445 IonicContact NH2-OE2 3.22Å; R250-E445 PolarHBondContact NH2-OE2 2.81Å; V252-E445 WeakPolarHBondContact O-CA 3.16Å
446	M	93.2	Very high	85	Confident	7 Å²	7	24.6 Å²	24.6	3%	0.034	13%	0.128	C	C	.	.			trans	-121.6	134.7	-179.8	-59.6	172.4	-169.9	0	0	109.5	V196 Y197 V252 S253 D322 L323 K450 V451	V196-M446 HydrophobicContact CG1-CE 4.01Å; Y197-M446 HydrophobicContact CD2-CE 3.76Å; Y197-M446 HydrophobicContact CE1-CE 4.21Å; Y197-M446 HydrophobicContact CE1-CG 4.48Å; Y197-M446 HydrophobicContact CE2-CE 3.33Å; Y197-M446 HydrophobicContact CG-CE 4.36Å; Y197-M446 WeakPolarHBondContact OH-CG 3.47Å; V252-M446 PolarHBondContact O-N 3.33Å; S253-M446 VanDerWaalsContact CB-O 3.23Å; S253-M446 WeakPolarHBondContact CB-O 3.3Å; S253-M446 PolarHBondContact OG-O 3.29Å; D322-M446 HydrophobicContact CB-CE 3.85Å; D322-M446 HydrophobicContact CB-CG 4.18Å; D322-M446 HydrophobicContact CB-SD 3.7Å; D322-M446 WeakPolarHBondContact O-CE 3.16Å; L323-M446 HydrophobicContact CB-CE 4.09Å; L323-M446 HydrophobicContact CB-SD 3.51Å; L323-M446 VanDerWaalsContact CB-SD 3.51Å; M446-K450 HydrophobicContact CB-CB 4.19Å; M446-V451 HydrophobicContact CB-CG2 4.05Å; M446-V451 HydrophobicContact SD-CG2 4.22Å
447	P	94.2	Very high	84.6	Confident	71 Å²	71	25.9 Å²	25.9	46%	0.461	14%	0.135	S	C	.	.			trans	-67.3	159.1	168.4	33.2	-36.9	0	0	0	110.1	E449 K450	P447-E449 PolarHBondContact O-N 3.49Å; P447-E449 VanDerWaalsContact O-N 3.14Å; P447-K450 HydrophobicContact CG-CB 4.23Å; P447-K450 HydrophobicContact CG-CG 3.95Å; P447-K450 PolarHBondContact O-N 3.26Å
448	P	93.1	Very high	84.1	Confident	26 Å²	26	27.2 Å²	27.2	17%	0.169	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-52.8	-37.9	-176.7	-28.4	36.9	0	0	0	113.4	L415 M416 K450 V451	L415-P448 VanDerWaalsContact CA-O 3.31Å; L415-P448 WeakPolarHBondContact CA-O 3.28Å; M416-P448 PolarHBondContact N-O 3.31Å; P448-K450 PolarHBondContact O-N 3.3Å; P448-V451 PolarHBondContact O-N 3.48Å
449	E	93.7	Very high	83.4	Confident	89 Å²	89	28.5 Å²	28.5	42%	0.416	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-68.4	-0.5	179.2	-51.4	88.3	160.6	0	0	113.8	F321 M416 P447	F321-E449 WeakPolarHBondContact CD1-O 3.15Å; F321-E449 VanDerWaalsContact CE1-O 3.25Å; F321-E449 WeakPolarHBondContact CE1-O 3.24Å; M416-E449 VanDerWaalsContact O-CA 3.3Å; M416-E449 WeakPolarHBondContact O-CA 3.32Å; P447-E449 PolarHBondContact O-N 3.49Å; P447-E449 VanDerWaalsContact O-N 3.14Å
450	K	94.1	Very high	82.7	Confident	70 Å²	70	28.9 Å²	28.9	30%	0.304	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-111.6	3.8	171.7	-69.6	-50.3	-145.7	104.2	0	114.3	K320 D322 L323 M446 P447 P448	K320-K450 PolarHBondContact O-NZ 3.03Å; D322-K450 HydrophobicContact CB-CB 4.25Å; D322-K450 PolarHBondContact N-O 3.03Å; D322-K450 IonicContact OD1-NZ 3.57Å; D322-K450 PolarHBondContact OD1-NZ 3.11Å; D322-K450 WeakPolarHBondContact OD2-CB 3.48Å; D322-K450 WeakPolarHBondContact OD2-CD 3.32Å; D322-K450 WeakPolarHBondContact OD2-CE 3.2Å; D322-K450 VanDerWaalsContact OD2-CG 3.25Å; D322-K450 WeakPolarHBondContact OD2-CG 3.34Å; D322-K450 IonicContact OD2-NZ 3.6Å; D322-K450 PolarHBondContact OD2-NZ 3.33Å; L323-K450 PolarHBondContact N-O 3.13Å; L323-K450 VanDerWaalsContact N-O 3.11Å; M446-K450 HydrophobicContact CB-CB 4.19Å; P447-K450 HydrophobicContact CG-CB 4.23Å; P447-K450 HydrophobicContact CG-CG 3.95Å; P447-K450 PolarHBondContact O-N 3.26Å; P448-K450 PolarHBondContact O-N 3.3Å
451	V	89.3	Confident	81.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-111.7	143.4	175.3	180	0	0	0	0	110.9	S253 L323 M416 Y436 M446 P448	S253-V451 VanDerWaalsContact CB-CG2 3.49Å; L323-V451 HydrophobicContact CB-CG1 4.38Å; L323-V451 HydrophobicContact CB-CG2 4.2Å; L323-V451 HydrophobicContact CD2-CG1 4.07Å; L323-V451 HydrophobicContact CD2-CG2 4.44Å; L323-V451 HydrophobicContact CG-CG1 4.44Å; M416-V451 PolarHBondContact N-O 2.8Å; Y436-V451 HydrophobicContact CD1-CG1 3.88Å; Y436-V451 HydrophobicContact CD2-CG1 4.31Å; Y436-V451 HydrophobicContact CE1-CG1 3.88Å; Y436-V451 HydrophobicContact CE2-CG1 4.31Å; Y436-V451 HydrophobicContact CG-CG1 4.11Å; M446-V451 HydrophobicContact CB-CG2 4.05Å; M446-V451 HydrophobicContact SD-CG2 4.22Å; P448-V451 PolarHBondContact O-N 3.48Å
452	I	76.8	Confident	80.8	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.17	C	C	.	.			trans	-146.4	66.3	-177.9	-178.3	155.2	0	0	0	111.5	L318 F321 L323 A324 P325 Y383 M416	L318-I452 HydrophobicContact CD2-CD1 3.23Å; L318-I452 HydrophobicContact CD2-CG1 3.71Å; L318-I452 HydrophobicContact CD2-CG2 4.19Å; F321-I452 HydrophobicContact CB-CB 4.31Å; F321-I452 HydrophobicContact CB-CG2 3.53Å; F321-I452 HydrophobicContact CD2-CB 3.94Å; F321-I452 HydrophobicContact CD2-CD1 3.53Å; F321-I452 HydrophobicContact CD2-CG1 4.33Å; F321-I452 HydrophobicContact CD2-CG2 3.65Å; F321-I452 HydrophobicContact CE2-CB 4.35Å; F321-I452 HydrophobicContact CE2-CD1 3.29Å; F321-I452 HydrophobicContact CE2-CG1 4.4Å; F321-I452 HydrophobicContact CE2-CG2 4.49Å; F321-I452 HydrophobicContact CG-CB 4.03Å; F321-I452 HydrophobicContact CG-CD1 4.42Å; F321-I452 HydrophobicContact CG-CG2 3.7Å; F321-I452 HydrophobicContact CZ-CD1 4.05Å; L323-I452 WeakPolarHBondContact O-CG2 3.41Å; L323-I452 PolarHBondContact O-N 3.49Å; A324-I452 HydrophobicContact CB-CG2 3.33Å; P325-I452 WeakPolarHBondContact CD-O 3.23Å; Y383-I452 HydrophobicContact CD1-CD1 4.21Å; Y383-I452 HydrophobicContact CD1-CG1 3.93Å; Y383-I452 HydrophobicContact CE1-CD1 4.43Å; Y383-I452 HydrophobicContact CE1-CG1 3.71Å; M416-I452 HydrophobicContact CG-CB 3.79Å; M416-I452 HydrophobicContact CG-CD1 3.56Å; M416-I452 HydrophobicContact CG-CG1 3.54Å; M416-I452 HydrophobicContact SD-CB 4.4Å; M416-I452 HydrophobicContact SD-CD1 3.32Å; M416-I452 WeakPolarHBondContact SD-CD1 3.44Å; M416-I452 HydrophobicContact SD-CG1 3.49Å; M416-I452 WeakPolarHBondContact SD-CG1 3.49Å
453	K	65.3	Low	79.9	Confident	6 Å²	6	31.9 Å²	31.9	3%	0.026	17%	0.17	C	C	.	.			trans	-143.6	93.4	175.6	-178.5	169.5	179.3	135.1	0	112.5	I194 E205 V241 Y436 Y455	I194-K453 HydrophobicContact CD1-CD 4.35Å; E205-K453 WeakPolarHBondContact OE1-CE 3.17Å; E205-K453 IonicContact OE1-NZ 2.73Å; E205-K453 PolarHBondContact OE1-NZ 3.03Å; E205-K453 WeakPolarHBondContact OE2-CE 3.21Å; E205-K453 IonicContact OE2-NZ 2.83Å; E205-K453 PolarHBondContact OE2-NZ 2.74Å; V241-K453 HydrophobicContact CG1-CD 4.24Å; V241-K453 VanDerWaalsContact CG1-NZ 3.3Å; V241-K453 HydrophobicContact CG2-CD 4.06Å; Y436-K453 HydrophobicContact CE1-CB 4.1Å; Y436-K453 WeakPolarHBondContact CE1-O 3.34Å; Y436-K453 PolarHBondContact OH-O 3.38Å; K453-Y455 PolarHBondContact O-N 3.04Å
454	A	47.4	Very low	78.7	Confident	5 Å²	5	33.8 Å²	33.8	4%	0.041	18%	0.18	C	C	.	.			trans	-97.5	80.4	-177.6	0	0	0	0	0	113.1	F382	F382-A454 HydrophobicContact CD2-CB 4.4Å; F382-A454 WeakPolarHBondContact CD2-O 3.32Å; F382-A454 WeakPolarHBondContact CE2-O 3.34Å
455	Y	50.5	Low	77.4	Confident	18 Å²	18	33.3 Å²	33.3	7%	0.071	17%	0.174	C	C	.	.			trans	-130	142	158.9	-62	-69.9	0	0	0	109.8	W160 E205 T243 W335 F382 K453	W160-Y455 HydrophobicContact CH2-CE1 4.48Å; E205-Y455 WeakPolarHBondContact OE1-CD2 3.32Å; T243-Y455 PolarHBondContact OG1-O 3.38Å; W335-Y455 HydrophobicContact CE3-CE1 4.17Å; W335-Y455 AromaticContact CE3-CZ 3.97Å; W335-Y455 HydrophobicContact CH2-CE1 4.29Å; W335-Y455 AromaticContact CH2-CZ 3.96Å; W335-Y455 WeakPolarHBondContact CZ2-OH 3.34Å; W335-Y455 AromaticContact CZ3-CE1 3.95Å; W335-Y455 HydrophobicContact CZ3-CE1 3.95Å; W335-Y455 AromaticContact CZ3-CZ 3.92Å; W335-Y455 WeakPolarHBondContact CZ3-OH 3.48Å; F382-Y455 HydrophobicContact CD2-CE1 4.5Å; F382-Y455 AromaticContact CE2-CD1 3.91Å; F382-Y455 HydrophobicContact CE2-CD1 3.91Å; F382-Y455 AromaticContact CE2-CE1 3.33Å; F382-Y455 HydrophobicContact CE2-CE1 3.33Å; F382-Y455 HydrophobicContact CE2-CE2 4.4Å; F382-Y455 AromaticContact CE2-CZ 3.62Å; F382-Y455 AromaticContact CZ-CE1 3.62Å; F382-Y455 HydrophobicContact CZ-CE1 3.62Å; F382-Y455 AromaticContact CZ-CZ 3.66Å; F382-Y455 WeakPolarHBondContact CZ-OH 2.88Å; K453-Y455 PolarHBondContact O-N 3.04Å
456	A	38	Very low	76	Confident	16 Å²	16	28.1 Å²	28.1	13%	0.132	15%	0.151	C	C	.	.			trans	-143.4	0	179.1	0	0	0	0	0	109.5	Y153 N207 Y257 L434	Y153-A456 WeakPolarHBondContact CE1-O 3.47Å; Y153-A456 PolarHBondContact OH-O 3.21Å; Y153-A456 PolarHBondContact OH-OXT 3.45Å; Y153-A456 VanDerWaalsContact OH-OXT 3.07Å; N207-A456 PolarHBondContact OD1-OXT 3.49Å; Y257-A456 WeakPolarHBondContact OH-CB 3.37Å; L434-A456 HydrophobicContact CD2-CB 4.4Å

Retrieved 456 of 456 residues in 618.4 ms (Link to these results)

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