A0A3Q0KRE5_SCHMA Loading...

Putative succinate semialdehyde dehydrogenase

AlphaFold DB , UniProt , Accession A0A3Q0KRE5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 539 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35	Very low	30.5	Very low	227 Å²	227	177.5 Å²	177.5	100%	1.118	88%	0.884	S	S	*	*				0	90.6	0	-75.9	173.9	175.5	0	0	108.6
2	T	29.9	Very low	30.2	Very low	138 Å²	138	183.2 Å²	183.2	85%	0.847	89%	0.888	S	S	*	*			trans	-98.3	101.7	-179.6	39.3	0	0	0	0	109	R4	T2-R4 PolarHBondContact O-N 3.03Å; T2-R4 VanDerWaalsContact O-N 3.13Å
3	Y	34.3	Very low	30.2	Very low	218 Å²	218	184.2 Å²	184.2	86%	0.855	89%	0.885	S	S	*	*			trans	-74.3	99	172.9	-84.5	-88.1	0	0	0	109.4	W5	Y3-W5 PolarHBondContact O-N 3.18Å
4	R	30.2	Very low	30	Very low	237 Å²	237	188.6 Å²	188.6	89%	0.894	89%	0.889	S	S	*	*			trans	-67.9	120.5	169.7	-85.2	-179	171.8	-171.4	-2.4	109.4	T2 C6	T2-R4 PolarHBondContact O-N 3.03Å; T2-R4 VanDerWaalsContact O-N 3.13Å; R4-C6 PolarHBondContact O-N 3.39Å
5	W	28.4	Very low	29.6	Very low	252 Å²	252	191.5 Å²	191.5	96%	0.955	89%	0.888	S	S	*	*			trans	-58.7	116.6	166.7	-85.4	51.1	0	0	0	110.4	Y3	Y3-W5 PolarHBondContact O-N 3.18Å
6	C	31.7	Very low	29.5	Very low	138 Å²	138	190.4 Å²	190.4	93%	0.932	89%	0.89	S	S	*	*			trans	-115.2	81.9	166.9	-163.5	0	0	0	0	107.6	R4	R4-C6 PolarHBondContact O-N 3.39Å
7	G	27.2	Very low	29.4	Very low	59 Å²	59	184.2 Å²	184.2	61%	0.608	88%	0.879	S	S	*	*			trans	-136.1	80.7	178.3	0	0	0	0	0	109.9
8	I	30.7	Very low	29.5	Very low	166 Å²	166	185.9 Å²	185.9	85%	0.851	88%	0.881	S	S	*	*			trans	-162.9	96.6	154.6	-78.3	125.6	0	0	0	105.3
9	R	28.1	Very low	29.3	Very low	244 Å²	244	181.8 Å²	181.8	92%	0.921	88%	0.875	S	S	*	*	S	Bend	trans	-166.4	0.3	154.6	-113.5	171.2	-173.7	-161	1.1	118.1
10	C	29.8	Very low	29.1	Very low	131 Å²	131	180.7 Å²	180.7	89%	0.885	87%	0.874	S	S	*	*	S	Bend	trans	-98.6	-3.4	-177.6	-87.5	0	0	0	0	117.9
11	V	30.2	Very low	29	Very low	142 Å²	142	176.5 Å²	176.5	86%	0.861	87%	0.868	S	S	*	*	S	Bend	trans	-95.1	-7.4	-173.4	-171.1	0	0	0	0	114.6
12	R	27.3	Very low	28.6	Very low	246 Å²	246	173.5 Å²	173.5	93%	0.928	86%	0.856	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-0.5	-175	-99	-174	180	-170.2	0.8	117
13	K	29.6	Very low	28.2	Very low	196 Å²	196	178.7 Å²	178.7	85%	0.852	86%	0.86	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-2.1	-175.9	-90.4	-170.6	175.7	-175.5	0	116.4
14	W	27.1	Very low	28	Very low	247 Å²	247	175.3 Å²	175.3	94%	0.936	86%	0.856	S	S	*	*	S	Bend	trans	-94.2	-3.9	-175.8	-119.7	72.4	0	0	0	115.6
15	W	24.8	Very low	27.9	Very low	232 Å²	232	169.7 Å²	169.7	88%	0.879	85%	0.849	S	S	*	*	S	Bend	trans	-111.9	4.2	-169.9	-111.4	82.6	0	0	0	117.4
16	L	27.2	Very low	27.7	Very low	174 Å²	174	163.3 Å²	163.3	91%	0.911	84%	0.844	S	S	*	*	S	Bend	trans	-144.2	31.2	-176.9	-80	174.6	0	0	0	116
17	A	28.3	Very low	27.6	Very low	85 Å²	85	160.7 Å²	160.7	70%	0.702	83%	0.832	S	S	*	*			trans	-130	87.6	176.4	0	0	0	0	0	112.1
18	K	31.1	Very low	27.6	Very low	214 Å²	214	167.1 Å²	167.1	93%	0.93	85%	0.846	S	S	*	*				175.1	69.7	126.5	-92.5	173.6	-176.3	-173.5	0	110.9
19	S	25.2	Very low	27.6	Very low	108 Å²	108	165.7 Å²	165.7	76%	0.755	84%	0.839	S	S	*	*			trans	-107.4	89.5	148.4	56.8	0	0	0	0	106.5
20	N	27	Very low	27.6	Very low	160 Å²	160	159 Å²	159	86%	0.856	83%	0.829	S	S	*	*			trans	-175.4	123.9	147.2	-94.8	-19.1	0	0	0	110.4
21	A	25.9	Very low	27.7	Very low	92 Å²	92	160.8 Å²	160.8	76%	0.76	83%	0.829	S	S	*	*			trans	-48.4	128.7	172.6	0	0	0	0	0	112.6
22	L	26.8	Very low	27.6	Very low	164 Å²	164	159 Å²	159	86%	0.859	82%	0.822	S	S	*	*			trans	-116.5	101.7	150	-87.3	161.3	0	0	0	106.6	I24	L22-I24 PolarHBondContact O-N 2.64Å
23	R	21.7	Very low	27.8	Very low	247 Å²	247	152.7 Å²	152.7	93%	0.932	82%	0.815	S	S	*	*			trans	-62.3	118.9	166.4	-73.4	177.4	173.1	-168.8	-2.6	107.8
24	I	30.1	Very low	27.9	Very low	148 Å²	148	148.5 Å²	148.5	76%	0.759	81%	0.81	S	S	*	*			trans	-124.6	137.7	163.5	-61.2	-179.6	0	0	0	107	L22	L22-I24 PolarHBondContact O-N 2.64Å
25	P	27.6	Very low	28.3	Very low	118 Å²	118	145 Å²	145	77%	0.766	81%	0.809	S	S	*	*			trans	-72.8	146.5	-156.7	-13.8	29.2	0	0	0	113.6	A27	P25-A27 PolarHBondContact O-N 3.02Å
26	S	25.5	Very low	29.2	Very low	119 Å²	119	143 Å²	143	83%	0.832	81%	0.812	S	S	*	*			trans	-57.8	99.2	171.9	52.1	0	0	0	0	111.7
27	A	29.5	Very low	30.8	Very low	82 Å²	82	137.8 Å²	137.8	68%	0.678	80%	0.8	S	S	*	*			trans	-83.7	111.7	154.4	0	0	0	0	0	107.1	P25 I29	P25-A27 PolarHBondContact O-N 3.02Å; A27-I29 VanDerWaalsContact C-N 3.31Å; A27-I29 PolarHBondContact O-N 2.92Å
28	Q	26.8	Very low	33.2	Very low	194 Å²	194	139 Å²	139	91%	0.907	80%	0.803	S	S	*	*			trans	-60.6	94.6	168.6	-76.7	175.3	-38.1	0	0	108.5	S30	Q28-S30 PolarHBondContact O-N 3.06Å
29	I	30.1	Very low	36	Very low	137 Å²	137	131.7 Å²	131.7	70%	0.703	78%	0.778	S	S	*	*			trans	-90.1	95.5	162.5	-60.7	176.8	0	0	0	105.5	A27 L31	A27-I29 VanDerWaalsContact C-N 3.31Å; A27-I29 PolarHBondContact O-N 2.92Å; I29-L31 HydrophobicContact CG2-CG 4.49Å; I29-L31 PolarHBondContact O-N 3.29Å
30	S	27.9	Very low	39.3	Very low	103 Å²	103	129.4 Å²	129.4	72%	0.72	76%	0.762	S	S	*	*			trans	-63.5	100.3	163.9	55.7	0	0	0	0	108.1	Q28 S32	Q28-S30 PolarHBondContact O-N 3.06Å; S30-S32 VanDerWaalsContact C-N 3.25Å; S30-S32 PolarHBondContact O-N 3.2Å
31	L	32	Very low	42.6	Very low	168 Å²	168	122.9 Å²	122.9	88%	0.88	73%	0.725	S	S	*	*			trans	-72.1	85	166.1	-89.7	135.6	0	0	0	108.7	I29	I29-L31 HydrophobicContact CG2-CG 4.49Å; I29-L31 PolarHBondContact O-N 3.29Å
32	S	29	Very low	45.9	Very low	104 Å²	104	120 Å²	120	73%	0.727	70%	0.704	S	S	*	*			trans	-77	122.2	160	57.2	0	0	0	0	109.1	S30	S30-S32 VanDerWaalsContact C-N 3.25Å; S30-S32 PolarHBondContact O-N 3.2Å
33	C	31.3	Very low	49.2	Very low	115 Å²	115	117.5 Å²	117.5	78%	0.777	69%	0.688	S	S	*	*	S	Bend	trans	5.5	122.2	161.3	-81.7	0	0	0	0	119.1
34	S	31.4	Very low	52.9	Low	107 Å²	107	105.9 Å²	105.9	75%	0.748	64%	0.644	S	S	*	*			trans	44.4	75.4	137	65.3	0	0	0	0	117.3
35	L	36	Very low	56.1	Low	174 Å²	174	99.8 Å²	99.8	91%	0.911	61%	0.614	S	S	*	*			trans	-81.4	114	147.4	-78.2	162.3	0	0	0	107.2	G37	L35-G37 PolarHBondContact O-N 2.89Å
36	M	42.4	Very low	59.3	Low	191 Å²	191	95.4 Å²	95.4	94%	0.941	59%	0.585	S	S	*	*			trans	-60.8	71.2	-179.7	-67.2	179.1	-80.3	0	0	112.6
37	G	62	Low	62.6	Low	64 Å²	64	97.1 Å²	97.1	66%	0.66	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-72.1	137.5	158.9	0	0	0	0	0	109	L35	L35-G37 PolarHBondContact O-N 2.89Å
38	S	78.6	Confident	65.8	Low	109 Å²	109	94.9 Å²	94.9	76%	0.762	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-55.1	137.5	166	54	0	0	0	0	109
39	P	88.4	Confident	69.2	Low	61 Å²	61	89.9 Å²	89.9	40%	0.396	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-55.7	145.7	177.4	23.1	-32.5	0	0	0	110.3	W41 G42	P39-W41 HydrophobicContact CB-CD2 3.84Å; P39-W41 VanDerWaalsContact CB-CE2 3.44Å; P39-W41 HydrophobicContact CB-CE3 4.4Å; P39-W41 HydrophobicContact CB-CG 4.27Å; P39-W41 HydrophobicContact CB-CH2 4.27Å; P39-W41 HydrophobicContact CB-CZ2 3.69Å; P39-W41 HydrophobicContact CG-CD2 4.12Å; P39-W41 HydrophobicContact CG-CE3 4.17Å; P39-W41 HydrophobicContact CG-CH2 3.88Å; P39-W41 HydrophobicContact CG-CZ2 3.82Å; P39-W41 HydrophobicContact CG-CZ3 4.06Å; P39-W41 PolarHBondContact O-N 3.03Å; P39-G42 PolarHBondContact O-N 3.45Å
40	S	94.3	Very high	72.4	Confident	60 Å²	60	83.4 Å²	83.4	42%	0.42	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-30.2	-177.3	58.8	0	0	0	0	112.7	H43 D129	S40-H43 PolarHBondContact O-CE1 2.85Å; S40-H43 PolarHBondContact O-ND1 3.44Å; S40-D129 WeakPolarHBondContact OG-CB 3.22Å; S40-D129 PolarHBondContact OG-OD2 3.02Å
41	W	97.1	Very high	75.8	Confident	23 Å²	23	78.7 Å²	78.7	9%	0.087	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-4.5	179.6	50.2	-101.2	0	0	0	115.6	P39 H43 L44 V45 L76 A126 L130 L225	P39-W41 HydrophobicContact CB-CD2 3.84Å; P39-W41 VanDerWaalsContact CB-CE2 3.44Å; P39-W41 HydrophobicContact CB-CE3 4.4Å; P39-W41 HydrophobicContact CB-CG 4.27Å; P39-W41 HydrophobicContact CB-CH2 4.27Å; P39-W41 HydrophobicContact CB-CZ2 3.69Å; P39-W41 HydrophobicContact CG-CD2 4.12Å; P39-W41 HydrophobicContact CG-CE3 4.17Å; P39-W41 HydrophobicContact CG-CH2 3.88Å; P39-W41 HydrophobicContact CG-CZ2 3.82Å; P39-W41 HydrophobicContact CG-CZ3 4.06Å; P39-W41 PolarHBondContact O-N 3.03Å; W41-H43 PolarHBondContact O-N 3.22Å; W41-H43 VanDerWaalsContact O-N 3.08Å; W41-L44 WeakPolarHBondContact O-CB 3.18Å; W41-L44 PolarHBondContact O-N 2.94Å; W41-V45 HydrophobicContact CE3-CG2 4.17Å; W41-V45 HydrophobicContact CZ3-CG2 4.49Å; W41-L76 HydrophobicContact CH2-CB 4.36Å; W41-L76 HydrophobicContact CZ2-CD2 4.41Å; W41-A126 HydrophobicContact CB-CB 4.33Å; W41-A126 WeakPolarHBondContact CB-O 3.49Å; W41-L130 HydrophobicContact CB-CB 3.82Å; W41-L130 HydrophobicContact CB-CD2 4.47Å; W41-L130 HydrophobicContact CD2-CB 4.19Å; W41-L130 HydrophobicContact CD2-CD1 3.59Å; W41-L130 HydrophobicContact CD2-CG 4.37Å; W41-L130 HydrophobicContact CE3-CD1 3.72Å; W41-L130 HydrophobicContact CG-CB 3.67Å; W41-L130 HydrophobicContact CG-CD1 4.02Å; W41-L130 HydrophobicContact CG-CG 4.31Å; W41-L130 HydrophobicContact CH2-CD1 4.3Å; W41-L130 HydrophobicContact CZ2-CD1 4.18Å; W41-L130 HydrophobicContact CZ3-CD1 4.08Å; W41-L225 HydrophobicContact CH2-CD1 4.46Å
42	G	96.1	Very high	78.9	Confident	31 Å²	31	71 Å²	71	32%	0.32	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-57.1	-31	-174	0	0	0	0	0	113.6	P39 L44 V45	P39-G42 PolarHBondContact O-N 3.45Å; G42-L44 PolarHBondContact O-N 2.85Å; G42-V45 PolarHBondContact O-N 2.84Å
43	H	96.3	Very high	82.1	Confident	113 Å²	113	67.4 Å²	67.4	52%	0.523	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-71.1	-11.1	177.1	71.1	-82	0	0	0	114.6	S40 W41	S40-H43 PolarHBondContact O-CE1 2.85Å; S40-H43 PolarHBondContact O-ND1 3.44Å; W41-H43 PolarHBondContact O-N 3.22Å; W41-H43 VanDerWaalsContact O-N 3.08Å
44	L	98.1	Very high	85.2	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.01	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-94.7	-18.4	179.7	-59.3	178.3	0	0	0	113.1	W41 G42 P46 N123 A126 L127 A229 Y232 L233	W41-L44 WeakPolarHBondContact O-CB 3.18Å; W41-L44 PolarHBondContact O-N 2.94Å; G42-L44 PolarHBondContact O-N 2.85Å; L44-P46 WeakPolarHBondContact O-CD 3.32Å; L44-N123 HydrophobicContact CD1-CB 4.21Å; L44-A126 HydrophobicContact CD1-CB 3.93Å; L44-L127 HydrophobicContact CD1-CD2 3.9Å; L44-L127 HydrophobicContact CD1-CG 4.06Å; L44-A229 HydrophobicContact CB-CB 3.95Å; L44-A229 WeakPolarHBondContact O-CA 3.37Å; L44-Y232 HydrophobicContact CD2-CD1 4.42Å; L44-Y232 HydrophobicContact CD2-CE1 4.47Å; L44-Y232 VanDerWaalsContact O-CB 3.3Å; L44-Y232 WeakPolarHBondContact O-CB 3.49Å; L44-L233 HydrophobicContact CD2-CD2 3.81Å; L44-L233 HydrophobicContact CD2-CG 4.27Å
45	V	97.7	Very high	88.3	Confident	21 Å²	21	63.7 Å²	63.7	13%	0.127	36%	0.359	C	S	.	.	S	Bend	trans	-112.4	107.9	-173.4	-175.9	0	0	0	0	109.8	W41 G42 E47 L130 L225 A229	W41-V45 HydrophobicContact CE3-CG2 4.17Å; W41-V45 HydrophobicContact CZ3-CG2 4.49Å; G42-V45 PolarHBondContact O-N 2.84Å; V45-E47 PolarHBondContact O-N 2.94Å; V45-L130 HydrophobicContact CG2-CD2 4.08Å; V45-L225 HydrophobicContact CG1-CD2 3.98Å; V45-L225 HydrophobicContact CG2-CB 4.36Å; V45-A229 HydrophobicContact CG2-CB 4Å
46	P	95.6	Very high	91.3	Very high	25 Å²	25	57 Å²	57	16%	0.162	32%	0.322	C	S	.	.			trans	-59.9	120.3	173.8	-29.1	40.4	0	0	0	111.3	L44 N48 K49 W56 Y232	L44-P46 WeakPolarHBondContact O-CD 3.32Å; P46-N48 PolarHBondContact O-N 3.27Å; P46-K49 HydrophobicContact CB-CB 4.34Å; P46-K49 PolarHBondContact O-N 2.8Å; P46-W56 HydrophobicContact CB-CD2 3.85Å; P46-W56 HydrophobicContact CB-CE3 3.63Å; P46-W56 HydrophobicContact CB-CG 4.3Å; P46-W56 HydrophobicContact CB-CZ3 4.04Å; P46-W56 HydrophobicContact CG-CD2 3.58Å; P46-W56 HydrophobicContact CG-CE3 3.58Å; P46-W56 HydrophobicContact CG-CG 4.27Å; P46-W56 HydrophobicContact CG-CH2 3.84Å; P46-W56 HydrophobicContact CG-CZ2 3.87Å; P46-W56 HydrophobicContact CG-CZ3 3.67Å; P46-Y232 HydrophobicContact CG-CD2 3.8Å; P46-Y232 HydrophobicContact CG-CG 4.48Å
47	E	94.5	Very high	94	Very high	155 Å²	155	51.1 Å²	51.1	72%	0.724	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	128.3	-172.5	-160.2	-161.9	153.5	0	0	111.5	V45 K49	V45-E47 PolarHBondContact O-N 2.94Å; E47-K49 WeakPolarHBondContact O-CG 3.26Å; E47-K49 PolarHBondContact O-N 2.81Å; E47-K49 VanDerWaalsContact O-N 3.08Å
48	N	96.3	Very high	95.7	Very high	35 Å²	35	50.9 Å²	50.9	19%	0.187	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	26.9	172.3	-62.6	-55	0	0	0	114.9	P46 K64 S78 P80	P46-N48 PolarHBondContact O-N 3.27Å; N48-K64 HydrophobicContact CB-CD 4.23Å; N48-K64 PolarHBondContact ND2-NZ 3.22Å; N48-K64 WeakPolarHBondContact OD1-CD 3.41Å; N48-K64 PolarHBondContact OD1-NZ 3.42Å; N48-S78 PolarHBondContact OD1-O 2.97Å; N48-P80 WeakPolarHBondContact O-CG 3.4Å
49	K	98.2	Very high	96.6	Very high	90 Å²	90	46 Å²	46	39%	0.391	24%	0.244	S	C	.	.			trans	-132.3	150.3	-176.7	-70.5	174.7	-179.4	-170.2	0	112.1	P46 E47 W56 E57	P46-K49 HydrophobicContact CB-CB 4.34Å; P46-K49 PolarHBondContact O-N 2.8Å; E47-K49 WeakPolarHBondContact O-CG 3.26Å; E47-K49 PolarHBondContact O-N 2.81Å; E47-K49 VanDerWaalsContact O-N 3.08Å; K49-W56 HydrophobicContact CB-CB 4.15Å; K49-W56 HydrophobicContact CB-CE3 4.23Å; K49-W56 HydrophobicContact CD-CB 3.9Å; K49-E57 CarbonylContact C-O 3.48Å; K49-E57 VanDerWaalsContact CA-O 3.3Å; K49-E57 WeakPolarHBondContact CA-O 2.96Å
50	A	98.2	Very high	97	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	161.2	171.5	0	0	0	0	0	109.1	Y52 W56 E57 P80 L228	A50-Y52 HydrophobicContact CB-CD1 4.25Å; A50-W56 WeakPolarHBondContact O-CA 3.4Å; A50-E57 PolarHBondContact N-O 3.1Å; A50-E57 PolarHBondContact O-N 2.71Å; A50-P80 HydrophobicContact CB-CB 4.32Å; A50-P80 HydrophobicContact CB-CG 3.97Å; A50-L228 HydrophobicContact CB-CD2 4.34Å
51	F	98.5	Very high	97	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.022	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	76.7	-174.5	-165.5	-94.7	0	0	0	110.8	G54 K55 W56 T231 V235 L245 N246 V247	F51-G54 WeakPolarHBondContact CZ-O 3.37Å; F51-K55 WeakPolarHBondContact CA-O 2.91Å; F51-K55 VanDerWaalsContact CD2-C 3.41Å; F51-W56 HydrophobicContact CB-CD2 4.21Å; F51-W56 HydrophobicContact CB-CE3 4.06Å; F51-W56 HydrophobicContact CB-CH2 4.07Å; F51-W56 HydrophobicContact CB-CZ2 4.17Å; F51-W56 HydrophobicContact CB-CZ3 4.03Å; F51-W56 AromaticContact CD2-CD1 3.78Å; F51-W56 AromaticContact CD2-CD2 3.75Å; F51-W56 HydrophobicContact CD2-CD2 3.75Å; F51-W56 AromaticContact CD2-CE2 3.54Å; F51-W56 HydrophobicContact CD2-CE3 4.44Å; F51-W56 AromaticContact CD2-CG 3.87Å; F51-W56 HydrophobicContact CD2-CG 3.87Å; F51-W56 HydrophobicContact CD2-CZ2 4.04Å; F51-W56 AromaticContact CD2-NE1 3.57Å; F51-W56 AromaticContact CE2-NE1 3.87Å; F51-W56 HydrophobicContact CG-CD2 4.46Å; F51-W56 HydrophobicContact CG-CZ2 4.36Å; F51-T231 HydrophobicContact CB-CG2 3.99Å; F51-T231 HydrophobicContact CD1-CG2 4.21Å; F51-T231 HydrophobicContact CG-CG2 4.21Å; F51-V235 HydrophobicContact CD1-CG1 4.2Å; F51-V235 HydrophobicContact CD2-CG2 4.2Å; F51-V235 HydrophobicContact CE1-CB 4.32Å; F51-V235 HydrophobicContact CE1-CG1 3.64Å; F51-V235 HydrophobicContact CE1-CG2 4.43Å; F51-V235 HydrophobicContact CE2-CB 4.32Å; F51-V235 HydrophobicContact CE2-CG1 4.48Å; F51-V235 HydrophobicContact CE2-CG2 3.86Å; F51-V235 HydrophobicContact CZ-CB 3.95Å; F51-V235 HydrophobicContact CZ-CG1 3.78Å; F51-V235 HydrophobicContact CZ-CG2 3.99Å; F51-L245 WeakPolarHBondContact CD1-O 3.19Å; F51-L245 VanDerWaalsContact CE1-O 3.24Å; F51-L245 WeakPolarHBondContact CE1-O 3.31Å; F51-N246 CarbonylContact O-C 3.54Å; F51-N246 WeakPolarHBondContact O-CA 3.38Å; F51-N246 WeakPolarHBondContact O-CB 3.36Å; F51-V247 CarbonylContact C-O 3.54Å; F51-V247 PolarHBondContact N-O 3.48Å; F51-V247 PolarHBondContact O-N 3.35Å
52	Y	97.1	Very high	97	Very high	6 Å²	6	49.9 Å²	49.9	2%	0.024	28%	0.276	C	S	.	.			trans	-114.5	-19.8	-172.7	66.2	-96.7	0	0	0	115.3	A50 E57 P58 E86 I89 S90 N246	A50-Y52 HydrophobicContact CB-CD1 4.25Å; Y52-E57 HydrophobicContact CD1-CB 4.44Å; Y52-E57 HydrophobicContact CE1-CB 3.62Å; Y52-P58 WeakPolarHBondContact CE1-O 3.42Å; Y52-P58 PolarHBondContact OH-O 3.2Å; Y52-E86 HydrophobicContact CD1-CB 4.23Å; Y52-E86 HydrophobicContact CD1-CG 4.32Å; Y52-E86 HydrophobicContact CD2-CB 3.75Å; Y52-E86 HydrophobicContact CD2-CG 4.11Å; Y52-E86 HydrophobicContact CE1-CB 4.25Å; Y52-E86 HydrophobicContact CE1-CG 3.84Å; Y52-E86 HydrophobicContact CE2-CB 3.79Å; Y52-E86 HydrophobicContact CE2-CG 3.62Å; Y52-E86 HydrophobicContact CG-CB 3.99Å; Y52-E86 HydrophobicContact CG-CG 4.44Å; Y52-E86 VanDerWaalsContact CZ-CG 3.46Å; Y52-I89 HydrophobicContact CD2-CB 4.27Å; Y52-I89 HydrophobicContact CD2-CG2 3.99Å; Y52-I89 HydrophobicContact CE2-CB 4.45Å; Y52-I89 HydrophobicContact CE2-CD1 4.2Å; Y52-I89 HydrophobicContact CE2-CG2 4.18Å; Y52-S90 WeakPolarHBondContact O-CA 3.35Å; Y52-S90 VanDerWaalsContact O-CB 3.26Å; Y52-S90 WeakPolarHBondContact O-CB 3.35Å; Y52-S90 PolarHBondContact O-OG 2.95Å; Y52-N246 PolarHBondContact O-OD1 2.8Å
53	S	95.8	Very high	97	Very high	29 Å²	29	53.3 Å²	53.3	20%	0.203	28%	0.282	C	S	.	.	S	Bend	trans	-104.3	19	179.5	63.8	0	0	0	0	113	K55 E57	S53-K55 PolarHBondContact O-N 3.26Å; S53-E57 VanDerWaalsContact OG-CG 3.3Å; S53-E57 WeakPolarHBondContact OG-CG 3.39Å
54	G	95.9	Very high	97	Very high	8 Å²	8	52.9 Å²	52.9	8%	0.082	28%	0.278	C	S	.	.	S	Bend	trans	71.7	12.1	-162.2	0	0	0	0	0	113.3	F51	F51-G54 WeakPolarHBondContact CZ-O 3.37Å
55	K	98.1	Very high	96.9	Very high	135 Å²	135	54 Å²	54	59%	0.587	28%	0.283	S	S	*	.	S	Bend	trans	-142.5	159.9	178.1	-58.7	178.9	-175.1	174.1	0	110.4	F51 S53 E57	F51-K55 WeakPolarHBondContact CA-O 2.91Å; F51-K55 VanDerWaalsContact CD2-C 3.41Å; S53-K55 PolarHBondContact O-N 3.26Å; K55-E57 HydrophobicContact CB-CG 4.26Å; K55-E57 PolarHBondContact O-N 3.02Å
56	W	98.5	Very high	96.9	Very high	35 Å²	35	56.6 Å²	56.6	13%	0.133	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	107.6	170.7	-65.5	101.3	0	0	0	110.8	P46 K49 A50 F51 L228 T231 Y232 V235 E236	P46-W56 HydrophobicContact CB-CD2 3.85Å; P46-W56 HydrophobicContact CB-CE3 3.63Å; P46-W56 HydrophobicContact CB-CG 4.3Å; P46-W56 HydrophobicContact CB-CZ3 4.04Å; P46-W56 HydrophobicContact CG-CD2 3.58Å; P46-W56 HydrophobicContact CG-CE3 3.58Å; P46-W56 HydrophobicContact CG-CG 4.27Å; P46-W56 HydrophobicContact CG-CH2 3.84Å; P46-W56 HydrophobicContact CG-CZ2 3.87Å; P46-W56 HydrophobicContact CG-CZ3 3.67Å; K49-W56 HydrophobicContact CB-CB 4.15Å; K49-W56 HydrophobicContact CB-CE3 4.23Å; K49-W56 HydrophobicContact CD-CB 3.9Å; A50-W56 WeakPolarHBondContact O-CA 3.4Å; F51-W56 HydrophobicContact CB-CD2 4.21Å; F51-W56 HydrophobicContact CB-CE3 4.06Å; F51-W56 HydrophobicContact CB-CH2 4.07Å; F51-W56 HydrophobicContact CB-CZ2 4.17Å; F51-W56 HydrophobicContact CB-CZ3 4.03Å; F51-W56 AromaticContact CD2-CD1 3.78Å; F51-W56 AromaticContact CD2-CD2 3.75Å; F51-W56 HydrophobicContact CD2-CD2 3.75Å; F51-W56 AromaticContact CD2-CE2 3.54Å; F51-W56 HydrophobicContact CD2-CE3 4.44Å; F51-W56 AromaticContact CD2-CG 3.87Å; F51-W56 HydrophobicContact CD2-CG 3.87Å; F51-W56 HydrophobicContact CD2-CZ2 4.04Å; F51-W56 AromaticContact CD2-NE1 3.57Å; F51-W56 AromaticContact CE2-NE1 3.87Å; F51-W56 HydrophobicContact CG-CD2 4.46Å; F51-W56 HydrophobicContact CG-CZ2 4.36Å; W56-L228 HydrophobicContact CH2-CB 4.49Å; W56-L228 HydrophobicContact CH2-CD2 4.46Å; W56-L228 WeakPolarHBondContact CH2-O 3.47Å; W56-L228 HydrophobicContact CZ3-CB 4.4Å; W56-L228 HydrophobicContact CZ3-CD2 3.9Å; W56-T231 HydrophobicContact CH2-CG2 4.21Å; W56-T231 HydrophobicContact CZ2-CG2 4.3Å; W56-Y232 HydrophobicContact CZ2-CD2 4.36Å; W56-V235 HydrophobicContact CZ2-CG2 4.04Å; W56-E236 PolarHBondContact NE1-OE1 3.18Å
57	E	98.5	Very high	97	Very high	67 Å²	67	55.6 Å²	55.6	31%	0.313	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149.3	-173.9	-64.7	-74.4	179.2	0	0	110.9	K49 A50 Y52 S53 K55	K49-E57 CarbonylContact C-O 3.48Å; K49-E57 VanDerWaalsContact CA-O 3.3Å; K49-E57 WeakPolarHBondContact CA-O 2.96Å; A50-E57 PolarHBondContact N-O 3.1Å; A50-E57 PolarHBondContact O-N 2.71Å; Y52-E57 HydrophobicContact CD1-CB 4.44Å; Y52-E57 HydrophobicContact CE1-CB 3.62Å; S53-E57 VanDerWaalsContact OG-CG 3.3Å; S53-E57 WeakPolarHBondContact OG-CG 3.39Å; K55-E57 HydrophobicContact CB-CG 4.26Å; K55-E57 PolarHBondContact O-N 3.02Å
58	P	98	Very high	97.1	Very high	58 Å²	58	51 Å²	51	38%	0.377	28%	0.278	S	S	.	.			trans	-68	173	162.5	33.3	-35.2	0	0	0	110.8	Y52	Y52-P58 WeakPolarHBondContact CE1-O 3.42Å; Y52-P58 PolarHBondContact OH-O 3.2Å
59	S	97.1	Very high	97.2	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.042	27%	0.271	C	S	.	.			trans	-64.9	148.1	164.8	58	0	0	0	0	109.4	S61 G62 K63	S59-S61 PolarHBondContact O-N 3.05Å; S59-G62 PolarHBondContact O-N 3.43Å; S59-G62 VanDerWaalsContact OG-C 3.3Å; S59-G62 WeakPolarHBondContact OG-CA 3.39Å; S59-G62 PolarHBondContact OG-N 2.84Å; S59-K63 PolarHBondContact OG-N 3.2Å; S59-K63 VanDerWaalsContact OG-N 3.09Å; S59-K63 PolarHBondContact OG-O 3.43Å
60	L	97	Very high	97.2	Very high	104 Å²	104	45.6 Å²	45.6	55%	0.545	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-30.6	177.7	-62.4	173.3	0	0	0	111.7	G62 N85 E86 I89	L60-G62 VanDerWaalsContact C-N 3.32Å; L60-N85 HydrophobicContact CD1-CB 3.9Å; L60-E86 VanDerWaalsContact CB-OE1 3.25Å; L60-E86 WeakPolarHBondContact CB-OE1 3.27Å; L60-E86 HydrophobicContact CD1-CG 4.1Å; L60-E86 HydrophobicContact CG-CG 3.95Å; L60-E86 VanDerWaalsContact CG-OE1 3.31Å; L60-E86 WeakPolarHBondContact CG-OE1 3.36Å; L60-E86 PolarHBondContact N-OE1 3.34Å; L60-I89 HydrophobicContact CD1-CD1 3.88Å
61	S	95.2	Very high	97.2	Very high	76 Å²	76	45.6 Å²	45.6	53%	0.531	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-12.1	175.8	66	0	0	0	0	113.7	S59 K63	S59-S61 PolarHBondContact O-N 3.05Å; S61-K63 PolarHBondContact O-N 3.32Å; S61-K63 WeakPolarHBondContact OG-CB 3.44Å; S61-K63 WeakPolarHBondContact OG-CG 3.42Å; S61-K63 PolarHBondContact OG-N 2.75Å
62	G	95.7	Very high	97	Very high	47 Å²	47	47.2 Å²	47.2	49%	0.485	26%	0.264	S	S	.	.			trans	72.6	-4.3	-169.6	0	0	0	0	0	114.7	S59 L60	S59-G62 PolarHBondContact O-N 3.43Å; S59-G62 VanDerWaalsContact OG-C 3.3Å; S59-G62 WeakPolarHBondContact OG-CA 3.39Å; S59-G62 PolarHBondContact OG-N 2.84Å; L60-G62 VanDerWaalsContact C-N 3.32Å
63	K	96.1	Very high	97	Very high	103 Å²	103	49 Å²	49	45%	0.448	28%	0.284	S	S	.	.			trans	-66.1	146.6	177.2	-70	-177.2	165.8	-166.1	0	111.9	S59 S61 A81 D254	S59-K63 PolarHBondContact OG-N 3.2Å; S59-K63 VanDerWaalsContact OG-N 3.09Å; S59-K63 PolarHBondContact OG-O 3.43Å; S61-K63 PolarHBondContact O-N 3.32Å; S61-K63 WeakPolarHBondContact OG-CB 3.44Å; S61-K63 WeakPolarHBondContact OG-CG 3.42Å; S61-K63 PolarHBondContact OG-N 2.75Å; K63-A81 HydrophobicContact CB-CB 3.92Å; K63-A81 PolarHBondContact O-N 3.3Å; K63-D254 WeakPolarHBondContact CD-OD2 3.05Å; K63-D254 VanDerWaalsContact NZ-CG 3.34Å; K63-D254 IonicContact NZ-OD1 2.78Å; K63-D254 PolarHBondContact NZ-OD1 2.86Å; K63-D254 IonicContact NZ-OD2 3.15Å; K63-D254 PolarHBondContact NZ-OD2 3.17Å
64	K	96.5	Very high	97	Very high	103 Å²	103	53.2 Å²	53.2	45%	0.448	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	159.6	179.5	-57.7	175.5	-171.9	174.4	0	109.6	N48 V79	N48-K64 HydrophobicContact CB-CD 4.23Å; N48-K64 PolarHBondContact ND2-NZ 3.22Å; N48-K64 WeakPolarHBondContact OD1-CD 3.41Å; N48-K64 PolarHBondContact OD1-NZ 3.42Å; K64-V79 CarbonylContact C-O 3.58Å; K64-V79 WeakPolarHBondContact CA-O 3.13Å; K64-V79 WeakPolarHBondContact CB-O 3.42Å
65	F	96.7	Very high	97	Very high	27 Å²	27	57.7 Å²	57.7	12%	0.118	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151.9	168	63.5	-85.7	0	0	0	110.5	S78 V79 P80 A81 E221 P224 A250 A251	F65-S78 WeakPolarHBondContact O-CA 3.35Å; F65-V79 HydrophobicContact CD1-CG2 3.95Å; F65-V79 HydrophobicContact CD2-CG2 3.85Å; F65-V79 HydrophobicContact CE1-CG2 3.48Å; F65-V79 VanDerWaalsContact CE1-CG2 3.48Å; F65-V79 HydrophobicContact CE2-CG2 3.34Å; F65-V79 HydrophobicContact CG-CG2 4.14Å; F65-V79 HydrophobicContact CZ-CG2 3.16Å; F65-V79 PolarHBondContact N-O 2.99Å; F65-V79 PolarHBondContact O-N 3.34Å; F65-P80 VanDerWaalsContact CE1-O 3.32Å; F65-P80 WeakPolarHBondContact CE1-O 3.13Å; F65-A81 HydrophobicContact CD1-CB 3.96Å; F65-E221 HydrophobicContact CE2-CB 4.15Å; F65-E221 WeakPolarHBondContact CE2-O 3.28Å; F65-P224 HydrophobicContact CE2-CG 4.2Å; F65-P224 HydrophobicContact CZ-CG 4.45Å; F65-A250 WeakPolarHBondContact CZ-O 3.2Å; F65-A251 HydrophobicContact CB-CB 4.04Å; F65-A251 HydrophobicContact CD1-CB 3.66Å; F65-A251 HydrophobicContact CE1-CB 4.27Å; F65-A251 HydrophobicContact CG-CB 3.96Å
66	S	96.5	Very high	97	Very high	75 Å²	75	52.6 Å²	52.6	52%	0.524	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	141.5	-176.8	-70.5	0	0	0	0	111.5	H75	S66-H75 PolarHBondContact OG-NE2 2.74Å
67	V	97.7	Very high	96.8	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.1	168.1	-173.7	0	0	0	0	107.7	L76 G77 V79 E134 P224 L225	V67-L76 HydrophobicContact CG1-CD1 4.39Å; V67-L76 PolarHBondContact O-N 2.9Å; V67-G77 PolarHBondContact N-O 2.87Å; V67-V79 HydrophobicContact CG2-CG1 4.37Å; V67-V79 HydrophobicContact CG2-CG2 4.24Å; V67-E134 HydrophobicContact CG1-CB 4.17Å; V67-P224 HydrophobicContact CG2-CG 3.51Å; V67-L225 HydrophobicContact CB-CD1 3.99Å; V67-L225 HydrophobicContact CB-CG 4.26Å; V67-L225 HydrophobicContact CG1-CD1 3.85Å; V67-L225 HydrophobicContact CG1-CG 4.17Å; V67-L225 HydrophobicContact CG2-CD1 4.34Å; V67-L225 HydrophobicContact CG2-CD2 4.23Å; V67-L225 HydrophobicContact CG2-CG 4.06Å
68	V	97.5	Very high	96.8	Very high	59 Å²	59	50.1 Å²	50.1	36%	0.358	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.5	-174.2	-61.5	0	0	0	0	110.9	P70 E74	V68-P70 WeakPolarHBondContact O-CD 3.38Å; V68-E74 CarbonylContact C-O 3.6Å; V68-E74 VanDerWaalsContact CA-O 3.25Å; V68-E74 WeakPolarHBondContact CA-O 3.33Å
69	N	98.2	Very high	96.8	Very high	9 Å²	9	47.5 Å²	47.5	5%	0.048	28%	0.279	C	S	.	.			trans	-75.8	117.8	172.4	-175.7	-36.8	0	0	0	109.8	A71 T72 G73 E74 L76 A133	N69-A71 PolarHBondContact O-N 2.76Å; N69-A71 WeakPolarHBondContact OD1-CB 3.46Å; N69-A71 PolarHBondContact OD1-N 3.15Å; N69-T72 WeakPolarHBondContact CB-OG1 3.3Å; N69-T72 PolarHBondContact O-N 2.75Å; N69-G73 WeakPolarHBondContact O-CA 3.39Å; N69-G73 PolarHBondContact O-N 3.1Å; N69-E74 HydrophobicContact CB-CB 4.21Å; N69-E74 PolarHBondContact N-O 3.25Å; N69-L76 HydrophobicContact CB-CD1 4.22Å; N69-L76 HydrophobicContact CB-CD2 4.1Å; N69-L76 HydrophobicContact CB-CG 4.21Å; N69-A133 WeakPolarHBondContact CA-O 3.09Å; N69-A133 VanDerWaalsContact CG-O 3.31Å
70	P	98	Very high	96.8	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.013	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.1	-176.4	28.2	-34.7	0	0	0	114.2	V68 A133 N135 P374 I376 G419 Y420	V68-P70 WeakPolarHBondContact O-CD 3.38Å; P70-A133 WeakPolarHBondContact CD-O 3.43Å; P70-N135 VanDerWaalsContact CG-C 3.5Å; P70-N135 WeakPolarHBondContact CG-O 3.1Å; P70-P374 HydrophobicContact CB-CB 4.46Å; P70-P374 HydrophobicContact CB-CG 3.91Å; P70-P374 HydrophobicContact CG-CG 3.9Å; P70-I376 WeakPolarHBondContact CB-O 3.37Å; P70-G419 CarbonylContact O-C 3.59Å; P70-G419 WeakPolarHBondContact O-CA 3.3Å; P70-Y420 HydrophobicContact CB-CD2 3.8Å; P70-Y420 HydrophobicContact CB-CE2 4.23Å; P70-Y420 WeakPolarHBondContact O-CD2 3.03Å; P70-Y420 PolarHBondContact O-N 3.03Å
71	A	97.6	Very high	96.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-26	176.9	0	0	0	0	0	113.1	N69 N364 P374 F421	N69-A71 PolarHBondContact O-N 2.76Å; N69-A71 WeakPolarHBondContact OD1-CB 3.46Å; N69-A71 PolarHBondContact OD1-N 3.15Å; A71-N364 HydrophobicContact CB-CB 4.41Å; A71-P374 HydrophobicContact CB-CG 3.88Å; A71-F421 HydrophobicContact CB-CE2 4.34Å; A71-F421 HydrophobicContact CB-CZ 3.76Å; A71-F421 WeakPolarHBondContact O-CE2 3.32Å
72	T	96.3	Very high	96.9	Very high	39 Å²	39	39.3 Å²	39.3	24%	0.239	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-14.4	-170.5	62.9	0	0	0	0	114.4	N69 E74 L414 N418	N69-T72 WeakPolarHBondContact CB-OG1 3.3Å; N69-T72 PolarHBondContact O-N 2.75Å; T72-E74 PolarHBondContact O-N 3.28Å; T72-E74 VanDerWaalsContact OG1-CB 3.25Å; T72-E74 WeakPolarHBondContact OG1-CB 3.38Å; T72-E74 PolarHBondContact OG1-N 3.49Å; T72-L414 HydrophobicContact CG2-CD1 4.07Å; T72-N418 CarbonylContact C-O 3.38Å
73	G	95.7	Very high	96.9	Very high	44 Å²	44	38.4 Å²	38.4	45%	0.454	22%	0.217	S	C	.	.			trans	73	3.5	-171.6	0	0	0	0	0	113.9	N69 N418	N69-G73 WeakPolarHBondContact O-CA 3.39Å; N69-G73 PolarHBondContact O-N 3.1Å; G73-N418 PolarHBondContact N-O 3.18Å
74	E	96.2	Very high	96.9	Very high	118 Å²	118	38 Å²	38	55%	0.551	22%	0.216	S	C	*	.			trans	-64.5	139.4	-178.8	-176.7	179.6	-178.4	0	0	111.7	V68 N69 T72 L76	V68-E74 CarbonylContact C-O 3.6Å; V68-E74 VanDerWaalsContact CA-O 3.25Å; V68-E74 WeakPolarHBondContact CA-O 3.33Å; N69-E74 HydrophobicContact CB-CB 4.21Å; N69-E74 PolarHBondContact N-O 3.25Å; T72-E74 PolarHBondContact O-N 3.28Å; T72-E74 VanDerWaalsContact OG1-CB 3.25Å; T72-E74 WeakPolarHBondContact OG1-CB 3.38Å; T72-E74 PolarHBondContact OG1-N 3.49Å; E74-L76 PolarHBondContact O-N 3.39Å
75	H	96.6	Very high	96.9	Very high	101 Å²	101	36.8 Å²	36.8	47%	0.468	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	119.7	172.4	179.8	-113.3	0	0	0	110.5	S66 G77 S78	S66-H75 PolarHBondContact OG-NE2 2.74Å; H75-G77 VanDerWaalsContact NE2-C 3.33Å; H75-G77 PolarHBondContact NE2-O 2.97Å; H75-S78 PolarHBondContact NE2-OG 3.28Å
76	L	97	Very high	97	Very high	29 Å²	29	35.6 Å²	35.6	15%	0.152	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-29.7	-179.3	-61.6	176	0	0	0	112.5	W41 V67 N69 E74 A133 E134 L225	W41-L76 HydrophobicContact CH2-CB 4.36Å; W41-L76 HydrophobicContact CZ2-CD2 4.41Å; V67-L76 HydrophobicContact CG1-CD1 4.39Å; V67-L76 PolarHBondContact O-N 2.9Å; N69-L76 HydrophobicContact CB-CD1 4.22Å; N69-L76 HydrophobicContact CB-CD2 4.1Å; N69-L76 HydrophobicContact CB-CG 4.21Å; E74-L76 PolarHBondContact O-N 3.39Å; L76-A133 VanDerWaalsContact CD1-C 3.46Å; L76-A133 HydrophobicContact CD1-CB 3.96Å; L76-A133 WeakPolarHBondContact CD1-O 2.88Å; L76-A133 HydrophobicContact CD2-CB 3.96Å; L76-E134 HydrophobicContact CD1-CB 4.01Å; L76-L225 HydrophobicContact CB-CD1 4.1Å
77	G	95.8	Very high	97.1	Very high	18 Å²	18	32 Å²	32	19%	0.186	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.1	179.7	-175.1	0	0	0	0	0	112.1	V67 H75	V67-G77 PolarHBondContact N-O 2.87Å; H75-G77 VanDerWaalsContact NE2-C 3.33Å; H75-G77 PolarHBondContact NE2-O 2.97Å
78	S	97	Very high	97.1	Very high	32 Å²	32	35.6 Å²	35.6	22%	0.224	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.9	176.3	-51.8	0	0	0	0	110.6	N48 F65 H75	N48-S78 PolarHBondContact OD1-O 2.97Å; F65-S78 WeakPolarHBondContact O-CA 3.35Å; H75-S78 PolarHBondContact NE2-OG 3.28Å
79	V	97.7	Very high	97.1	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	154.2	177.2	-64.2	0	0	0	0	110.5	K64 F65 V67 A81 P224 L225 L228 T249	K64-V79 CarbonylContact C-O 3.58Å; K64-V79 WeakPolarHBondContact CA-O 3.13Å; K64-V79 WeakPolarHBondContact CB-O 3.42Å; F65-V79 HydrophobicContact CD1-CG2 3.95Å; F65-V79 HydrophobicContact CD2-CG2 3.85Å; F65-V79 HydrophobicContact CE1-CG2 3.48Å; F65-V79 VanDerWaalsContact CE1-CG2 3.48Å; F65-V79 HydrophobicContact CE2-CG2 3.34Å; F65-V79 HydrophobicContact CG-CG2 4.14Å; F65-V79 HydrophobicContact CZ-CG2 3.16Å; F65-V79 PolarHBondContact N-O 2.99Å; F65-V79 PolarHBondContact O-N 3.34Å; V67-V79 HydrophobicContact CG2-CG1 4.37Å; V67-V79 HydrophobicContact CG2-CG2 4.24Å; V79-A81 PolarHBondContact O-N 2.85Å; V79-P224 HydrophobicContact CB-CG 4.47Å; V79-P224 HydrophobicContact CG1-CB 4.44Å; V79-P224 HydrophobicContact CG1-CG 4.03Å; V79-P224 HydrophobicContact CG2-CB 4.28Å; V79-P224 HydrophobicContact CG2-CG 3.73Å; V79-L225 HydrophobicContact CG1-CD2 3.49Å; V79-L225 VanDerWaalsContact CG1-CD2 3.49Å; V79-L228 HydrophobicContact CB-CD1 4.36Å; V79-L228 HydrophobicContact CG1-CD1 3.59Å; V79-T249 HydrophobicContact CB-CG2 4.42Å
80	P	97.7	Very high	97.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	134.1	176.8	-29.3	39	0	0	0	113.1	N48 A50 F65 C82 T249	N48-P80 WeakPolarHBondContact O-CG 3.4Å; A50-P80 HydrophobicContact CB-CB 4.32Å; A50-P80 HydrophobicContact CB-CG 3.97Å; F65-P80 VanDerWaalsContact CE1-O 3.32Å; F65-P80 WeakPolarHBondContact CE1-O 3.13Å; P80-C82 VanDerWaalsContact C-N 3.35Å; P80-C82 PolarHBondContact O-N 2.7Å; P80-T249 CarbonylContact O-C 3.57Å; P80-T249 WeakPolarHBondContact O-CB 3.31Å; P80-T249 VanDerWaalsContact O-O 3.12Å; P80-T249 PolarHBondContact O-OG1 2.99Å
81	A	97.3	Very high	97.2	Very high	9 Å²	9	35 Å²	35	7%	0.074	20%	0.195	C	C	.	.			trans	-86.4	79.4	165.8	0	0	0	0	0	108.3	K63 F65 V79 A251	K63-A81 HydrophobicContact CB-CB 3.92Å; K63-A81 PolarHBondContact O-N 3.3Å; F65-A81 HydrophobicContact CD1-CB 3.96Å; V79-A81 PolarHBondContact O-N 2.85Å; A81-A251 HydrophobicContact CB-CB 4.09Å
82	C	97.3	Very high	97.2	Very high	4 Å²	4	39 Å²	39	3%	0.027	22%	0.216	C	C	.	.			trans	-70.1	155.5	177.6	-61	0	0	0	0	111.1	P80 E86 V248 T249	P80-C82 VanDerWaalsContact C-N 3.35Å; P80-C82 PolarHBondContact O-N 2.7Å; C82-E86 HydrophobicContact CB-CB 3.86Å; C82-E86 HydrophobicContact CB-CG 4.06Å; C82-V248 HydrophobicContact CB-CG1 3.49Å; C82-V248 VanDerWaalsContact CB-CG1 3.49Å; C82-T249 WeakPolarHBondContact CA-O 3.43Å; C82-T249 WeakPolarHBondContact CB-O 3.49Å; C82-T249 PolarHBondContact N-O 3.45Å
83	S	95.2	Very high	97.4	Very high	28 Å²	28	38.9 Å²	38.9	20%	0.196	22%	0.215	C	C	.	.			trans	-115.9	-172.3	179.8	72.5	0	0	0	0	111.3	N85 E86 C87	S83-N85 PolarHBondContact O-N 3.01Å; S83-N85 PolarHBondContact OG-N 2.92Å; S83-E86 WeakPolarHBondContact CA-OE2 3.12Å; S83-E86 WeakPolarHBondContact CB-OE2 3.47Å; S83-E86 PolarHBondContact N-OE2 2.83Å; S83-E86 PolarHBondContact O-N 3.29Å; S83-E86 PolarHBondContact OG-OE2 3.46Å; S83-C87 PolarHBondContact O-N 3.21Å
84	K	96.1	Very high	97.5	Very high	96 Å²	96	36.8 Å²	36.8	42%	0.417	19%	0.194	S	C	.	.	H	α-helix	trans	-51.2	-33.7	167.5	65	-176.7	-176.3	-177.8	0	114.1	C87 E88 E259 I263	K84-C87 WeakPolarHBondContact O-CB 3.26Å; K84-C87 PolarHBondContact O-N 3.3Å; K84-E88 WeakPolarHBondContact O-CG 3.42Å; K84-E88 PolarHBondContact O-N 3.3Å; K84-E259 HydrophobicContact CB-CB 4.31Å; K84-E259 PolarHBondContact N-OE2 3Å; K84-I263 HydrophobicContact CB-CD1 4.15Å; K84-I263 HydrophobicContact CB-CG1 3.77Å
85	N	97.1	Very high	97.6	Very high	77 Å²	77	32.3 Å²	32.3	41%	0.412	18%	0.175	S	C	.	.	H	α-helix	trans	-67.1	-46	-174.1	-66.4	-18.2	0	0	0	111.7	L60 S83 C87 E88 I89	L60-N85 HydrophobicContact CD1-CB 3.9Å; S83-N85 PolarHBondContact O-N 3.01Å; S83-N85 PolarHBondContact OG-N 2.92Å; N85-C87 VanDerWaalsContact C-N 3.27Å; N85-C87 PolarHBondContact O-N 3.35Å; N85-E88 PolarHBondContact O-N 3.14Å; N85-I89 WeakPolarHBondContact O-CG1 3.25Å; N85-I89 PolarHBondContact O-N 3.32Å
86	E	98	Very high	97.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-33.4	174.7	-66.5	85.8	168	0	0	111.6	Y52 L60 C82 S83 I89 S90 V248	Y52-E86 HydrophobicContact CD1-CB 4.23Å; Y52-E86 HydrophobicContact CD1-CG 4.32Å; Y52-E86 HydrophobicContact CD2-CB 3.75Å; Y52-E86 HydrophobicContact CD2-CG 4.11Å; Y52-E86 HydrophobicContact CE1-CB 4.25Å; Y52-E86 HydrophobicContact CE1-CG 3.84Å; Y52-E86 HydrophobicContact CE2-CB 3.79Å; Y52-E86 HydrophobicContact CE2-CG 3.62Å; Y52-E86 HydrophobicContact CG-CB 3.99Å; Y52-E86 HydrophobicContact CG-CG 4.44Å; Y52-E86 VanDerWaalsContact CZ-CG 3.46Å; L60-E86 VanDerWaalsContact CB-OE1 3.25Å; L60-E86 WeakPolarHBondContact CB-OE1 3.27Å; L60-E86 HydrophobicContact CD1-CG 4.1Å; L60-E86 HydrophobicContact CG-CG 3.95Å; L60-E86 VanDerWaalsContact CG-OE1 3.31Å; L60-E86 WeakPolarHBondContact CG-OE1 3.36Å; L60-E86 PolarHBondContact N-OE1 3.34Å; C82-E86 HydrophobicContact CB-CB 3.86Å; C82-E86 HydrophobicContact CB-CG 4.06Å; S83-E86 WeakPolarHBondContact CA-OE2 3.12Å; S83-E86 WeakPolarHBondContact CB-OE2 3.47Å; S83-E86 PolarHBondContact N-OE2 2.83Å; S83-E86 PolarHBondContact O-N 3.29Å; S83-E86 PolarHBondContact OG-OE2 3.46Å; E86-I89 PolarHBondContact O-N 3.34Å; E86-S90 WeakPolarHBondContact O-CB 3.24Å; E86-S90 PolarHBondContact O-N 2.97Å; E86-V248 HydrophobicContact CB-CG1 4.46Å
87	C	98.4	Very high	97.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-45	173.2	-166.2	0	0	0	0	111.7	S83 K84 N85 S90 V91 I260 I263	S83-C87 PolarHBondContact O-N 3.21Å; K84-C87 WeakPolarHBondContact O-CB 3.26Å; K84-C87 PolarHBondContact O-N 3.3Å; N85-C87 VanDerWaalsContact C-N 3.27Å; N85-C87 PolarHBondContact O-N 3.35Å; C87-S90 CarbonylContact O-C 3.57Å; C87-S90 WeakPolarHBondContact O-CA 3.39Å; C87-S90 VanDerWaalsContact O-CB 3.31Å; C87-S90 WeakPolarHBondContact O-CB 3.35Å; C87-S90 PolarHBondContact O-N 3Å; C87-S90 VanDerWaalsContact O-N 3.12Å; C87-V91 WeakPolarHBondContact O-CG2 3.33Å; C87-V91 PolarHBondContact O-N 3.11Å; C87-I260 HydrophobicContact CB-CG1 4.11Å; C87-I263 HydrophobicContact CB-CB 4.37Å; C87-I263 HydrophobicContact CB-CG2 4.11Å; C87-I263 VanDerWaalsContact SG-CG2 3.55Å
88	E	98.4	Very high	97.9	Very high	78 Å²	78	31.1 Å²	31.1	36%	0.364	17%	0.172	S	C	.	.	H	α-helix	trans	-62.6	-42.2	175.9	-73.7	179.8	-172.8	0	0	112.2	K84 N85 S90 V91 N92 I263	K84-E88 WeakPolarHBondContact O-CG 3.42Å; K84-E88 PolarHBondContact O-N 3.3Å; N85-E88 PolarHBondContact O-N 3.14Å; E88-S90 VanDerWaalsContact C-N 3.26Å; E88-S90 PolarHBondContact O-N 3.25Å; E88-V91 PolarHBondContact O-N 2.86Å; E88-N92 PolarHBondContact O-N 2.84Å; E88-N92 PolarHBondContact O-ND2 3.43Å; E88-N92 VanDerWaalsContact O-ND2 3.15Å; E88-I263 HydrophobicContact CG-CD1 4.13Å; E88-I263 HydrophobicContact CG-CG2 4.29Å
89	I	98.5	Very high	98	Very high	58 Å²	58	35.8 Å²	35.8	30%	0.297	19%	0.188	S	C	.	.	H	α-helix	trans	-55.8	-46.4	171.5	-69.5	168	0	0	0	109.8	Y52 L60 N85 E86 V91 N92 V93	Y52-I89 HydrophobicContact CD2-CB 4.27Å; Y52-I89 HydrophobicContact CD2-CG2 3.99Å; Y52-I89 HydrophobicContact CE2-CB 4.45Å; Y52-I89 HydrophobicContact CE2-CD1 4.2Å; Y52-I89 HydrophobicContact CE2-CG2 4.18Å; L60-I89 HydrophobicContact CD1-CD1 3.88Å; N85-I89 WeakPolarHBondContact O-CG1 3.25Å; N85-I89 PolarHBondContact O-N 3.32Å; E86-I89 PolarHBondContact O-N 3.34Å; I89-V91 PolarHBondContact O-N 3.1Å; I89-N92 PolarHBondContact O-N 3.22Å; I89-V93 HydrophobicContact CG2-CG2 4.44Å; I89-V93 WeakPolarHBondContact O-CG2 3.44Å; I89-V93 PolarHBondContact O-N 2.89Å
90	S	98.6	Very high	98	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-41.2	179.1	-161	0	0	0	0	113.2	Y52 E86 C87 E88 N92 A94 N246	Y52-S90 WeakPolarHBondContact O-CA 3.35Å; Y52-S90 VanDerWaalsContact O-CB 3.26Å; Y52-S90 WeakPolarHBondContact O-CB 3.35Å; Y52-S90 PolarHBondContact O-OG 2.95Å; E86-S90 WeakPolarHBondContact O-CB 3.24Å; E86-S90 PolarHBondContact O-N 2.97Å; C87-S90 CarbonylContact O-C 3.57Å; C87-S90 WeakPolarHBondContact O-CA 3.39Å; C87-S90 VanDerWaalsContact O-CB 3.31Å; C87-S90 WeakPolarHBondContact O-CB 3.35Å; C87-S90 PolarHBondContact O-N 3Å; C87-S90 VanDerWaalsContact O-N 3.12Å; E88-S90 VanDerWaalsContact C-N 3.26Å; E88-S90 PolarHBondContact O-N 3.25Å; S90-N92 PolarHBondContact O-N 3.31Å; S90-A94 WeakPolarHBondContact O-CB 3.33Å; S90-A94 PolarHBondContact O-N 3.5Å; S90-N246 WeakPolarHBondContact OG-CB 3.21Å; S90-N246 VanDerWaalsContact OG-CG 3.25Å
91	V	98.8	Very high	98	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-43.4	176	176.2	0	0	0	0	111.7	C87 E88 I89 S95 I216 I263 H267 I269 V270	C87-V91 WeakPolarHBondContact O-CG2 3.33Å; C87-V91 PolarHBondContact O-N 3.11Å; E88-V91 PolarHBondContact O-N 2.86Å; I89-V91 PolarHBondContact O-N 3.1Å; V91-S95 WeakPolarHBondContact O-CB 3.1Å; V91-S95 PolarHBondContact O-N 3.47Å; V91-I216 HydrophobicContact CB-CD1 4.03Å; V91-I216 HydrophobicContact CG2-CD1 3.4Å; V91-I216 VanDerWaalsContact CG2-CD1 3.4Å; V91-I263 HydrophobicContact CG2-CG2 4.41Å; V91-H267 WeakPolarHBondContact CG1-ND1 3.31Å; V91-I269 HydrophobicContact CG1-CB 3.69Å; V91-I269 HydrophobicContact CG1-CD1 4.34Å; V91-I269 HydrophobicContact CG1-CG2 3.68Å; V91-V270 HydrophobicContact CG1-CG2 4.02Å; V91-V270 HydrophobicContact CG2-CG2 3.79Å
92	N	98.5	Very high	98.1	Very high	83 Å²	83	46.9 Å²	46.9	44%	0.444	23%	0.233	S	C	.	.	H	α-helix	trans	-66.4	-46.6	179.8	-71	-36.5	0	0	0	111.9	E88 I89 S90 S95 V96	E88-N92 PolarHBondContact O-N 2.84Å; E88-N92 PolarHBondContact O-ND2 3.43Å; E88-N92 VanDerWaalsContact O-ND2 3.15Å; I89-N92 PolarHBondContact O-N 3.22Å; S90-N92 PolarHBondContact O-N 3.31Å; N92-S95 WeakPolarHBondContact O-CB 3.23Å; N92-S95 PolarHBondContact O-N 3.35Å; N92-V96 PolarHBondContact O-N 2.85Å
93	V	98.6	Very high	98.1	Very high	38 Å²	38	52.9 Å²	52.9	23%	0.23	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-46.3	176.9	170.5	0	0	0	0	110.7	I89 S95 V96 S97	I89-V93 HydrophobicContact CG2-CG2 4.44Å; I89-V93 WeakPolarHBondContact O-CG2 3.44Å; I89-V93 PolarHBondContact O-N 2.89Å; V93-S95 VanDerWaalsContact C-N 3.28Å; V93-S95 PolarHBondContact O-N 3.32Å; V93-V96 PolarHBondContact O-N 3.43Å; V93-V96 VanDerWaalsContact O-N 3.14Å; V93-S97 PolarHBondContact O-N 2.92Å; V93-S97 PolarHBondContact O-OG 2.85Å
94	A	98.8	Very high	98.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-40.5	176.4	0	0	0	0	0	112	S90 V96 S97 Q98 V187 S214 I216 G243	S90-A94 WeakPolarHBondContact O-CB 3.33Å; S90-A94 PolarHBondContact O-N 3.5Å; A94-V96 VanDerWaalsContact C-N 3.31Å; A94-V96 PolarHBondContact O-N 2.9Å; A94-S97 PolarHBondContact O-N 3.28Å; A94-Q98 WeakPolarHBondContact O-CB 3.28Å; A94-Q98 PolarHBondContact O-N 2.88Å; A94-V187 HydrophobicContact CB-CG1 3.86Å; A94-V187 HydrophobicContact CB-CG2 4.34Å; A94-S214 PolarHBondContact O-OG 3.43Å; A94-I216 HydrophobicContact CB-CD1 4.19Å; A94-I216 HydrophobicContact CB-CG1 4.09Å; A94-G243 VanDerWaalsContact CA-O 3.3Å; A94-G243 WeakPolarHBondContact CA-O 3.26Å
95	S	98.6	Very high	98.3	Very high	24 Å²	24	54.5 Å²	54.5	17%	0.168	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-36.3	177.3	-171	0	0	0	0	113.9	V91 N92 V93 K99	V91-S95 WeakPolarHBondContact O-CB 3.1Å; V91-S95 PolarHBondContact O-N 3.47Å; N92-S95 WeakPolarHBondContact O-CB 3.23Å; N92-S95 PolarHBondContact O-N 3.35Å; V93-S95 VanDerWaalsContact C-N 3.28Å; V93-S95 PolarHBondContact O-N 3.32Å; S95-K99 WeakPolarHBondContact O-CG 3.22Å
96	V	98.5	Very high	98.3	Very high	89 Å²	89	53.6 Å²	53.6	54%	0.539	27%	0.273	S	S	.	.	H	α-helix	trans	-74.3	-53.7	178.4	175.6	0	0	0	0	109.1	N92 V93 A94 Q98 K99	N92-V96 PolarHBondContact O-N 2.85Å; V93-V96 PolarHBondContact O-N 3.43Å; V93-V96 VanDerWaalsContact O-N 3.14Å; A94-V96 VanDerWaalsContact C-N 3.31Å; A94-V96 PolarHBondContact O-N 2.9Å; V96-Q98 VanDerWaalsContact C-N 3.26Å; V96-Q98 PolarHBondContact O-N 3.11Å; V96-K99 WeakPolarHBondContact O-CB 3.42Å; V96-K99 PolarHBondContact O-N 3.42Å; V96-K99 VanDerWaalsContact O-N 3.11Å
97	S	98.5	Very high	98.4	Very high	16 Å²	16	55 Å²	55	11%	0.112	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-32	-177.8	-56.2	0	0	0	0	112.9	V93 A94 K99 E100 W101 P242	V93-S97 PolarHBondContact O-N 2.92Å; V93-S97 PolarHBondContact O-OG 2.85Å; A94-S97 PolarHBondContact O-N 3.28Å; S97-K99 VanDerWaalsContact C-N 3.33Å; S97-K99 PolarHBondContact O-N 3.21Å; S97-E100 PolarHBondContact O-N 3.39Å; S97-W101 WeakPolarHBondContact O-CB 3.42Å; S97-W101 PolarHBondContact O-N 3.23Å; S97-P242 VanDerWaalsContact CB-O 3.3Å; S97-P242 WeakPolarHBondContact CB-O 3.37Å; S97-P242 PolarHBondContact OG-O 3.26Å
98	Q	98.6	Very high	98.4	Very high	18 Å²	18	58.8 Å²	58.8	8%	0.084	31%	0.305	C	S	.	.	H	α-helix	trans	-63.7	-36.7	176.8	-167.5	-85.9	-32.9	0	0	112.8	A94 V96 E100 W101 R102 V187 G212 S214	A94-Q98 WeakPolarHBondContact O-CB 3.28Å; A94-Q98 PolarHBondContact O-N 2.88Å; V96-Q98 VanDerWaalsContact C-N 3.26Å; V96-Q98 PolarHBondContact O-N 3.11Å; Q98-E100 VanDerWaalsContact C-N 3.28Å; Q98-E100 PolarHBondContact O-N 2.94Å; Q98-W101 PolarHBondContact O-N 3.11Å; Q98-R102 WeakPolarHBondContact O-CG 3.37Å; Q98-R102 PolarHBondContact O-N 3.42Å; Q98-V187 HydrophobicContact CB-CG2 4.43Å; Q98-G212 PolarHBondContact NE2-O 3.37Å; Q98-S214 WeakPolarHBondContact CB-OG 3.26Å
99	K	98.5	Very high	98.4	Very high	130 Å²	130	55.9 Å²	55.9	57%	0.565	29%	0.291	S	S	*	.	H	α-helix	trans	-64.3	-36.1	178.9	-70.8	174.1	-177.6	175.8	0	111.6	S95 V96 S97 R102 L103	S95-K99 WeakPolarHBondContact O-CG 3.22Å; V96-K99 WeakPolarHBondContact O-CB 3.42Å; V96-K99 PolarHBondContact O-N 3.42Å; V96-K99 VanDerWaalsContact O-N 3.11Å; S97-K99 VanDerWaalsContact C-N 3.33Å; S97-K99 PolarHBondContact O-N 3.21Å; K99-R102 VanDerWaalsContact O-CG 3.25Å; K99-R102 WeakPolarHBondContact O-CG 3.37Å; K99-L103 WeakPolarHBondContact O-CG 3.47Å
100	E	98.1	Very high	98.4	Very high	133 Å²	133	53.7 Å²	53.7	62%	0.621	28%	0.281	S	S	*	.	H	α-helix	trans	-75.4	-42.7	173.9	-61	-177.7	162.8	0	0	110.9	S97 Q98 R102 L103	S97-E100 PolarHBondContact O-N 3.39Å; Q98-E100 VanDerWaalsContact C-N 3.28Å; Q98-E100 PolarHBondContact O-N 2.94Å; E100-R102 PolarHBondContact O-N 3.39Å; E100-L103 WeakPolarHBondContact O-CB 3.33Å; E100-L103 PolarHBondContact O-N 2.93Å; E100-L103 VanDerWaalsContact O-N 3.11Å
101	W	98.6	Very high	98.4	Very high	6 Å²	6	57.5 Å²	57.5	2%	0.023	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-41.1	-179.1	-175.9	-123	0	0	0	113.3	S97 Q98 L103 K104 R109 V112 L209 C213 P241 V244	S97-W101 WeakPolarHBondContact O-CB 3.42Å; S97-W101 PolarHBondContact O-N 3.23Å; Q98-W101 PolarHBondContact O-N 3.11Å; W101-L103 PolarHBondContact O-N 2.85Å; W101-K104 HydrophobicContact CE3-CB 4.32Å; W101-K104 HydrophobicContact CE3-CG 3.79Å; W101-K104 HydrophobicContact CZ3-CB 4.45Å; W101-K104 HydrophobicContact CZ3-CG 4.04Å; W101-K104 VanDerWaalsContact O-CB 3.28Å; W101-K104 WeakPolarHBondContact O-CB 3.46Å; W101-K104 PolarHBondContact O-N 3.5Å; W101-K104 VanDerWaalsContact O-N 3.11Å; W101-R109 HydrophobicContact CD2-CG 4.35Å; W101-R109 HydrophobicContact CH2-CB 3.94Å; W101-R109 HydrophobicContact CH2-CG 3.72Å; W101-R109 HydrophobicContact CZ2-CB 3.71Å; W101-R109 HydrophobicContact CZ2-CG 3.48Å; W101-R109 VanDerWaalsContact CZ2-CG 3.48Å; W101-R109 HydrophobicContact CZ3-CG 4.23Å; W101-V112 HydrophobicContact CH2-CB 4.08Å; W101-V112 HydrophobicContact CH2-CG1 4.3Å; W101-V112 HydrophobicContact CH2-CG2 4.26Å; W101-L209 PolarHBondContact NE1-O 2.83Å; W101-C213 VanDerWaalsContact CD1-O 3.28Å; W101-P241 HydrophobicContact CE3-CG 4.03Å; W101-P241 HydrophobicContact CZ3-CG 4.14Å; W101-V244 HydrophobicContact CB-CG2 3.74Å; W101-V244 HydrophobicContact CD2-CG1 4.05Å; W101-V244 HydrophobicContact CD2-CG2 4.25Å; W101-V244 HydrophobicContact CG-CG1 3.9Å; W101-V244 HydrophobicContact CG-CG2 3.92Å
102	R	97.8	Very high	98.4	Very high	105 Å²	105	58.9 Å²	58.9	40%	0.396	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.1	177.2	68.7	-180	-67.3	-82.5	-1.1	113.9	Q98 K99 E100 P184	Q98-R102 WeakPolarHBondContact O-CG 3.37Å; Q98-R102 PolarHBondContact O-N 3.42Å; K99-R102 VanDerWaalsContact O-CG 3.25Å; K99-R102 WeakPolarHBondContact O-CG 3.37Å; E100-R102 PolarHBondContact O-N 3.39Å; R102-P184 HydrophobicContact CB-CG 3.93Å
103	L	97.8	Very high	98.4	Very high	131 Å²	131	54.9 Å²	54.9	69%	0.686	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-18.2	176.2	-64.6	174.1	0	0	0	112.3	K99 E100 W101 T105	K99-L103 WeakPolarHBondContact O-CG 3.47Å; E100-L103 WeakPolarHBondContact O-CB 3.33Å; E100-L103 PolarHBondContact O-N 2.93Å; E100-L103 VanDerWaalsContact O-N 3.11Å; W101-L103 PolarHBondContact O-N 2.85Å; L103-T105 PolarHBondContact O-N 3.23Å
104	K	98.2	Very high	98.4	Very high	85 Å²	85	56.7 Å²	56.7	37%	0.37	30%	0.297	S	S	.	.	S	Bend	trans	-60.6	137.3	170.9	-64.4	-57.8	-165.5	173.6	0	110	W101 E108 R109	W101-K104 HydrophobicContact CE3-CB 4.32Å; W101-K104 HydrophobicContact CE3-CG 3.79Å; W101-K104 HydrophobicContact CZ3-CB 4.45Å; W101-K104 HydrophobicContact CZ3-CG 4.04Å; W101-K104 VanDerWaalsContact O-CB 3.28Å; W101-K104 WeakPolarHBondContact O-CB 3.46Å; W101-K104 PolarHBondContact O-N 3.5Å; W101-K104 VanDerWaalsContact O-N 3.11Å; K104-E108 HydrophobicContact CB-CB 4.17Å; K104-E108 HydrophobicContact CD-CB 4.45Å; K104-E108 WeakPolarHBondContact CD-OE1 3.46Å; K104-E108 IonicContact NZ-OE1 3.76Å; K104-E108 PolarHBondContact NZ-OE1 2.96Å; K104-R109 HydrophobicContact CB-CG 3.85Å; K104-R109 PolarHBondContact O-NH1 3.45Å
105	T	98	Very high	98.4	Very high	73 Å²	73	61.6 Å²	61.6	45%	0.448	32%	0.319	S	S	.	.			trans	-61.3	152.8	175.2	62.1	0	0	0	0	110.3	L103 G107 E108 R109	L103-T105 PolarHBondContact O-N 3.23Å; T105-G107 PolarHBondContact O-N 3.13Å; T105-G107 VanDerWaalsContact O-N 3.14Å; T105-E108 PolarHBondContact N-OE2 3.27Å; T105-E108 PolarHBondContact O-N 2.8Å; T105-E108 VanDerWaalsContact O-N 3.09Å; T105-E108 WeakPolarHBondContact OG1-CG 3.47Å; T105-E108 PolarHBondContact OG1-N 3.29Å; T105-E108 VanDerWaalsContact OG1-N 3.15Å; T105-E108 PolarHBondContact OG1-OE2 3.42Å; T105-R109 PolarHBondContact O-N 2.92Å
106	P	97.6	Very high	98.4	Very high	57 Å²	57	60.4 Å²	60.4	37%	0.37	31%	0.311	S	S	.	.	H	α-helix	trans	-46.8	-38.2	168.6	-34.9	40.6	0	0	0	114.3	S110 A160	P106-S110 WeakPolarHBondContact O-CB 3.36Å; P106-S110 PolarHBondContact O-N 2.77Å; P106-A160 WeakPolarHBondContact CB-O 3.11Å
107	G	98.5	Very high	98.4	Very high	32 Å²	32	56.2 Å²	56.2	33%	0.33	29%	0.285	S	S	.	.	H	α-helix	trans	-65.8	-45.6	176.8	0	0	0	0	0	113.2	T105 S110 S111	T105-G107 PolarHBondContact O-N 3.13Å; T105-G107 VanDerWaalsContact O-N 3.14Å; G107-S110 WeakPolarHBondContact O-CB 3.31Å; G107-S110 PolarHBondContact O-N 3.01Å; G107-S111 PolarHBondContact O-N 3.22Å; G107-S111 PolarHBondContact O-OG 3.37Å
108	E	98.4	Very high	98.5	Very high	78 Å²	78	57.9 Å²	57.9	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-62.1	-44	175.4	-74.4	168.4	105.2	0	0	111.7	K104 T105 S111 V112	K104-E108 HydrophobicContact CB-CB 4.17Å; K104-E108 HydrophobicContact CD-CB 4.45Å; K104-E108 WeakPolarHBondContact CD-OE1 3.46Å; K104-E108 IonicContact NZ-OE1 3.76Å; K104-E108 PolarHBondContact NZ-OE1 2.96Å; T105-E108 PolarHBondContact N-OE2 3.27Å; T105-E108 PolarHBondContact O-N 2.8Å; T105-E108 VanDerWaalsContact O-N 3.09Å; T105-E108 WeakPolarHBondContact OG1-CG 3.47Å; T105-E108 PolarHBondContact OG1-N 3.29Å; T105-E108 VanDerWaalsContact OG1-N 3.15Å; T105-E108 PolarHBondContact OG1-OE2 3.42Å; E108-S111 PolarHBondContact O-N 2.92Å; E108-V112 PolarHBondContact O-N 2.83Å
109	R	98.5	Very high	98.5	Very high	17 Å²	17	57.4 Å²	57.4	6%	0.064	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-45	177	-61	-160.3	-56.8	-88.3	2.4	111.4	W101 K104 T105 S111 V112 I113 A210	W101-R109 HydrophobicContact CD2-CG 4.35Å; W101-R109 HydrophobicContact CH2-CB 3.94Å; W101-R109 HydrophobicContact CH2-CG 3.72Å; W101-R109 HydrophobicContact CZ2-CB 3.71Å; W101-R109 HydrophobicContact CZ2-CG 3.48Å; W101-R109 VanDerWaalsContact CZ2-CG 3.48Å; W101-R109 HydrophobicContact CZ3-CG 4.23Å; K104-R109 HydrophobicContact CB-CG 3.85Å; K104-R109 PolarHBondContact O-NH1 3.45Å; T105-R109 PolarHBondContact O-N 2.92Å; R109-S111 VanDerWaalsContact C-N 3.33Å; R109-S111 PolarHBondContact O-N 3.3Å; R109-V112 PolarHBondContact O-N 3.48Å; R109-I113 WeakPolarHBondContact O-CG1 3.26Å; R109-I113 PolarHBondContact O-N 3.3Å; R109-A210 PolarHBondContact NE-O 3.48Å; R109-A210 PolarHBondContact NH2-O 3.22Å
110	S	98.6	Very high	98.5	Very high	12 Å²	12	51.2 Å²	51.2	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-52.7	-49.1	173.9	-178	0	0	0	0	111.7	P106 G107 V112 I113 R114 A157	P106-S110 WeakPolarHBondContact O-CB 3.36Å; P106-S110 PolarHBondContact O-N 2.77Å; G107-S110 WeakPolarHBondContact O-CB 3.31Å; G107-S110 PolarHBondContact O-N 3.01Å; S110-V112 PolarHBondContact O-N 3.19Å; S110-I113 PolarHBondContact O-N 3.21Å; S110-R114 VanDerWaalsContact O-CB 3.23Å; S110-R114 WeakPolarHBondContact O-CB 3.38Å; S110-R114 PolarHBondContact O-N 2.89Å; S110-A157 WeakPolarHBondContact CB-O 3.48Å; S110-A157 PolarHBondContact OG-O 3.27Å
111	S	98.7	Very high	98.5	Very high	81 Å²	81	49.8 Å²	49.8	57%	0.566	25%	0.253	S	S	*	.	H	α-helix	trans	-61.6	-42.3	-179.5	-66.3	0	0	0	0	113.2	G107 E108 R109 K115	G107-S111 PolarHBondContact O-N 3.22Å; G107-S111 PolarHBondContact O-OG 3.37Å; E108-S111 PolarHBondContact O-N 2.92Å; R109-S111 VanDerWaalsContact C-N 3.33Å; R109-S111 PolarHBondContact O-N 3.3Å; S111-K115 WeakPolarHBondContact O-CB 3.43Å; S111-K115 PolarHBondContact O-N 3.19Å
112	V	98.7	Very high	98.5	Very high	28 Å²	28	56.6 Å²	56.6	17%	0.17	29%	0.285	C	S	.	.	H	α-helix	trans	-67.1	-45.3	178.8	174.6	0	0	0	0	111.2	W101 E108 R109 S110 R114 K115 W116 I240	W101-V112 HydrophobicContact CH2-CB 4.08Å; W101-V112 HydrophobicContact CH2-CG1 4.3Å; W101-V112 HydrophobicContact CH2-CG2 4.26Å; E108-V112 PolarHBondContact O-N 2.83Å; R109-V112 PolarHBondContact O-N 3.48Å; S110-V112 PolarHBondContact O-N 3.19Å; V112-R114 PolarHBondContact O-N 3.27Å; V112-K115 PolarHBondContact O-N 3.45Å; V112-W116 PolarHBondContact O-N 2.87Å; V112-I240 HydrophobicContact CG1-CB 4.43Å; V112-I240 HydrophobicContact CG1-CG1 3.71Å
113	I	98.8	Very high	98.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.1	-39.8	179.5	-63.4	167.4	0	0	0	110.7	R109 S110 K115 W116 A117 L153 A157 L209 A210	R109-I113 WeakPolarHBondContact O-CG1 3.26Å; R109-I113 PolarHBondContact O-N 3.3Å; S110-I113 PolarHBondContact O-N 3.21Å; I113-K115 VanDerWaalsContact C-N 3.35Å; I113-K115 PolarHBondContact O-N 2.99Å; I113-W116 WeakPolarHBondContact O-CB 3.35Å; I113-W116 PolarHBondContact O-N 3.12Å; I113-A117 PolarHBondContact O-N 2.96Å; I113-L153 HydrophobicContact CG2-CB 4.1Å; I113-L153 HydrophobicContact CG2-CD2 4.16Å; I113-L153 WeakPolarHBondContact CG2-O 3.08Å; I113-A157 HydrophobicContact CB-CB 4.09Å; I113-A157 HydrophobicContact CG2-CB 3.95Å; I113-L209 HydrophobicContact CD1-CB 4.02Å; I113-L209 HydrophobicContact CG1-CB 4.36Å; I113-A210 VanDerWaalsContact CD1-CA 3.43Å; I113-A210 HydrophobicContact CD1-CB 3.73Å; I113-A210 VanDerWaalsContact CD1-N 3.3Å
114	R	98.8	Very high	98.6	Very high	75 Å²	75	47.6 Å²	47.6	28%	0.283	25%	0.246	S	C	.	.	H	α-helix	trans	-59.1	-46.1	173.4	178.6	66.9	-133.1	-174.8	10	111.5	S110 V112 W116 A117 D118 R121 E154 A157	S110-R114 VanDerWaalsContact O-CB 3.23Å; S110-R114 WeakPolarHBondContact O-CB 3.38Å; S110-R114 PolarHBondContact O-N 2.89Å; V112-R114 PolarHBondContact O-N 3.27Å; R114-W116 VanDerWaalsContact C-N 3.27Å; R114-W116 PolarHBondContact O-N 3.47Å; R114-A117 VanDerWaalsContact O-CB 3.27Å; R114-A117 WeakPolarHBondContact O-CB 3.08Å; R114-A117 PolarHBondContact O-N 3.28Å; R114-A117 VanDerWaalsContact O-N 3.16Å; R114-D118 IonicContact CZ-OD1 2.88Å; R114-D118 IonicContact NE-OD1 3.38Å; R114-D118 PolarHBondContact NE-OD1 3.06Å; R114-D118 IonicContact NE-OD2 3.07Å; R114-D118 IonicContact NH2-OD1 3.2Å; R114-D118 PolarHBondContact NH2-OD1 2.84Å; R114-D118 VanDerWaalsContact O-CG 3.3Å; R114-D118 PolarHBondContact O-N 3.15Å; R114-R121 VanDerWaalsContact NH2-NH1 3.1Å; R114-E154 IonicContact CZ-OE1 3.81Å; R114-E154 VanDerWaalsContact NH1-CD 3.27Å; R114-E154 IonicContact NH1-OE1 3.47Å; R114-E154 PolarHBondContact NH1-OE1 3.3Å; R114-E154 IonicContact NH2-OE1 3.99Å; R114-E154 PolarHBondContact NH2-OE1 3.48Å; R114-A157 HydrophobicContact CB-CB 4.08Å
115	K	98.8	Very high	98.6	Very high	103 Å²	103	48.9 Å²	48.9	45%	0.448	26%	0.257	S	S	.	.	H	α-helix	trans	-64	-34.5	177	-167.8	176.2	165	-152.3	0	111.7	S111 V112 I113 D118 T119 K237 A238	S111-K115 WeakPolarHBondContact O-CB 3.43Å; S111-K115 PolarHBondContact O-N 3.19Å; V112-K115 PolarHBondContact O-N 3.45Å; I113-K115 VanDerWaalsContact C-N 3.35Å; I113-K115 PolarHBondContact O-N 2.99Å; K115-D118 PolarHBondContact O-N 3.25Å; K115-T119 VanDerWaalsContact O-CG2 3.27Å; K115-T119 WeakPolarHBondContact O-CG2 3.3Å; K115-T119 PolarHBondContact O-N 2.8Å; K115-T119 PolarHBondContact O-OG1 3.05Å; K115-K237 WeakPolarHBondContact CE-O 3.47Å; K115-K237 PolarHBondContact NZ-O 3.4Å; K115-A238 HydrophobicContact CB-CB 4.2Å; K115-A238 WeakPolarHBondContact CD-O 3.41Å; K115-A238 HydrophobicContact CG-CB 4.19Å; K115-A238 PolarHBondContact NZ-O 3.26Å
116	W	98.9	Very high	98.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-46	172	-171.7	23.4	0	0	0	111.6	V112 I113 R114 D118 T119 I120 L153 T202 V205 L209 I230 A238 I240 L245	V112-W116 PolarHBondContact O-N 2.87Å; I113-W116 WeakPolarHBondContact O-CB 3.35Å; I113-W116 PolarHBondContact O-N 3.12Å; R114-W116 VanDerWaalsContact C-N 3.27Å; R114-W116 PolarHBondContact O-N 3.47Å; W116-D118 VanDerWaalsContact C-N 3.29Å; W116-D118 PolarHBondContact O-N 2.94Å; W116-T119 WeakPolarHBondContact CA-OG1 3.3Å; W116-T119 PolarHBondContact O-N 3.44Å; W116-T119 PolarHBondContact O-OG1 3.4Å; W116-I120 WeakPolarHBondContact O-CG1 3.48Å; W116-I120 PolarHBondContact O-N 3.5Å; W116-L153 HydrophobicContact CB-CD1 4.16Å; W116-L153 HydrophobicContact CD2-CD1 3.57Å; W116-L153 HydrophobicContact CD2-CD2 4.25Å; W116-L153 HydrophobicContact CE3-CD1 3.72Å; W116-L153 HydrophobicContact CE3-CD2 3.5Å; W116-L153 VanDerWaalsContact CE3-CD2 3.5Å; W116-L153 HydrophobicContact CE3-CG 4.26Å; W116-L153 HydrophobicContact CG-CD1 3.78Å; W116-L153 HydrophobicContact CH2-CD2 4.4Å; W116-L153 HydrophobicContact CZ3-CD1 4.36Å; W116-L153 HydrophobicContact CZ3-CD2 3.59Å; W116-T202 HydrophobicContact CZ2-CG2 4.49Å; W116-V205 HydrophobicContact CH2-CB 4.46Å; W116-V205 HydrophobicContact CH2-CG1 3.99Å; W116-V205 HydrophobicContact CZ3-CG1 4.08Å; W116-L209 HydrophobicContact CZ3-CD1 4.33Å; W116-I230 HydrophobicContact CZ2-CB 4.46Å; W116-I230 HydrophobicContact CZ2-CG1 4.46Å; W116-I230 PolarHBondContact NE1-O 3.08Å; W116-A238 VanDerWaalsContact CA-CB 3.45Å; W116-A238 HydrophobicContact CB-CB 3.73Å; W116-A238 HydrophobicContact CG-CB 4.42Å; W116-I240 HydrophobicContact CD2-CD1 3.83Å; W116-I240 HydrophobicContact CE3-CD1 3.74Å; W116-I240 HydrophobicContact CG-CD1 4.25Å; W116-I240 HydrophobicContact CZ3-CD1 4.16Å; W116-L245 HydrophobicContact CH2-CD2 4.16Å; W116-L245 HydrophobicContact CZ2-CD2 4.15Å
117	A	98.9	Very high	98.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55.4	-44.3	172.5	0	0	0	0	0	112.1	I113 R114 I120 R121 V150 L153 E154	I113-A117 PolarHBondContact O-N 2.96Å; R114-A117 VanDerWaalsContact O-CB 3.27Å; R114-A117 WeakPolarHBondContact O-CB 3.08Å; R114-A117 PolarHBondContact O-N 3.28Å; R114-A117 VanDerWaalsContact O-N 3.16Å; A117-I120 PolarHBondContact O-N 3.22Å; A117-R121 WeakPolarHBondContact O-CB 3Å; A117-R121 PolarHBondContact O-N 2.93Å; A117-V150 HydrophobicContact CB-CG1 4.21Å; A117-L153 HydrophobicContact CB-CB 3.62Å; A117-L153 HydrophobicContact CB-CD1 4.28Å; A117-E154 HydrophobicContact CB-CG 3.92Å
118	D	98.9	Very high	98.7	Very high	52 Å²	52	42.2 Å²	42.2	28%	0.278	21%	0.21	S	C	.	.	H	α-helix	trans	-65.1	-41.5	179.5	-63.4	-29.6	0	0	0	112.1	R114 K115 W116 I120 R121 Q122	R114-D118 IonicContact CZ-OD1 2.88Å; R114-D118 IonicContact NE-OD1 3.38Å; R114-D118 PolarHBondContact NE-OD1 3.06Å; R114-D118 IonicContact NE-OD2 3.07Å; R114-D118 IonicContact NH2-OD1 3.2Å; R114-D118 PolarHBondContact NH2-OD1 2.84Å; R114-D118 VanDerWaalsContact O-CG 3.3Å; R114-D118 PolarHBondContact O-N 3.15Å; K115-D118 PolarHBondContact O-N 3.25Å; W116-D118 VanDerWaalsContact C-N 3.29Å; W116-D118 PolarHBondContact O-N 2.94Å; D118-I120 PolarHBondContact O-N 2.67Å; D118-R121 PolarHBondContact O-N 3.22Å; D118-Q122 VanDerWaalsContact O-CG 3.23Å; D118-Q122 WeakPolarHBondContact O-CG 3.35Å; D118-Q122 PolarHBondContact O-N 3.39Å
119	T	98.8	Very high	98.7	Very high	8 Å²	8	42 Å²	42	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-66	-36.1	177.5	59.5	0	0	0	0	112.5	K115 W116 N123 K237 A238	K115-T119 VanDerWaalsContact O-CG2 3.27Å; K115-T119 WeakPolarHBondContact O-CG2 3.3Å; K115-T119 PolarHBondContact O-N 2.8Å; K115-T119 PolarHBondContact O-OG1 3.05Å; W116-T119 WeakPolarHBondContact CA-OG1 3.3Å; W116-T119 PolarHBondContact O-N 3.44Å; W116-T119 PolarHBondContact O-OG1 3.4Å; T119-N123 PolarHBondContact O-ND2 2.8Å; T119-K237 HydrophobicContact CG2-CB 3.54Å; T119-A238 HydrophobicContact CG2-CB 4.45Å
120	I	98.9	Very high	98.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-45.4	172	-66.6	178.6	0	0	0	110.1	W116 A117 D118 Q122 N123 V124 L127 V146 V150 L153 L198 T202 I230 L233	W116-I120 WeakPolarHBondContact O-CG1 3.48Å; W116-I120 PolarHBondContact O-N 3.5Å; A117-I120 PolarHBondContact O-N 3.22Å; D118-I120 PolarHBondContact O-N 2.67Å; I120-Q122 VanDerWaalsContact C-N 3.28Å; I120-Q122 PolarHBondContact O-N 2.9Å; I120-N123 CarbonylContact O-C 3.48Å; I120-N123 PolarHBondContact O-N 3.38Å; I120-V124 PolarHBondContact O-N 3.18Å; I120-L127 HydrophobicContact CB-CD1 4.33Å; I120-L127 HydrophobicContact CG2-CD1 3.7Å; I120-V146 HydrophobicContact CG2-CG1 3.85Å; I120-V150 HydrophobicContact CB-CG2 3.98Å; I120-V150 HydrophobicContact CG2-CG2 3.46Å; I120-V150 VanDerWaalsContact CG2-CG2 3.46Å; I120-L153 HydrophobicContact CD1-CD1 3.69Å; I120-L198 HydrophobicContact CG2-CD1 4.4Å; I120-T202 HydrophobicContact CD1-CG2 3.91Å; I120-I230 HydrophobicContact CD1-CB 4.2Å; I120-I230 HydrophobicContact CD1-CG2 4.05Å; I120-I230 HydrophobicContact CG1-CG2 4.35Å; I120-L233 HydrophobicContact CG1-CD1 4.01Å
121	R	98.7	Very high	98.8	Very high	102 Å²	102	40.6 Å²	40.6	39%	0.385	20%	0.204	S	C	.	.	H	α-helix	trans	-59.3	-37.3	178.5	-179.9	172.6	-73.3	156.8	-0.3	112.9	R114 A117 D118 N123 V124 V150 E154	R114-R121 VanDerWaalsContact NH2-NH1 3.1Å; A117-R121 WeakPolarHBondContact O-CB 3Å; A117-R121 PolarHBondContact O-N 2.93Å; D118-R121 PolarHBondContact O-N 3.22Å; R121-N123 PolarHBondContact O-N 2.79Å; R121-V124 VanDerWaalsContact O-CG2 3.23Å; R121-V124 WeakPolarHBondContact O-CG2 3.43Å; R121-V150 HydrophobicContact CB-CG1 4.27Å; R121-V150 HydrophobicContact CB-CG2 4.17Å; R121-E154 IonicContact CZ-OE1 2.8Å; R121-E154 IonicContact CZ-OE2 2.85Å; R121-E154 IonicContact NH1-OE1 3.58Å; R121-E154 PolarHBondContact NH1-OE1 2.83Å; R121-E154 IonicContact NH2-OE1 3.6Å; R121-E154 PolarHBondContact NH2-OE1 2.82Å; R121-E154 IonicContact NH2-OE2 2.68Å; R121-E154 PolarHBondContact NH2-OE2 2.8Å
122	Q	98.7	Very high	98.8	Very high	149 Å²	149	37 Å²	37	70%	0.696	18%	0.179	S	C	*	.	H	α-helix	trans	-68.3	-18.4	176.7	-72.9	164.2	5.7	0	0	113.3	D118 I120	D118-Q122 VanDerWaalsContact O-CG 3.23Å; D118-Q122 WeakPolarHBondContact O-CG 3.35Å; D118-Q122 PolarHBondContact O-N 3.39Å; I120-Q122 VanDerWaalsContact C-N 3.28Å; I120-Q122 PolarHBondContact O-N 2.9Å
123	N	98.7	Very high	98.8	Very high	35 Å²	35	36.2 Å²	36.2	19%	0.187	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	26.4	-176.8	-68.1	-82.4	0	0	0	112.2	L44 T119 I120 R121 D125 A126 L127 L233	L44-N123 HydrophobicContact CD1-CB 4.21Å; T119-N123 PolarHBondContact O-ND2 2.8Å; I120-N123 CarbonylContact O-C 3.48Å; I120-N123 PolarHBondContact O-N 3.38Å; R121-N123 PolarHBondContact O-N 2.79Å; N123-D125 VanDerWaalsContact C-N 3.32Å; N123-D125 PolarHBondContact O-N 2.93Å; N123-A126 PolarHBondContact O-N 2.83Å; N123-L127 HydrophobicContact CB-CD1 4.19Å; N123-L127 HydrophobicContact CB-CG 4.33Å; N123-L127 WeakPolarHBondContact O-CB 3.42Å; N123-L127 VanDerWaalsContact O-CG 3.31Å; N123-L127 WeakPolarHBondContact O-CG 3.22Å; N123-L127 PolarHBondContact O-N 2.75Å; N123-L233 HydrophobicContact CB-CD1 4.34Å
124	V	98.8	Very high	98.7	Very high	12 Å²	12	36.3 Å²	36.3	7%	0.073	18%	0.176	C	C	.	.	H	α-helix	trans	-55.4	-45.2	-175.9	164.3	0	0	0	0	112.4	I120 R121 T128 R143 V146 L147	I120-V124 PolarHBondContact O-N 3.18Å; R121-V124 VanDerWaalsContact O-CG2 3.23Å; R121-V124 WeakPolarHBondContact O-CG2 3.43Å; V124-T128 VanDerWaalsContact O-CB 3.28Å; V124-T128 WeakPolarHBondContact O-CB 3.38Å; V124-T128 PolarHBondContact O-N 2.87Å; V124-T128 PolarHBondContact O-OG1 2.95Å; V124-R143 HydrophobicContact CG1-CG 3.98Å; V124-V146 HydrophobicContact CB-CG1 4.42Å; V124-V146 HydrophobicContact CG2-CG1 3.89Å; V124-L147 HydrophobicContact CG2-CD2 4.15Å
125	D	98.5	Very high	98.7	Very high	113 Å²	113	32.8 Å²	32.8	60%	0.604	16%	0.162	S	C	*	.	H	α-helix	trans	-69.3	-47.5	-175.2	-60.8	-22.2	0	0	0	110.8	N123 L127 T128 D129	N123-D125 VanDerWaalsContact C-N 3.32Å; N123-D125 PolarHBondContact O-N 2.93Å; D125-L127 PolarHBondContact O-N 2.92Å; D125-T128 WeakPolarHBondContact O-CB 3.32Å; D125-T128 PolarHBondContact O-N 2.92Å; D125-T128 VanDerWaalsContact O-N 3.14Å; D125-D129 PolarHBondContact O-N 3.47Å
126	A	98.7	Very high	98.7	Very high	12 Å²	12	27.9 Å²	27.9	10%	0.099	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-43.7	175.6	0	0	0	0	0	112.4	W41 L44 N123 T128 D129 L130	W41-A126 HydrophobicContact CB-CB 4.33Å; W41-A126 WeakPolarHBondContact CB-O 3.49Å; L44-A126 HydrophobicContact CD1-CB 3.93Å; N123-A126 PolarHBondContact O-N 2.83Å; A126-T128 VanDerWaalsContact C-N 3.32Å; A126-T128 PolarHBondContact O-N 2.92Å; A126-D129 PolarHBondContact O-N 3.31Å; A126-L130 WeakPolarHBondContact O-CB 3.34Å; A126-L130 PolarHBondContact O-N 3.32Å
127	L	98.9	Very high	98.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.3	-32.3	176.8	-69.8	169.5	0	0	0	112.4	L44 I120 N123 D125 L130 I131 V146 L198 A229 I230 L233	L44-L127 HydrophobicContact CD1-CD2 3.9Å; L44-L127 HydrophobicContact CD1-CG 4.06Å; I120-L127 HydrophobicContact CB-CD1 4.33Å; I120-L127 HydrophobicContact CG2-CD1 3.7Å; N123-L127 HydrophobicContact CB-CD1 4.19Å; N123-L127 HydrophobicContact CB-CG 4.33Å; N123-L127 WeakPolarHBondContact O-CB 3.42Å; N123-L127 VanDerWaalsContact O-CG 3.31Å; N123-L127 WeakPolarHBondContact O-CG 3.22Å; N123-L127 PolarHBondContact O-N 2.75Å; D125-L127 PolarHBondContact O-N 2.92Å; L127-L130 PolarHBondContact O-N 3.02Å; L127-I131 VanDerWaalsContact O-CG1 3.28Å; L127-I131 WeakPolarHBondContact O-CG1 3.32Å; L127-I131 PolarHBondContact O-N 3.35Å; L127-V146 HydrophobicContact CB-CG1 4.26Å; L127-V146 HydrophobicContact CB-CG2 3.87Å; L127-V146 HydrophobicContact CD1-CG1 4.19Å; L127-L198 HydrophobicContact CB-CD1 4.44Å; L127-L198 HydrophobicContact CD1-CD1 4.11Å; L127-L198 HydrophobicContact CD2-CD1 4.5Å; L127-A229 HydrophobicContact CD2-CB 3.93Å; L127-I230 HydrophobicContact CD2-CG2 4.23Å; L127-L233 HydrophobicContact CD1-CD1 3.95Å
128	T	98.8	Very high	98.7	Very high	9 Å²	9	28 Å²	28	6%	0.055	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-50.2	173	-61.4	0	0	0	0	109.8	V124 D125 A126 L130 I131 V132 A142 R143	V124-T128 VanDerWaalsContact O-CB 3.28Å; V124-T128 WeakPolarHBondContact O-CB 3.38Å; V124-T128 PolarHBondContact O-N 2.87Å; V124-T128 PolarHBondContact O-OG1 2.95Å; D125-T128 WeakPolarHBondContact O-CB 3.32Å; D125-T128 PolarHBondContact O-N 2.92Å; D125-T128 VanDerWaalsContact O-N 3.14Å; A126-T128 VanDerWaalsContact C-N 3.32Å; A126-T128 PolarHBondContact O-N 2.92Å; T128-L130 VanDerWaalsContact C-N 3.28Å; T128-L130 PolarHBondContact O-N 2.82Å; T128-I131 PolarHBondContact O-N 3.27Å; T128-V132 HydrophobicContact CG2-CG2 4.44Å; T128-V132 VanDerWaalsContact O-CG2 3.26Å; T128-V132 WeakPolarHBondContact O-CG2 3.3Å; T128-V132 PolarHBondContact O-N 2.94Å; T128-A142 HydrophobicContact CG2-CB 3.93Å; T128-R143 HydrophobicContact CG2-CB 3.95Å; T128-R143 WeakPolarHBondContact OG1-CA 3.29Å
129	D	98.6	Very high	98.6	Very high	74 Å²	74	27.1 Å²	27.1	40%	0.396	14%	0.14	S	C	.	.	H	α-helix	trans	-59.1	-39.6	177.6	-67.3	-15.9	0	0	0	111.9	S40 D125 A126 A133	S40-D129 WeakPolarHBondContact OG-CB 3.22Å; S40-D129 PolarHBondContact OG-OD2 3.02Å; D125-D129 PolarHBondContact O-N 3.47Å; A126-D129 PolarHBondContact O-N 3.31Å; D129-A133 VanDerWaalsContact O-CB 3.31Å; D129-A133 WeakPolarHBondContact O-CB 3.42Å; D129-A133 PolarHBondContact O-N 2.94Å
130	L	98.8	Very high	98.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-50.4	176.8	178.4	55	0	0	0	111.8	W41 V45 A126 L127 T128 V132 A133 E134 L225 A229	W41-L130 HydrophobicContact CB-CB 3.82Å; W41-L130 HydrophobicContact CB-CD2 4.47Å; W41-L130 HydrophobicContact CD2-CB 4.19Å; W41-L130 HydrophobicContact CD2-CD1 3.59Å; W41-L130 HydrophobicContact CD2-CG 4.37Å; W41-L130 HydrophobicContact CE3-CD1 3.72Å; W41-L130 HydrophobicContact CG-CB 3.67Å; W41-L130 HydrophobicContact CG-CD1 4.02Å; W41-L130 HydrophobicContact CG-CG 4.31Å; W41-L130 HydrophobicContact CH2-CD1 4.3Å; W41-L130 HydrophobicContact CZ2-CD1 4.18Å; W41-L130 HydrophobicContact CZ3-CD1 4.08Å; V45-L130 HydrophobicContact CG2-CD2 4.08Å; A126-L130 WeakPolarHBondContact O-CB 3.34Å; A126-L130 PolarHBondContact O-N 3.32Å; L127-L130 PolarHBondContact O-N 3.02Å; T128-L130 VanDerWaalsContact C-N 3.28Å; T128-L130 PolarHBondContact O-N 2.82Å; L130-V132 VanDerWaalsContact C-N 3.32Å; L130-V132 PolarHBondContact O-N 3.41Å; L130-A133 WeakPolarHBondContact O-CB 2.91Å; L130-A133 PolarHBondContact O-N 2.84Å; L130-A133 VanDerWaalsContact O-N 3.14Å; L130-E134 WeakPolarHBondContact O-CG 3.4Å; L130-E134 PolarHBondContact O-N 3.04Å; L130-L225 HydrophobicContact CD1-CB 3.89Å; L130-L225 HydrophobicContact CD1-CD1 4.28Å; L130-A229 HydrophobicContact CD2-CB 3.64Å
131	I	98.8	Very high	98.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62	-43.1	179.3	-68.4	167.5	0	0	0	110.2	L127 T128 A133 N135 K137 A142 V146 P197 L198 T226	L127-I131 VanDerWaalsContact O-CG1 3.28Å; L127-I131 WeakPolarHBondContact O-CG1 3.32Å; L127-I131 PolarHBondContact O-N 3.35Å; T128-I131 PolarHBondContact O-N 3.27Å; I131-A133 VanDerWaalsContact C-N 3.29Å; I131-A133 PolarHBondContact O-N 2.62Å; I131-N135 HydrophobicContact CG2-CB 4.28Å; I131-N135 WeakPolarHBondContact O-CA 3.19Å; I131-N135 WeakPolarHBondContact O-CB 3.34Å; I131-N135 PolarHBondContact O-N 3.31Å; I131-K137 HydrophobicContact CG2-CD 3.73Å; I131-K137 HydrophobicContact CG2-CG 4Å; I131-A142 HydrophobicContact CB-CB 3.96Å; I131-A142 HydrophobicContact CG2-CB 3.69Å; I131-V146 HydrophobicContact CD1-CG2 3.71Å; I131-P197 HydrophobicContact CG1-CG 4.4Å; I131-L198 HydrophobicContact CD1-CB 3.99Å; I131-L198 HydrophobicContact CD1-CD1 4.19Å; I131-T226 HydrophobicContact CD1-CG2 4.21Å; I131-T226 HydrophobicContact CG1-CG2 3.87Å; I131-T226 WeakPolarHBondContact CG1-OG1 3.43Å
132	V	98.7	Very high	98.6	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.03	15%	0.152	C	C	.	.	H	α-helix	trans	-58	-44.6	174.8	170.1	0	0	0	0	110.6	T128 L130 G136 A142 G365 A366	T128-V132 HydrophobicContact CG2-CG2 4.44Å; T128-V132 VanDerWaalsContact O-CG2 3.26Å; T128-V132 WeakPolarHBondContact O-CG2 3.3Å; T128-V132 PolarHBondContact O-N 2.94Å; L130-V132 VanDerWaalsContact C-N 3.32Å; L130-V132 PolarHBondContact O-N 3.41Å; V132-G136 WeakPolarHBondContact O-CA 3.21Å; V132-G136 PolarHBondContact O-N 2.95Å; V132-A142 HydrophobicContact CG2-CB 3.71Å; V132-G365 VanDerWaalsContact CG1-C 3.47Å; V132-A366 HydrophobicContact CG1-CB 4Å; V132-A366 VanDerWaalsContact CG1-N 3.28Å
133	A	98.5	Very high	98.6	Very high	12 Å²	12	27.7 Å²	27.7	10%	0.099	14%	0.14	C	C	.	.	H	α-helix	trans	-64.7	-53	-179.8	0	0	0	0	0	112.3	N69 P70 L76 D129 L130 I131	N69-A133 WeakPolarHBondContact CA-O 3.09Å; N69-A133 VanDerWaalsContact CG-O 3.31Å; P70-A133 WeakPolarHBondContact CD-O 3.43Å; L76-A133 VanDerWaalsContact CD1-C 3.46Å; L76-A133 HydrophobicContact CD1-CB 3.96Å; L76-A133 WeakPolarHBondContact CD1-O 2.88Å; L76-A133 HydrophobicContact CD2-CB 3.96Å; D129-A133 VanDerWaalsContact O-CB 3.31Å; D129-A133 WeakPolarHBondContact O-CB 3.42Å; D129-A133 PolarHBondContact O-N 2.94Å; L130-A133 WeakPolarHBondContact O-CB 2.91Å; L130-A133 PolarHBondContact O-N 2.84Å; L130-A133 VanDerWaalsContact O-N 3.14Å; I131-A133 VanDerWaalsContact C-N 3.29Å; I131-A133 PolarHBondContact O-N 2.62Å
134	E	98.3	Very high	98.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-81.6	-32.2	-173.7	72.2	170.1	-169.2	0	0	114.2	V67 L76 L130 P197 T223 L225 T226	V67-E134 HydrophobicContact CG1-CB 4.17Å; L76-E134 HydrophobicContact CD1-CB 4.01Å; L130-E134 WeakPolarHBondContact O-CG 3.4Å; L130-E134 PolarHBondContact O-N 3.04Å; E134-P197 WeakPolarHBondContact OE1-CG 3.39Å; E134-T223 HydrophobicContact CG-CG2 4.05Å; E134-T223 WeakPolarHBondContact OE1-CB 3.41Å; E134-T223 VanDerWaalsContact OE2-C 3.31Å; E134-T223 WeakPolarHBondContact OE2-CA 3.17Å; E134-L225 WeakPolarHBondContact OE2-CA 3.31Å; E134-L225 WeakPolarHBondContact OE2-CB 3.31Å; E134-L225 PolarHBondContact OE2-N 3.24Å; E134-T226 VanDerWaalsContact CD-OG1 3.23Å; E134-T226 WeakPolarHBondContact OE1-CB 3.38Å; E134-T226 PolarHBondContact OE1-N 2.94Å; E134-T226 PolarHBondContact OE1-OG1 2.86Å; E134-T226 PolarHBondContact OE2-N 2.96Å; E134-T226 VanDerWaalsContact OE2-N 3.1Å
135	N	98.6	Very high	98.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-100.2	-28.3	-177.2	178	-90.7	0	0	0	112.7	P70 I131 K137 W194 T223	P70-N135 VanDerWaalsContact CG-C 3.5Å; P70-N135 WeakPolarHBondContact CG-O 3.1Å; I131-N135 HydrophobicContact CG2-CB 4.28Å; I131-N135 WeakPolarHBondContact O-CA 3.19Å; I131-N135 WeakPolarHBondContact O-CB 3.34Å; I131-N135 PolarHBondContact O-N 3.31Å; N135-K137 PolarHBondContact O-N 3.36Å; N135-K137 WeakPolarHBondContact OD1-CB 3.36Å; N135-K137 WeakPolarHBondContact OD1-CE 3.43Å; N135-K137 PolarHBondContact OD1-N 2.99Å; N135-W194 PolarHBondContact ND2-O 2.88Å; N135-T223 HydrophobicContact CB-CG2 3.93Å
136	G	98.3	Very high	98.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.			trans	88.1	-15.7	179.8	0	0	0	0	0	115.8	V132 G373 P374	V132-G136 WeakPolarHBondContact O-CA 3.21Å; V132-G136 PolarHBondContact O-N 2.95Å; G136-G373 VanDerWaalsContact O-CA 3.3Å; G136-G373 WeakPolarHBondContact O-CA 3.48Å; G136-P374 VanDerWaalsContact O-CD 3.26Å; G136-P374 WeakPolarHBondContact O-CD 3.45Å
137	K	98.6	Very high	98.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.			trans	-55.5	160.5	-179.6	69.1	-179.8	68.1	-179	0	112.7	I131 N135 D141 A142 E145 N195	I131-K137 HydrophobicContact CG2-CD 3.73Å; I131-K137 HydrophobicContact CG2-CG 4Å; N135-K137 PolarHBondContact O-N 3.36Å; N135-K137 WeakPolarHBondContact OD1-CB 3.36Å; N135-K137 WeakPolarHBondContact OD1-CE 3.43Å; N135-K137 PolarHBondContact OD1-N 2.99Å; K137-D141 HydrophobicContact CB-CB 4.36Å; K137-D141 HydrophobicContact CD-CB 4.04Å; K137-D141 HydrophobicContact CG-CB 4.36Å; K137-A142 HydrophobicContact CD-CB 4.05Å; K137-A142 HydrophobicContact CG-CB 3.97Å; K137-E145 IonicContact NZ-OE2 3.89Å; K137-E145 PolarHBondContact NZ-OE2 2.95Å; K137-N195 WeakPolarHBondContact CE-O 3.22Å; K137-N195 PolarHBondContact NZ-O 3.38Å
138	S	98.2	Very high	98.5	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.021	14%	0.144	C	C	.	.			trans	-59	149	177.7	66.4	0	0	0	0	112	F140 D141 A142 I370	S138-F140 PolarHBondContact O-N 2.91Å; S138-D141 PolarHBondContact O-N 3.15Å; S138-D141 WeakPolarHBondContact OG-CB 3.38Å; S138-D141 PolarHBondContact OG-N 3.09Å; S138-D141 PolarHBondContact OG-OD2 3.14Å; S138-A142 WeakPolarHBondContact O-CB 3.42Å; S138-A142 PolarHBondContact O-N 3.04Å; S138-I370 WeakPolarHBondContact CB-O 3.25Å
139	S	98.2	Very high	98.5	Very high	34 Å²	34	27.2 Å²	27.2	24%	0.238	14%	0.142	C	C	.	.	H	α-helix	trans	-54.6	-35.3	175	54.7	0	0	0	0	112.6	R143 G365	S139-R143 WeakPolarHBondContact O-CB 3.44Å; S139-R143 PolarHBondContact O-N 3.45Å; S139-G365 WeakPolarHBondContact CB-O 3.45Å; S139-G365 PolarHBondContact N-O 3.19Å; S139-G365 PolarHBondContact OG-O 2.68Å
140	F	98	Very high	98.5	Very high	139 Å²	139	23.8 Å²	23.8	61%	0.61	12%	0.123	S	C	*	.	H	α-helix	trans	-61	-49.7	173.2	178.9	-99.2	0	0	0	112.2	S138 R143 N144	S138-F140 PolarHBondContact O-N 2.91Å; F140-R143 PolarHBondContact O-N 2.96Å; F140-N144 WeakPolarHBondContact CD1-ND2 3.36Å; F140-N144 WeakPolarHBondContact CE1-ND2 3.45Å; F140-N144 WeakPolarHBondContact CZ-ND2 3.38Å; F140-N144 WeakPolarHBondContact O-CB 3.36Å; F140-N144 VanDerWaalsContact O-CG 3.29Å; F140-N144 PolarHBondContact O-N 3.28Å; F140-N144 PolarHBondContact O-ND2 2.93Å; F140-N144 VanDerWaalsContact O-ND2 3.1Å
141	D	98.3	Very high	98.5	Very high	15 Å²	15	26 Å²	26	8%	0.08	14%	0.139	C	C	.	.	H	α-helix	trans	-68.5	-41.1	-180	-74.5	-21.3	0	0	0	112.2	K137 S138 N144 E145 C328	K137-D141 HydrophobicContact CB-CB 4.36Å; K137-D141 HydrophobicContact CD-CB 4.04Å; K137-D141 HydrophobicContact CG-CB 4.36Å; S138-D141 PolarHBondContact O-N 3.15Å; S138-D141 WeakPolarHBondContact OG-CB 3.38Å; S138-D141 PolarHBondContact OG-N 3.09Å; S138-D141 PolarHBondContact OG-OD2 3.14Å; D141-N144 PolarHBondContact O-N 3.1Å; D141-E145 PolarHBondContact O-N 3.08Å; D141-C328 WeakPolarHBondContact OD2-CA 3.46Å; D141-C328 PolarHBondContact OD2-N 2.84Å
142	A	98.8	Very high	98.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.7	-47.7	174.5	0	0	0	0	0	111.5	T128 I131 V132 K137 S138 N144 E145 V146	T128-A142 HydrophobicContact CG2-CB 3.93Å; I131-A142 HydrophobicContact CB-CB 3.96Å; I131-A142 HydrophobicContact CG2-CB 3.69Å; V132-A142 HydrophobicContact CG2-CB 3.71Å; K137-A142 HydrophobicContact CD-CB 4.05Å; K137-A142 HydrophobicContact CG-CB 3.97Å; S138-A142 WeakPolarHBondContact O-CB 3.42Å; S138-A142 PolarHBondContact O-N 3.04Å; A142-N144 PolarHBondContact O-N 2.87Å; A142-E145 WeakPolarHBondContact O-CB 3.25Å; A142-E145 PolarHBondContact O-N 2.95Å; A142-E145 VanDerWaalsContact O-N 3.13Å; A142-V146 WeakPolarHBondContact O-CG2 3.44Å; A142-V146 PolarHBondContact O-N 2.94Å
143	R	98.7	Very high	98.5	Very high	116 Å²	116	26 Å²	26	44%	0.438	14%	0.139	S	C	.	.	H	α-helix	trans	-63	-42.2	179.1	-170	177.3	-175.8	-75.5	-4.5	112.1	V124 T128 S139 F140 E145 V146 L147	V124-R143 HydrophobicContact CG1-CG 3.98Å; T128-R143 HydrophobicContact CG2-CB 3.95Å; T128-R143 WeakPolarHBondContact OG1-CA 3.29Å; S139-R143 WeakPolarHBondContact O-CB 3.44Å; S139-R143 PolarHBondContact O-N 3.45Å; F140-R143 PolarHBondContact O-N 2.96Å; R143-E145 VanDerWaalsContact C-N 3.28Å; R143-E145 PolarHBondContact O-N 3.36Å; R143-V146 PolarHBondContact O-N 3.23Å; R143-L147 WeakPolarHBondContact O-CG 3.24Å; R143-L147 PolarHBondContact O-N 2.87Å; R143-L147 VanDerWaalsContact O-N 3.07Å
144	N	98.2	Very high	98.5	Very high	66 Å²	66	27 Å²	27	35%	0.353	14%	0.142	S	C	.	.	H	α-helix	trans	-63.2	-36.2	175.6	-74.1	-32.5	0	0	0	111.9	F140 D141 A142 L147 A148	F140-N144 WeakPolarHBondContact CD1-ND2 3.36Å; F140-N144 WeakPolarHBondContact CE1-ND2 3.45Å; F140-N144 WeakPolarHBondContact CZ-ND2 3.38Å; F140-N144 WeakPolarHBondContact O-CB 3.36Å; F140-N144 VanDerWaalsContact O-CG 3.29Å; F140-N144 PolarHBondContact O-N 3.28Å; F140-N144 PolarHBondContact O-ND2 2.93Å; F140-N144 VanDerWaalsContact O-ND2 3.1Å; D141-N144 PolarHBondContact O-N 3.1Å; A142-N144 PolarHBondContact O-N 2.87Å; N144-L147 PolarHBondContact O-N 3.03Å; N144-A148 WeakPolarHBondContact O-CB 3.38Å; N144-A148 PolarHBondContact O-N 2.76Å
145	E	98.5	Very high	98.4	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.014	15%	0.152	C	C	.	.	H	α-helix	trans	-62.5	-47.8	172.6	179.7	-177.7	176.1	0	0	112.1	K137 D141 A142 R143 L147 A148 G149 F196 P197 L198 S199	K137-E145 IonicContact NZ-OE2 3.89Å; K137-E145 PolarHBondContact NZ-OE2 2.95Å; D141-E145 PolarHBondContact O-N 3.08Å; A142-E145 WeakPolarHBondContact O-CB 3.25Å; A142-E145 PolarHBondContact O-N 2.95Å; A142-E145 VanDerWaalsContact O-N 3.13Å; R143-E145 VanDerWaalsContact C-N 3.28Å; R143-E145 PolarHBondContact O-N 3.36Å; E145-L147 VanDerWaalsContact C-N 3.27Å; E145-L147 PolarHBondContact O-N 3.02Å; E145-A148 PolarHBondContact O-N 3.18Å; E145-G149 PolarHBondContact O-N 3Å; E145-F196 HydrophobicContact CB-CD1 4.32Å; E145-F196 HydrophobicContact CG-CD1 3.95Å; E145-F196 WeakPolarHBondContact OE1-CA 3.24Å; E145-P197 VanDerWaalsContact OE1-CD 3.27Å; E145-P197 WeakPolarHBondContact OE1-CD 3.31Å; E145-L198 HydrophobicContact CG-CB 4.31Å; E145-L198 PolarHBondContact OE1-N 3.43Å; E145-S199 PolarHBondContact OE1-N 3.03Å; E145-S199 VanDerWaalsContact OE1-N 3.1Å
146	V	98.9	Very high	98.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-56	-47.7	178.4	-178.7	0	0	0	0	109.8	I120 V124 L127 I131 A142 R143 G149 V150 L198	I120-V146 HydrophobicContact CG2-CG1 3.85Å; V124-V146 HydrophobicContact CB-CG1 4.42Å; V124-V146 HydrophobicContact CG2-CG1 3.89Å; L127-V146 HydrophobicContact CB-CG1 4.26Å; L127-V146 HydrophobicContact CB-CG2 3.87Å; L127-V146 HydrophobicContact CD1-CG1 4.19Å; I131-V146 HydrophobicContact CD1-CG2 3.71Å; A142-V146 WeakPolarHBondContact O-CG2 3.44Å; A142-V146 PolarHBondContact O-N 2.94Å; R143-V146 PolarHBondContact O-N 3.23Å; V146-G149 PolarHBondContact O-N 3.32Å; V146-V150 WeakPolarHBondContact O-CG2 3.46Å; V146-V150 PolarHBondContact O-N 3.22Å; V146-L198 HydrophobicContact CB-CD1 4.37Å; V146-L198 HydrophobicContact CG1-CD1 4.18Å; V146-L198 HydrophobicContact CG2-CD1 4.08Å
147	L	98.7	Very high	98.4	Very high	54 Å²	54	29.7 Å²	29.7	28%	0.283	15%	0.152	S	C	.	.	H	α-helix	trans	-64.4	-41.4	178.9	-67.4	-179.5	0	0	0	112.7	V124 R143 N144 E145 G149 V150 S151	V124-L147 HydrophobicContact CG2-CD2 4.15Å; R143-L147 WeakPolarHBondContact O-CG 3.24Å; R143-L147 PolarHBondContact O-N 2.87Å; R143-L147 VanDerWaalsContact O-N 3.07Å; N144-L147 PolarHBondContact O-N 3.03Å; E145-L147 VanDerWaalsContact C-N 3.27Å; E145-L147 PolarHBondContact O-N 3.02Å; L147-G149 PolarHBondContact O-N 2.73Å; L147-V150 WeakPolarHBondContact O-CB 3.3Å; L147-V150 PolarHBondContact O-N 2.99Å; L147-S151 PolarHBondContact O-N 2.65Å; L147-S151 PolarHBondContact O-OG 3.33Å
148	A	98.3	Very high	98.4	Very high	49 Å²	49	33.4 Å²	33.4	41%	0.405	17%	0.169	S	C	.	.	H	α-helix	trans	-60.4	-38.4	174.2	0	0	0	0	0	111.4	N144 E145 S151 A152	N144-A148 WeakPolarHBondContact O-CB 3.38Å; N144-A148 PolarHBondContact O-N 2.76Å; E145-A148 PolarHBondContact O-N 3.18Å; A148-S151 PolarHBondContact O-N 2.81Å; A148-A152 PolarHBondContact O-N 2.84Å
149	G	98.6	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.3	-36.2	176	0	0	0	0	0	113.7	E145 V146 L147 L153 T202	E145-G149 PolarHBondContact O-N 3Å; V146-G149 PolarHBondContact O-N 3.32Å; L147-G149 PolarHBondContact O-N 2.73Å; G149-L153 PolarHBondContact O-N 3.19Å; G149-T202 WeakPolarHBondContact CA-OG1 3.23Å; G149-T202 WeakPolarHBondContact O-CB 3.32Å; G149-T202 PolarHBondContact O-OG1 3.14Å; G149-T202 VanDerWaalsContact O-OG1 3.1Å
150	V	98.8	Very high	98.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-61.3	-53.2	169.4	174.9	0	0	0	0	109.8	A117 I120 R121 V146 L147 A152 L153 E154	A117-V150 HydrophobicContact CB-CG1 4.21Å; I120-V150 HydrophobicContact CB-CG2 3.98Å; I120-V150 HydrophobicContact CG2-CG2 3.46Å; I120-V150 VanDerWaalsContact CG2-CG2 3.46Å; R121-V150 HydrophobicContact CB-CG1 4.27Å; R121-V150 HydrophobicContact CB-CG2 4.17Å; V146-V150 WeakPolarHBondContact O-CG2 3.46Å; V146-V150 PolarHBondContact O-N 3.22Å; L147-V150 WeakPolarHBondContact O-CB 3.3Å; L147-V150 PolarHBondContact O-N 2.99Å; V150-A152 PolarHBondContact O-N 2.95Å; V150-L153 PolarHBondContact O-N 3.3Å; V150-E154 HydrophobicContact CG1-CG 4.12Å; V150-E154 WeakPolarHBondContact O-CG 3.46Å; V150-E154 PolarHBondContact O-N 3.36Å
151	S	98.3	Very high	98.1	Very high	48 Å²	48	31.2 Å²	31.2	34%	0.336	16%	0.155	S	C	.	.	H	α-helix	trans	-57.9	-34.7	-179.4	-63.7	0	0	0	0	112.9	L147 A148 E154 W155	L147-S151 PolarHBondContact O-N 2.65Å; L147-S151 PolarHBondContact O-OG 3.33Å; A148-S151 PolarHBondContact O-N 2.81Å; S151-E154 PolarHBondContact O-N 3.2Å; S151-W155 WeakPolarHBondContact O-CB 3.38Å; S151-W155 PolarHBondContact O-N 2.78Å
152	A	98.3	Very high	98	Very high	3 Å²	3	35.4 Å²	35.4	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-58.3	-48.9	172	0	0	0	0	0	112.7	A148 V150 W155 Y156 R203 I502	A148-A152 PolarHBondContact O-N 2.84Å; V150-A152 PolarHBondContact O-N 2.95Å; A152-W155 PolarHBondContact O-N 3.47Å; A152-Y156 WeakPolarHBondContact O-CD2 3.4Å; A152-Y156 PolarHBondContact O-N 3.28Å; A152-R203 HydrophobicContact CB-CB 4.41Å; A152-I502 HydrophobicContact CB-CD1 3.88Å; A152-I502 HydrophobicContact CB-CG1 4.48Å
153	L	98.7	Very high	97.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.9	-38	178.5	-62.5	179.3	0	0	0	112.1	I113 W116 A117 I120 G149 V150 Y156 A157 T202	I113-L153 HydrophobicContact CG2-CB 4.1Å; I113-L153 HydrophobicContact CG2-CD2 4.16Å; I113-L153 WeakPolarHBondContact CG2-O 3.08Å; W116-L153 HydrophobicContact CB-CD1 4.16Å; W116-L153 HydrophobicContact CD2-CD1 3.57Å; W116-L153 HydrophobicContact CD2-CD2 4.25Å; W116-L153 HydrophobicContact CE3-CD1 3.72Å; W116-L153 HydrophobicContact CE3-CD2 3.5Å; W116-L153 VanDerWaalsContact CE3-CD2 3.5Å; W116-L153 HydrophobicContact CE3-CG 4.26Å; W116-L153 HydrophobicContact CG-CD1 3.78Å; W116-L153 HydrophobicContact CH2-CD2 4.4Å; W116-L153 HydrophobicContact CZ3-CD1 4.36Å; W116-L153 HydrophobicContact CZ3-CD2 3.59Å; A117-L153 HydrophobicContact CB-CB 3.62Å; A117-L153 HydrophobicContact CB-CD1 4.28Å; I120-L153 HydrophobicContact CD1-CD1 3.69Å; G149-L153 PolarHBondContact O-N 3.19Å; V150-L153 PolarHBondContact O-N 3.3Å; L153-Y156 PolarHBondContact O-N 3.3Å; L153-A157 VanDerWaalsContact O-CB 3.22Å; L153-A157 WeakPolarHBondContact O-CB 3.48Å; L153-A157 PolarHBondContact O-N 2.81Å; L153-T202 HydrophobicContact CD1-CG2 3.98Å; L153-T202 HydrophobicContact CD2-CG2 4.3Å; L153-T202 HydrophobicContact CG-CG2 4.12Å
154	E	98.3	Very high	97.4	Very high	33 Å²	33	38.8 Å²	38.8	15%	0.154	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-49.2	174.9	-61.7	-175.6	122.6	0	0	111	R114 A117 R121 V150 S151 A157 E158	R114-E154 IonicContact CZ-OE1 3.81Å; R114-E154 VanDerWaalsContact NH1-CD 3.27Å; R114-E154 IonicContact NH1-OE1 3.47Å; R114-E154 PolarHBondContact NH1-OE1 3.3Å; R114-E154 IonicContact NH2-OE1 3.99Å; R114-E154 PolarHBondContact NH2-OE1 3.48Å; A117-E154 HydrophobicContact CB-CG 3.92Å; R121-E154 IonicContact CZ-OE1 2.8Å; R121-E154 IonicContact CZ-OE2 2.85Å; R121-E154 IonicContact NH1-OE1 3.58Å; R121-E154 PolarHBondContact NH1-OE1 2.83Å; R121-E154 IonicContact NH2-OE1 3.6Å; R121-E154 PolarHBondContact NH2-OE1 2.82Å; R121-E154 IonicContact NH2-OE2 2.68Å; R121-E154 PolarHBondContact NH2-OE2 2.8Å; V150-E154 HydrophobicContact CG1-CG 4.12Å; V150-E154 WeakPolarHBondContact O-CG 3.46Å; V150-E154 PolarHBondContact O-N 3.36Å; S151-E154 PolarHBondContact O-N 3.2Å; E154-A157 PolarHBondContact O-N 3.48Å; E154-E158 WeakPolarHBondContact O-CG 3.49Å; E154-E158 PolarHBondContact O-N 2.99Å
155	W	98.1	Very high	97.2	Very high	57 Å²	57	37.9 Å²	37.9	22%	0.216	20%	0.198	C	C	.	.	H	α-helix	trans	-57.5	-52.3	177.2	-177.6	-96.9	0	0	0	111.8	S151 A152 A157 E158 E159 I502 E503 G519	S151-W155 WeakPolarHBondContact O-CB 3.38Å; S151-W155 PolarHBondContact O-N 2.78Å; A152-W155 PolarHBondContact O-N 3.47Å; W155-A157 VanDerWaalsContact C-N 3.34Å; W155-A157 PolarHBondContact O-N 2.91Å; W155-E158 WeakPolarHBondContact O-CA 3.11Å; W155-E158 WeakPolarHBondContact O-CB 3.2Å; W155-E158 PolarHBondContact O-N 2.93Å; W155-E159 HydrophobicContact CD2-CG 4.49Å; W155-E159 HydrophobicContact CG-CG 4.4Å; W155-E159 HydrophobicContact CZ2-CG 4.48Å; W155-E159 PolarHBondContact O-N 3.03Å; W155-I502 HydrophobicContact CB-CB 4.47Å; W155-I502 HydrophobicContact CB-CD1 4.47Å; W155-I502 HydrophobicContact CB-CG1 3.46Å; W155-I502 VanDerWaalsContact CB-CG1 3.46Å; W155-I502 HydrophobicContact CB-CG2 4.14Å; W155-I502 HydrophobicContact CD2-CG1 4.28Å; W155-I502 HydrophobicContact CD2-CG2 4.42Å; W155-I502 HydrophobicContact CE3-CG2 4.37Å; W155-I502 HydrophobicContact CG-CG1 3.56Å; W155-I502 HydrophobicContact CG-CG2 4.35Å; W155-E503 HydrophobicContact CE3-CB 4.13Å; W155-E503 HydrophobicContact CH2-CB 3.44Å; W155-E503 VanDerWaalsContact CH2-CB 3.44Å; W155-E503 HydrophobicContact CZ2-CB 4.06Å; W155-E503 HydrophobicContact CZ3-CB 3.48Å; W155-E503 VanDerWaalsContact CZ3-CB 3.48Å; W155-G519 PolarHBondContact NE1-O 3.09Å
156	Y	98.1	Very high	97.1	Very high	1 Å²	1	43 Å²	43	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-71.4	-27.2	-177.6	-66.6	-55.6	0	0	0	114	A152 L153 E158 E159 A160 R203 A207 A210 I502 G518 A522	A152-Y156 WeakPolarHBondContact O-CD2 3.4Å; A152-Y156 PolarHBondContact O-N 3.28Å; L153-Y156 PolarHBondContact O-N 3.3Å; Y156-E158 PolarHBondContact O-N 3.2Å; Y156-E159 PolarHBondContact O-N 3.11Å; Y156-A160 WeakPolarHBondContact O-CB 3.42Å; Y156-A160 PolarHBondContact O-N 3.42Å; Y156-R203 WeakPolarHBondContact CE2-O 3.37Å; Y156-A207 HydrophobicContact CD1-CB 3.88Å; Y156-A207 HydrophobicContact CD2-CB 4.22Å; Y156-A207 HydrophobicContact CE1-CB 3.62Å; Y156-A207 HydrophobicContact CE2-CB 3.99Å; Y156-A207 HydrophobicContact CG-CB 4.18Å; Y156-A210 VanDerWaalsContact O-CB 3.27Å; Y156-A210 WeakPolarHBondContact O-CB 3.37Å; Y156-I502 HydrophobicContact CE2-CD1 3.96Å; Y156-G518 WeakPolarHBondContact OH-CA 3.31Å; Y156-G518 PolarHBondContact OH-N 2.64Å; Y156-A522 HydrophobicContact CE1-CB 4.25Å
157	A	98.1	Very high	96.9	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-38.3	168.3	0	0	0	0	0	110.7	S110 I113 R114 L153 E154 W155	S110-A157 WeakPolarHBondContact CB-O 3.48Å; S110-A157 PolarHBondContact OG-O 3.27Å; I113-A157 HydrophobicContact CB-CB 4.09Å; I113-A157 HydrophobicContact CG2-CB 3.95Å; R114-A157 HydrophobicContact CB-CB 4.08Å; L153-A157 VanDerWaalsContact O-CB 3.22Å; L153-A157 WeakPolarHBondContact O-CB 3.48Å; L153-A157 PolarHBondContact O-N 2.81Å; E154-A157 PolarHBondContact O-N 3.48Å; W155-A157 VanDerWaalsContact C-N 3.34Å; W155-A157 PolarHBondContact O-N 2.91Å
158	E	97.5	Very high	96.8	Very high	77 Å²	77	49.6 Å²	49.6	36%	0.36	25%	0.251	S	S	.	.	H	α-helix	trans	-75.2	-45.9	175.7	-59	-179.8	-170.2	0	0	112.9	E154 W155 Y156 A160 K161 R162	E154-E158 WeakPolarHBondContact O-CG 3.49Å; E154-E158 PolarHBondContact O-N 2.99Å; W155-E158 WeakPolarHBondContact O-CA 3.11Å; W155-E158 WeakPolarHBondContact O-CB 3.2Å; W155-E158 PolarHBondContact O-N 2.93Å; Y156-E158 PolarHBondContact O-N 3.2Å; E158-A160 PolarHBondContact O-N 3.24Å; E158-K161 WeakPolarHBondContact O-CB 3.24Å; E158-K161 PolarHBondContact O-N 2.83Å; E158-R162 IonicContact OE2-CZ 2.68Å; E158-R162 IonicContact OE2-NH1 2.54Å; E158-R162 PolarHBondContact OE2-NH1 3.09Å; E158-R162 IonicContact OE2-NH2 3.29Å; E158-R162 PolarHBondContact OE2-NH2 2.86Å
159	E	96.6	Very high	96.5	Very high	17 Å²	17	51.3 Å²	51.3	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-28.5	178.8	-69.7	-55	105.9	0	0	112.4	W155 Y156 K161 R162 L523	W155-E159 HydrophobicContact CD2-CG 4.49Å; W155-E159 HydrophobicContact CG-CG 4.4Å; W155-E159 HydrophobicContact CZ2-CG 4.48Å; W155-E159 PolarHBondContact O-N 3.03Å; Y156-E159 PolarHBondContact O-N 3.11Å; E159-K161 PolarHBondContact O-N 2.9Å; E159-R162 PolarHBondContact O-N 2.54Å; E159-R162 WeakPolarHBondContact OE1-CD 3.33Å; E159-R162 IonicContact OE1-CZ 2.69Å; E159-R162 IonicContact OE1-NE 2.72Å; E159-R162 IonicContact OE1-NH1 2.94Å; E159-R162 PolarHBondContact OE1-NH1 3.34Å; E159-L523 HydrophobicContact CB-CD2 4.03Å; E159-L523 WeakPolarHBondContact O-CD2 3.49Å
160	A	96.7	Very high	96.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-49.8	-34.9	171.9	0	0	0	0	0	112.4	P106 Y156 E158 V163 A210	P106-A160 WeakPolarHBondContact CB-O 3.11Å; Y156-A160 WeakPolarHBondContact O-CB 3.42Å; Y156-A160 PolarHBondContact O-N 3.42Å; E158-A160 PolarHBondContact O-N 3.24Å; A160-V163 WeakPolarHBondContact O-CG2 3.5Å; A160-A210 HydrophobicContact CB-CB 3.89Å
161	K	96.6	Very high	96.2	Very high	113 Å²	113	60.8 Å²	60.8	49%	0.491	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-86.8	-7.9	-179.4	-59.6	175.3	-67.8	-175.1	0	113.8	E158 E159	E158-K161 WeakPolarHBondContact O-CB 3.24Å; E158-K161 PolarHBondContact O-N 2.83Å; E159-K161 PolarHBondContact O-N 2.9Å
162	R	95.3	Very high	96	Very high	103 Å²	103	63.3 Å²	63.3	39%	0.389	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-106.7	16.5	-175.4	-56.8	-171.1	-174.1	102.6	1.4	113	E158 E159 F164	E158-R162 IonicContact OE2-CZ 2.68Å; E158-R162 IonicContact OE2-NH1 2.54Å; E158-R162 PolarHBondContact OE2-NH1 3.09Å; E158-R162 IonicContact OE2-NH2 3.29Å; E158-R162 PolarHBondContact OE2-NH2 2.86Å; E159-R162 PolarHBondContact O-N 2.54Å; E159-R162 WeakPolarHBondContact OE1-CD 3.33Å; E159-R162 IonicContact OE1-CZ 2.69Å; E159-R162 IonicContact OE1-NE 2.72Å; E159-R162 IonicContact OE1-NH1 2.94Å; E159-R162 PolarHBondContact OE1-NH1 3.34Å; R162-F164 VanDerWaalsContact C-N 3.26Å; R162-F164 HydrophobicContact CB-CE2 3.97Å; R162-F164 HydrophobicContact CB-CZ 4.26Å; R162-F164 HydrophobicContact CG-CE2 4.46Å; R162-F164 HydrophobicContact CG-CZ 4.47Å; R162-F164 VanDerWaalsContact O-CD2 3.26Å; R162-F164 WeakPolarHBondContact O-CD2 3.22Å; R162-F164 PolarHBondContact O-N 2.87Å
163	V	92.4	Very high	95.8	Very high	37 Å²	37	64.3 Å²	64.3	22%	0.224	33%	0.334	C	S	.	.			trans	-76.8	77.2	175.5	-173.1	0	0	0	0	109.5	A160 Q182 L523 M527	A160-V163 WeakPolarHBondContact O-CG2 3.5Å; V163-Q182 HydrophobicContact CG1-CB 3.59Å; V163-Q182 HydrophobicContact CG1-CG 4.13Å; V163-L523 HydrophobicContact CG2-CD2 3.38Å; V163-M527 HydrophobicContact CB-CE 4.35Å; V163-M527 HydrophobicContact CG1-CE 3.71Å; V163-M527 HydrophobicContact CG1-SD 3.65Å; V163-M527 HydrophobicContact CG2-CE 3.62Å; V163-M527 HydrophobicContact CG2-SD 4.43Å
164	F	93.2	Very high	95.5	Very high	151 Å²	151	73.4 Å²	73.4	66%	0.662	38%	0.376	S	S	*	.			trans	-86.5	147.7	-178.1	-56	-54.7	0	0	0	112	R162	R162-F164 VanDerWaalsContact C-N 3.26Å; R162-F164 HydrophobicContact CB-CE2 3.97Å; R162-F164 HydrophobicContact CB-CZ 4.26Å; R162-F164 HydrophobicContact CG-CE2 4.46Å; R162-F164 HydrophobicContact CG-CZ 4.47Å; R162-F164 VanDerWaalsContact O-CD2 3.26Å; R162-F164 WeakPolarHBondContact O-CD2 3.22Å; R162-F164 PolarHBondContact O-N 2.87Å
165	G	93.7	Very high	95.3	Very high	47 Å²	47	73.4 Å²	73.4	49%	0.485	38%	0.38	S	S	.	.			trans	-95.4	174.9	166.7	0	0	0	0	0	111.9	V180	G165-V180 CarbonylContact C-O 3.59Å; G165-V180 WeakPolarHBondContact CA-O 2.78Å
166	L	95.5	Very high	95.2	Very high	110 Å²	110	74.7 Å²	74.7	58%	0.576	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.3	174	-58.7	173	0	0	0	110.1	I168 L179 V180	L166-I168 HydrophobicContact CB-CG1 4.2Å; L166-L179 CarbonylContact O-C 3.49Å; L166-L179 VanDerWaalsContact O-CA 3.27Å; L166-L179 WeakPolarHBondContact O-CA 3.43Å; L166-V180 HydrophobicContact CB-CB 4.1Å; L166-V180 HydrophobicContact CB-CG2 4.36Å; L166-V180 PolarHBondContact N-O 3.43Å; L166-V180 PolarHBondContact O-N 3.32Å
167	Y	95.8	Very high	95	Very high	119 Å²	119	78.6 Å²	78.6	47%	0.467	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.6	163.3	174.7	-94.9	0	0	0	108.9	R177 Q178 L179	Y167-R177 HydrophobicContact CE2-CB 4.12Å; Y167-R177 WeakPolarHBondContact OH-CD 3.22Å; Y167-Q178 WeakPolarHBondContact CA-O 3.45Å; Y167-Q178 WeakPolarHBondContact CD2-O 3.49Å; Y167-L179 HydrophobicContact CD2-CD2 3.83Å; Y167-L179 HydrophobicContact CG-CD2 4.36Å
168	I	95.1	Very high	94.9	Very high	73 Å²	73	80.9 Å²	80.9	37%	0.374	41%	0.409	S	S	.	.			trans	-114.1	119.6	-173.4	-57	-179.3	0	0	0	109.3	L166 Q178 V180	L166-I168 HydrophobicContact CB-CG1 4.2Å; I168-Q178 HydrophobicContact CB-CB 4.49Å; I168-Q178 PolarHBondContact N-O 3.14Å; I168-Q178 WeakPolarHBondContact O-CB 3.32Å; I168-Q178 PolarHBondContact O-NE2 3.31Å; I168-V180 HydrophobicContact CD1-CG2 3.62Å; I168-V180 HydrophobicContact CG1-CG2 4.38Å
169	P	93.4	Very high	94.9	Very high	85 Å²	85	80.2 Å²	80.2	55%	0.552	41%	0.408	S	S	*	.			trans	-64.2	141.6	176.9	27.3	-33.6	0	0	0	111	Q178	P169-Q178 PolarHBondContact O-NE2 2.95Å
170	S	94.8	Very high	94.9	Very high	22 Å²	22	80.6 Å²	80.6	15%	0.154	41%	0.411	C	S	.	.			trans	-74	134	171.8	174.3	0	0	0	0	109.8	S172 S173 Q178	S170-S172 VanDerWaalsContact C-N 3.3Å; S170-S172 PolarHBondContact OG-N 2.87Å; S170-S173 VanDerWaalsContact CB-O 3.32Å; S170-S173 WeakPolarHBondContact CB-O 3.4Å; S170-S173 PolarHBondContact OG-N 3.4Å; S170-S173 PolarHBondContact OG-O 3.45Å; S170-Q178 VanDerWaalsContact CA-NE2 3.31Å
171	L	96.3	Very high	94.9	Very high	178 Å²	178	82 Å²	82	93%	0.932	42%	0.423	S	S	*	.	S	Bend	trans	-78.3	-14.4	178.5	-60	-178.8	0	0	0	113.2
172	S	94.2	Very high	94.8	Very high	101 Å²	101	78.7 Å²	78.7	71%	0.706	41%	0.409	S	S	*	.	S	Bend	trans	-131.1	1.2	-168.1	52.9	0	0	0	0	114.9	S170	S170-S172 VanDerWaalsContact C-N 3.3Å; S170-S172 PolarHBondContact OG-N 2.87Å
173	S	92.7	Very high	94.9	Very high	25 Å²	25	76.8 Å²	76.8	18%	0.175	41%	0.405	C	S	.	.			trans	-151.5	126.8	177.1	160.7	0	0	0	0	110.6	S170 S175 R176	S170-S173 VanDerWaalsContact CB-O 3.32Å; S170-S173 WeakPolarHBondContact CB-O 3.4Å; S170-S173 PolarHBondContact OG-N 3.4Å; S170-S173 PolarHBondContact OG-O 3.45Å; S173-S175 VanDerWaalsContact C-N 3.3Å; S173-S175 PolarHBondContact OG-N 3.07Å; S173-S175 PolarHBondContact OG-OG 3.42Å; S173-S175 VanDerWaalsContact OG-OG 3.06Å; S173-R176 PolarHBondContact OG-N 3.36Å
174	H	92.9	Very high	95.2	Very high	191 Å²	191	76.4 Å²	76.4	88%	0.884	40%	0.403	S	S	*	.	S	Bend	trans	-72.1	-22.5	176.7	-66.4	-72	0	0	0	113.4	R177	H174-R177 PolarHBondContact O-NH1 3.18Å
175	S	94.5	Very high	95.4	Very high	32 Å²	32	70.1 Å²	70.1	22%	0.224	38%	0.376	C	S	.	.	S	Bend	trans	-90.5	-13.8	-179.7	61.2	0	0	0	0	113.6	S173 D535 T536	S173-S175 VanDerWaalsContact C-N 3.3Å; S173-S175 PolarHBondContact OG-N 3.07Å; S173-S175 PolarHBondContact OG-OG 3.42Å; S173-S175 VanDerWaalsContact OG-OG 3.06Å; S175-D535 WeakPolarHBondContact CB-OD1 3.33Å; S175-D535 PolarHBondContact OG-OD1 2.98Å; S175-T536 PolarHBondContact O-N 3.44Å; S175-T536 PolarHBondContact O-OG1 3.31Å
176	R	95	Very high	95.6	Very high	85 Å²	85	68.3 Å²	68.3	32%	0.321	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	136.4	-179.5	-171.3	179.8	-62.4	154.6	1.7	111.9	S173 Q178 T533	S173-R176 PolarHBondContact OG-N 3.36Å; R176-Q178 HydrophobicContact CG-CG 4.15Å; R176-T533 HydrophobicContact CG-CG2 3.7Å
177	R	94.1	Very high	95.8	Very high	82 Å²	82	63.2 Å²	63.2	31%	0.309	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.8	174.6	-57.9	-63.1	175.7	-108.1	1.6	109.1	Y167 H174 T533 W534 T536	Y167-R177 HydrophobicContact CE2-CB 4.12Å; Y167-R177 WeakPolarHBondContact OH-CD 3.22Å; H174-R177 PolarHBondContact O-NH1 3.18Å; R177-T533 WeakPolarHBondContact O-CA 3.43Å; R177-W534 HydrophobicContact CB-CD2 3.71Å; R177-W534 HydrophobicContact CB-CE3 4.11Å; R177-W534 HydrophobicContact CB-CG 4.31Å; R177-W534 HydrophobicContact CB-CH2 3.79Å; R177-W534 HydrophobicContact CB-CZ2 3.38Å; R177-W534 HydrophobicContact CB-CZ3 4.14Å; R177-W534 HydrophobicContact CG-CZ2 3.99Å; R177-W534 PolarHBondContact N-O 2.95Å; R177-W534 PolarHBondContact O-N 3.35Å; R177-T536 HydrophobicContact CG-CG2 3.6Å
178	Q	97.1	Very high	95.9	Very high	50 Å²	50	57.6 Å²	57.6	23%	0.234	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	129.8	-175.7	-48.8	171.1	105.7	0	0	110	Y167 I168 P169 S170 R176 I532 T533	Y167-Q178 WeakPolarHBondContact CA-O 3.45Å; Y167-Q178 WeakPolarHBondContact CD2-O 3.49Å; I168-Q178 HydrophobicContact CB-CB 4.49Å; I168-Q178 PolarHBondContact N-O 3.14Å; I168-Q178 WeakPolarHBondContact O-CB 3.32Å; I168-Q178 PolarHBondContact O-NE2 3.31Å; P169-Q178 PolarHBondContact O-NE2 2.95Å; S170-Q178 VanDerWaalsContact CA-NE2 3.31Å; R176-Q178 HydrophobicContact CG-CG 4.15Å; Q178-I532 CarbonylContact C-O 3.52Å; Q178-I532 WeakPolarHBondContact CA-O 3.45Å; Q178-T533 HydrophobicContact CG-CG2 4.11Å
179	L	96.4	Very high	96.1	Very high	63 Å²	63	54.1 Å²	54.1	33%	0.33	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.1	175.5	-68.4	172.6	0	0	0	110.5	L166 Y167 T531 I532 W534	L166-L179 CarbonylContact O-C 3.49Å; L166-L179 VanDerWaalsContact O-CA 3.27Å; L166-L179 WeakPolarHBondContact O-CA 3.43Å; Y167-L179 HydrophobicContact CD2-CD2 3.83Å; Y167-L179 HydrophobicContact CG-CD2 4.36Å; L179-T531 CarbonylContact O-C 3.47Å; L179-T531 VanDerWaalsContact O-CA 3.26Å; L179-T531 WeakPolarHBondContact O-CA 3.47Å; L179-I532 HydrophobicContact CB-CB 4.44Å; L179-I532 PolarHBondContact N-O 3.17Å; L179-I532 PolarHBondContact O-N 3.13Å; L179-W534 HydrophobicContact CB-CZ3 4.2Å; L179-W534 HydrophobicContact CD1-CH2 3.37Å; L179-W534 HydrophobicContact CD1-CZ3 3.53Å; L179-W534 HydrophobicContact CD2-CH2 4.47Å; L179-W534 HydrophobicContact CG-CH2 3.54Å; L179-W534 HydrophobicContact CG-CZ3 3.58Å
180	V	97.3	Very high	96.3	Very high	25 Å²	25	50 Å²	50	15%	0.152	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.9	163.7	-178	0	0	0	0	107.1	G165 L166 I168 I529 T531	G165-V180 CarbonylContact C-O 3.59Å; G165-V180 WeakPolarHBondContact CA-O 2.78Å; L166-V180 HydrophobicContact CB-CB 4.1Å; L166-V180 HydrophobicContact CB-CG2 4.36Å; L166-V180 PolarHBondContact N-O 3.43Å; L166-V180 PolarHBondContact O-N 3.32Å; I168-V180 HydrophobicContact CD1-CG2 3.62Å; I168-V180 HydrophobicContact CG1-CG2 4.38Å; V180-I529 HydrophobicContact CG1-CG2 3.39Å; V180-T531 HydrophobicContact CG2-CG2 4.47Å
181	A	96.2	Very high	96.5	Very high	30 Å²	30	49.9 Å²	49.9	25%	0.248	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147.6	177.4	0	0	0	0	0	110.3	K530	A181-K530 PolarHBondContact N-O 3.39Å; A181-K530 PolarHBondContact O-N 3.08Å
182	Q	96.1	Very high	96.6	Very high	43 Å²	43	41.6 Å²	41.6	20%	0.201	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.1	172.7	-59.2	-69.1	-5.7	0	0	109.4	V163 M527	V163-Q182 HydrophobicContact CG1-CB 3.59Å; V163-Q182 HydrophobicContact CG1-CG 4.13Å; Q182-M527 HydrophobicContact CB-CB 4.38Å; Q182-M527 HydrophobicContact CB-SD 3.6Å; Q182-M527 HydrophobicContact CG-SD 4.35Å
183	Q	96.6	Very high	96.8	Very high	64 Å²	64	37.5 Å²	37.5	30%	0.299	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.8	179.4	-55.3	-160.2	-56.9	0	0	110.9	I185 M527 D528 K530	Q183-I185 PolarHBondContact O-N 3.22Å; Q183-M527 CarbonylContact O-C 3.55Å; Q183-M527 WeakPolarHBondContact O-CA 3.46Å; Q183-M527 WeakPolarHBondContact O-CB 3.21Å; Q183-D528 PolarHBondContact N-O 2.95Å; Q183-D528 PolarHBondContact O-N 2.78Å; Q183-K530 HydrophobicContact CG-CB 4.35Å
184	P	97.8	Very high	97.1	Very high	28 Å²	28	38.4 Å²	38.4	18%	0.182	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	136.4	173.7	20.5	-30.4	0	0	0	111.1	R102 G186 S211	R102-P184 HydrophobicContact CB-CG 3.93Å; P184-G186 PolarHBondContact O-N 3.24Å; P184-S211 WeakPolarHBondContact CB-O 3.48Å
185	I	97.8	Very high	97.3	Very high	20 Å²	20	29.8 Å²	29.8	10%	0.103	15%	0.15	C	C	.	.			trans	-68.2	-25	-178.3	-158.1	178.9	0	0	0	112.4	Q183 V188 R271 L272 R295 F526	Q183-I185 PolarHBondContact O-N 3.22Å; I185-V188 HydrophobicContact CG2-CG1 3.8Å; I185-R271 HydrophobicContact CD1-CB 4.06Å; I185-R271 HydrophobicContact CG1-CB 3.81Å; I185-R271 HydrophobicContact CG2-CB 4.33Å; I185-R271 WeakPolarHBondContact O-CG 3.31Å; I185-L272 HydrophobicContact CD1-CB 4.44Å; I185-L272 HydrophobicContact CG2-CB 4.22Å; I185-R295 HydrophobicContact CD1-CB 3.85Å; I185-F526 PolarHBondContact N-O 2.84Å
186	G	98.4	Very high	97.5	Very high	9 Å²	9	29.8 Å²	29.8	9%	0.093	15%	0.146	C	C	.	.			trans	127.6	-128.1	174.5	0	0	0	0	0	113.2	P184 C213 S214	P184-G186 PolarHBondContact O-N 3.24Å; G186-C213 VanDerWaalsContact O-CA 3.23Å; G186-C213 WeakPolarHBondContact O-CA 3.47Å; G186-C213 WeakPolarHBondContact O-CB 3.15Å; G186-C213 PolarHBondContact O-SG 2.88Å; G186-S214 PolarHBondContact O-N 3.3Å
187	V	98.8	Very high	97.7	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.018	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.6	176.8	-177.1	0	0	0	0	109.5	A94 Q98 I216 I269 V270 R271	A94-V187 HydrophobicContact CB-CG1 3.86Å; A94-V187 HydrophobicContact CB-CG2 4.34Å; Q98-V187 HydrophobicContact CB-CG2 4.43Å; V187-I216 HydrophobicContact CG1-CD1 3.85Å; V187-I216 HydrophobicContact CG1-CG1 4.36Å; V187-I269 HydrophobicContact CB-CG2 4.08Å; V187-I269 HydrophobicContact CG2-CG2 3.7Å; V187-V270 HydrophobicContact CG1-CG2 4.39Å; V187-R271 PolarHBondContact O-N 3.08Å
188	V	98.8	Very high	97.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.9	-179.8	-51.4	0	0	0	0	111.6	I185 V190 A208 C213 S214 A215 I216 L272 F526	I185-V188 HydrophobicContact CG2-CG1 3.8Å; V188-V190 HydrophobicContact CG2-CG2 4.15Å; V188-A208 HydrophobicContact CG2-CB 3.86Å; V188-C213 HydrophobicContact CG1-CB 4.12Å; V188-C213 HydrophobicContact CG2-CB 4.47Å; V188-S214 WeakPolarHBondContact CG2-O 3.45Å; V188-S214 PolarHBondContact N-O 2.74Å; V188-A215 HydrophobicContact CG2-CB 4.13Å; V188-A215 WeakPolarHBondContact O-CA 3.28Å; V188-I216 PolarHBondContact O-N 2.8Å; V188-L272 HydrophobicContact CB-CB 4.14Å; V188-L272 HydrophobicContact CB-CD2 4.18Å; V188-L272 HydrophobicContact CG1-CB 3.73Å; V188-L272 HydrophobicContact CG1-CD2 4.36Å; V188-F526 HydrophobicContact CG1-CD1 4.19Å; V188-F526 HydrophobicContact CG2-CD1 4.37Å; V188-F526 HydrophobicContact CG2-CE1 4.28Å
189	G	98.7	Very high	98	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	131.7	170.7	0	0	0	0	0	110	L272 G274	G189-L272 PolarHBondContact N-O 3.46Å; G189-G274 PolarHBondContact O-N 2.97Å
190	V	98.6	Very high	98	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	116.1	-177.4	179.3	0	0	0	0	109.6	V188 T192 K204 V205 I216 I217 K218 G274	V188-V190 HydrophobicContact CG2-CG2 4.15Å; V190-T192 HydrophobicContact CG1-CG2 3.88Å; V190-K204 HydrophobicContact CG1-CB 3.9Å; V190-K204 HydrophobicContact CG1-CD 3.51Å; V190-K204 HydrophobicContact CG1-CG 4.39Å; V190-V205 HydrophobicContact CG1-CG2 4.35Å; V190-V205 HydrophobicContact CG2-CG2 4.39Å; V190-I216 PolarHBondContact N-O 2.67Å; V190-I217 CarbonylContact O-C 3.53Å; V190-I217 WeakPolarHBondContact O-CA 3.49Å; V190-K218 PolarHBondContact O-N 3.23Å; V190-G274 CarbonylContact C-O 3.54Å; V190-G274 VanDerWaalsContact CA-O 3.32Å; V190-G274 WeakPolarHBondContact CA-O 3.32Å
191	I	98.6	Very high	98.1	Very high	18 Å²	18	16.3 Å²	16.3	9%	0.092	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.9	176.6	-59.2	169.6	0	0	0	108	K218 L264 G274 F275 T276 L285	I191-K218 WeakPolarHBondContact CA-O 3.48Å; I191-K218 HydrophobicContact CG1-CB 4.24Å; I191-K218 HydrophobicContact CG2-CD 4.49Å; I191-L264 HydrophobicContact CD1-CD1 4.36Å; I191-L264 HydrophobicContact CG1-CD1 4.07Å; I191-G274 PolarHBondContact N-O 3.49Å; I191-F275 HydrophobicContact CB-CD2 3.85Å; I191-F275 HydrophobicContact CG2-CD2 3.72Å; I191-F275 HydrophobicContact CG2-CE2 3.99Å; I191-F275 WeakPolarHBondContact O-CA 3.33Å; I191-T276 PolarHBondContact O-N 2.94Å; I191-L285 HydrophobicContact CD1-CD1 3.84Å; I191-L285 HydrophobicContact CD1-CD2 4.19Å
192	T	98.4	Very high	98.2	Very high	4 Å²	4	14.9 Å²	14.9	3%	0.025	8%	0.076	C	C	.	.			trans	-112.8	151	-174.6	54.3	0	0	0	0	112.8	V190 M200 V201 K218 A220	V190-T192 HydrophobicContact CG1-CG2 3.88Å; T192-M200 HydrophobicContact CG2-CB 4.08Å; T192-V201 HydrophobicContact CG2-CG2 3.86Å; T192-K218 PolarHBondContact N-O 3.25Å; T192-K218 VanDerWaalsContact N-O 3.17Å; T192-A220 PolarHBondContact O-N 3.09Å
193	P	98	Very high	98.3	Very high	15 Å²	15	13.9 Å²	13.9	10%	0.097	7%	0.07	C	C	.	.			trans	-85	167.7	-178.8	37.6	-39	0	0	0	111.2	N195 M200 T276	P193-N195 WeakPolarHBondContact CB-OD1 3.13Å; P193-N195 WeakPolarHBondContact CG-OD1 3.36Å; P193-M200 HydrophobicContact CG-CB 4.43Å; P193-M200 HydrophobicContact CG-CG 3.83Å; P193-T276 WeakPolarHBondContact CD-O 3.41Å; P193-T276 HydrophobicContact CG-CG2 3.84Å
194	W	98.2	Very high	98.3	Very high	45 Å²	45	10.9 Å²	10.9	17%	0.17	6%	0.056	C	C	.	.	S	Bend	trans	-79.7	-21.4	179.6	51.8	-103.6	0	0	0	114.3	N135 F196 P197 A220 D222 T223 Q331 I376 F442	N135-W194 PolarHBondContact ND2-O 2.88Å; W194-F196 VanDerWaalsContact C-N 3.31Å; W194-F196 PolarHBondContact O-N 3.41Å; W194-P197 WeakPolarHBondContact O-CD 3.36Å; W194-A220 HydrophobicContact CB-CB 3.61Å; W194-A220 HydrophobicContact CG-CB 4.42Å; W194-D222 HydrophobicContact CB-CB 4.03Å; W194-T223 WeakPolarHBondContact CA-OG1 3.37Å; W194-T223 HydrophobicContact CB-CG2 3.97Å; W194-T223 WeakPolarHBondContact O-CG2 3.49Å; W194-T223 PolarHBondContact O-OG1 2.68Å; W194-Q331 HydrophobicContact CH2-CB 3.69Å; W194-Q331 HydrophobicContact CH2-CG 3.82Å; W194-Q331 HydrophobicContact CZ3-CB 3.86Å; W194-Q331 HydrophobicContact CZ3-CG 4.2Å; W194-I376 HydrophobicContact CB-CG1 4.43Å; W194-I376 HydrophobicContact CD2-CB 3.98Å; W194-I376 HydrophobicContact CD2-CG1 3.81Å; W194-I376 HydrophobicContact CD2-CG2 3.85Å; W194-I376 HydrophobicContact CE3-CB 3.58Å; W194-I376 HydrophobicContact CE3-CD1 4.01Å; W194-I376 HydrophobicContact CE3-CG1 3.63Å; W194-I376 HydrophobicContact CE3-CG2 3.87Å; W194-I376 HydrophobicContact CG-CG1 4.14Å; W194-I376 HydrophobicContact CH2-CB 3.88Å; W194-I376 HydrophobicContact CH2-CG2 3.51Å; W194-I376 HydrophobicContact CZ2-CB 4.25Å; W194-I376 HydrophobicContact CZ2-CG2 3.47Å; W194-I376 VanDerWaalsContact CZ2-CG2 3.47Å; W194-I376 HydrophobicContact CZ3-CB 3.55Å; W194-I376 HydrophobicContact CZ3-CG1 4.16Å; W194-I376 HydrophobicContact CZ3-CG2 3.73Å; W194-F442 AromaticContact CH2-CD1 3.67Å; W194-F442 HydrophobicContact CH2-CD1 3.67Å; W194-F442 AromaticContact CH2-CE1 3.36Å; W194-F442 HydrophobicContact CH2-CE1 3.36Å; W194-F442 AromaticContact CZ2-CD1 3.72Å; W194-F442 HydrophobicContact CZ2-CD1 3.72Å; W194-F442 AromaticContact CZ2-CE1 3.42Å; W194-F442 HydrophobicContact CZ2-CE1 3.42Å; W194-F442 VanDerWaalsContact CZ2-CE1 3.42Å; W194-F442 HydrophobicContact CZ3-CE1 4.28Å
195	N	98.3	Very high	98.4	Very high	9 Å²	9	9.6 Å²	9.6	5%	0.048	5%	0.048	C	C	.	.	S	Bend	trans	-76.5	-19.2	-169.6	67.9	-33	0	0	0	113.5	K137 P193 Q331 F442	K137-N195 WeakPolarHBondContact CE-O 3.22Å; K137-N195 PolarHBondContact NZ-O 3.38Å; P193-N195 WeakPolarHBondContact CB-OD1 3.13Å; P193-N195 WeakPolarHBondContact CG-OD1 3.36Å; N195-Q331 WeakPolarHBondContact CB-O 3.01Å; N195-Q331 PolarHBondContact ND2-O 2.86Å; N195-F442 HydrophobicContact CB-CE1 4.28Å; N195-F442 HydrophobicContact CB-CZ 4.37Å
196	F	98.6	Very high	98.4	Very high	33 Å²	33	8.6 Å²	8.6	15%	0.145	4%	0.043	C	C	.	.	S	Bend	trans	-143	69.7	174.8	-71	-79.6	0	0	0	109.6	E145 W194 L198 M200 T332	E145-F196 HydrophobicContact CB-CD1 4.32Å; E145-F196 HydrophobicContact CG-CD1 3.95Å; E145-F196 WeakPolarHBondContact OE1-CA 3.24Å; W194-F196 VanDerWaalsContact C-N 3.31Å; W194-F196 PolarHBondContact O-N 3.41Å; F196-L198 PolarHBondContact O-N 3.49Å; F196-M200 HydrophobicContact CB-CE 4.31Å; F196-M200 HydrophobicContact CB-CG 3.64Å; F196-M200 VanDerWaalsContact O-CB 3.31Å; F196-M200 WeakPolarHBondContact O-CB 3.04Å; F196-M200 WeakPolarHBondContact O-CG 3.01Å; F196-M200 PolarHBondContact O-N 2.76Å; F196-T332 HydrophobicContact CE2-CG2 3.87Å; F196-T332 HydrophobicContact CZ-CG2 3.74Å
197	P	98.7	Very high	98.4	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.006	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.7	-168.4	29.8	-36	0	0	0	114.4	I131 E134 E145 W194 V201 T223 T226 S227	I131-P197 HydrophobicContact CG1-CG 4.4Å; E134-P197 WeakPolarHBondContact OE1-CG 3.39Å; E145-P197 VanDerWaalsContact OE1-CD 3.27Å; E145-P197 WeakPolarHBondContact OE1-CD 3.31Å; W194-P197 WeakPolarHBondContact O-CD 3.36Å; P197-V201 WeakPolarHBondContact O-CG2 3.16Å; P197-T223 WeakPolarHBondContact CB-OG1 3.34Å; P197-T226 HydrophobicContact CB-CG2 4.22Å; P197-T226 HydrophobicContact CG-CG2 4.15Å; P197-S227 PolarHBondContact O-OG 2.88Å
198	L	98.8	Very high	98.3	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-59.1	175.4	-169.3	151.4	0	0	0	110.9	I120 L127 I131 E145 V146 F196 M200 V201 T202 T226 I230	I120-L198 HydrophobicContact CG2-CD1 4.4Å; L127-L198 HydrophobicContact CB-CD1 4.44Å; L127-L198 HydrophobicContact CD1-CD1 4.11Å; L127-L198 HydrophobicContact CD2-CD1 4.5Å; I131-L198 HydrophobicContact CD1-CB 3.99Å; I131-L198 HydrophobicContact CD1-CD1 4.19Å; E145-L198 HydrophobicContact CG-CB 4.31Å; E145-L198 PolarHBondContact OE1-N 3.43Å; V146-L198 HydrophobicContact CB-CD1 4.37Å; V146-L198 HydrophobicContact CG1-CD1 4.18Å; V146-L198 HydrophobicContact CG2-CD1 4.08Å; F196-L198 PolarHBondContact O-N 3.49Å; L198-M200 VanDerWaalsContact C-N 3.3Å; L198-M200 PolarHBondContact O-N 2.88Å; L198-V201 PolarHBondContact O-N 3.26Å; L198-V201 VanDerWaalsContact O-N 3.17Å; L198-T202 HydrophobicContact CD2-CG2 4Å; L198-T202 PolarHBondContact O-N 2.9Å; L198-T202 PolarHBondContact O-OG1 3.03Å; L198-T226 HydrophobicContact CB-CG2 3.58Å; L198-T226 HydrophobicContact CD1-CG2 4.18Å; L198-T226 HydrophobicContact CG-CG2 4.23Å; L198-I230 HydrophobicContact CD1-CG2 3.64Å; L198-I230 HydrophobicContact CG-CD1 4.29Å; L198-I230 HydrophobicContact CG-CG2 3.78Å
199	S	98.2	Very high	98.3	Very high	7 Å²	7	8.1 Å²	8.1	5%	0.049	4%	0.038	C	C	.	.	H	α-helix	trans	-70.2	-26.7	-167.1	66.7	0	0	0	0	112.9	E145 T202 R203	E145-S199 PolarHBondContact OE1-N 3.03Å; E145-S199 VanDerWaalsContact OE1-N 3.1Å; S199-T202 PolarHBondContact O-OG1 3.2Å; S199-R203 WeakPolarHBondContact O-CB 3.35Å; S199-R203 PolarHBondContact O-N 2.57Å
200	M	98.2	Very high	98.3	Very high	14 Å²	14	8.1 Å²	8.1	7%	0.069	4%	0.038	C	C	.	.	H	α-helix	trans	-71.2	-37.3	174.4	-63.9	-64.8	98.4	0	0	112	T192 P193 F196 L198 K204 T276	T192-M200 HydrophobicContact CG2-CB 4.08Å; P193-M200 HydrophobicContact CG-CB 4.43Å; P193-M200 HydrophobicContact CG-CG 3.83Å; F196-M200 HydrophobicContact CB-CE 4.31Å; F196-M200 HydrophobicContact CB-CG 3.64Å; F196-M200 VanDerWaalsContact O-CB 3.31Å; F196-M200 WeakPolarHBondContact O-CB 3.04Å; F196-M200 WeakPolarHBondContact O-CG 3.01Å; F196-M200 PolarHBondContact O-N 2.76Å; L198-M200 VanDerWaalsContact C-N 3.3Å; L198-M200 PolarHBondContact O-N 2.88Å; M200-K204 PolarHBondContact O-N 2.86Å; M200-T276 HydrophobicContact SD-CG2 4.03Å
201	V	98.6	Very high	98.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65.3	-55.8	174.3	174.5	0	0	0	0	109.2	T192 P197 L198 R203 K204 V205 I217 S227 I230	T192-V201 HydrophobicContact CG2-CG2 3.86Å; P197-V201 WeakPolarHBondContact O-CG2 3.16Å; L198-V201 PolarHBondContact O-N 3.26Å; L198-V201 VanDerWaalsContact O-N 3.17Å; V201-R203 VanDerWaalsContact C-N 3.28Å; V201-R203 PolarHBondContact O-N 2.97Å; V201-K204 PolarHBondContact O-N 2.9Å; V201-V205 HydrophobicContact CG1-CB 4.46Å; V201-V205 HydrophobicContact CG1-CG2 4.07Å; V201-V205 WeakPolarHBondContact O-CB 3.44Å; V201-V205 VanDerWaalsContact O-CG2 3.28Å; V201-V205 WeakPolarHBondContact O-CG2 3.03Å; V201-V205 PolarHBondContact O-N 3.2Å; V201-I217 HydrophobicContact CG1-CD1 3.65Å; V201-I217 HydrophobicContact CG2-CG2 4.31Å; V201-S227 WeakPolarHBondContact CG2-OG 3.27Å; V201-I230 HydrophobicContact CB-CD1 3.62Å; V201-I230 HydrophobicContact CG1-CD1 3.56Å; V201-I230 HydrophobicContact CG1-CG1 4.42Å; V201-I230 HydrophobicContact CG2-CD1 4.26Å
202	T	98.5	Very high	98.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-65.6	-31.4	-175.4	62.2	0	0	0	0	112.9	W116 I120 G149 L153 L198 S199 G206 I230	W116-T202 HydrophobicContact CZ2-CG2 4.49Å; I120-T202 HydrophobicContact CD1-CG2 3.91Å; G149-T202 WeakPolarHBondContact CA-OG1 3.23Å; G149-T202 WeakPolarHBondContact O-CB 3.32Å; G149-T202 PolarHBondContact O-OG1 3.14Å; G149-T202 VanDerWaalsContact O-OG1 3.1Å; L153-T202 HydrophobicContact CD1-CG2 3.98Å; L153-T202 HydrophobicContact CD2-CG2 4.3Å; L153-T202 HydrophobicContact CG-CG2 4.12Å; L198-T202 HydrophobicContact CD2-CG2 4Å; L198-T202 PolarHBondContact O-N 2.9Å; L198-T202 PolarHBondContact O-OG1 3.03Å; S199-T202 PolarHBondContact O-OG1 3.2Å; T202-G206 VanDerWaalsContact O-CA 3.24Å; T202-G206 WeakPolarHBondContact O-CA 3.1Å; T202-G206 PolarHBondContact O-N 2.68Å; T202-I230 HydrophobicContact CG2-CD1 4.13Å
203	R	97.6	Very high	98.2	Very high	21 Å²	21	7.1 Å²	7.1	8%	0.079	3%	0.033	C	C	.	.	H	α-helix	trans	-65.3	-53.6	174.9	-176	-173.4	-69.3	-168.9	-3.5	112.2	A152 Y156 S199 V201 S500 F506 E517	A152-R203 HydrophobicContact CB-CB 4.41Å; Y156-R203 WeakPolarHBondContact CE2-O 3.37Å; S199-R203 WeakPolarHBondContact O-CB 3.35Å; S199-R203 PolarHBondContact O-N 2.57Å; V201-R203 VanDerWaalsContact C-N 3.28Å; V201-R203 PolarHBondContact O-N 2.97Å; R203-S500 PolarHBondContact NH2-OG 3.23Å; R203-F506 VanDerWaalsContact NH1-CG 3.34Å; R203-E517 WeakPolarHBondContact CD-OE2 3.33Å; R203-E517 HydrophobicContact CG-CB 4.33Å
204	K	97.6	Very high	98.3	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.009	3%	0.028	C	C	.	.	H	α-helix	trans	-71.5	-46.2	-179.2	-70.9	-176.6	-174.1	-80.9	0	112	V190 M200 V201 A208 F275 T276 E517 F526	V190-K204 HydrophobicContact CG1-CB 3.9Å; V190-K204 HydrophobicContact CG1-CD 3.51Å; V190-K204 HydrophobicContact CG1-CG 4.39Å; M200-K204 PolarHBondContact O-N 2.86Å; V201-K204 PolarHBondContact O-N 2.9Å; K204-A208 PolarHBondContact O-N 3.43Å; K204-F275 VanDerWaalsContact NZ-C 3.32Å; K204-F275 PolarHBondContact NZ-O 3.35Å; K204-F275 VanDerWaalsContact NZ-O 3.11Å; K204-T276 WeakPolarHBondContact CE-OG1 3.32Å; K204-T276 PolarHBondContact NZ-OG1 3.26Å; K204-E517 WeakPolarHBondContact CE-OE1 3.5Å; K204-E517 IonicContact NZ-OE1 2.74Å; K204-E517 PolarHBondContact NZ-OE1 3.37Å; K204-F526 WeakPolarHBondContact O-CZ 3.38Å
205	V	98.3	Very high	98.3	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-76.5	-34.9	-173.3	177.5	0	0	0	0	111.1	W116 V190 V201 A207 A208 L209 A215 I217 L245	W116-V205 HydrophobicContact CH2-CB 4.46Å; W116-V205 HydrophobicContact CH2-CG1 3.99Å; W116-V205 HydrophobicContact CZ3-CG1 4.08Å; V190-V205 HydrophobicContact CG1-CG2 4.35Å; V190-V205 HydrophobicContact CG2-CG2 4.39Å; V201-V205 HydrophobicContact CG1-CB 4.46Å; V201-V205 HydrophobicContact CG1-CG2 4.07Å; V201-V205 WeakPolarHBondContact O-CB 3.44Å; V201-V205 VanDerWaalsContact O-CG2 3.28Å; V201-V205 WeakPolarHBondContact O-CG2 3.03Å; V201-V205 PolarHBondContact O-N 3.2Å; V205-A207 VanDerWaalsContact C-N 3.33Å; V205-A207 PolarHBondContact O-N 2.71Å; V205-A208 PolarHBondContact O-N 3.19Å; V205-L209 HydrophobicContact CG1-CD1 4.11Å; V205-L209 HydrophobicContact CG1-CD2 4.44Å; V205-L209 HydrophobicContact CG1-CG 3.89Å; V205-L209 WeakPolarHBondContact O-CB 3.26Å; V205-L209 VanDerWaalsContact O-CG 3.32Å; V205-L209 WeakPolarHBondContact O-CG 3.36Å; V205-L209 PolarHBondContact O-N 3.38Å; V205-A215 HydrophobicContact CG1-CB 4.06Å; V205-A215 HydrophobicContact CG2-CB 4.16Å; V205-I217 HydrophobicContact CG2-CD1 3.9Å; V205-I217 HydrophobicContact CG2-CG1 3.85Å; V205-L245 HydrophobicContact CG1-CD1 3.59Å
206	G	98.1	Very high	98.3	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-55.1	-48.4	172.1	0	0	0	0	0	111.8	T202 A210	T202-G206 VanDerWaalsContact O-CA 3.24Å; T202-G206 WeakPolarHBondContact O-CA 3.1Å; T202-G206 PolarHBondContact O-N 2.68Å; G206-A210 WeakPolarHBondContact O-CB 3.07Å; G206-A210 PolarHBondContact O-N 3.4Å
207	A	97.9	Very high	98.3	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-62.3	-48.4	174.4	0	0	0	0	0	112.1	Y156 V205 L209 A210 S211 L523 F526	Y156-A207 HydrophobicContact CD1-CB 3.88Å; Y156-A207 HydrophobicContact CD2-CB 4.22Å; Y156-A207 HydrophobicContact CE1-CB 3.62Å; Y156-A207 HydrophobicContact CE2-CB 3.99Å; Y156-A207 HydrophobicContact CG-CB 4.18Å; V205-A207 VanDerWaalsContact C-N 3.33Å; V205-A207 PolarHBondContact O-N 2.71Å; A207-L209 PolarHBondContact O-N 3.3Å; A207-A210 PolarHBondContact O-N 3.29Å; A207-S211 PolarHBondContact O-N 2.95Å; A207-L523 WeakPolarHBondContact O-CD1 3.17Å; A207-F526 HydrophobicContact CB-CD2 3.74Å; A207-F526 HydrophobicContact CB-CE2 3.49Å; A207-F526 VanDerWaalsContact CB-CE2 3.49Å; A207-F526 HydrophobicContact CB-CZ 4.38Å
208	A	98.2	Very high	98.3	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-56.8	-49.8	178.7	0	0	0	0	0	111.8	V188 K204 V205 S211 G212 C213 F526	V188-A208 HydrophobicContact CG2-CB 3.86Å; K204-A208 PolarHBondContact O-N 3.43Å; V205-A208 PolarHBondContact O-N 3.19Å; A208-S211 PolarHBondContact O-N 3.11Å; A208-S211 PolarHBondContact O-OG 3.25Å; A208-G212 PolarHBondContact O-N 3.4Å; A208-C213 HydrophobicContact CB-CB 4.23Å; A208-C213 VanDerWaalsContact O-CB 3.29Å; A208-C213 WeakPolarHBondContact O-CB 3.33Å; A208-C213 PolarHBondContact O-N 3.32Å; A208-F526 HydrophobicContact CB-CD1 3.71Å; A208-F526 HydrophobicContact CB-CE1 3.73Å; A208-F526 HydrophobicContact CB-CG 4.27Å; A208-F526 HydrophobicContact CB-CZ 4.31Å
209	L	98.6	Very high	98.3	Very high	1 Å²	1	2.8 Å²	2.8	1%	0.005	1%	0.013	C	C	.	.	H	α-helix	trans	-68.1	-39.5	-179.5	-61.3	-163	0	0	0	111.9	W101 I113 W116 V205 A207 S211 G212 C213 I240 V244	W101-L209 PolarHBondContact NE1-O 2.83Å; I113-L209 HydrophobicContact CD1-CB 4.02Å; I113-L209 HydrophobicContact CG1-CB 4.36Å; W116-L209 HydrophobicContact CZ3-CD1 4.33Å; V205-L209 HydrophobicContact CG1-CD1 4.11Å; V205-L209 HydrophobicContact CG1-CD2 4.44Å; V205-L209 HydrophobicContact CG1-CG 3.89Å; V205-L209 WeakPolarHBondContact O-CB 3.26Å; V205-L209 VanDerWaalsContact O-CG 3.32Å; V205-L209 WeakPolarHBondContact O-CG 3.36Å; V205-L209 PolarHBondContact O-N 3.38Å; A207-L209 PolarHBondContact O-N 3.3Å; L209-S211 PolarHBondContact O-N 2.9Å; L209-G212 PolarHBondContact O-N 2.84Å; L209-C213 WeakPolarHBondContact CD2-O 3.29Å; L209-I240 HydrophobicContact CD1-CD1 3.9Å; L209-I240 HydrophobicContact CD1-CG1 4.46Å; L209-I240 HydrophobicContact CD1-CG2 4.26Å; L209-V244 HydrophobicContact CD1-CG1 4.25Å; L209-V244 HydrophobicContact CD2-CG1 3.49Å; L209-V244 VanDerWaalsContact CD2-CG1 3.49Å; L209-V244 HydrophobicContact CG-CG1 4.43Å
210	A	98.2	Very high	98.3	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-58.5	-37.7	175.8	0	0	0	0	0	111.6	R109 I113 Y156 A160 G206 A207 G212 L523	R109-A210 PolarHBondContact NE-O 3.48Å; R109-A210 PolarHBondContact NH2-O 3.22Å; I113-A210 VanDerWaalsContact CD1-CA 3.43Å; I113-A210 HydrophobicContact CD1-CB 3.73Å; I113-A210 VanDerWaalsContact CD1-N 3.3Å; Y156-A210 VanDerWaalsContact O-CB 3.27Å; Y156-A210 WeakPolarHBondContact O-CB 3.37Å; A160-A210 HydrophobicContact CB-CB 3.89Å; G206-A210 WeakPolarHBondContact O-CB 3.07Å; G206-A210 PolarHBondContact O-N 3.4Å; A207-A210 PolarHBondContact O-N 3.29Å; A210-G212 VanDerWaalsContact C-N 3.25Å; A210-G212 PolarHBondContact O-N 3.12Å; A210-L523 HydrophobicContact CB-CD1 3.56Å
211	S	97.7	Very high	98.2	Very high	1 Å²	1	5 Å²	5	1%	0.007	2%	0.024	C	C	.	.	H	α-helix	trans	-69.7	-21.6	177.5	76.2	0	0	0	0	113.9	P184 A207 A208 L209 C213 F526	P184-S211 WeakPolarHBondContact CB-O 3.48Å; A207-S211 PolarHBondContact O-N 2.95Å; A208-S211 PolarHBondContact O-N 3.11Å; A208-S211 PolarHBondContact O-OG 3.25Å; L209-S211 PolarHBondContact O-N 2.9Å; S211-C213 PolarHBondContact OG-N 3.03Å; S211-C213 PolarHBondContact OG-SG 3.49Å; S211-F526 WeakPolarHBondContact OG-CB 3.46Å
212	G	98.3	Very high	98.1	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.6	15.1	-172	0	0	0	0	0	113.9	Q98 A208 L209 A210	Q98-G212 PolarHBondContact NE2-O 3.37Å; A208-G212 PolarHBondContact O-N 3.4Å; L209-G212 PolarHBondContact O-N 2.84Å; A210-G212 VanDerWaalsContact C-N 3.25Å; A210-G212 PolarHBondContact O-N 3.12Å
213	C	98.8	Very high	98.1	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.			trans	-82	160.3	170.3	-63.9	0	0	0	0	111.3	W101 G186 V188 A208 L209 S211 F526	W101-C213 VanDerWaalsContact CD1-O 3.28Å; G186-C213 VanDerWaalsContact O-CA 3.23Å; G186-C213 WeakPolarHBondContact O-CA 3.47Å; G186-C213 WeakPolarHBondContact O-CB 3.15Å; G186-C213 PolarHBondContact O-SG 2.88Å; V188-C213 HydrophobicContact CG1-CB 4.12Å; V188-C213 HydrophobicContact CG2-CB 4.47Å; A208-C213 HydrophobicContact CB-CB 4.23Å; A208-C213 VanDerWaalsContact O-CB 3.29Å; A208-C213 WeakPolarHBondContact O-CB 3.33Å; A208-C213 PolarHBondContact O-N 3.32Å; L209-C213 WeakPolarHBondContact CD2-O 3.29Å; S211-C213 PolarHBondContact OG-N 3.03Å; S211-C213 PolarHBondContact OG-SG 3.49Å; C213-F526 PolarHBondContact SG-O 3.08Å; C213-F526 VanDerWaalsContact SG-O 3.39Å
214	S	98.8	Very high	98.2	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	147.7	161.7	61.3	0	0	0	0	109.4	A94 Q98 G186 V188 V244	A94-S214 PolarHBondContact O-OG 3.43Å; Q98-S214 WeakPolarHBondContact CB-OG 3.26Å; G186-S214 PolarHBondContact O-N 3.3Å; V188-S214 WeakPolarHBondContact CG2-O 3.45Å; V188-S214 PolarHBondContact N-O 2.74Å; S214-V244 CarbonylContact C-O 3.58Å; S214-V244 VanDerWaalsContact CA-O 3.22Å; S214-V244 WeakPolarHBondContact CA-O 3.36Å; S214-V244 WeakPolarHBondContact CB-O 3.2Å
215	A	98.8	Very high	98.2	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.2	-176.4	0	0	0	0	0	112.6	V188 V205 V244 N246	V188-A215 HydrophobicContact CG2-CB 4.13Å; V188-A215 WeakPolarHBondContact O-CA 3.28Å; V205-A215 HydrophobicContact CG1-CB 4.06Å; V205-A215 HydrophobicContact CG2-CB 4.16Å; A215-V244 PolarHBondContact N-O 3.29Å; A215-N246 PolarHBondContact O-N 2.69Å; A215-N246 PolarHBondContact O-ND2 2.94Å
216	I	98.8	Very high	98.2	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	111.8	169.2	-54.7	166.6	0	0	0	107.1	V91 A94 V187 V188 V190 V248 L264	V91-I216 HydrophobicContact CB-CD1 4.03Å; V91-I216 HydrophobicContact CG2-CD1 3.4Å; V91-I216 VanDerWaalsContact CG2-CD1 3.4Å; A94-I216 HydrophobicContact CB-CD1 4.19Å; A94-I216 HydrophobicContact CB-CG1 4.09Å; V187-I216 HydrophobicContact CG1-CD1 3.85Å; V187-I216 HydrophobicContact CG1-CG1 4.36Å; V188-I216 PolarHBondContact O-N 2.8Å; V190-I216 PolarHBondContact N-O 2.67Å; I216-V248 HydrophobicContact CG2-CG2 3.9Å; I216-L264 HydrophobicContact CB-CD2 4.17Å; I216-L264 HydrophobicContact CD1-CD2 4.31Å; I216-L264 HydrophobicContact CG2-CD2 4.06Å
217	I	98.7	Very high	98.3	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.7	-176.2	-55	158.6	0	0	0	109.3	V190 V201 V205 L245 N246 V247 V248	V190-I217 CarbonylContact O-C 3.53Å; V190-I217 WeakPolarHBondContact O-CA 3.49Å; V201-I217 HydrophobicContact CG1-CD1 3.65Å; V201-I217 HydrophobicContact CG2-CG2 4.31Å; V205-I217 HydrophobicContact CG2-CD1 3.9Å; V205-I217 HydrophobicContact CG2-CG1 3.85Å; I217-L245 HydrophobicContact CD1-CD1 3.43Å; I217-L245 VanDerWaalsContact CD1-CD1 3.43Å; I217-L245 HydrophobicContact CD1-CG 4.48Å; I217-L245 HydrophobicContact CG1-CD1 4.29Å; I217-N246 WeakPolarHBondContact CB-O 3.42Å; I217-N246 PolarHBondContact N-O 3.4Å; I217-V247 HydrophobicContact CB-CG2 4.24Å; I217-V247 HydrophobicContact CD1-CG2 3.94Å; I217-V247 CarbonylContact O-C 3.55Å; I217-V247 WeakPolarHBondContact O-CA 3.13Å; I217-V248 PolarHBondContact O-N 3.01Å
218	K	98.4	Very high	98.3	Very high	12 Å²	12	6 Å²	6	5%	0.052	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	103.2	158.4	-169.6	-88	163.7	-165.5	0	107.9	V190 I191 T192 E221 I260	V190-K218 PolarHBondContact O-N 3.23Å; I191-K218 WeakPolarHBondContact CA-O 3.48Å; I191-K218 HydrophobicContact CG1-CB 4.24Å; I191-K218 HydrophobicContact CG2-CD 4.49Å; T192-K218 PolarHBondContact N-O 3.25Å; T192-K218 VanDerWaalsContact N-O 3.17Å; K218-E221 IonicContact NZ-OE2 2.75Å; K218-E221 PolarHBondContact NZ-OE2 3.2Å; K218-I260 HydrophobicContact CB-CG2 3.9Å; K218-I260 HydrophobicContact CG-CB 4.43Å; K218-I260 HydrophobicContact CG-CD1 4.39Å; K218-I260 HydrophobicContact CG-CG2 3.84Å
219	P	98.3	Very high	98.3	Very high	1 Å²	1	6 Å²	6	1%	0.006	3%	0.031	C	C	.	.			trans	-75.1	161.5	175.2	32.9	-34.2	0	0	0	111	P224 S227 V247 T249	P219-P224 HydrophobicContact CG-CB 4.18Å; P219-S227 WeakPolarHBondContact CB-OG 3.24Å; P219-V247 HydrophobicContact CG-CG1 3.95Å; P219-T249 HydrophobicContact CG-CG2 4.06Å
220	A	97.3	Very high	98.3	Very high	8 Å²	8	6 Å²	6	7%	0.066	3%	0.031	C	C	.	.			trans	-61.1	142.9	168.9	0	0	0	0	0	110.9	T192 W194 D222 T223	T192-A220 PolarHBondContact O-N 3.09Å; W194-A220 HydrophobicContact CB-CB 3.61Å; W194-A220 HydrophobicContact CG-CB 4.42Å; A220-D222 VanDerWaalsContact C-N 3.26Å; A220-D222 PolarHBondContact O-N 3.03Å; A220-T223 CarbonylContact O-C 3.55Å; A220-T223 PolarHBondContact O-N 3.31Å
221	E	96.7	Very high	98.4	Very high	60 Å²	60	6 Å²	6	28%	0.28	3%	0.031	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.4	179.5	54	-89	-163.6	0	0	113.5	F65 K218 P224 V252	F65-E221 HydrophobicContact CE2-CB 4.15Å; F65-E221 WeakPolarHBondContact CE2-O 3.28Å; K218-E221 IonicContact NZ-OE2 2.75Å; K218-E221 PolarHBondContact NZ-OE2 3.2Å; E221-P224 VanDerWaalsContact O-CD 3.31Å; E221-P224 WeakPolarHBondContact O-CD 3.48Å; E221-V252 HydrophobicContact CB-CG2 4.07Å; E221-V252 HydrophobicContact CG-CG2 3.36Å; E221-V252 WeakPolarHBondContact OE1-CG2 3.42Å
222	D	97.3	Very high	98.4	Very high	37 Å²	37	8.1 Å²	8.1	20%	0.198	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-28	-179.5	-55.5	-86.8	0	0	0	112	W194 A220 I376 N377	W194-D222 HydrophobicContact CB-CB 4.03Å; A220-D222 VanDerWaalsContact C-N 3.26Å; A220-D222 PolarHBondContact O-N 3.03Å; D222-I376 HydrophobicContact CB-CD1 3.92Å; D222-I376 HydrophobicContact CB-CG1 3.67Å; D222-N377 PolarHBondContact OD1-ND2 3.35Å
223	T	98.5	Very high	98.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-138	53.8	-172.9	61.6	0	0	0	0	113.6	E134 N135 W194 P197 A220 I376	E134-T223 HydrophobicContact CG-CG2 4.05Å; E134-T223 WeakPolarHBondContact OE1-CB 3.41Å; E134-T223 VanDerWaalsContact OE2-C 3.31Å; E134-T223 WeakPolarHBondContact OE2-CA 3.17Å; N135-T223 HydrophobicContact CB-CG2 3.93Å; W194-T223 WeakPolarHBondContact CA-OG1 3.37Å; W194-T223 HydrophobicContact CB-CG2 3.97Å; W194-T223 WeakPolarHBondContact O-CG2 3.49Å; W194-T223 PolarHBondContact O-OG1 2.68Å; P197-T223 WeakPolarHBondContact CB-OG1 3.34Å; A220-T223 CarbonylContact O-C 3.55Å; A220-T223 PolarHBondContact O-N 3.31Å; T223-I376 HydrophobicContact CG2-CD1 4.02Å
224	P	98.3	Very high	98.4	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.006	4%	0.04	C	C	.	.	H	α-helix	trans	-81.3	-21.7	-177.1	33.3	-36	0	0	0	112.7	F65 V67 V79 P219 E221 S227 L228 T249	F65-P224 HydrophobicContact CE2-CG 4.2Å; F65-P224 HydrophobicContact CZ-CG 4.45Å; V67-P224 HydrophobicContact CG2-CG 3.51Å; V79-P224 HydrophobicContact CB-CG 4.47Å; V79-P224 HydrophobicContact CG1-CB 4.44Å; V79-P224 HydrophobicContact CG1-CG 4.03Å; V79-P224 HydrophobicContact CG2-CB 4.28Å; V79-P224 HydrophobicContact CG2-CG 3.73Å; P219-P224 HydrophobicContact CG-CB 4.18Å; E221-P224 VanDerWaalsContact O-CD 3.31Å; E221-P224 WeakPolarHBondContact O-CD 3.48Å; P224-S227 PolarHBondContact O-N 3.33Å; P224-L228 WeakPolarHBondContact O-CG 3.34Å; P224-L228 PolarHBondContact O-N 2.87Å; P224-T249 HydrophobicContact CB-CG2 3.87Å
225	L	98.7	Very high	98.4	Very high	5 Å²	5	9 Å²	9	3%	0.026	5%	0.045	C	C	.	.	H	α-helix	trans	-68.2	-40.7	-171.8	-54.2	171	0	0	0	110.7	W41 V45 V67 L76 V79 L130 E134 S227 L228 A229	W41-L225 HydrophobicContact CH2-CD1 4.46Å; V45-L225 HydrophobicContact CG1-CD2 3.98Å; V45-L225 HydrophobicContact CG2-CB 4.36Å; V67-L225 HydrophobicContact CB-CD1 3.99Å; V67-L225 HydrophobicContact CB-CG 4.26Å; V67-L225 HydrophobicContact CG1-CD1 3.85Å; V67-L225 HydrophobicContact CG1-CG 4.17Å; V67-L225 HydrophobicContact CG2-CD1 4.34Å; V67-L225 HydrophobicContact CG2-CD2 4.23Å; V67-L225 HydrophobicContact CG2-CG 4.06Å; L76-L225 HydrophobicContact CB-CD1 4.1Å; V79-L225 HydrophobicContact CG1-CD2 3.49Å; V79-L225 VanDerWaalsContact CG1-CD2 3.49Å; L130-L225 HydrophobicContact CD1-CB 3.89Å; L130-L225 HydrophobicContact CD1-CD1 4.28Å; E134-L225 WeakPolarHBondContact OE2-CA 3.31Å; E134-L225 WeakPolarHBondContact OE2-CB 3.31Å; E134-L225 PolarHBondContact OE2-N 3.24Å; L225-S227 VanDerWaalsContact C-N 3.31Å; L225-S227 PolarHBondContact O-N 3.41Å; L225-L228 PolarHBondContact O-N 2.64Å; L225-A229 WeakPolarHBondContact O-CB 3.44Å; L225-A229 PolarHBondContact O-N 3.18Å
226	T	98.8	Very high	98.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.8	-40.2	175.4	-66.4	0	0	0	0	112	I131 E134 P197 L198 L228 A229 I230	I131-T226 HydrophobicContact CD1-CG2 4.21Å; I131-T226 HydrophobicContact CG1-CG2 3.87Å; I131-T226 WeakPolarHBondContact CG1-OG1 3.43Å; E134-T226 VanDerWaalsContact CD-OG1 3.23Å; E134-T226 WeakPolarHBondContact OE1-CB 3.38Å; E134-T226 PolarHBondContact OE1-N 2.94Å; E134-T226 PolarHBondContact OE1-OG1 2.86Å; E134-T226 PolarHBondContact OE2-N 2.96Å; E134-T226 VanDerWaalsContact OE2-N 3.1Å; P197-T226 HydrophobicContact CB-CG2 4.22Å; P197-T226 HydrophobicContact CG-CG2 4.15Å; L198-T226 HydrophobicContact CB-CG2 3.58Å; L198-T226 HydrophobicContact CD1-CG2 4.18Å; L198-T226 HydrophobicContact CG-CG2 4.23Å; T226-L228 VanDerWaalsContact C-N 3.33Å; T226-L228 PolarHBondContact O-N 3.39Å; T226-A229 PolarHBondContact O-N 3.17Å; T226-I230 WeakPolarHBondContact O-CG1 3.16Å; T226-I230 PolarHBondContact O-N 2.77Å
227	S	98.6	Very high	98.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.9	-38.2	176.5	-71.6	0	0	0	0	112.2	P197 V201 P219 P224 L225 I230 T231	P197-S227 PolarHBondContact O-OG 2.88Å; V201-S227 WeakPolarHBondContact CG2-OG 3.27Å; P219-S227 WeakPolarHBondContact CB-OG 3.24Å; P224-S227 PolarHBondContact O-N 3.33Å; L225-S227 VanDerWaalsContact C-N 3.31Å; L225-S227 PolarHBondContact O-N 3.41Å; S227-I230 WeakPolarHBondContact O-CG1 3.45Å; S227-T231 WeakPolarHBondContact O-CB 3.3Å; S227-T231 PolarHBondContact O-N 3.39Å; S227-T231 VanDerWaalsContact O-N 3.16Å; S227-T231 PolarHBondContact O-OG1 3.01Å
228	L	98.8	Very high	98.3	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-68.2	-42.1	173.4	-64.8	168	0	0	0	111.3	A50 W56 V79 P224 L225 T226 T231 Y232 V247 T249	A50-L228 HydrophobicContact CB-CD2 4.34Å; W56-L228 HydrophobicContact CH2-CB 4.49Å; W56-L228 HydrophobicContact CH2-CD2 4.46Å; W56-L228 WeakPolarHBondContact CH2-O 3.47Å; W56-L228 HydrophobicContact CZ3-CB 4.4Å; W56-L228 HydrophobicContact CZ3-CD2 3.9Å; V79-L228 HydrophobicContact CB-CD1 4.36Å; V79-L228 HydrophobicContact CG1-CD1 3.59Å; P224-L228 WeakPolarHBondContact O-CG 3.34Å; P224-L228 PolarHBondContact O-N 2.87Å; L225-L228 PolarHBondContact O-N 2.64Å; T226-L228 VanDerWaalsContact C-N 3.33Å; T226-L228 PolarHBondContact O-N 3.39Å; L228-T231 WeakPolarHBondContact O-CB 3.35Å; L228-T231 PolarHBondContact O-N 2.81Å; L228-Y232 PolarHBondContact O-N 2.87Å; L228-V247 HydrophobicContact CD2-CB 4.18Å; L228-V247 HydrophobicContact CD2-CG1 3.82Å; L228-T249 HydrophobicContact CD1-CG2 4.25Å; L228-T249 HydrophobicContact CD2-CG2 4.29Å; L228-T249 HydrophobicContact CG-CG2 4.42Å
229	A	98.8	Very high	98.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.2	-48.1	179.3	0	0	0	0	0	112.6	L44 V45 L127 L130 L225 T226 T231 Y232 L233	L44-A229 HydrophobicContact CB-CB 3.95Å; L44-A229 WeakPolarHBondContact O-CA 3.37Å; V45-A229 HydrophobicContact CG2-CB 4Å; L127-A229 HydrophobicContact CD2-CB 3.93Å; L130-A229 HydrophobicContact CD2-CB 3.64Å; L225-A229 WeakPolarHBondContact O-CB 3.44Å; L225-A229 PolarHBondContact O-N 3.18Å; T226-A229 PolarHBondContact O-N 3.17Å; A229-T231 VanDerWaalsContact C-N 3.28Å; A229-T231 PolarHBondContact O-N 3.45Å; A229-Y232 WeakPolarHBondContact O-CB 3.37Å; A229-Y232 PolarHBondContact O-N 3.36Å; A229-L233 WeakPolarHBondContact O-CG 3.42Å; A229-L233 PolarHBondContact O-N 3.17Å
230	I	98.8	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-70.7	-27	177.3	65.5	-177.1	0	0	0	112.4	W116 I120 L127 L198 V201 T202 T226 S227 L233 G234	W116-I230 HydrophobicContact CZ2-CB 4.46Å; W116-I230 HydrophobicContact CZ2-CG1 4.46Å; W116-I230 PolarHBondContact NE1-O 3.08Å; I120-I230 HydrophobicContact CD1-CB 4.2Å; I120-I230 HydrophobicContact CD1-CG2 4.05Å; I120-I230 HydrophobicContact CG1-CG2 4.35Å; L127-I230 HydrophobicContact CD2-CG2 4.23Å; L198-I230 HydrophobicContact CD1-CG2 3.64Å; L198-I230 HydrophobicContact CG-CD1 4.29Å; L198-I230 HydrophobicContact CG-CG2 3.78Å; V201-I230 HydrophobicContact CB-CD1 3.62Å; V201-I230 HydrophobicContact CG1-CD1 3.56Å; V201-I230 HydrophobicContact CG1-CG1 4.42Å; V201-I230 HydrophobicContact CG2-CD1 4.26Å; T202-I230 HydrophobicContact CG2-CD1 4.13Å; T226-I230 WeakPolarHBondContact O-CG1 3.16Å; T226-I230 PolarHBondContact O-N 2.77Å; S227-I230 WeakPolarHBondContact O-CG1 3.45Å; I230-L233 PolarHBondContact O-N 3.2Å; I230-G234 PolarHBondContact O-N 3.31Å
231	T	98.7	Very high	98.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-68.3	-43.6	172.2	-62.9	0	0	0	0	110.8	F51 W56 S227 L228 A229 L233 G234 V235 L245 V247	F51-T231 HydrophobicContact CB-CG2 3.99Å; F51-T231 HydrophobicContact CD1-CG2 4.21Å; F51-T231 HydrophobicContact CG-CG2 4.21Å; W56-T231 HydrophobicContact CH2-CG2 4.21Å; W56-T231 HydrophobicContact CZ2-CG2 4.3Å; S227-T231 WeakPolarHBondContact O-CB 3.3Å; S227-T231 PolarHBondContact O-N 3.39Å; S227-T231 VanDerWaalsContact O-N 3.16Å; S227-T231 PolarHBondContact O-OG1 3.01Å; L228-T231 WeakPolarHBondContact O-CB 3.35Å; L228-T231 PolarHBondContact O-N 2.81Å; A229-T231 VanDerWaalsContact C-N 3.28Å; A229-T231 PolarHBondContact O-N 3.45Å; T231-L233 VanDerWaalsContact C-N 3.35Å; T231-L233 PolarHBondContact O-N 2.82Å; T231-G234 WeakPolarHBondContact O-CA 3.02Å; T231-G234 PolarHBondContact O-N 2.95Å; T231-G234 VanDerWaalsContact O-N 3.08Å; T231-V235 HydrophobicContact CG2-CG1 4.37Å; T231-V235 HydrophobicContact CG2-CG2 4.48Å; T231-V235 WeakPolarHBondContact O-CG2 3.38Å; T231-V235 PolarHBondContact O-N 3.46Å; T231-L245 HydrophobicContact CG2-CD2 3.96Å; T231-L245 HydrophobicContact CG2-CG 4.17Å; T231-V247 HydrophobicContact CG2-CG2 3.88Å; T231-V247 WeakPolarHBondContact OG1-CG2 3.22Å
232	Y	98.7	Very high	98.4	Very high	46 Å²	46	23 Å²	23	18%	0.18	13%	0.129	C	C	.	.	H	α-helix	trans	-55	-48.6	171.3	172.5	-90.6	0	0	0	111.9	L44 P46 W56 L228 A229 G234 V235 E236 K237	L44-Y232 HydrophobicContact CD2-CD1 4.42Å; L44-Y232 HydrophobicContact CD2-CE1 4.47Å; L44-Y232 VanDerWaalsContact O-CB 3.3Å; L44-Y232 WeakPolarHBondContact O-CB 3.49Å; P46-Y232 HydrophobicContact CG-CD2 3.8Å; P46-Y232 HydrophobicContact CG-CG 4.48Å; W56-Y232 HydrophobicContact CZ2-CD2 4.36Å; L228-Y232 PolarHBondContact O-N 2.87Å; A229-Y232 WeakPolarHBondContact O-CB 3.37Å; A229-Y232 PolarHBondContact O-N 3.36Å; Y232-G234 VanDerWaalsContact C-N 3.28Å; Y232-G234 PolarHBondContact O-N 3.21Å; Y232-V235 PolarHBondContact O-N 3.29Å; Y232-E236 HydrophobicContact CD2-CB 4.18Å; Y232-E236 HydrophobicContact CD2-CG 3.54Å; Y232-E236 HydrophobicContact CE2-CB 3.99Å; Y232-E236 HydrophobicContact CE2-CG 3.58Å; Y232-E236 HydrophobicContact CG-CG 4.27Å; Y232-E236 VanDerWaalsContact O-CB 3.28Å; Y232-E236 WeakPolarHBondContact O-CB 3.39Å; Y232-E236 PolarHBondContact O-N 3.37Å; Y232-K237 HydrophobicContact CE1-CG 4.35Å; Y232-K237 VanDerWaalsContact OH-CE 3.25Å; Y232-K237 WeakPolarHBondContact OH-CE 3.32Å; Y232-K237 PolarHBondContact OH-NZ 3.04Å
233	L	98.8	Very high	98.4	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.01	12%	0.12	C	C	.	.	I	π-helix	trans	-60.3	-39.6	175.3	-68	174.3	0	0	0	111.9	L44 I120 N123 L127 A229 I230 T231 K237 A238	L44-L233 HydrophobicContact CD2-CD2 3.81Å; L44-L233 HydrophobicContact CD2-CG 4.27Å; I120-L233 HydrophobicContact CG1-CD1 4.01Å; N123-L233 HydrophobicContact CB-CD1 4.34Å; L127-L233 HydrophobicContact CD1-CD1 3.95Å; A229-L233 WeakPolarHBondContact O-CG 3.42Å; A229-L233 PolarHBondContact O-N 3.17Å; I230-L233 PolarHBondContact O-N 3.2Å; T231-L233 VanDerWaalsContact C-N 3.35Å; T231-L233 PolarHBondContact O-N 2.82Å; L233-K237 HydrophobicContact CD2-CG 4.02Å; L233-K237 CarbonylContact O-C 3.6Å; L233-K237 WeakPolarHBondContact O-CA 3.07Å; L233-K237 VanDerWaalsContact O-CB 3.3Å; L233-K237 WeakPolarHBondContact O-CB 3.12Å; L233-K237 PolarHBondContact O-N 2.95Å; L233-A238 PolarHBondContact O-N 3.18Å
234	G	98.7	Very high	98.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	I	π-helix	trans	-65.7	-51	177.4	0	0	0	0	0	113.6	I230 T231 Y232 A238 G239 I240	I230-G234 PolarHBondContact O-N 3.31Å; T231-G234 WeakPolarHBondContact O-CA 3.02Å; T231-G234 PolarHBondContact O-N 2.95Å; T231-G234 VanDerWaalsContact O-N 3.08Å; Y232-G234 VanDerWaalsContact C-N 3.28Å; Y232-G234 PolarHBondContact O-N 3.21Å; G234-A238 WeakPolarHBondContact O-CB 3.42Å; G234-G239 PolarHBondContact O-N 3.01Å; G234-I240 WeakPolarHBondContact O-CB 3.48Å; G234-I240 WeakPolarHBondContact O-CG1 3.35Å; G234-I240 PolarHBondContact O-N 3.5Å
235	V	98.4	Very high	98.4	Very high	17 Å²	17	21.3 Å²	21.3	10%	0.103	12%	0.12	C	C	.	.	I	π-helix	trans	-82.6	-45	-173	-62.8	0	0	0	0	112.5	F51 W56 T231 Y232 I240 L245	F51-V235 HydrophobicContact CD1-CG1 4.2Å; F51-V235 HydrophobicContact CD2-CG2 4.2Å; F51-V235 HydrophobicContact CE1-CB 4.32Å; F51-V235 HydrophobicContact CE1-CG1 3.64Å; F51-V235 HydrophobicContact CE1-CG2 4.43Å; F51-V235 HydrophobicContact CE2-CB 4.32Å; F51-V235 HydrophobicContact CE2-CG1 4.48Å; F51-V235 HydrophobicContact CE2-CG2 3.86Å; F51-V235 HydrophobicContact CZ-CB 3.95Å; F51-V235 HydrophobicContact CZ-CG1 3.78Å; F51-V235 HydrophobicContact CZ-CG2 3.99Å; W56-V235 HydrophobicContact CZ2-CG2 4.04Å; T231-V235 HydrophobicContact CG2-CG1 4.37Å; T231-V235 HydrophobicContact CG2-CG2 4.48Å; T231-V235 WeakPolarHBondContact O-CG2 3.38Å; T231-V235 PolarHBondContact O-N 3.46Å; Y232-V235 PolarHBondContact O-N 3.29Å; V235-I240 HydrophobicContact CG1-CB 4.31Å; V235-L245 HydrophobicContact CG1-CB 4.48Å
236	E	98	Very high	98.4	Very high	101 Å²	101	21 Å²	21	47%	0.472	12%	0.119	S	C	.	.	I	π-helix	trans	-87	-31.9	-173.9	-57.8	-59.5	156.6	0	0	112.9	W56 Y232	W56-E236 PolarHBondContact NE1-OE1 3.18Å; Y232-E236 HydrophobicContact CD2-CB 4.18Å; Y232-E236 HydrophobicContact CD2-CG 3.54Å; Y232-E236 HydrophobicContact CE2-CB 3.99Å; Y232-E236 HydrophobicContact CE2-CG 3.58Å; Y232-E236 HydrophobicContact CG-CG 4.27Å; Y232-E236 VanDerWaalsContact O-CB 3.28Å; Y232-E236 WeakPolarHBondContact O-CB 3.39Å; Y232-E236 PolarHBondContact O-N 3.37Å
237	K	98.2	Very high	98.4	Very high	101 Å²	101	21 Å²	21	44%	0.439	12%	0.119	S	C	.	.	I	π-helix	trans	-104.4	-47.3	-174.7	-51.4	-58.7	-178.2	-173.5	0	112.3	K115 T119 Y232 L233	K115-K237 WeakPolarHBondContact CE-O 3.47Å; K115-K237 PolarHBondContact NZ-O 3.4Å; T119-K237 HydrophobicContact CG2-CB 3.54Å; Y232-K237 HydrophobicContact CE1-CG 4.35Å; Y232-K237 VanDerWaalsContact OH-CE 3.25Å; Y232-K237 WeakPolarHBondContact OH-CE 3.32Å; Y232-K237 PolarHBondContact OH-NZ 3.04Å; L233-K237 HydrophobicContact CD2-CG 4.02Å; L233-K237 CarbonylContact O-C 3.6Å; L233-K237 WeakPolarHBondContact O-CA 3.07Å; L233-K237 VanDerWaalsContact O-CB 3.3Å; L233-K237 WeakPolarHBondContact O-CB 3.12Å; L233-K237 PolarHBondContact O-N 2.95Å
238	A	98.4	Very high	98.4	Very high	5 Å²	5	21 Å²	21	4%	0.041	12%	0.119	C	C	.	.	I	π-helix	trans	-79.8	-31.9	-179.3	0	0	0	0	0	112.9	K115 W116 T119 L233 G234	K115-A238 HydrophobicContact CB-CB 4.2Å; K115-A238 WeakPolarHBondContact CD-O 3.41Å; K115-A238 HydrophobicContact CG-CB 4.19Å; K115-A238 PolarHBondContact NZ-O 3.26Å; W116-A238 VanDerWaalsContact CA-CB 3.45Å; W116-A238 HydrophobicContact CB-CB 3.73Å; W116-A238 HydrophobicContact CG-CB 4.42Å; T119-A238 HydrophobicContact CG2-CB 4.45Å; L233-A238 PolarHBondContact O-N 3.18Å; G234-A238 WeakPolarHBondContact O-CB 3.42Å
239	G	98.1	Very high	98.4	Very high	39 Å²	39	21 Å²	21	40%	0.402	12%	0.118	S	C	.	.			trans	88.3	35.1	179.5	0	0	0	0	0	112.9	G234 P241	G234-G239 PolarHBondContact O-N 3.01Å; G239-P241 WeakPolarHBondContact O-CD 3.42Å
240	I	98.7	Very high	98.3	Very high	3 Å²	3	21 Å²	21	2%	0.015	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-59.3	123.9	163.5	-64.6	173.9	0	0	0	107.5	V112 W116 L209 G234 V235 V244 L245	V112-I240 HydrophobicContact CG1-CB 4.43Å; V112-I240 HydrophobicContact CG1-CG1 3.71Å; W116-I240 HydrophobicContact CD2-CD1 3.83Å; W116-I240 HydrophobicContact CE3-CD1 3.74Å; W116-I240 HydrophobicContact CG-CD1 4.25Å; W116-I240 HydrophobicContact CZ3-CD1 4.16Å; L209-I240 HydrophobicContact CD1-CD1 3.9Å; L209-I240 HydrophobicContact CD1-CG1 4.46Å; L209-I240 HydrophobicContact CD1-CG2 4.26Å; G234-I240 WeakPolarHBondContact O-CB 3.48Å; G234-I240 WeakPolarHBondContact O-CG1 3.35Å; G234-I240 PolarHBondContact O-N 3.5Å; V235-I240 HydrophobicContact CG1-CB 4.31Å; I240-V244 HydrophobicContact CG2-CB 3.88Å; I240-V244 HydrophobicContact CG2-CG1 3.96Å; I240-L245 HydrophobicContact CD1-CD2 3.93Å; I240-L245 HydrophobicContact CG2-CB 3.84Å
241	P	98.3	Very high	97.9	Very high	41 Å²	41	21.2 Å²	21.2	27%	0.266	12%	0.12	S	C	.	.	P	Polyproline II helix	trans	-58.6	143.3	-176.5	-24.8	33.5	0	0	0	112.3	W101 G239 G243 V244	W101-P241 HydrophobicContact CE3-CG 4.03Å; W101-P241 HydrophobicContact CZ3-CG 4.14Å; G239-P241 WeakPolarHBondContact O-CD 3.42Å; P241-G243 PolarHBondContact O-N 3.11Å; P241-V244 HydrophobicContact CB-CG2 3.89Å; P241-V244 HydrophobicContact CG-CG2 4.22Å; P241-V244 WeakPolarHBondContact O-CB 3.37Å; P241-V244 PolarHBondContact O-N 3.26Å
242	P	96.5	Very high	97.2	Very high	85 Å²	85	25 Å²	25	55%	0.552	14%	0.143	S	C	*	.	B	Isolated β-bridge	trans	-47.7	129.2	175.1	-31.5	37.7	0	0	0	112.4	S97 V244	S97-P242 VanDerWaalsContact CB-O 3.3Å; S97-P242 WeakPolarHBondContact CB-O 3.37Å; S97-P242 PolarHBondContact OG-O 3.26Å; P242-V244 VanDerWaalsContact C-N 3.31Å; P242-V244 PolarHBondContact O-N 3.41Å
243	G	97.9	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	-13.3	178.8	0	0	0	0	0	115.9	A94 P241 L245 N246	A94-G243 VanDerWaalsContact CA-O 3.3Å; A94-G243 WeakPolarHBondContact CA-O 3.26Å; P241-G243 PolarHBondContact O-N 3.11Å; G243-L245 VanDerWaalsContact C-N 3.31Å; G243-N246 PolarHBondContact O-ND2 3Å
244	V	98.8	Very high	95.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-34.9	171.8	172.6	0	0	0	0	111	W101 L209 S214 A215 I240 P241 P242	W101-V244 HydrophobicContact CB-CG2 3.74Å; W101-V244 HydrophobicContact CD2-CG1 4.05Å; W101-V244 HydrophobicContact CD2-CG2 4.25Å; W101-V244 HydrophobicContact CG-CG1 3.9Å; W101-V244 HydrophobicContact CG-CG2 3.92Å; L209-V244 HydrophobicContact CD1-CG1 4.25Å; L209-V244 HydrophobicContact CD2-CG1 3.49Å; L209-V244 VanDerWaalsContact CD2-CG1 3.49Å; L209-V244 HydrophobicContact CG-CG1 4.43Å; S214-V244 CarbonylContact C-O 3.58Å; S214-V244 VanDerWaalsContact CA-O 3.22Å; S214-V244 WeakPolarHBondContact CA-O 3.36Å; S214-V244 WeakPolarHBondContact CB-O 3.2Å; A215-V244 PolarHBondContact N-O 3.29Å; I240-V244 HydrophobicContact CG2-CB 3.88Å; I240-V244 HydrophobicContact CG2-CG1 3.96Å; P241-V244 HydrophobicContact CB-CG2 3.89Å; P241-V244 HydrophobicContact CG-CG2 4.22Å; P241-V244 WeakPolarHBondContact O-CB 3.37Å; P241-V244 PolarHBondContact O-N 3.26Å; P242-V244 VanDerWaalsContact C-N 3.31Å; P242-V244 PolarHBondContact O-N 3.41Å
245	L	98.6	Very high	94.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129	173.7	-179.9	61.3	0	0	0	108.5	F51 W116 V205 I217 T231 V235 I240 G243	F51-L245 WeakPolarHBondContact CD1-O 3.19Å; F51-L245 VanDerWaalsContact CE1-O 3.24Å; F51-L245 WeakPolarHBondContact CE1-O 3.31Å; W116-L245 HydrophobicContact CH2-CD2 4.16Å; W116-L245 HydrophobicContact CZ2-CD2 4.15Å; V205-L245 HydrophobicContact CG1-CD1 3.59Å; I217-L245 HydrophobicContact CD1-CD1 3.43Å; I217-L245 VanDerWaalsContact CD1-CD1 3.43Å; I217-L245 HydrophobicContact CD1-CG 4.48Å; I217-L245 HydrophobicContact CG1-CD1 4.29Å; T231-L245 HydrophobicContact CG2-CD2 3.96Å; T231-L245 HydrophobicContact CG2-CG 4.17Å; V235-L245 HydrophobicContact CG1-CB 4.48Å; I240-L245 HydrophobicContact CD1-CD2 3.93Å; I240-L245 HydrophobicContact CG2-CB 3.84Å; G243-L245 VanDerWaalsContact C-N 3.31Å
246	N	98.7	Very high	94.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.4	175.9	-54.2	-91.1	0	0	0	110.8	F51 Y52 S90 A215 I217 G243	F51-N246 CarbonylContact O-C 3.54Å; F51-N246 WeakPolarHBondContact O-CA 3.38Å; F51-N246 WeakPolarHBondContact O-CB 3.36Å; Y52-N246 PolarHBondContact O-OD1 2.8Å; S90-N246 WeakPolarHBondContact OG-CB 3.21Å; S90-N246 VanDerWaalsContact OG-CG 3.25Å; A215-N246 PolarHBondContact O-N 2.69Å; A215-N246 PolarHBondContact O-ND2 2.94Å; I217-N246 WeakPolarHBondContact CB-O 3.42Å; I217-N246 PolarHBondContact N-O 3.4Å; G243-N246 PolarHBondContact O-ND2 3Å
247	V	98.7	Very high	94	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.7	176	-177.1	0	0	0	0	109.4	F51 I217 P219 L228 T231 T249	F51-V247 CarbonylContact C-O 3.54Å; F51-V247 PolarHBondContact N-O 3.48Å; F51-V247 PolarHBondContact O-N 3.35Å; I217-V247 HydrophobicContact CB-CG2 4.24Å; I217-V247 HydrophobicContact CD1-CG2 3.94Å; I217-V247 CarbonylContact O-C 3.55Å; I217-V247 WeakPolarHBondContact O-CA 3.13Å; P219-V247 HydrophobicContact CG-CG1 3.95Å; L228-V247 HydrophobicContact CD2-CB 4.18Å; L228-V247 HydrophobicContact CD2-CG1 3.82Å; T231-V247 HydrophobicContact CG2-CG2 3.88Å; T231-V247 WeakPolarHBondContact OG1-CG2 3.22Å; V247-T249 HydrophobicContact CG1-CG2 4.26Å
248	V	98.3	Very high	93.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.204	C	C	.	.			trans	-115.6	104.4	177.1	-169.6	0	0	0	0	108.1	C82 E86 I216 I217 I260	C82-V248 HydrophobicContact CB-CG1 3.49Å; C82-V248 VanDerWaalsContact CB-CG1 3.49Å; E86-V248 HydrophobicContact CB-CG1 4.46Å; I216-V248 HydrophobicContact CG2-CG2 3.9Å; I217-V248 PolarHBondContact O-N 3.01Å; V248-I260 HydrophobicContact CB-CD1 4.36Å; V248-I260 HydrophobicContact CG1-CD1 3.53Å; V248-I260 HydrophobicContact CG1-CG1 4.08Å
249	T	98.3	Very high	93.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.217	C	C	.	.			trans	-84	140.3	178.6	47.9	0	0	0	0	110.7	V79 P80 C82 P219 P224 L228 V247	V79-T249 HydrophobicContact CB-CG2 4.42Å; P80-T249 CarbonylContact O-C 3.57Å; P80-T249 WeakPolarHBondContact O-CB 3.31Å; P80-T249 VanDerWaalsContact O-O 3.12Å; P80-T249 PolarHBondContact O-OG1 2.99Å; C82-T249 WeakPolarHBondContact CA-O 3.43Å; C82-T249 WeakPolarHBondContact CB-O 3.49Å; C82-T249 PolarHBondContact N-O 3.45Å; P219-T249 HydrophobicContact CG-CG2 4.06Å; P224-T249 HydrophobicContact CB-CG2 3.87Å; L228-T249 HydrophobicContact CD1-CG2 4.25Å; L228-T249 HydrophobicContact CD2-CG2 4.29Å; L228-T249 HydrophobicContact CG-CG2 4.42Å; V247-T249 HydrophobicContact CG1-CG2 4.26Å
250	A	96.6	Very high	93.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	20%	0.198	C	C	.	.			trans	-140.4	135.8	-173.5	0	0	0	0	0	111.4	F65 A257 I260	F65-A250 WeakPolarHBondContact CZ-O 3.2Å; A250-A257 HydrophobicContact CB-CB 4.35Å; A250-I260 HydrophobicContact CB-CD1 3.32Å
251	A	91.5	Very high	93.5	Very high	3 Å²	3	35.4 Å²	35.4	3%	0.025	20%	0.2	C	C	.	.			trans	-78.1	156.7	171.1	0	0	0	0	0	110.8	F65 A81 D253 G256 A257	F65-A251 HydrophobicContact CB-CB 4.04Å; F65-A251 HydrophobicContact CD1-CB 3.66Å; F65-A251 HydrophobicContact CE1-CB 4.27Å; F65-A251 HydrophobicContact CG-CB 3.96Å; A81-A251 HydrophobicContact CB-CB 4.09Å; A251-D253 WeakPolarHBondContact CB-OD1 3.32Å; A251-G256 PolarHBondContact O-N 2.94Å; A251-A257 PolarHBondContact O-N 3.41Å
252	V	83	Confident	93.4	Very high	81 Å²	81	36.2 Å²	36.2	49%	0.491	20%	0.202	S	C	.	.	S	Bend	trans	-85.9	-41.7	179.8	175.3	0	0	0	0	111.8	E221 D254 N255	E221-V252 HydrophobicContact CB-CG2 4.07Å; E221-V252 HydrophobicContact CG-CG2 3.36Å; E221-V252 WeakPolarHBondContact OE1-CG2 3.42Å; V252-D254 VanDerWaalsContact C-N 3.26Å; V252-D254 PolarHBondContact O-N 2.84Å; V252-N255 PolarHBondContact O-N 3.44Å
253	D	81	Confident	93.5	Very high	131 Å²	131	33 Å²	33	70%	0.701	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.7	-175.1	54.9	-15.5	0	0	0	113.6	A251	A251-D253 WeakPolarHBondContact CB-OD1 3.32Å
254	D	77.2	Confident	93.5	Very high	74 Å²	74	33 Å²	33	40%	0.396	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	14.8	178.6	-83.8	-24.1	0	0	0	114	K63 V252 G256	K63-D254 WeakPolarHBondContact CD-OD2 3.05Å; K63-D254 VanDerWaalsContact NZ-CG 3.34Å; K63-D254 IonicContact NZ-OD1 2.78Å; K63-D254 PolarHBondContact NZ-OD1 2.86Å; K63-D254 IonicContact NZ-OD2 3.15Å; K63-D254 PolarHBondContact NZ-OD2 3.17Å; V252-D254 VanDerWaalsContact C-N 3.26Å; V252-D254 PolarHBondContact O-N 2.84Å; D254-G256 PolarHBondContact O-N 3.01Å
255	N	85.4	Confident	93.5	Very high	102 Å²	102	33 Å²	33	55%	0.545	18%	0.18	S	C	.	.	S	Bend	trans	57.6	7.2	-170.1	-63.2	-35	0	0	0	114.9	V252 A257 E258 E259	V252-N255 PolarHBondContact O-N 3.44Å; N255-A257 VanDerWaalsContact C-N 3.28Å; N255-A257 PolarHBondContact O-N 2.95Å; N255-E258 WeakPolarHBondContact O-CA 3.48Å; N255-E258 WeakPolarHBondContact O-CB 3.37Å; N255-E258 PolarHBondContact O-N 2.88Å; N255-E259 PolarHBondContact O-N 3.36Å
256	G	89.4	Confident	93.5	Very high	4 Å²	4	34.2 Å²	34.2	4%	0.041	19%	0.187	C	C	.	.	H	α-helix	trans	-58	-38.3	-172.3	0	0	0	0	0	113.3	A251 D254 E258 E259 I260	A251-G256 PolarHBondContact O-N 2.94Å; D254-G256 PolarHBondContact O-N 3.01Å; G256-E258 PolarHBondContact O-N 3.08Å; G256-E259 PolarHBondContact O-N 3.44Å; G256-I260 WeakPolarHBondContact O-CD1 3.38Å; G256-I260 WeakPolarHBondContact O-CG1 3.43Å; G256-I260 PolarHBondContact O-N 2.79Å
257	A	92.4	Very high	93.4	Very high	29 Å²	29	35.8 Å²	35.8	24%	0.24	19%	0.194	C	C	.	.	H	α-helix	trans	-61.7	-40.5	174.9	0	0	0	0	0	112.9	A250 A251 N255 G261	A250-A257 HydrophobicContact CB-CB 4.35Å; A251-A257 PolarHBondContact O-N 3.41Å; N255-A257 VanDerWaalsContact C-N 3.28Å; N255-A257 PolarHBondContact O-N 2.95Å; A257-G261 PolarHBondContact O-N 2.85Å
258	E	93.8	Very high	93.4	Very high	119 Å²	119	40.7 Å²	40.7	56%	0.556	23%	0.226	S	C	*	.	H	α-helix	trans	-70	-43.3	176.2	-178.1	174.4	170.2	0	0	111.1	N255 G256 I260 G261 N262	N255-E258 WeakPolarHBondContact O-CA 3.48Å; N255-E258 WeakPolarHBondContact O-CB 3.37Å; N255-E258 PolarHBondContact O-N 2.88Å; G256-E258 PolarHBondContact O-N 3.08Å; E258-I260 PolarHBondContact O-N 2.79Å; E258-G261 PolarHBondContact O-N 2.9Å; E258-N262 WeakPolarHBondContact O-CB 3.45Å; E258-N262 PolarHBondContact O-N 2.8Å
259	E	95	Very high	93.4	Very high	67 Å²	67	43 Å²	43	31%	0.313	24%	0.238	S	C	.	.	H	α-helix	trans	-57	-49	177.5	-71.1	-165.6	157.9	0	0	111.8	K84 N255 G256 N262 I263	K84-E259 HydrophobicContact CB-CB 4.31Å; K84-E259 PolarHBondContact N-OE2 3Å; N255-E259 PolarHBondContact O-N 3.36Å; G256-E259 PolarHBondContact O-N 3.44Å; E259-N262 WeakPolarHBondContact O-CB 3.22Å; E259-N262 PolarHBondContact O-N 2.93Å; E259-I263 WeakPolarHBondContact O-CG1 3.46Å; E259-I263 PolarHBondContact O-N 3.43Å
260	I	97	Very high	93.4	Very high	1 Å²	1	43 Å²	43	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-45.4	177.8	-69.4	160.3	0	0	0	110.7	C87 K218 V248 A250 G256 E258 N262 I263 L264	C87-I260 HydrophobicContact CB-CG1 4.11Å; K218-I260 HydrophobicContact CB-CG2 3.9Å; K218-I260 HydrophobicContact CG-CB 4.43Å; K218-I260 HydrophobicContact CG-CD1 4.39Å; K218-I260 HydrophobicContact CG-CG2 3.84Å; V248-I260 HydrophobicContact CB-CD1 4.36Å; V248-I260 HydrophobicContact CG1-CD1 3.53Å; V248-I260 HydrophobicContact CG1-CG1 4.08Å; A250-I260 HydrophobicContact CB-CD1 3.32Å; G256-I260 WeakPolarHBondContact O-CD1 3.38Å; G256-I260 WeakPolarHBondContact O-CG1 3.43Å; G256-I260 PolarHBondContact O-N 2.79Å; E258-I260 PolarHBondContact O-N 2.79Å; I260-N262 PolarHBondContact O-N 3.49Å; I260-I263 PolarHBondContact O-N 3.14Å; I260-L264 HydrophobicContact CG2-CD1 4.07Å; I260-L264 HydrophobicContact CG2-CG 4.31Å; I260-L264 WeakPolarHBondContact O-CG 3.24Å; I260-L264 PolarHBondContact O-N 2.64Å
261	G	96.9	Very high	93.5	Very high	5 Å²	5	49.9 Å²	49.9	5%	0.052	26%	0.264	C	S	.	.	H	α-helix	trans	-56.4	-39.6	175.6	0	0	0	0	0	112.2	A257 E258 C265	A257-G261 PolarHBondContact O-N 2.85Å; E258-G261 PolarHBondContact O-N 2.9Å; G261-C265 WeakPolarHBondContact O-CB 3.37Å; G261-C265 PolarHBondContact O-N 3.1Å; G261-C265 PolarHBondContact O-SG 3.2Å
262	N	97	Very high	93.8	Very high	58 Å²	58	49.8 Å²	49.8	31%	0.31	26%	0.263	S	S	.	.	H	α-helix	trans	-67.4	-44.7	177	-166.2	63.7	0	0	0	112.1	E258 E259 I260 C265 T266 K288	E258-N262 WeakPolarHBondContact O-CB 3.45Å; E258-N262 PolarHBondContact O-N 2.8Å; E259-N262 WeakPolarHBondContact O-CB 3.22Å; E259-N262 PolarHBondContact O-N 2.93Å; I260-N262 PolarHBondContact O-N 3.49Å; N262-C265 PolarHBondContact O-N 3.11Å; N262-T266 WeakPolarHBondContact O-CB 3.49Å; N262-T266 VanDerWaalsContact O-CG2 3.3Å; N262-T266 WeakPolarHBondContact O-CG2 3.03Å; N262-T266 PolarHBondContact O-N 2.98Å; N262-T266 PolarHBondContact O-OG1 3.4Å; N262-K288 PolarHBondContact OD1-NZ 3.09Å; N262-K288 VanDerWaalsContact OD1-NZ 3.1Å
263	I	98.1	Very high	94.6	Very high	17 Å²	17	45.9 Å²	45.9	9%	0.087	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-49.7	175	-67.5	-62.9	0	0	0	110.5	K84 C87 E88 V91 E259 I260 C265 T266 H267	K84-I263 HydrophobicContact CB-CD1 4.15Å; K84-I263 HydrophobicContact CB-CG1 3.77Å; C87-I263 HydrophobicContact CB-CB 4.37Å; C87-I263 HydrophobicContact CB-CG2 4.11Å; C87-I263 VanDerWaalsContact SG-CG2 3.55Å; E88-I263 HydrophobicContact CG-CD1 4.13Å; E88-I263 HydrophobicContact CG-CG2 4.29Å; V91-I263 HydrophobicContact CG2-CG2 4.41Å; E259-I263 WeakPolarHBondContact O-CG1 3.46Å; E259-I263 PolarHBondContact O-N 3.43Å; I260-I263 PolarHBondContact O-N 3.14Å; I263-C265 VanDerWaalsContact C-N 3.29Å; I263-C265 PolarHBondContact O-N 2.87Å; I263-T266 PolarHBondContact O-N 3.04Å; I263-H267 HydrophobicContact CG2-CB 4.25Å; I263-H267 WeakPolarHBondContact O-CB 3.37Å; I263-H267 PolarHBondContact O-N 3.14Å
264	L	98.4	Very high	95.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.6	-43.8	179	-64.4	178.9	0	0	0	111.1	I191 I216 I260 T266 V270 I273	I191-L264 HydrophobicContact CD1-CD1 4.36Å; I191-L264 HydrophobicContact CG1-CD1 4.07Å; I216-L264 HydrophobicContact CB-CD2 4.17Å; I216-L264 HydrophobicContact CD1-CD2 4.31Å; I216-L264 HydrophobicContact CG2-CD2 4.06Å; I260-L264 HydrophobicContact CG2-CD1 4.07Å; I260-L264 HydrophobicContact CG2-CG 4.31Å; I260-L264 WeakPolarHBondContact O-CG 3.24Å; I260-L264 PolarHBondContact O-N 2.64Å; L264-T266 PolarHBondContact O-N 3.05Å; L264-V270 HydrophobicContact CD2-CG2 4.46Å; L264-V270 WeakPolarHBondContact O-CG1 3.19Å; L264-I273 HydrophobicContact CB-CD1 3.62Å; L264-I273 WeakPolarHBondContact O-CD1 3.35Å
265	C	98.3	Very high	96.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-72.8	-22.4	-178.4	-68.4	0	0	0	0	115	G261 N262 I263 L285 K288 K294	G261-C265 WeakPolarHBondContact O-CB 3.37Å; G261-C265 PolarHBondContact O-N 3.1Å; G261-C265 PolarHBondContact O-SG 3.2Å; N262-C265 PolarHBondContact O-N 3.11Å; I263-C265 VanDerWaalsContact C-N 3.29Å; I263-C265 PolarHBondContact O-N 2.87Å; C265-L285 VanDerWaalsContact SG-CD2 3.52Å; C265-K288 HydrophobicContact CB-CB 3.79Å; C265-K294 WeakPolarHBondContact O-CD 3.34Å; C265-K294 WeakPolarHBondContact O-CE 3.28Å
266	T	97.7	Very high	97	Very high	26 Å²	26	32.4 Å²	32.4	16%	0.16	17%	0.168	C	C	.	.	H	α-helix	trans	-116.3	-25.7	-169.9	62.7	0	0	0	0	113.8	N262 I263 L264 Y292	N262-T266 WeakPolarHBondContact O-CB 3.49Å; N262-T266 VanDerWaalsContact O-CG2 3.3Å; N262-T266 WeakPolarHBondContact O-CG2 3.03Å; N262-T266 PolarHBondContact O-N 2.98Å; N262-T266 PolarHBondContact O-OG1 3.4Å; I263-T266 PolarHBondContact O-N 3.04Å; L264-T266 PolarHBondContact O-N 3.05Å; T266-Y292 HydrophobicContact CG2-CD2 4.07Å; T266-Y292 HydrophobicContact CG2-CE2 3.42Å; T266-Y292 VanDerWaalsContact CG2-CE2 3.42Å; T266-Y292 WeakPolarHBondContact O-CD1 3.46Å
267	H	98.3	Very high	97.4	Very high	33 Å²	33	33.3 Å²	33.3	15%	0.153	18%	0.177	C	C	.	.			trans	-64.8	130.8	-174.4	-166.9	-74.7	0	0	0	111.8	V91 I263 I269 V270 K294	V91-H267 WeakPolarHBondContact CG1-ND1 3.31Å; I263-H267 HydrophobicContact CG2-CB 4.25Å; I263-H267 WeakPolarHBondContact O-CB 3.37Å; I263-H267 PolarHBondContact O-N 3.14Å; H267-I269 VanDerWaalsContact C-N 3.29Å; H267-I269 PolarHBondContact ND1-N 3.03Å; H267-I269 PolarHBondContact O-N 3.11Å; H267-V270 HydrophobicContact CB-CG2 4.31Å; H267-V270 PolarHBondContact O-N 2.9Å; H267-K294 WeakPolarHBondContact O-CE 3.32Å; H267-K294 PolarHBondContact O-NZ 3.35Å
268	P	97.5	Very high	97.6	Very high	103 Å²	103	34.7 Å²	34.7	67%	0.669	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-28	-170.8	22.7	-34.5	0	0	0	114.7
269	I	98.4	Very high	97.7	Very high	50 Å²	50	30 Å²	30	26%	0.256	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-34.9	177.8	-66.8	-178.3	0	0	0	112.6	V91 V187 H267 R271	V91-I269 HydrophobicContact CG1-CB 3.69Å; V91-I269 HydrophobicContact CG1-CD1 4.34Å; V91-I269 HydrophobicContact CG1-CG2 3.68Å; V187-I269 HydrophobicContact CB-CG2 4.08Å; V187-I269 HydrophobicContact CG2-CG2 3.7Å; H267-I269 VanDerWaalsContact C-N 3.29Å; H267-I269 PolarHBondContact ND1-N 3.03Å; H267-I269 PolarHBondContact O-N 3.11Å; I269-R271 PolarHBondContact O-N 2.99Å
270	V	98.6	Very high	97.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	125.8	-178.5	-178.6	0	0	0	0	108.6	V91 V187 L264 H267 I273 K294	V91-V270 HydrophobicContact CG1-CG2 4.02Å; V91-V270 HydrophobicContact CG2-CG2 3.79Å; V187-V270 HydrophobicContact CG1-CG2 4.39Å; L264-V270 HydrophobicContact CD2-CG2 4.46Å; L264-V270 WeakPolarHBondContact O-CG1 3.19Å; H267-V270 HydrophobicContact CB-CG2 4.31Å; H267-V270 PolarHBondContact O-N 2.9Å; V270-I273 HydrophobicContact CG1-CD1 4.04Å; V270-K294 WeakPolarHBondContact O-CD 3.11Å; V270-K294 WeakPolarHBondContact O-CE 3.3Å; V270-K294 PolarHBondContact O-NZ 2.86Å
271	R	98.3	Very high	97.8	Very high	145 Å²	145	38 Å²	38	55%	0.547	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-22.6	-173.5	-65	-58.1	-150.2	134	4.7	114.5	I185 V187 I269 R295	I185-R271 HydrophobicContact CD1-CB 4.06Å; I185-R271 HydrophobicContact CG1-CB 3.81Å; I185-R271 HydrophobicContact CG2-CB 4.33Å; I185-R271 WeakPolarHBondContact O-CG 3.31Å; V187-R271 PolarHBondContact O-N 3.08Å; I269-R271 PolarHBondContact O-N 2.99Å; R271-R295 PolarHBondContact O-N 3.17Å
272	L	98.7	Very high	97.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	140.8	-179.3	-177.6	151.7	0	0	0	111.4	I185 V188 G189 R295 L297 E525 F526	I185-L272 HydrophobicContact CD1-CB 4.44Å; I185-L272 HydrophobicContact CG2-CB 4.22Å; V188-L272 HydrophobicContact CB-CB 4.14Å; V188-L272 HydrophobicContact CB-CD2 4.18Å; V188-L272 HydrophobicContact CG1-CB 3.73Å; V188-L272 HydrophobicContact CG1-CD2 4.36Å; G189-L272 PolarHBondContact N-O 3.46Å; L272-R295 CarbonylContact C-O 3.5Å; L272-R295 VanDerWaalsContact CA-O 3.24Å; L272-R295 WeakPolarHBondContact CA-O 3.42Å; L272-R295 HydrophobicContact CB-CB 4.28Å; L272-R295 HydrophobicContact CD1-CB 4.09Å; L272-R295 HydrophobicContact CD1-CG 4.05Å; L272-R295 HydrophobicContact CG-CB 4.19Å; L272-L297 HydrophobicContact CD2-CB 4.42Å; L272-E525 WeakPolarHBondContact CD1-O 3.26Å; L272-F526 HydrophobicContact CD1-CD1 4.19Å; L272-F526 HydrophobicContact CD1-CE1 4.46Å; L272-F526 HydrophobicContact CD2-CD1 4.34Å; L272-F526 HydrophobicContact CD2-CE1 3.94Å
273	I	98.5	Very high	97.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108.5	168.6	-56.3	-62.9	0	0	0	110	L264 V270 A289 K294 R295 V296 L297	L264-I273 HydrophobicContact CB-CD1 3.62Å; L264-I273 WeakPolarHBondContact O-CD1 3.35Å; V270-I273 HydrophobicContact CG1-CD1 4.04Å; I273-A289 HydrophobicContact CG1-CB 4.16Å; I273-K294 HydrophobicContact CG1-CD 4.47Å; I273-R295 PolarHBondContact N-O 3.09Å; I273-V296 HydrophobicContact CB-CG1 4.49Å; I273-V296 WeakPolarHBondContact O-CA 3.45Å; I273-L297 PolarHBondContact O-N 3.01Å
274	G	98.3	Very high	97.8	Very high	1 Å²	1	41 Å²	41	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.7	168.6	0	0	0	0	0	109.2	G189 V190 I191 L297	G189-G274 PolarHBondContact O-N 2.97Å; V190-G274 CarbonylContact C-O 3.54Å; V190-G274 VanDerWaalsContact CA-O 3.32Å; V190-G274 WeakPolarHBondContact CA-O 3.32Å; I191-G274 PolarHBondContact N-O 3.49Å; G274-L297 CarbonylContact C-O 3.4Å; G274-L297 VanDerWaalsContact CA-O 3.3Å; G274-L297 WeakPolarHBondContact CA-O 3.28Å
275	F	98.5	Very high	97.8	Very high	10 Å²	10	41.2 Å²	41.2	4%	0.044	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.7	178.7	171.9	-99.6	0	0	0	110.1	I191 K204 G277 S278 V281 G282 L285 L297 L298 E299	I191-F275 HydrophobicContact CB-CD2 3.85Å; I191-F275 HydrophobicContact CG2-CD2 3.72Å; I191-F275 HydrophobicContact CG2-CE2 3.99Å; I191-F275 WeakPolarHBondContact O-CA 3.33Å; K204-F275 VanDerWaalsContact NZ-C 3.32Å; K204-F275 PolarHBondContact NZ-O 3.35Å; K204-F275 VanDerWaalsContact NZ-O 3.11Å; F275-G277 VanDerWaalsContact CZ-CA 3.48Å; F275-S278 WeakPolarHBondContact CE1-O 3.34Å; F275-V281 HydrophobicContact CE1-CB 4.48Å; F275-V281 HydrophobicContact CE1-CG1 4.49Å; F275-V281 HydrophobicContact CE2-CB 4.3Å; F275-V281 HydrophobicContact CE2-CG1 3.6Å; F275-V281 HydrophobicContact CZ-CB 3.75Å; F275-V281 HydrophobicContact CZ-CG1 3.57Å; F275-G282 VanDerWaalsContact CE1-CA 3.42Å; F275-L285 HydrophobicContact CB-CD1 4.07Å; F275-L285 HydrophobicContact CD1-CD1 4.38Å; F275-L285 HydrophobicContact CD2-CD1 3.3Å; F275-L285 HydrophobicContact CE2-CD1 3.78Å; F275-L285 HydrophobicContact CG-CD1 3.66Å; F275-L285 HydrophobicContact CZ-CD1 4.48Å; F275-L297 PolarHBondContact N-O 3.47Å; F275-L298 HydrophobicContact CB-CD2 3.81Å; F275-L298 WeakPolarHBondContact O-CA 3.23Å; F275-E299 PolarHBondContact O-N 3.38Å
276	T	98.4	Very high	97.8	Very high	13 Å²	13	46 Å²	46	8%	0.08	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.5	163.4	-58.2	0	0	0	0	109.6	I191 P193 M200 K204 E299	I191-T276 PolarHBondContact O-N 2.94Å; P193-T276 WeakPolarHBondContact CD-O 3.41Å; P193-T276 HydrophobicContact CG-CG2 3.84Å; M200-T276 HydrophobicContact SD-CG2 4.03Å; K204-T276 WeakPolarHBondContact CE-OG1 3.32Å; K204-T276 PolarHBondContact NZ-OG1 3.26Å; T276-E299 WeakPolarHBondContact CA-O 3.45Å; T276-E299 HydrophobicContact CG2-CB 3.89Å; T276-E299 WeakPolarHBondContact OG1-CB 3.45Å
277	G	97.1	Very high	97.8	Very high	23 Å²	23	48.8 Å²	48.8	24%	0.237	26%	0.255	C	S	.	.	S	Bend	trans	162.8	-151.5	-178.2	0	0	0	0	0	113.5	F275 E299 M300 G301	F275-G277 VanDerWaalsContact CZ-CA 3.48Å; G277-E299 PolarHBondContact N-O 3.05Å; G277-M300 CarbonylContact O-C 3.53Å; G277-M300 VanDerWaalsContact O-CA 3.26Å; G277-M300 WeakPolarHBondContact O-CA 3.46Å; G277-G301 PolarHBondContact O-N 2.82Å
278	S	96.4	Very high	97.8	Very high	58 Å²	58	50 Å²	50	41%	0.406	26%	0.26	S	S	.	.			trans	-68.5	145.5	-175.6	74.9	0	0	0	0	113.3	F275 K280 V281 G282	F275-S278 WeakPolarHBondContact CE1-O 3.34Å; S278-K280 VanDerWaalsContact C-N 3.26Å; S278-K280 PolarHBondContact O-N 3.26Å; S278-V281 PolarHBondContact O-N 3.17Å; S278-V281 WeakPolarHBondContact OG-CB 3.5Å; S278-V281 WeakPolarHBondContact OG-CG2 3.2Å; S278-V281 PolarHBondContact OG-N 2.84Å; S278-G282 PolarHBondContact O-N 3.47Å
279	T	97	Very high	97.8	Very high	19 Å²	19	45 Å²	45	12%	0.117	23%	0.228	C	C	.	.	H	α-helix	trans	-55.2	-39.1	174.6	-60.5	0	0	0	0	112.9	G282 T283 G301 N511	T279-G282 PolarHBondContact O-N 3.3Å; T279-T283 WeakPolarHBondContact O-CB 3.43Å; T279-T283 PolarHBondContact O-N 3.45Å; T279-T283 PolarHBondContact O-OG1 2.8Å; T279-G301 PolarHBondContact OG1-N 3.38Å; T279-N511 HydrophobicContact CG2-CB 3.81Å; T279-N511 WeakPolarHBondContact CG2-O 3.49Å; T279-N511 PolarHBondContact OG1-O 2.55Å; T279-N511 VanDerWaalsContact OG1-O 3.09Å
280	K	96.4	Very high	97.8	Very high	180 Å²	180	45.1 Å²	45.1	78%	0.783	24%	0.236	S	C	*	.	H	α-helix	trans	-59.8	-49.2	178.2	-179.1	179.3	177.7	179.6	0	111.6	S278 M284	S278-K280 VanDerWaalsContact C-N 3.26Å; S278-K280 PolarHBondContact O-N 3.26Å; K280-M284 PolarHBondContact O-N 3.4Å
281	V	96.8	Very high	97.7	Very high	58 Å²	58	51.2 Å²	51.2	35%	0.352	27%	0.269	S	S	.	.	H	α-helix	trans	-70.4	-43.7	-179.8	174.8	0	0	0	0	110.6	F275 S278 T283 M284 L285	F275-V281 HydrophobicContact CE1-CB 4.48Å; F275-V281 HydrophobicContact CE1-CG1 4.49Å; F275-V281 HydrophobicContact CE2-CB 4.3Å; F275-V281 HydrophobicContact CE2-CG1 3.6Å; F275-V281 HydrophobicContact CZ-CB 3.75Å; F275-V281 HydrophobicContact CZ-CG1 3.57Å; S278-V281 PolarHBondContact O-N 3.17Å; S278-V281 WeakPolarHBondContact OG-CB 3.5Å; S278-V281 WeakPolarHBondContact OG-CG2 3.2Å; S278-V281 PolarHBondContact OG-N 2.84Å; V281-T283 VanDerWaalsContact C-N 3.34Å; V281-T283 PolarHBondContact O-N 3.2Å; V281-M284 HydrophobicContact CG1-CE 4.16Å; V281-M284 WeakPolarHBondContact O-CB 3.46Å; V281-M284 PolarHBondContact O-N 3.31Å; V281-L285 HydrophobicContact CG1-CD1 3.9Å; V281-L285 HydrophobicContact CG1-CG 4.24Å; V281-L285 WeakPolarHBondContact O-CG 3.38Å; V281-L285 PolarHBondContact O-N 2.93Å
282	G	97.8	Very high	97.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-41.4	178.5	0	0	0	0	0	113	F275 S278 T279 L285 Y286	F275-G282 VanDerWaalsContact CE1-CA 3.42Å; S278-G282 PolarHBondContact O-N 3.47Å; T279-G282 PolarHBondContact O-N 3.3Å; G282-L285 PolarHBondContact O-N 3.37Å; G282-Y286 WeakPolarHBondContact O-CB 3.42Å; G282-Y286 PolarHBondContact O-N 3.49Å
283	T	97.5	Very high	97.5	Very high	65 Å²	65	54.1 Å²	54.1	40%	0.399	30%	0.303	S	S	.	.	H	α-helix	trans	-65.5	-39.3	176.1	-54.8	0	0	0	0	112	T279 V281 Y286 T287	T279-T283 WeakPolarHBondContact O-CB 3.43Å; T279-T283 PolarHBondContact O-N 3.45Å; T279-T283 PolarHBondContact O-OG1 2.8Å; V281-T283 VanDerWaalsContact C-N 3.34Å; V281-T283 PolarHBondContact O-N 3.2Å; T283-Y286 PolarHBondContact O-N 3.02Å; T283-T287 PolarHBondContact O-N 3.43Å; T283-T287 PolarHBondContact O-OG1 3.26Å
284	M	97.4	Very high	97.5	Very high	76 Å²	76	55.1 Å²	55.1	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-63.8	-46.6	175.1	174.4	-82.2	-68.8	0	0	111.5	K280 V281 Y286 T287 K288	K280-M284 PolarHBondContact O-N 3.4Å; V281-M284 HydrophobicContact CG1-CE 4.16Å; V281-M284 WeakPolarHBondContact O-CB 3.46Å; V281-M284 PolarHBondContact O-N 3.31Å; M284-Y286 VanDerWaalsContact C-N 3.33Å; M284-Y286 PolarHBondContact O-N 3.01Å; M284-T287 PolarHBondContact O-N 2.8Å; M284-K288 PolarHBondContact O-N 3.16Å; M284-K288 VanDerWaalsContact O-N 3.1Å; M284-K288 HydrophobicContact SD-CD 3.64Å; M284-K288 WeakPolarHBondContact SD-CE 3.46Å; M284-K288 HydrophobicContact SD-CG 4.44Å
285	L	98.2	Very high	97.4	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-62.7	-41.3	176.4	-67.8	170.8	0	0	0	111.2	I191 C265 F275 V281 G282 T287 K288 A289	I191-L285 HydrophobicContact CD1-CD1 3.84Å; I191-L285 HydrophobicContact CD1-CD2 4.19Å; C265-L285 VanDerWaalsContact SG-CD2 3.52Å; F275-L285 HydrophobicContact CB-CD1 4.07Å; F275-L285 HydrophobicContact CD1-CD1 4.38Å; F275-L285 HydrophobicContact CD2-CD1 3.3Å; F275-L285 HydrophobicContact CE2-CD1 3.78Å; F275-L285 HydrophobicContact CG-CD1 3.66Å; F275-L285 HydrophobicContact CZ-CD1 4.48Å; V281-L285 HydrophobicContact CG1-CD1 3.9Å; V281-L285 HydrophobicContact CG1-CG 4.24Å; V281-L285 WeakPolarHBondContact O-CG 3.38Å; V281-L285 PolarHBondContact O-N 2.93Å; G282-L285 PolarHBondContact O-N 3.37Å; L285-T287 PolarHBondContact O-N 2.86Å; L285-K288 PolarHBondContact O-N 2.91Å; L285-A289 VanDerWaalsContact O-CB 3.26Å; L285-A289 WeakPolarHBondContact O-CB 3.31Å; L285-A289 PolarHBondContact O-N 3.1Å
286	Y	97.7	Very high	97.4	Very high	101 Å²	101	58.7 Å²	58.7	40%	0.396	32%	0.322	S	S	.	.	H	α-helix	trans	-60.1	-47.7	176.6	-179	-150.7	0	0	0	111.6	G282 T283 M284 K288 A289 A290 V296 L298 I514	G282-Y286 WeakPolarHBondContact O-CB 3.42Å; G282-Y286 PolarHBondContact O-N 3.49Å; T283-Y286 PolarHBondContact O-N 3.02Å; M284-Y286 VanDerWaalsContact C-N 3.33Å; M284-Y286 PolarHBondContact O-N 3.01Å; Y286-K288 VanDerWaalsContact C-N 3.3Å; Y286-K288 PolarHBondContact O-N 2.7Å; Y286-A289 PolarHBondContact O-N 3.47Å; Y286-A290 HydrophobicContact CD2-CB 4.49Å; Y286-A290 HydrophobicContact CE2-CB 4.34Å; Y286-A290 VanDerWaalsContact O-CB 3.28Å; Y286-A290 WeakPolarHBondContact O-CB 3.38Å; Y286-A290 PolarHBondContact O-N 2.74Å; Y286-V296 HydrophobicContact CD2-CB 4.41Å; Y286-V296 HydrophobicContact CD2-CG1 3.87Å; Y286-V296 HydrophobicContact CD2-CG2 3.77Å; Y286-V296 HydrophobicContact CE2-CG2 3.88Å; Y286-L298 HydrophobicContact CG-CD1 4.1Å; Y286-I514 HydrophobicContact CD1-CD1 4.14Å; Y286-I514 HydrophobicContact CE1-CD1 3.72Å
287	T	97.8	Very high	97.4	Very high	84 Å²	84	58.1 Å²	58.1	52%	0.515	32%	0.318	S	S	.	.	H	α-helix	trans	-57.1	-45.2	177.6	-56.4	0	0	0	0	111.3	T283 M284 L285	T283-T287 PolarHBondContact O-N 3.43Å; T283-T287 PolarHBondContact O-OG1 3.26Å; M284-T287 PolarHBondContact O-N 2.8Å; L285-T287 PolarHBondContact O-N 2.86Å
288	K	97.8	Very high	97.4	Very high	58 Å²	58	57 Å²	57	25%	0.252	31%	0.307	S	S	.	.	H	α-helix	trans	-64.6	-48.1	176.7	-70.8	176.2	-179.9	-88	0	111.8	N262 C265 M284 L285 Y286 A290 N291 Y292	N262-K288 PolarHBondContact OD1-NZ 3.09Å; N262-K288 VanDerWaalsContact OD1-NZ 3.1Å; C265-K288 HydrophobicContact CB-CB 3.79Å; M284-K288 PolarHBondContact O-N 3.16Å; M284-K288 VanDerWaalsContact O-N 3.1Å; M284-K288 HydrophobicContact SD-CD 3.64Å; M284-K288 WeakPolarHBondContact SD-CE 3.46Å; M284-K288 HydrophobicContact SD-CG 4.44Å; L285-K288 PolarHBondContact O-N 2.91Å; Y286-K288 VanDerWaalsContact C-N 3.3Å; Y286-K288 PolarHBondContact O-N 2.7Å; K288-A290 VanDerWaalsContact C-N 3.32Å; K288-A290 PolarHBondContact O-N 3.37Å; K288-N291 PolarHBondContact O-N 2.93Å; K288-Y292 WeakPolarHBondContact O-CD2 3.49Å
289	A	98	Very high	97.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.5	-36.1	-178.7	0	0	0	0	0	112.7	I273 L285 Y286 N291 Y292 G293 K294 V296	I273-A289 HydrophobicContact CG1-CB 4.16Å; L285-A289 VanDerWaalsContact O-CB 3.26Å; L285-A289 WeakPolarHBondContact O-CB 3.31Å; L285-A289 PolarHBondContact O-N 3.1Å; Y286-A289 PolarHBondContact O-N 3.47Å; A289-N291 VanDerWaalsContact C-N 3.32Å; A289-N291 PolarHBondContact O-N 3.34Å; A289-Y292 CarbonylContact O-C 3.43Å; A289-Y292 PolarHBondContact O-N 3.05Å; A289-Y292 VanDerWaalsContact O-N 3.1Å; A289-G293 PolarHBondContact O-N 3.22Å; A289-K294 HydrophobicContact CB-CB 4.22Å; A289-K294 PolarHBondContact O-N 2.83Å; A289-V296 HydrophobicContact CB-CG1 3.87Å
290	A	97.5	Very high	97.5	Very high	51 Å²	51	54.2 Å²	54.2	42%	0.421	29%	0.286	S	S	.	.	H	α-helix	trans	-62	-37.4	178.4	0	0	0	0	0	112.4	Y286 K288 Y292 G293	Y286-A290 HydrophobicContact CD2-CB 4.49Å; Y286-A290 HydrophobicContact CE2-CB 4.34Å; Y286-A290 VanDerWaalsContact O-CB 3.28Å; Y286-A290 WeakPolarHBondContact O-CB 3.38Å; Y286-A290 PolarHBondContact O-N 2.74Å; K288-A290 VanDerWaalsContact C-N 3.32Å; K288-A290 PolarHBondContact O-N 3.37Å; A290-Y292 PolarHBondContact O-N 3.26Å; A290-G293 PolarHBondContact O-N 3.22Å
291	N	97.3	Very high	97.3	Very high	129 Å²	129	45.8 Å²	45.8	69%	0.69	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.9	175.8	-69.4	-25.4	0	0	0	113.5	K288 A289	K288-N291 PolarHBondContact O-N 2.93Å; A289-N291 VanDerWaalsContact C-N 3.32Å; A289-N291 PolarHBondContact O-N 3.34Å
292	Y	97.2	Very high	97.3	Very high	133 Å²	133	43.1 Å²	43.1	52%	0.522	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	12.9	-179.9	-63.1	-93.6	0	0	0	112.7	T266 K288 A289 A290 K294	T266-Y292 HydrophobicContact CG2-CD2 4.07Å; T266-Y292 HydrophobicContact CG2-CE2 3.42Å; T266-Y292 VanDerWaalsContact CG2-CE2 3.42Å; T266-Y292 WeakPolarHBondContact O-CD1 3.46Å; K288-Y292 WeakPolarHBondContact O-CD2 3.49Å; A289-Y292 CarbonylContact O-C 3.43Å; A289-Y292 PolarHBondContact O-N 3.05Å; A289-Y292 VanDerWaalsContact O-N 3.1Å; A290-Y292 PolarHBondContact O-N 3.26Å; Y292-K294 PolarHBondContact O-N 2.96Å
293	G	96.2	Very high	97.2	Very high	72 Å²	72	43.2 Å²	43.2	74%	0.742	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	29.1	177.6	0	0	0	0	0	114.2	A289 A290	A289-G293 PolarHBondContact O-N 3.22Å; A290-G293 PolarHBondContact O-N 3.22Å
294	K	97.4	Very high	97.3	Very high	21 Å²	21	40.2 Å²	40.2	9%	0.091	22%	0.217	C	C	.	.			trans	-81.6	147.2	179.9	-58.5	-172.1	-169.5	-50.4	0	110.8	C265 H267 V270 I273 A289 Y292	C265-K294 WeakPolarHBondContact O-CD 3.34Å; C265-K294 WeakPolarHBondContact O-CE 3.28Å; H267-K294 WeakPolarHBondContact O-CE 3.32Å; H267-K294 PolarHBondContact O-NZ 3.35Å; V270-K294 WeakPolarHBondContact O-CD 3.11Å; V270-K294 WeakPolarHBondContact O-CE 3.3Å; V270-K294 PolarHBondContact O-NZ 2.86Å; I273-K294 HydrophobicContact CG1-CD 4.47Å; A289-K294 HydrophobicContact CB-CB 4.22Å; A289-K294 PolarHBondContact O-N 2.83Å; Y292-K294 PolarHBondContact O-N 2.96Å
295	R	97.5	Very high	97.3	Very high	74 Å²	74	36.7 Å²	36.7	28%	0.279	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	150.4	168.8	-165.4	176.7	-62	-175.4	-0.5	109.6	I185 R271 L272 I273 H524 E525 M527 D528	I185-R295 HydrophobicContact CD1-CB 3.85Å; R271-R295 PolarHBondContact O-N 3.17Å; L272-R295 CarbonylContact C-O 3.5Å; L272-R295 VanDerWaalsContact CA-O 3.24Å; L272-R295 WeakPolarHBondContact CA-O 3.42Å; L272-R295 HydrophobicContact CB-CB 4.28Å; L272-R295 HydrophobicContact CD1-CB 4.09Å; L272-R295 HydrophobicContact CD1-CG 4.05Å; L272-R295 HydrophobicContact CG-CB 4.19Å; I273-R295 PolarHBondContact N-O 3.09Å; R295-H524 PolarHBondContact NH1-O 3.04Å; R295-E525 WeakPolarHBondContact CD-O 3.46Å; R295-E525 PolarHBondContact NH1-O 3.16Å; R295-M527 VanDerWaalsContact CZ-O 3.25Å; R295-M527 PolarHBondContact NH1-O 2.95Å; R295-M527 PolarHBondContact NH2-O 3.29Å; R295-D528 IonicContact CZ-OD1 3.94Å; R295-D528 IonicContact NH2-OD1 3.1Å; R295-D528 PolarHBondContact NH2-OD1 3.33Å
296	V	98	Very high	97.3	Very high	13 Å²	13	36.5 Å²	36.5	8%	0.079	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.8	174.2	-63.4	0	0	0	0	110.5	I273 Y286 A289 L298 I514	I273-V296 HydrophobicContact CB-CG1 4.49Å; I273-V296 WeakPolarHBondContact O-CA 3.45Å; Y286-V296 HydrophobicContact CD2-CB 4.41Å; Y286-V296 HydrophobicContact CD2-CG1 3.87Å; Y286-V296 HydrophobicContact CD2-CG2 3.77Å; Y286-V296 HydrophobicContact CE2-CG2 3.88Å; A289-V296 HydrophobicContact CB-CG1 3.87Å; V296-L298 HydrophobicContact CB-CD1 4.1Å; V296-L298 HydrophobicContact CB-CD2 3.97Å; V296-L298 HydrophobicContact CB-CG 3.85Å; V296-L298 HydrophobicContact CG2-CD1 3.93Å; V296-L298 HydrophobicContact CG2-CG 4.04Å; V296-I514 HydrophobicContact CG2-CD1 4.4Å; V296-I514 HydrophobicContact CG2-CG2 4.38Å
297	L	98.1	Very high	97.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	100.7	170.3	176.2	61	0	0	0	107.2	L272 I273 G274 F275 E517 E525 F526	L272-L297 HydrophobicContact CD2-CB 4.42Å; I273-L297 PolarHBondContact O-N 3.01Å; G274-L297 CarbonylContact C-O 3.4Å; G274-L297 VanDerWaalsContact CA-O 3.3Å; G274-L297 WeakPolarHBondContact CA-O 3.28Å; F275-L297 PolarHBondContact N-O 3.47Å; L297-E517 HydrophobicContact CD1-CG 4.28Å; L297-E517 HydrophobicContact CD2-CG 4.14Å; L297-E517 HydrophobicContact CG-CG 4.32Å; L297-E525 HydrophobicContact CD1-CB 4.42Å; L297-E525 HydrophobicContact CD1-CG 4.05Å; L297-E525 HydrophobicContact CD2-CB 4.17Å; L297-F526 HydrophobicContact CD2-CE2 3.8Å; L297-F526 HydrophobicContact CD2-CZ 3.64Å
298	L	98.3	Very high	97.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.8	-165	-52.5	178.1	0	0	0	109.9	F275 Y286 V296 M300 G513 I514	F275-L298 HydrophobicContact CB-CD2 3.81Å; F275-L298 WeakPolarHBondContact O-CA 3.23Å; Y286-L298 HydrophobicContact CG-CD1 4.1Å; V296-L298 HydrophobicContact CB-CD1 4.1Å; V296-L298 HydrophobicContact CB-CD2 3.97Å; V296-L298 HydrophobicContact CB-CG 3.85Å; V296-L298 HydrophobicContact CG2-CD1 3.93Å; V296-L298 HydrophobicContact CG2-CG 4.04Å; L298-M300 HydrophobicContact CB-CG 4.23Å; L298-M300 HydrophobicContact CB-SD 4.49Å; L298-G513 CarbonylContact O-C 3.57Å; L298-G513 WeakPolarHBondContact O-CA 3.49Å; L298-I514 HydrophobicContact CD1-CD1 4.29Å; L298-I514 PolarHBondContact N-O 3.27Å; L298-I514 PolarHBondContact O-N 2.68Å
299	E	97.9	Very high	97.5	Very high	4 Å²	4	25 Å²	25	2%	0.019	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	106.7	169.3	-73.6	-61.9	121.3	0	0	108.6	F275 T276 G277 F506 G507 E517	F275-E299 PolarHBondContact O-N 3.38Å; T276-E299 WeakPolarHBondContact CA-O 3.45Å; T276-E299 HydrophobicContact CG2-CB 3.89Å; T276-E299 WeakPolarHBondContact OG1-CB 3.45Å; G277-E299 PolarHBondContact N-O 3.05Å; E299-F506 HydrophobicContact CG-CD1 4.46Å; E299-F506 WeakPolarHBondContact OE2-CD1 3.42Å; E299-F506 WeakPolarHBondContact OE2-CE1 3.2Å; E299-G507 WeakPolarHBondContact OE1-CA 3.42Å; E299-G507 WeakPolarHBondContact OE2-CA 3.38Å; E299-E517 VanDerWaalsContact CG-CD 3.45Å; E299-E517 HydrophobicContact CG-CG 3.93Å; E299-E517 WeakPolarHBondContact CG-OE1 3.39Å
300	M	97.1	Very high	97.5	Very high	14 Å²	14	28.2 Å²	28.2	7%	0.069	16%	0.161	C	C	.	.			trans	-111.3	-173.9	-169.5	-61.4	-169.4	-71.8	0	0	112.3	G277 L298 N511 S512	G277-M300 CarbonylContact O-C 3.53Å; G277-M300 VanDerWaalsContact O-CA 3.26Å; G277-M300 WeakPolarHBondContact O-CA 3.46Å; L298-M300 HydrophobicContact CB-CG 4.23Å; L298-M300 HydrophobicContact CB-SD 4.49Å; M300-N511 WeakPolarHBondContact CE-O 3.45Å; M300-S512 WeakPolarHBondContact CA-O 3.26Å; M300-S512 PolarHBondContact N-O 3.31Å
301	G	92.6	Very high	97.5	Very high	3 Å²	3	27.9 Å²	27.9	3%	0.031	16%	0.155	C	C	.	.			trans	-57.5	157.8	-175.2	0	0	0	0	0	113.2	G277 T279 Y466 S512	G277-G301 PolarHBondContact O-N 2.82Å; T279-G301 PolarHBondContact OG1-N 3.38Å; G301-Y466 WeakPolarHBondContact O-CD1 3.44Å; G301-S512 WeakPolarHBondContact O-CB 3.45Å; G301-S512 PolarHBondContact O-OG 3.02Å
302	G	95.2	Very high	97.6	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.01	13%	0.126	C	C	.	.			trans	-127.5	161.4	175.7	0	0	0	0	0	111.7	C333 E440	G302-C333 WeakPolarHBondContact CA-O 3.4Å; G302-E440 PolarHBondContact N-OE1 3.17Å; G302-E440 WeakPolarHBondContact O-CB 3.43Å; G302-E440 WeakPolarHBondContact O-CG 3.4Å; G302-E440 VanDerWaalsContact O-OE1 3.11Å
303	N	97.1	Very high	97.7	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	12%	0.119	C	C	.	.			trans	-146.5	64.5	170.1	-164.5	6.1	0	0	0	108.6	N337 R338 M437 E438 Y466	N303-N337 WeakPolarHBondContact OD1-CB 3.21Å; N303-R338 PolarHBondContact O-NE 2.98Å; N303-R338 PolarHBondContact O-NH2 3.1Å; N303-M437 PolarHBondContact ND2-O 2.95Å; N303-E438 PolarHBondContact ND2-O 3.46Å; N303-Y466 HydrophobicContact CB-CD2 3.43Å; N303-Y466 VanDerWaalsContact CB-CD2 3.43Å; N303-Y466 HydrophobicContact CB-CE2 4.11Å; N303-Y466 HydrophobicContact CB-CG 3.91Å
304	A	98.3	Very high	97.8	Very high	2 Å²	2	17.1 Å²	17.1	2%	0.017	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	130	-161	0	0	0	0	0	112.1	S335 N337 R338 A469 Y471	A304-S335 WeakPolarHBondContact CB-O 3.41Å; A304-N337 PolarHBondContact O-N 3.26Å; A304-R338 PolarHBondContact O-N 3.37Å; A304-R338 VanDerWaalsContact O-N 3.11Å; A304-A469 WeakPolarHBondContact CA-O 3.19Å; A304-A469 HydrophobicContact CB-CB 4.48Å; A304-A469 WeakPolarHBondContact CB-O 3.43Å; A304-Y471 HydrophobicContact CB-CD2 4.27Å; A304-Y471 HydrophobicContact CB-CE2 3.85Å
305	P	98.6	Very high	97.8	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.013	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	139.2	166	31.9	-31	0	0	0	109.7	I307 R338 F340 A461 A469 G470 Y471	P305-I307 HydrophobicContact CB-CG1 4.37Å; P305-R338 CarbonylContact C-O 3.58Å; P305-R338 WeakPolarHBondContact CA-O 3.07Å; P305-F340 HydrophobicContact CB-CD2 4.08Å; P305-F340 HydrophobicContact CB-CE2 3.87Å; P305-A461 HydrophobicContact CB-CB 3.77Å; P305-A461 HydrophobicContact CG-CB 4.06Å; P305-A469 WeakPolarHBondContact CD-O 3.43Å; P305-G470 WeakPolarHBondContact O-CA 3.23Å; P305-Y471 PolarHBondContact O-N 3.2Å
306	F	98.8	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	104.1	170.9	-174.3	-74.9	0	0	0	108	V308 A317 A321 A336 R338 I339 F340 Y471 Y473	F306-V308 HydrophobicContact CD1-CG2 3.75Å; F306-V308 HydrophobicContact CE1-CG2 3.51Å; F306-A317 WeakPolarHBondContact CZ-O 3.44Å; F306-A321 HydrophobicContact CD1-CB 4.42Å; F306-A321 HydrophobicContact CE1-CB 3.83Å; F306-A321 HydrophobicContact CE2-CB 4.3Å; F306-A321 HydrophobicContact CZ-CB 3.76Å; F306-A321 VanDerWaalsContact CZ-N 3.32Å; F306-A336 HydrophobicContact CB-CB 3.7Å; F306-A336 HydrophobicContact CD2-CB 3.71Å; F306-A336 HydrophobicContact CG-CB 3.98Å; F306-R338 PolarHBondContact N-O 3.31Å; F306-I339 HydrophobicContact CB-CG1 4.16Å; F306-I339 HydrophobicContact CD1-CG2 4.12Å; F306-I339 CarbonylContact O-C 3.14Å; F306-I339 WeakPolarHBondContact O-CA 3.32Å; F306-F340 PolarHBondContact O-N 3.18Å; F306-Y471 HydrophobicContact CB-CD2 4.45Å; F306-Y471 VanDerWaalsContact CD2-CB 3.49Å; F306-Y471 AromaticContact CD2-CD2 3.95Å; F306-Y471 HydrophobicContact CD2-CD2 3.95Å; F306-Y471 AromaticContact CD2-CG 3.82Å; F306-Y471 HydrophobicContact CD2-CG 3.82Å; F306-Y471 HydrophobicContact CE2-CG 4.41Å; F306-Y473 HydrophobicContact CD2-CE2 4.38Å; F306-Y473 AromaticContact CE1-CD2 3.75Å; F306-Y473 HydrophobicContact CE1-CD2 3.75Å; F306-Y473 AromaticContact CE1-CE2 3.91Å; F306-Y473 HydrophobicContact CE1-CE2 3.91Å; F306-Y473 HydrophobicContact CE2-CD2 4.01Å; F306-Y473 AromaticContact CE2-CE2 3.39Å; F306-Y473 HydrophobicContact CE2-CE2 3.39Å; F306-Y473 AromaticContact CZ-CD2 3.44Å; F306-Y473 HydrophobicContact CZ-CD2 3.44Å; F306-Y473 VanDerWaalsContact CZ-CD2 3.44Å; F306-Y473 AromaticContact CZ-CE2 3.09Å; F306-Y473 HydrophobicContact CZ-CE2 3.09Å; F306-Y473 HydrophobicContact CZ-CG 4.39Å; F306-Y473 AromaticContact CZ-CZ 3.78Å
307	I	98.9	Very high	97.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.5	-167.7	-54.2	169.5	0	0	0	109.3	P305 F309 F340 F451 V457 A461 Y471 I472 Y473 I483 L487	P305-I307 HydrophobicContact CB-CG1 4.37Å; I307-F309 HydrophobicContact CB-CE2 4.31Å; I307-F309 HydrophobicContact CG2-CD2 3.92Å; I307-F309 HydrophobicContact CG2-CE2 3.29Å; I307-F309 HydrophobicContact CG2-CZ 3.67Å; I307-F340 CarbonylContact C-O 3.5Å; I307-F340 WeakPolarHBondContact CA-O 3.3Å; I307-F340 HydrophobicContact CG1-CB 4.33Å; I307-F340 HydrophobicContact CG1-CD2 4.23Å; I307-F451 HydrophobicContact CG2-CE1 3.93Å; I307-F451 HydrophobicContact CG2-CZ 3.87Å; I307-V457 HydrophobicContact CB-CG2 4.49Å; I307-V457 HydrophobicContact CD1-CG2 4.03Å; I307-V457 HydrophobicContact CG1-CG2 3.96Å; I307-V457 HydrophobicContact CG2-CG1 4.11Å; I307-V457 HydrophobicContact CG2-CG2 3.75Å; I307-A461 HydrophobicContact CD1-CB 3.98Å; I307-Y471 PolarHBondContact N-O 3.38Å; I307-I472 CarbonylContact O-C 3.59Å; I307-I472 WeakPolarHBondContact O-CA 3.49Å; I307-Y473 PolarHBondContact O-N 2.87Å; I307-I483 HydrophobicContact CD1-CG2 4.43Å; I307-L487 HydrophobicContact CD1-CD1 4.31Å; I307-L487 HydrophobicContact CD1-CD2 4.07Å
308	V	98.9	Very high	97.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	109.9	178.2	-167.3	0	0	0	0	109	F306 A312 A317 F340 V341 H342 I345 F349	F306-V308 HydrophobicContact CD1-CG2 3.75Å; F306-V308 HydrophobicContact CE1-CG2 3.51Å; V308-A312 HydrophobicContact CG1-CB 3.68Å; V308-A317 HydrophobicContact CG1-CB 3.63Å; V308-A317 HydrophobicContact CG2-CB 4.11Å; V308-F340 PolarHBondContact N-O 2.92Å; V308-V341 HydrophobicContact CB-CG1 4.37Å; V308-V341 HydrophobicContact CB-CG2 4.48Å; V308-V341 HydrophobicContact CG2-CG2 4.49Å; V308-H342 PolarHBondContact O-N 3.17Å; V308-I345 HydrophobicContact CB-CD1 4.43Å; V308-I345 HydrophobicContact CG1-CD1 3.68Å; V308-F349 HydrophobicContact CG1-CD2 4.3Å; V308-F349 HydrophobicContact CG1-CE2 4.39Å; V308-F349 HydrophobicContact CG2-CD2 4.43Å; V308-F349 HydrophobicContact CG2-CE2 3.86Å; V308-F349 HydrophobicContact CG2-CZ 4.14Å
309	F	98.8	Very high	97.9	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.009	14%	0.143	C	C	.	.			trans	-80.5	159.8	175.5	-72.5	-84	0	0	0	111.7	I307 S311 A312 I345 F451 E454 V457 I472 Y473 Q479 I483	I307-F309 HydrophobicContact CB-CE2 4.31Å; I307-F309 HydrophobicContact CG2-CD2 3.92Å; I307-F309 HydrophobicContact CG2-CE2 3.29Å; I307-F309 HydrophobicContact CG2-CZ 3.67Å; F309-S311 PolarHBondContact O-N 2.92Å; F309-A312 WeakPolarHBondContact O-CB 3.36Å; F309-A312 PolarHBondContact O-N 2.7Å; F309-I345 WeakPolarHBondContact O-CD1 3.35Å; F309-F451 AromaticContact CD1-CE2 3.99Å; F309-F451 HydrophobicContact CD1-CE2 3.99Å; F309-F451 AromaticContact CD1-CZ 3.84Å; F309-F451 HydrophobicContact CD1-CZ 3.84Å; F309-F451 AromaticContact CE1-CE2 3.62Å; F309-F451 HydrophobicContact CE1-CE2 3.62Å; F309-F451 AromaticContact CE1-CZ 3.72Å; F309-F451 HydrophobicContact CE1-CZ 3.72Å; F309-F451 HydrophobicContact CG-CZ 4.36Å; F309-F451 HydrophobicContact CZ-CE2 4.24Å; F309-F451 HydrophobicContact CZ-CZ 4.1Å; F309-E454 HydrophobicContact CE1-CB 4.33Å; F309-E454 HydrophobicContact CE1-CG 4.47Å; F309-V457 HydrophobicContact CE1-CG1 4.08Å; F309-V457 HydrophobicContact CZ-CG1 3.66Å; F309-I472 HydrophobicContact CD2-CG2 4.23Å; F309-I472 HydrophobicContact CE2-CG2 4.07Å; F309-Y473 PolarHBondContact N-O 3.37Å; F309-Q479 HydrophobicContact CD2-CG 4.47Å; F309-Q479 HydrophobicContact CE2-CG 4.46Å; F309-I483 HydrophobicContact CD2-CD1 4.12Å; F309-I483 HydrophobicContact CE1-CD1 4.05Å; F309-I483 HydrophobicContact CE2-CD1 3.1Å; F309-I483 HydrophobicContact CZ-CD1 3.07Å; F309-I483 HydrophobicContact CZ-CG1 4.4Å
310	D	98.3	Very high	98	Very high	67 Å²	67	25.7 Å²	25.7	36%	0.358	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-39.9	172.7	61.1	-28.5	0	0	0	113.7	A312 H342 E344	D310-A312 PolarHBondContact O-N 3.2Å; D310-H342 HydrophobicContact CB-CB 4.5Å; D310-E344 HydrophobicContact CB-CB 4.44Å
311	S	98	Very high	98.1	Very high	45 Å²	45	25 Å²	25	32%	0.315	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.8	179.3	66.5	0	0	0	0	114.2	F309 T474 E475	F309-S311 PolarHBondContact O-N 2.92Å; S311-T474 PolarHBondContact OG-OG1 2.91Å; S311-E475 VanDerWaalsContact O-CB 3.28Å; S311-E475 WeakPolarHBondContact O-CB 3.04Å; S311-E475 WeakPolarHBondContact O-CG 3.17Å; S311-E475 PolarHBondContact O-N 3.24Å
312	A	98.5	Very high	98.3	Very high	9 Å²	9	25.9 Å²	25.9	7%	0.074	15%	0.147	C	C	.	.	S	Bend	trans	-66.3	147	-178.5	0	0	0	0	0	112.4	V308 F309 D310 I314 Y473	V308-A312 HydrophobicContact CG1-CB 3.68Å; F309-A312 WeakPolarHBondContact O-CB 3.36Å; F309-A312 PolarHBondContact O-N 2.7Å; D310-A312 PolarHBondContact O-N 3.2Å; A312-I314 PolarHBondContact O-N 3.16Å; A312-Y473 WeakPolarHBondContact CB-O 3.08Å
313	N	98.5	Very high	98.5	Very high	70 Å²	70	27.1 Å²	27.1	37%	0.374	16%	0.16	S	C	.	.			trans	-65.6	104.3	159	-174.9	-57.7	0	0	0	109.6	E315 K316 A317	N313-E315 VanDerWaalsContact C-N 3.31Å; N313-E315 PolarHBondContact O-N 2.97Å; N313-E315 PolarHBondContact OD1-N 3.36Å; N313-K316 HydrophobicContact CB-CB 3.93Å; N313-K316 PolarHBondContact O-N 2.95Å; N313-K316 WeakPolarHBondContact OD1-CB 3.37Å; N313-K316 PolarHBondContact OD1-N 3.02Å; N313-A317 WeakPolarHBondContact O-CB 3.33Å; N313-A317 PolarHBondContact O-N 3.44Å
314	I	98.4	Very high	98.5	Very high	29 Å²	29	27 Å²	27	15%	0.149	16%	0.159	C	C	.	.	H	α-helix	trans	-60.4	-40.5	-172.9	-63.4	177.8	0	0	0	111.4	A312 A317 V318 I345 V348 F349 K352	A312-I314 PolarHBondContact O-N 3.16Å; I314-A317 PolarHBondContact O-N 3.11Å; I314-V318 HydrophobicContact CG2-CG2 4.26Å; I314-V318 WeakPolarHBondContact O-CB 3.06Å; I314-V318 VanDerWaalsContact O-CG2 3.29Å; I314-V318 WeakPolarHBondContact O-CG2 3.27Å; I314-V318 PolarHBondContact O-N 3.46Å; I314-I345 HydrophobicContact CD1-CB 4.09Å; I314-I345 HydrophobicContact CD1-CG2 3.96Å; I314-I345 HydrophobicContact CG1-CD1 4.44Å; I314-V348 HydrophobicContact CD1-CG1 4.15Å; I314-V348 HydrophobicContact CG2-CG1 4.49Å; I314-F349 HydrophobicContact CG2-CD2 4.48Å; I314-K352 HydrophobicContact CG2-CD 4.03Å
315	E	98.5	Very high	98.5	Very high	105 Å²	105	26.9 Å²	26.9	49%	0.491	16%	0.159	S	C	.	.	H	α-helix	trans	-65.2	-43.8	-178.4	-69.1	63.2	-153.1	0	0	110.4	N313 A317 V318 A319 K352	N313-E315 VanDerWaalsContact C-N 3.31Å; N313-E315 PolarHBondContact O-N 2.97Å; N313-E315 PolarHBondContact OD1-N 3.36Å; E315-A317 VanDerWaalsContact C-N 3.34Å; E315-V318 PolarHBondContact O-N 3.22Å; E315-A319 WeakPolarHBondContact O-CB 3.49Å; E315-A319 PolarHBondContact O-N 3.35Å; E315-K352 IonicContact OE1-NZ 2.86Å; E315-K352 PolarHBondContact OE1-NZ 3.47Å
316	K	98.5	Very high	98.5	Very high	102 Å²	102	27 Å²	27	44%	0.443	16%	0.159	S	C	.	.	H	α-helix	trans	-65.1	-39.8	174.6	-160.4	-168.7	-170.3	-170	0	111.2	N313 G320 Y473 N495	N313-K316 HydrophobicContact CB-CB 3.93Å; N313-K316 PolarHBondContact O-N 2.95Å; N313-K316 WeakPolarHBondContact OD1-CB 3.37Å; N313-K316 PolarHBondContact OD1-N 3.02Å; K316-G320 PolarHBondContact O-N 2.79Å; K316-Y473 HydrophobicContact CB-CE1 4.45Å; K316-Y473 HydrophobicContact CD-CE1 4.39Å; K316-Y473 HydrophobicContact CG-CE1 4.13Å; K316-Y473 WeakPolarHBondContact O-CE1 3.42Å; K316-N495 HydrophobicContact CD-CB 4.37Å; K316-N495 WeakPolarHBondContact CE-O 3.36Å; K316-N495 PolarHBondContact NZ-O 2.87Å
317	A	98.8	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.6	-44.1	177.5	0	0	0	0	0	112	F306 V308 N313 I314 E315 G320 A321 F349 Y473	F306-A317 WeakPolarHBondContact CZ-O 3.44Å; V308-A317 HydrophobicContact CG1-CB 3.63Å; V308-A317 HydrophobicContact CG2-CB 4.11Å; N313-A317 WeakPolarHBondContact O-CB 3.33Å; N313-A317 PolarHBondContact O-N 3.44Å; I314-A317 PolarHBondContact O-N 3.11Å; E315-A317 VanDerWaalsContact C-N 3.34Å; A317-G320 PolarHBondContact O-N 2.81Å; A317-A321 WeakPolarHBondContact O-CB 3.49Å; A317-A321 PolarHBondContact O-N 2.95Å; A317-F349 HydrophobicContact CB-CD2 4.42Å; A317-F349 HydrophobicContact CB-CE2 3.91Å; A317-Y473 VanDerWaalsContact CA-CD1 3.41Å; A317-Y473 HydrophobicContact CB-CD1 3.64Å; A317-Y473 HydrophobicContact CB-CE1 4.25Å; A317-Y473 HydrophobicContact CB-CG 3.84Å
318	V	98.8	Very high	98.3	Very high	11 Å²	11	29.9 Å²	29.9	7%	0.067	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-49.4	176.1	169.4	0	0	0	0	110.8	I314 E315 G320 A321 V322 F349 K352 A356	I314-V318 HydrophobicContact CG2-CG2 4.26Å; I314-V318 WeakPolarHBondContact O-CB 3.06Å; I314-V318 VanDerWaalsContact O-CG2 3.29Å; I314-V318 WeakPolarHBondContact O-CG2 3.27Å; I314-V318 PolarHBondContact O-N 3.46Å; E315-V318 PolarHBondContact O-N 3.22Å; V318-G320 VanDerWaalsContact C-N 3.27Å; V318-G320 PolarHBondContact O-N 2.91Å; V318-A321 PolarHBondContact O-N 3.21Å; V318-V322 WeakPolarHBondContact O-CG2 3.27Å; V318-V322 PolarHBondContact O-N 3.24Å; V318-F349 HydrophobicContact CG2-CD2 3.71Å; V318-F349 HydrophobicContact CG2-CE2 3.75Å; V318-F349 HydrophobicContact CG2-CG 4.41Å; V318-F349 HydrophobicContact CG2-CZ 4.49Å; V318-K352 HydrophobicContact CG1-CB 4.39Å; V318-K352 HydrophobicContact CG2-CB 3.79Å; V318-A356 HydrophobicContact CG1-CB 3.92Å
319	A	98.5	Very high	98.3	Very high	66 Å²	66	29.9 Å²	29.9	55%	0.545	17%	0.17	S	C	.	.	H	α-helix	trans	-60.1	-39.9	176.9	0	0	0	0	0	111.9	E315 G323	E315-A319 WeakPolarHBondContact O-CB 3.49Å; E315-A319 PolarHBondContact O-N 3.35Å; A319-G323 PolarHBondContact O-N 3.39Å
320	G	98.6	Very high	98.2	Very high	8 Å²	8	29.8 Å²	29.8	8%	0.082	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-48.9	173.3	0	0	0	0	0	113.7	K316 A317 V318 G323 C324 Y473	K316-G320 PolarHBondContact O-N 2.79Å; A317-G320 PolarHBondContact O-N 2.81Å; V318-G320 VanDerWaalsContact C-N 3.27Å; V318-G320 PolarHBondContact O-N 2.91Å; G320-G323 PolarHBondContact O-N 2.72Å; G320-C324 WeakPolarHBondContact O-CB 3.5Å; G320-C324 PolarHBondContact O-N 2.91Å; G320-Y473 WeakPolarHBondContact CA-OH 3.45Å
321	A	98.7	Very high	98.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.4	-44.5	178.6	0	0	0	0	0	110.8	F306 A317 V318 C324 K325 I339 F349 L353	F306-A321 HydrophobicContact CD1-CB 4.42Å; F306-A321 HydrophobicContact CE1-CB 3.83Å; F306-A321 HydrophobicContact CE2-CB 4.3Å; F306-A321 HydrophobicContact CZ-CB 3.76Å; F306-A321 VanDerWaalsContact CZ-N 3.32Å; A317-A321 WeakPolarHBondContact O-CB 3.49Å; A317-A321 PolarHBondContact O-N 2.95Å; V318-A321 PolarHBondContact O-N 3.21Å; A321-C324 PolarHBondContact O-N 2.86Å; A321-K325 WeakPolarHBondContact O-CB 3.46Å; A321-K325 PolarHBondContact O-N 2.72Å; A321-I339 HydrophobicContact CB-CD1 4.44Å; A321-F349 HydrophobicContact CB-CZ 4.01Å; A321-L353 HydrophobicContact CB-CD1 4.19Å
322	V	98.6	Very high	98.2	Very high	22 Å²	22	24.5 Å²	24.5	13%	0.133	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-52.8	177	173	0	0	0	0	110.9	V318 C324 K325 F326 L353 A356 V357 L360	V318-V322 WeakPolarHBondContact O-CG2 3.27Å; V318-V322 PolarHBondContact O-N 3.24Å; V322-C324 VanDerWaalsContact C-N 3.31Å; V322-C324 PolarHBondContact O-N 2.69Å; V322-K325 PolarHBondContact O-N 2.78Å; V322-F326 HydrophobicContact CG1-CD2 4.41Å; V322-F326 WeakPolarHBondContact O-CB 3.3Å; V322-F326 PolarHBondContact O-N 2.75Å; V322-L353 HydrophobicContact CG2-CD1 3.76Å; V322-A356 HydrophobicContact CG2-CB 3.86Å; V322-V357 HydrophobicContact CG2-CG2 4.36Å; V322-L360 HydrophobicContact CG1-CD1 4.26Å; V322-L360 HydrophobicContact CG1-CD2 4.32Å
323	G	97.6	Very high	98.2	Very high	27 Å²	27	25.3 Å²	25.3	28%	0.278	14%	0.143	S	C	.	.	H	α-helix	trans	-63.9	-33	-179.4	0	0	0	0	0	113.8	A319 G320 R327	A319-G323 PolarHBondContact O-N 3.39Å; G320-G323 PolarHBondContact O-N 2.72Å; G323-R327 WeakPolarHBondContact O-CB 3.07Å
324	C	98.1	Very high	98.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-78.2	-43.4	178.7	-171.2	0	0	0	0	112.5	G320 A321 V322 S335 A336 Y471	G320-C324 WeakPolarHBondContact O-CB 3.5Å; G320-C324 PolarHBondContact O-N 2.91Å; A321-C324 PolarHBondContact O-N 2.86Å; V322-C324 VanDerWaalsContact C-N 3.31Å; V322-C324 PolarHBondContact O-N 2.69Å; C324-S335 PolarHBondContact O-OG 3.42Å; C324-S335 VanDerWaalsContact O-OG 3.11Å; C324-A336 HydrophobicContact CB-CB 4.07Å; C324-A336 PolarHBondContact SG-N 3.27Å; C324-A336 VanDerWaalsContact SG-N 3.37Å; C324-Y471 WeakPolarHBondContact SG-CE2 3.35Å
325	K	98.5	Very high	98.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-81.8	-39.5	-174	178.9	62	-126.1	-162	0	113.4	A321 V322 G330 A336 N337 G443 V445 A446	A321-K325 WeakPolarHBondContact O-CB 3.46Å; A321-K325 PolarHBondContact O-N 2.72Å; V322-K325 PolarHBondContact O-N 2.78Å; K325-G330 WeakPolarHBondContact O-CA 3.27Å; K325-G330 PolarHBondContact O-N 2.8Å; K325-A336 HydrophobicContact CB-CB 4.44Å; K325-A336 WeakPolarHBondContact CD-O 3.4Å; K325-N337 PolarHBondContact NZ-OD1 3.33Å; K325-G443 WeakPolarHBondContact CE-O 3.2Å; K325-G443 PolarHBondContact NZ-O 2.92Å; K325-V445 VanDerWaalsContact CD-O 3.23Å; K325-V445 WeakPolarHBondContact CD-O 3.49Å; K325-V445 WeakPolarHBondContact CE-O 3.31Å; K325-V445 PolarHBondContact NZ-O 3.14Å; K325-A446 HydrophobicContact CG-CB 3.87Å
326	F	98.3	Very high	98.1	Very high	5 Å²	5	15.9 Å²	15.9	2%	0.022	10%	0.096	C	C	.	.	H	α-helix	trans	-99.2	-11.9	-167.9	-67.8	-83.3	0	0	0	113.9	V322 C328 S329 V357 L360 L372 A424 P444 A446	V322-F326 HydrophobicContact CG1-CD2 4.41Å; V322-F326 WeakPolarHBondContact O-CB 3.3Å; V322-F326 PolarHBondContact O-N 2.75Å; F326-C328 PolarHBondContact O-N 3.49Å; F326-S329 WeakPolarHBondContact O-CA 3.41Å; F326-S329 PolarHBondContact O-N 2.88Å; F326-V357 HydrophobicContact CD2-CG2 4.15Å; F326-V357 HydrophobicContact CE1-CG1 4.2Å; F326-V357 HydrophobicContact CE1-CG2 4.37Å; F326-V357 HydrophobicContact CE2-CG2 3.36Å; F326-V357 HydrophobicContact CZ-CB 4.43Å; F326-V357 HydrophobicContact CZ-CG1 3.96Å; F326-V357 HydrophobicContact CZ-CG2 3.49Å; F326-V357 VanDerWaalsContact CZ-CG2 3.49Å; F326-L360 HydrophobicContact CB-CD1 3.84Å; F326-L360 HydrophobicContact CD1-CD1 3.98Å; F326-L360 HydrophobicContact CD2-CD1 4.14Å; F326-L360 HydrophobicContact CG-CD1 3.7Å; F326-L372 HydrophobicContact CB-CD2 3.87Å; F326-L372 HydrophobicContact CD1-CD1 4.24Å; F326-L372 WeakPolarHBondContact O-CD2 3.33Å; F326-A424 HydrophobicContact CD1-CB 4.08Å; F326-A424 HydrophobicContact CE1-CB 3.74Å; F326-P444 HydrophobicContact CD1-CB 4.02Å; F326-P444 HydrophobicContact CE1-CB 4.24Å; F326-P444 WeakPolarHBondContact CE1-O 3.39Å; F326-A446 HydrophobicContact CE2-CB 4.11Å; F326-A446 HydrophobicContact CZ-CB 3.98Å
327	R	96.4	Very high	98	Very high	56 Å²	56	11.1 Å²	11.1	21%	0.211	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-51.9	135.1	170.3	179.7	179.8	64.1	-176.3	-3.3	111.2	G323 S329 G330	G323-R327 WeakPolarHBondContact O-CB 3.07Å; R327-S329 PolarHBondContact O-N 3.32Å; R327-G330 PolarHBondContact O-N 2.77Å
328	C	97.5	Very high	98	Very high	3 Å²	3	11.4 Å²	11.4	2%	0.02	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	51.4	34.8	-174.8	-58	0	0	0	0	112.8	D141 F326 G330 Q331 T332	D141-C328 WeakPolarHBondContact OD2-CA 3.46Å; D141-C328 PolarHBondContact OD2-N 2.84Å; F326-C328 PolarHBondContact O-N 3.49Å; C328-G330 PolarHBondContact O-N 2.93Å; C328-Q331 VanDerWaalsContact O-CB 3.29Å; C328-Q331 WeakPolarHBondContact O-CB 3.44Å; C328-Q331 PolarHBondContact O-N 2.76Å; C328-Q331 VanDerWaalsContact O-N 3.09Å; C328-Q331 PolarHBondContact O-NE2 2.76Å; C328-T332 HydrophobicContact CB-CG2 3.85Å
329	S	98.1	Very high	98	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	55.1	35.1	-173.9	-55.2	0	0	0	0	112.9	F326 R327 Q331 G373 G443 P444	F326-S329 WeakPolarHBondContact O-CA 3.41Å; F326-S329 PolarHBondContact O-N 2.88Å; R327-S329 PolarHBondContact O-N 3.32Å; S329-Q331 PolarHBondContact O-N 2.76Å; S329-G373 PolarHBondContact OG-N 3.13Å; S329-G373 VanDerWaalsContact OG-N 3.16Å; S329-G373 PolarHBondContact OG-O 3.22Å; S329-G443 CarbonylContact O-C 3.6Å; S329-G443 VanDerWaalsContact O-CA 3.3Å; S329-G443 WeakPolarHBondContact O-CA 3.31Å; S329-P444 WeakPolarHBondContact O-CD 3.11Å
330	G	98.1	Very high	98	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	70.8	12.7	-179.2	0	0	0	0	0	115.6	K325 R327 C328 T332 F442 G443	K325-G330 WeakPolarHBondContact O-CA 3.27Å; K325-G330 PolarHBondContact O-N 2.8Å; R327-G330 PolarHBondContact O-N 2.77Å; C328-G330 PolarHBondContact O-N 2.93Å; G330-T332 PolarHBondContact O-N 3.35Å; G330-T332 VanDerWaalsContact O-N 3.11Å; G330-F442 CarbonylContact O-C 3.54Å; G330-G443 PolarHBondContact O-N 2.94Å
331	Q	98.3	Very high	98	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.043	C	C	.	.			trans	-86.6	48.8	177.5	-61.2	173.7	112	0	0	111.3	W194 N195 C328 S329 P374 V375 F442	W194-Q331 HydrophobicContact CH2-CB 3.69Å; W194-Q331 HydrophobicContact CH2-CG 3.82Å; W194-Q331 HydrophobicContact CZ3-CB 3.86Å; W194-Q331 HydrophobicContact CZ3-CG 4.2Å; N195-Q331 WeakPolarHBondContact CB-O 3.01Å; N195-Q331 PolarHBondContact ND2-O 2.86Å; C328-Q331 VanDerWaalsContact O-CB 3.29Å; C328-Q331 WeakPolarHBondContact O-CB 3.44Å; C328-Q331 PolarHBondContact O-N 2.76Å; C328-Q331 VanDerWaalsContact O-N 3.09Å; C328-Q331 PolarHBondContact O-NE2 2.76Å; S329-Q331 PolarHBondContact O-N 2.76Å; Q331-P374 PolarHBondContact NE2-O 3.08Å; Q331-V375 VanDerWaalsContact OE1-CA 3.23Å; Q331-F442 VanDerWaalsContact C-CZ 3.49Å; Q331-F442 HydrophobicContact CB-CD1 3.86Å; Q331-F442 HydrophobicContact CB-CE1 3.74Å; Q331-F442 HydrophobicContact CG-CD1 4.13Å; Q331-F442 HydrophobicContact CG-CE1 4.46Å; Q331-F442 WeakPolarHBondContact CG-O 3.41Å; Q331-F442 WeakPolarHBondContact O-CZ 3.31Å
332	T	97.7	Very high	98	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.006	5%	0.049	C	C	.	.	S	Bend	trans	-128.5	137.6	177.7	86.8	0	0	0	0	110.6	F196 C328 G330 I334 S335	F196-T332 HydrophobicContact CE2-CG2 3.87Å; F196-T332 HydrophobicContact CZ-CG2 3.74Å; C328-T332 HydrophobicContact CB-CG2 3.85Å; G330-T332 PolarHBondContact O-N 3.35Å; G330-T332 VanDerWaalsContact O-N 3.11Å; T332-I334 PolarHBondContact O-N 2.67Å; T332-I334 VanDerWaalsContact O-N 3.17Å; T332-S335 WeakPolarHBondContact O-CB 3.42Å; T332-S335 PolarHBondContact O-N 3.18Å; T332-S335 PolarHBondContact O-OG 3.31Å; T332-S335 PolarHBondContact OG1-N 3.43Å; T332-S335 PolarHBondContact OG1-OG 3.1Å
333	C	97.4	Very high	98	Very high	26 Å²	26	10.2 Å²	10.2	18%	0.176	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.4	-176.8	52.2	0	0	0	0	113.6	G302 L468	G302-C333 WeakPolarHBondContact CA-O 3.4Å; C333-L468 HydrophobicContact CB-CD2 3.64Å
334	I	97.9	Very high	98.1	Very high	6 Å²	6	15.9 Å²	15.9	3%	0.031	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	8.6	178	60.6	170.2	0	0	0	112.8	T332 L468 A469 Y471 M491 V499 F506	T332-I334 PolarHBondContact O-N 2.67Å; T332-I334 VanDerWaalsContact O-N 3.17Å; I334-L468 HydrophobicContact CG2-CD2 3.71Å; I334-L468 HydrophobicContact CG2-CG 3.97Å; I334-A469 HydrophobicContact CB-CB 4.06Å; I334-A469 HydrophobicContact CG2-CB 3.86Å; I334-Y471 WeakPolarHBondContact O-CE2 3.45Å; I334-Y471 PolarHBondContact O-OH 2.93Å; I334-M491 HydrophobicContact CG2-CE 4.13Å; I334-V499 HydrophobicContact CD1-CG2 3.95Å; I334-F506 HydrophobicContact CD1-CE2 4.49Å; I334-F506 HydrophobicContact CG2-CE2 4.07Å; I334-F506 HydrophobicContact CG2-CZ 3.91Å
335	S	97.8	Very high	98.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.			trans	-63.3	141.6	-179.9	-79.7	0	0	0	0	112.6	A304 C324 T332 N337	A304-S335 WeakPolarHBondContact CB-O 3.41Å; C324-S335 PolarHBondContact O-OG 3.42Å; C324-S335 VanDerWaalsContact O-OG 3.11Å; T332-S335 WeakPolarHBondContact O-CB 3.42Å; T332-S335 PolarHBondContact O-N 3.18Å; T332-S335 PolarHBondContact O-OG 3.31Å; T332-S335 PolarHBondContact OG1-N 3.43Å; T332-S335 PolarHBondContact OG1-OG 3.1Å; S335-N337 PolarHBondContact O-N 3.36Å; S335-N337 PolarHBondContact O-ND2 2.99Å
336	A	97.8	Very high	98.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	90.5	174.3	0	0	0	0	0	111.5	F306 C324 K325 I339	F306-A336 HydrophobicContact CB-CB 3.7Å; F306-A336 HydrophobicContact CD2-CB 3.71Å; F306-A336 HydrophobicContact CG-CB 3.98Å; C324-A336 HydrophobicContact CB-CB 4.07Å; C324-A336 PolarHBondContact SG-N 3.27Å; C324-A336 VanDerWaalsContact SG-N 3.37Å; K325-A336 HydrophobicContact CB-CB 4.44Å; K325-A336 WeakPolarHBondContact CD-O 3.4Å; A336-I339 HydrophobicContact CB-CG1 4.4Å
337	N	96.8	Very high	98.1	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-33.2	-175.6	-73.1	-36.1	0	0	0	112.6	N303 A304 K325 S335	N303-N337 WeakPolarHBondContact OD1-CB 3.21Å; A304-N337 PolarHBondContact O-N 3.26Å; K325-N337 PolarHBondContact NZ-OD1 3.33Å; S335-N337 PolarHBondContact O-N 3.36Å; S335-N337 PolarHBondContact O-ND2 2.99Å
338	R	98.3	Very high	98.2	Very high	6 Å²	6	21.2 Å²	21.2	2%	0.023	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	91.2	180	-60.8	-180	-61.8	133	-0.1	109.4	N303 A304 P305 F306 F340 M437 L460 A461	N303-R338 PolarHBondContact O-NE 2.98Å; N303-R338 PolarHBondContact O-NH2 3.1Å; A304-R338 PolarHBondContact O-N 3.37Å; A304-R338 VanDerWaalsContact O-N 3.11Å; P305-R338 CarbonylContact C-O 3.58Å; P305-R338 WeakPolarHBondContact CA-O 3.07Å; F306-R338 PolarHBondContact N-O 3.31Å; R338-F340 HydrophobicContact CB-CD2 4.39Å; R338-F340 HydrophobicContact CB-CE2 3.6Å; R338-F340 HydrophobicContact CB-CZ 3.94Å; R338-F340 WeakPolarHBondContact O-CD2 3.48Å; R338-F340 PolarHBondContact O-N 2.9Å; R338-M437 HydrophobicContact CB-CE 3.64Å; R338-M437 HydrophobicContact CB-SD 4.14Å; R338-M437 WeakPolarHBondContact CD-O 3.36Å; R338-M437 HydrophobicContact CG-CE 3.81Å; R338-M437 HydrophobicContact CG-SD 3.97Å; R338-L460 PolarHBondContact NH1-O 2.92Å; R338-A461 PolarHBondContact NH1-O 3.18Å; R338-A461 VanDerWaalsContact NH1-O 3.08Å; R338-A461 PolarHBondContact NH2-O 2.8Å
339	I	98.8	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	113.4	-178.7	-58.1	172.4	0	0	0	108	F306 A321 A336 V341 F349 L353 A446 S447 V448 C449	F306-I339 HydrophobicContact CB-CG1 4.16Å; F306-I339 HydrophobicContact CD1-CG2 4.12Å; F306-I339 CarbonylContact O-C 3.14Å; F306-I339 WeakPolarHBondContact O-CA 3.32Å; A321-I339 HydrophobicContact CB-CD1 4.44Å; A336-I339 HydrophobicContact CB-CG1 4.4Å; I339-V341 HydrophobicContact CG2-CG2 3.88Å; I339-F349 HydrophobicContact CG2-CE1 3.87Å; I339-F349 HydrophobicContact CG2-CZ 4.13Å; I339-L353 HydrophobicContact CD1-CD2 4.3Å; I339-A446 HydrophobicContact CD1-CB 3.83Å; I339-S447 WeakPolarHBondContact CB-O 3.48Å; I339-S447 PolarHBondContact N-O 2.92Å; I339-V448 HydrophobicContact CB-CG2 4.28Å; I339-V448 HydrophobicContact CD1-CG2 4.44Å; I339-V448 HydrophobicContact CG2-CG1 4.36Å; I339-V448 HydrophobicContact CG2-CG2 4.38Å; I339-V448 CarbonylContact O-C 3.56Å; I339-V448 WeakPolarHBondContact O-CA 3.41Å; I339-C449 PolarHBondContact O-N 3.34Å
340	F	98.9	Very high	98.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.7	176.5	-61.5	-79	0	0	0	109.2	P305 F306 I307 V308 R338 T432 M437 C449 F451 V457 L460	P305-F340 HydrophobicContact CB-CD2 4.08Å; P305-F340 HydrophobicContact CB-CE2 3.87Å; F306-F340 PolarHBondContact O-N 3.18Å; I307-F340 CarbonylContact C-O 3.5Å; I307-F340 WeakPolarHBondContact CA-O 3.3Å; I307-F340 HydrophobicContact CG1-CB 4.33Å; I307-F340 HydrophobicContact CG1-CD2 4.23Å; V308-F340 PolarHBondContact N-O 2.92Å; R338-F340 HydrophobicContact CB-CD2 4.39Å; R338-F340 HydrophobicContact CB-CE2 3.6Å; R338-F340 HydrophobicContact CB-CZ 3.94Å; R338-F340 WeakPolarHBondContact O-CD2 3.48Å; R338-F340 PolarHBondContact O-N 2.9Å; F340-T432 HydrophobicContact CE1-CG2 4.04Å; F340-T432 HydrophobicContact CZ-CG2 4.23Å; F340-M437 HydrophobicContact CE1-CE 3.84Å; F340-M437 HydrophobicContact CZ-CE 3.83Å; F340-C449 CarbonylContact C-O 3.52Å; F340-C449 WeakPolarHBondContact CA-O 3.34Å; F340-C449 HydrophobicContact CD1-CB 3.85Å; F340-C449 HydrophobicContact CE1-CB 4.06Å; F340-F451 HydrophobicContact CB-CD1 3.78Å; F340-F451 HydrophobicContact CB-CE1 4.07Å; F340-V457 HydrophobicContact CB-CG2 3.61Å; F340-V457 HydrophobicContact CD1-CG2 4.36Å; F340-V457 HydrophobicContact CD2-CG2 4.37Å; F340-V457 HydrophobicContact CG-CG2 3.88Å; F340-L460 HydrophobicContact CE1-CB 3.89Å; F340-L460 HydrophobicContact CE1-CD1 4.34Å; F340-L460 HydrophobicContact CZ-CB 4.15Å
341	V	98.9	Very high	98.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132	-178.4	-171.6	0	0	0	0	110	V308 I339 I345 H346 F349 V448 C449 R450 F451	V308-V341 HydrophobicContact CB-CG1 4.37Å; V308-V341 HydrophobicContact CB-CG2 4.48Å; V308-V341 HydrophobicContact CG2-CG2 4.49Å; I339-V341 HydrophobicContact CG2-CG2 3.88Å; V341-I345 HydrophobicContact CG1-CD1 4.05Å; V341-I345 HydrophobicContact CG1-CG1 3.86Å; V341-H346 HydrophobicContact CG1-CB 4.38Å; V341-F349 HydrophobicContact CB-CD1 4.49Å; V341-F349 HydrophobicContact CG1-CB 3.85Å; V341-F349 HydrophobicContact CG1-CD1 4.27Å; V341-F349 HydrophobicContact CG1-CG 4.03Å; V341-F349 HydrophobicContact CG2-CD1 3.5Å; V341-F349 VanDerWaalsContact CG2-CD1 3.5Å; V341-F349 HydrophobicContact CG2-CE1 3.7Å; V341-F349 HydrophobicContact CG2-CG 4.03Å; V341-F349 HydrophobicContact CG2-CZ 4.4Å; V341-V448 HydrophobicContact CG2-CG1 3.73Å; V341-C449 PolarHBondContact N-O 2.95Å; V341-R450 WeakPolarHBondContact O-CA 3.25Å; V341-F451 WeakPolarHBondContact O-CD1 3.5Å; V341-F451 PolarHBondContact O-N 2.74Å; V341-F451 VanDerWaalsContact O-N 3.12Å
342	H	98.8	Very high	98.3	Very high	24 Å²	24	31.3 Å²	31.3	11%	0.111	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	140.3	180	-170.2	-92.8	0	0	0	111.1	V308 D310 E344 I345 H346 F451 K452	V308-H342 PolarHBondContact O-N 3.17Å; D310-H342 HydrophobicContact CB-CB 4.5Å; H342-E344 VanDerWaalsContact C-N 3.27Å; H342-E344 PolarHBondContact ND1-N 2.91Å; H342-E344 PolarHBondContact O-N 3.19Å; H342-E344 VanDerWaalsContact O-N 3.16Å; H342-I345 HydrophobicContact CB-CG1 4.23Å; H342-I345 WeakPolarHBondContact O-CG1 3.37Å; H342-I345 PolarHBondContact O-N 3.25Å; H342-H346 PolarHBondContact O-N 3.32Å; H342-F451 CarbonylContact C-O 3.55Å; H342-F451 WeakPolarHBondContact CA-O 3.31Å; H342-F451 HydrophobicContact CB-CE1 4.09Å; H342-F451 HydrophobicContact CB-CE2 4.12Å; H342-F451 HydrophobicContact CB-CZ 3.75Å; H342-F451 AromaticContact CD2-CE2 3.62Å; H342-K452 PolarHBondContact NE2-O 3.03Å; H342-K452 VanDerWaalsContact NE2-O 3.08Å
343	D	98.5	Very high	98.4	Very high	58 Å²	58	31.3 Å²	31.3	31%	0.31	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-47.5	-46	-174	-171.1	48.8	0	0	0	113	I345 H346 R450 F451 K452	D343-I345 VanDerWaalsContact C-N 3.27Å; D343-I345 PolarHBondContact O-N 2.88Å; D343-H346 PolarHBondContact O-N 3.37Å; D343-R450 HydrophobicContact CB-CG 4.34Å; D343-R450 WeakPolarHBondContact OD1-CD 3.42Å; D343-R450 IonicContact OD1-CZ 3.38Å; D343-R450 IonicContact OD1-NE 3.61Å; D343-R450 IonicContact OD1-NH1 2.55Å; D343-R450 PolarHBondContact OD1-NH1 3.01Å; D343-F451 PolarHBondContact N-O 3.36Å; D343-K452 HydrophobicContact CB-CG 4.11Å
344	E	98.5	Very high	98.5	Very high	146 Å²	146	31.3 Å²	31.3	68%	0.682	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-61.6	-28.6	-177.2	-65.8	-170.5	173.4	0	0	114.9	D310 H342	D310-E344 HydrophobicContact CB-CB 4.44Å; H342-E344 VanDerWaalsContact C-N 3.27Å; H342-E344 PolarHBondContact ND1-N 2.91Å; H342-E344 PolarHBondContact O-N 3.19Å; H342-E344 VanDerWaalsContact O-N 3.16Å
345	I	98.6	Very high	98.5	Very high	16 Å²	16	36.3 Å²	36.3	8%	0.082	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-115	-1.4	-176.6	60.1	158.2	0	0	0	113	V308 F309 I314 V341 H342 D343 D347 V348 F349	V308-I345 HydrophobicContact CB-CD1 4.43Å; V308-I345 HydrophobicContact CG1-CD1 3.68Å; F309-I345 WeakPolarHBondContact O-CD1 3.35Å; I314-I345 HydrophobicContact CD1-CB 4.09Å; I314-I345 HydrophobicContact CD1-CG2 3.96Å; I314-I345 HydrophobicContact CG1-CD1 4.44Å; V341-I345 HydrophobicContact CG1-CD1 4.05Å; V341-I345 HydrophobicContact CG1-CG1 3.86Å; H342-I345 HydrophobicContact CB-CG1 4.23Å; H342-I345 WeakPolarHBondContact O-CG1 3.37Å; H342-I345 PolarHBondContact O-N 3.25Å; D343-I345 VanDerWaalsContact C-N 3.27Å; D343-I345 PolarHBondContact O-N 2.88Å; I345-D347 PolarHBondContact O-N 3.19Å; I345-V348 PolarHBondContact O-N 3.1Å; I345-F349 WeakPolarHBondContact O-CB 3.49Å; I345-F349 PolarHBondContact O-N 3.41Å
346	H	98.7	Very high	98.5	Very high	13 Å²	13	37.8 Å²	37.8	6%	0.06	19%	0.186	C	C	.	.	H	α-helix	trans	-51.9	-55.7	-173	176.2	-81.4	0	0	0	112.6	V341 H342 D343 V348 F349 V350 R450	V341-H346 HydrophobicContact CG1-CB 4.38Å; H342-H346 PolarHBondContact O-N 3.32Å; D343-H346 PolarHBondContact O-N 3.37Å; H346-V348 VanDerWaalsContact C-N 3.32Å; H346-V348 PolarHBondContact O-N 3.46Å; H346-F349 PolarHBondContact O-N 3.28Å; H346-V350 WeakPolarHBondContact O-CB 3.32Å; H346-V350 WeakPolarHBondContact O-CG2 3.14Å; H346-V350 PolarHBondContact O-N 2.89Å; H346-R450 HydrophobicContact CB-CG 4.39Å; H346-R450 PolarHBondContact ND1-NH2 2.95Å; H346-R450 VanDerWaalsContact ND1-NH2 3.15Å
347	D	98.4	Very high	98.6	Very high	95 Å²	95	38 Å²	38	51%	0.508	19%	0.187	S	C	.	.	H	α-helix	trans	-70	-32	-172.5	-63.5	-17.7	0	0	0	112.3	I345 R351 R450	I345-D347 PolarHBondContact O-N 3.19Å; D347-R351 WeakPolarHBondContact O-CB 3.34Å; D347-R351 PolarHBondContact O-N 3.24Å; D347-R450 IonicContact OD1-CZ 3.04Å; D347-R450 IonicContact OD1-NH2 2.7Å; D347-R450 PolarHBondContact OD1-NH2 3.38Å; D347-R450 IonicContact OD2-NH2 3.2Å
348	V	98.7	Very high	98.6	Very high	49 Å²	49	40.9 Å²	40.9	30%	0.297	21%	0.207	S	C	.	.	H	α-helix	trans	-68.5	-46.4	174.1	179.1	0	0	0	0	110.4	I314 I345 H346 K352	I314-V348 HydrophobicContact CD1-CG1 4.15Å; I314-V348 HydrophobicContact CG2-CG1 4.49Å; I345-V348 PolarHBondContact O-N 3.1Å; H346-V348 VanDerWaalsContact C-N 3.32Å; H346-V348 PolarHBondContact O-N 3.46Å; V348-K352 HydrophobicContact CG1-CD 4.36Å; V348-K352 WeakPolarHBondContact O-CG 3.48Å; V348-K352 PolarHBondContact O-N 2.98Å; V348-K352 VanDerWaalsContact O-N 3.09Å
349	F	98.8	Very high	98.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-48.8	178.5	179.8	-86.7	0	0	0	111.6	V308 I314 A317 V318 A321 I339 V341 I345 H346 R351 K352 L353	V308-F349 HydrophobicContact CG1-CD2 4.3Å; V308-F349 HydrophobicContact CG1-CE2 4.39Å; V308-F349 HydrophobicContact CG2-CD2 4.43Å; V308-F349 HydrophobicContact CG2-CE2 3.86Å; V308-F349 HydrophobicContact CG2-CZ 4.14Å; I314-F349 HydrophobicContact CG2-CD2 4.48Å; A317-F349 HydrophobicContact CB-CD2 4.42Å; A317-F349 HydrophobicContact CB-CE2 3.91Å; V318-F349 HydrophobicContact CG2-CD2 3.71Å; V318-F349 HydrophobicContact CG2-CE2 3.75Å; V318-F349 HydrophobicContact CG2-CG 4.41Å; V318-F349 HydrophobicContact CG2-CZ 4.49Å; A321-F349 HydrophobicContact CB-CZ 4.01Å; I339-F349 HydrophobicContact CG2-CE1 3.87Å; I339-F349 HydrophobicContact CG2-CZ 4.13Å; V341-F349 HydrophobicContact CB-CD1 4.49Å; V341-F349 HydrophobicContact CG1-CB 3.85Å; V341-F349 HydrophobicContact CG1-CD1 4.27Å; V341-F349 HydrophobicContact CG1-CG 4.03Å; V341-F349 HydrophobicContact CG2-CD1 3.5Å; V341-F349 VanDerWaalsContact CG2-CD1 3.5Å; V341-F349 HydrophobicContact CG2-CE1 3.7Å; V341-F349 HydrophobicContact CG2-CG 4.03Å; V341-F349 HydrophobicContact CG2-CZ 4.4Å; I345-F349 WeakPolarHBondContact O-CB 3.49Å; I345-F349 PolarHBondContact O-N 3.41Å; H346-F349 PolarHBondContact O-N 3.28Å; F349-R351 VanDerWaalsContact C-N 3.33Å; F349-R351 PolarHBondContact O-N 3.05Å; F349-K352 PolarHBondContact O-N 3.44Å; F349-L353 HydrophobicContact CE1-CB 4.27Å; F349-L353 HydrophobicContact CE1-CD2 3.88Å; F349-L353 WeakPolarHBondContact O-CB 3.36Å; F349-L353 PolarHBondContact O-N 3.02Å
350	V	98.8	Very high	98.5	Very high	12 Å²	12	48.1 Å²	48.1	7%	0.073	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-43.6	-179.6	168.2	0	0	0	0	111.4	H346 L353 T354 L399 V448	H346-V350 WeakPolarHBondContact O-CB 3.32Å; H346-V350 WeakPolarHBondContact O-CG2 3.14Å; H346-V350 PolarHBondContact O-N 2.89Å; V350-L353 PolarHBondContact O-N 3.38Å; V350-T354 WeakPolarHBondContact O-CB 3.36Å; V350-T354 PolarHBondContact O-N 3.37Å; V350-T354 PolarHBondContact O-OG1 3.28Å; V350-L399 HydrophobicContact CG1-CD1 3.21Å; V350-V448 HydrophobicContact CG2-CB 4.31Å; V350-V448 HydrophobicContact CG2-CG1 3.77Å
351	R	98.7	Very high	98.4	Very high	143 Å²	143	52.1 Å²	52.1	54%	0.54	26%	0.26	S	S	.	.	H	α-helix	trans	-59.8	-50.6	175.5	-179.9	175.8	61.5	-108.5	3.2	111.5	D347 F349 T354 E355	D347-R351 WeakPolarHBondContact O-CB 3.34Å; D347-R351 PolarHBondContact O-N 3.24Å; F349-R351 VanDerWaalsContact C-N 3.33Å; F349-R351 PolarHBondContact O-N 3.05Å; R351-T354 PolarHBondContact O-N 2.5Å; R351-E355 WeakPolarHBondContact O-CB 3.4Å; R351-E355 PolarHBondContact O-N 3.01Å
352	K	98.8	Very high	98.3	Very high	62 Å²	62	52.7 Å²	52.7	27%	0.27	26%	0.263	S	S	.	.	H	α-helix	trans	-66.7	-36.4	-179.1	-71.4	-171.4	-178.9	-152	0	113	I314 E315 V318 V348 F349 A356	I314-K352 HydrophobicContact CG2-CD 4.03Å; E315-K352 IonicContact OE1-NZ 2.86Å; E315-K352 PolarHBondContact OE1-NZ 3.47Å; V318-K352 HydrophobicContact CG1-CB 4.39Å; V318-K352 HydrophobicContact CG2-CB 3.79Å; V348-K352 HydrophobicContact CG1-CD 4.36Å; V348-K352 WeakPolarHBondContact O-CG 3.48Å; V348-K352 PolarHBondContact O-N 2.98Å; V348-K352 VanDerWaalsContact O-N 3.09Å; F349-K352 PolarHBondContact O-N 3.44Å; K352-A356 VanDerWaalsContact O-CB 3.31Å; K352-A356 WeakPolarHBondContact O-CB 3.29Å; K352-A356 PolarHBondContact O-N 3.2Å
353	L	98.8	Very high	98.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-47	173.7	178.5	63.8	0	0	0	110.6	A321 V322 I339 F349 V350 E355 A356 V357 V426 A446 V448	A321-L353 HydrophobicContact CB-CD1 4.19Å; V322-L353 HydrophobicContact CG2-CD1 3.76Å; I339-L353 HydrophobicContact CD1-CD2 4.3Å; F349-L353 HydrophobicContact CE1-CB 4.27Å; F349-L353 HydrophobicContact CE1-CD2 3.88Å; F349-L353 WeakPolarHBondContact O-CB 3.36Å; F349-L353 PolarHBondContact O-N 3.02Å; V350-L353 PolarHBondContact O-N 3.38Å; L353-E355 VanDerWaalsContact C-N 3.35Å; L353-E355 PolarHBondContact O-N 3.01Å; L353-A356 PolarHBondContact O-N 3.11Å; L353-V357 HydrophobicContact CD1-CG2 4.15Å; L353-V357 HydrophobicContact CG-CG2 4.46Å; L353-V357 WeakPolarHBondContact O-CB 3.4Å; L353-V357 VanDerWaalsContact O-CG2 3.25Å; L353-V357 WeakPolarHBondContact O-CG2 3.48Å; L353-V357 PolarHBondContact O-N 3.29Å; L353-V426 HydrophobicContact CD2-CG1 4.15Å; L353-V426 HydrophobicContact CG-CG2 4.29Å; L353-A446 HydrophobicContact CD2-CB 4.37Å; L353-V448 HydrophobicContact CD2-CG2 3.86Å
354	T	98.7	Very high	98.1	Very high	26 Å²	26	50.8 Å²	50.8	16%	0.16	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-44.2	178.7	-54.8	0	0	0	0	111.2	V350 R351 V357 S358 L399 I400	V350-T354 WeakPolarHBondContact O-CB 3.36Å; V350-T354 PolarHBondContact O-N 3.37Å; V350-T354 PolarHBondContact O-OG1 3.28Å; R351-T354 PolarHBondContact O-N 2.5Å; T354-V357 PolarHBondContact O-N 3.31Å; T354-S358 PolarHBondContact O-N 3.45Å; T354-L399 HydrophobicContact CG2-CB 4.02Å; T354-I400 HydrophobicContact CG2-CB 4.12Å; T354-I400 HydrophobicContact CG2-CG2 4.05Å
355	E	98.7	Very high	98	Very high	112 Å²	112	43.8 Å²	43.8	52%	0.523	22%	0.222	S	C	.	.	H	α-helix	trans	-59.2	-51	173.9	-178.1	179	-170.4	0	0	111.5	R351 L353 V357 S358 H359	R351-E355 WeakPolarHBondContact O-CB 3.4Å; R351-E355 PolarHBondContact O-N 3.01Å; L353-E355 VanDerWaalsContact C-N 3.35Å; L353-E355 PolarHBondContact O-N 3.01Å; E355-V357 VanDerWaalsContact C-N 3.31Å; E355-V357 PolarHBondContact O-N 2.91Å; E355-S358 WeakPolarHBondContact O-CB 3.32Å; E355-S358 PolarHBondContact O-N 3.46Å; E355-S358 VanDerWaalsContact O-N 3.08Å; E355-S358 PolarHBondContact O-OG 2.97Å; E355-H359 PolarHBondContact O-CD2 3.42Å; E355-H359 VanDerWaalsContact O-CD2 3.22Å
356	A	98.6	Very high	97.9	Very high	31 Å²	31	46.1 Å²	46.1	26%	0.256	24%	0.243	S	C	.	.	H	α-helix	trans	-60.8	-38.7	179.1	0	0	0	0	0	112.8	V318 V322 K352 L353 S358 H359	V318-A356 HydrophobicContact CG1-CB 3.92Å; V322-A356 HydrophobicContact CG2-CB 3.86Å; K352-A356 VanDerWaalsContact O-CB 3.31Å; K352-A356 WeakPolarHBondContact O-CB 3.29Å; K352-A356 PolarHBondContact O-N 3.2Å; L353-A356 PolarHBondContact O-N 3.11Å; A356-S358 VanDerWaalsContact C-N 3.33Å; A356-H359 PolarHBondContact O-N 3.43Å
357	V	98.5	Very high	97.7	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-68.1	-32.7	176.1	171.5	0	0	0	0	111.7	V322 F326 L353 T354 E355 H359 L360 I400 A424 V426	V322-V357 HydrophobicContact CG2-CG2 4.36Å; F326-V357 HydrophobicContact CD2-CG2 4.15Å; F326-V357 HydrophobicContact CE1-CG1 4.2Å; F326-V357 HydrophobicContact CE1-CG2 4.37Å; F326-V357 HydrophobicContact CE2-CG2 3.36Å; F326-V357 HydrophobicContact CZ-CB 4.43Å; F326-V357 HydrophobicContact CZ-CG1 3.96Å; F326-V357 HydrophobicContact CZ-CG2 3.49Å; F326-V357 VanDerWaalsContact CZ-CG2 3.49Å; L353-V357 HydrophobicContact CD1-CG2 4.15Å; L353-V357 HydrophobicContact CG-CG2 4.46Å; L353-V357 WeakPolarHBondContact O-CB 3.4Å; L353-V357 VanDerWaalsContact O-CG2 3.25Å; L353-V357 WeakPolarHBondContact O-CG2 3.48Å; L353-V357 PolarHBondContact O-N 3.29Å; T354-V357 PolarHBondContact O-N 3.31Å; E355-V357 VanDerWaalsContact C-N 3.31Å; E355-V357 PolarHBondContact O-N 2.91Å; V357-H359 PolarHBondContact O-N 3.21Å; V357-H359 VanDerWaalsContact O-N 3.16Å; V357-L360 HydrophobicContact CG1-CD1 4.47Å; V357-L360 WeakPolarHBondContact O-CB 3.37Å; V357-L360 PolarHBondContact O-N 3.01Å; V357-I400 HydrophobicContact CG1-CG2 3.97Å; V357-A424 HydrophobicContact CG1-CB 3.76Å; V357-V426 HydrophobicContact CB-CG2 4.08Å; V357-V426 HydrophobicContact CG1-CG2 4.15Å; V357-V426 HydrophobicContact CG2-CG2 3.85Å
358	S	97.9	Very high	97.5	Very high	62 Å²	62	48.4 Å²	48.4	43%	0.434	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-19.4	177.1	81.1	0	0	0	0	114	T354 E355 A356	T354-S358 PolarHBondContact O-N 3.45Å; E355-S358 WeakPolarHBondContact O-CB 3.32Å; E355-S358 PolarHBondContact O-N 3.46Å; E355-S358 VanDerWaalsContact O-N 3.08Å; E355-S358 PolarHBondContact O-OG 2.97Å; A356-S358 VanDerWaalsContact C-N 3.33Å
359	H	97.5	Very high	97.4	Very high	121 Å²	121	50.6 Å²	50.6	56%	0.56	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.2	176.4	-62.1	-52	0	0	0	113.9	E355 A356 V357	E355-H359 PolarHBondContact O-CD2 3.42Å; E355-H359 VanDerWaalsContact O-CD2 3.22Å; A356-H359 PolarHBondContact O-N 3.43Å; V357-H359 PolarHBondContact O-N 3.21Å; V357-H359 VanDerWaalsContact O-N 3.16Å
360	L	97.4	Very high	97.3	Very high	38 Å²	38	50.9 Å²	50.9	20%	0.199	27%	0.273	C	S	.	.			trans	-80.5	126	177.6	-61.5	177.4	0	0	0	110.5	V322 F326 V357 N371 L372	V322-L360 HydrophobicContact CG1-CD1 4.26Å; V322-L360 HydrophobicContact CG1-CD2 4.32Å; F326-L360 HydrophobicContact CB-CD1 3.84Å; F326-L360 HydrophobicContact CD1-CD1 3.98Å; F326-L360 HydrophobicContact CD2-CD1 4.14Å; F326-L360 HydrophobicContact CG-CD1 3.7Å; V357-L360 HydrophobicContact CG1-CD1 4.47Å; V357-L360 WeakPolarHBondContact O-CB 3.37Å; V357-L360 PolarHBondContact O-N 3.01Å; L360-N371 HydrophobicContact CB-CB 4.48Å; L360-N371 HydrophobicContact CD2-CB 3.99Å; L360-L372 HydrophobicContact CB-CD1 4.02Å; L360-L372 HydrophobicContact CB-CG 4.43Å; L360-L372 HydrophobicContact CD1-CD1 4.06Å
361	H	96.4	Very high	97.3	Very high	83 Å²	83	53.8 Å²	53.8	38%	0.384	29%	0.288	S	S	.	.			trans	-93.7	132.3	173.7	-57.9	142.1	0	0	0	111	N369 I370 N371 L372 F412	H361-N369 PolarHBondContact ND1-O 3.32Å; H361-I370 HydrophobicContact CB-CD1 4.05Å; H361-N371 PolarHBondContact N-OD1 3.49Å; H361-N371 PolarHBondContact O-N 2.81Å; H361-L372 PolarHBondContact O-N 2.69Å; H361-F412 HydrophobicContact CB-CE2 3.77Å; H361-F412 HydrophobicContact CB-CZ 4.13Å; H361-F412 AromaticContact CG-CE2 3.72Å; H361-F412 AromaticContact CG-CZ 3.77Å; H361-F412 AromaticContact ND1-CZ 3.59Å
362	M	96.6	Very high	97.2	Very high	13 Å²	13	47.1 Å²	47.1	6%	0.064	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-110	139.9	176.4	-175.5	170	-80	0	0	110.7	L372 L406 Y416 F421 Y422 P444	M362-L372 CarbonylContact C-O 3.57Å; M362-L372 VanDerWaalsContact CA-O 3.23Å; M362-L372 WeakPolarHBondContact CA-O 3.45Å; M362-L372 HydrophobicContact CB-CB 4.07Å; M362-L372 HydrophobicContact CE-CB 3.55Å; M362-L372 HydrophobicContact CE-CD1 3.72Å; M362-L372 HydrophobicContact CE-CG 4.28Å; M362-L372 HydrophobicContact CG-CB 4.08Å; M362-L372 WeakPolarHBondContact CG-O 3.18Å; M362-L406 HydrophobicContact CG-CD1 4.36Å; M362-L406 HydrophobicContact SD-CD1 3.69Å; M362-Y416 PolarHBondContact O-OH 3.03Å; M362-F421 HydrophobicContact CG-CD1 3.75Å; M362-F421 HydrophobicContact CG-CE1 4.19Å; M362-F421 HydrophobicContact SD-CB 4.46Å; M362-F421 HydrophobicContact SD-CD1 3.93Å; M362-Y422 WeakPolarHBondContact CE-O 3.5Å; M362-P444 HydrophobicContact CE-CB 4.47Å; M362-P444 HydrophobicContact CE-CG 4.15Å
363	G	96.8	Very high	97.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	25%	0.251	C	S	.	.	S	Bend	trans	172.9	-154.1	-177.1	0	0	0	0	0	112.8	G365 L372 F421	G363-G365 PolarHBondContact O-N 3.48Å; G363-L372 PolarHBondContact N-O 3.25Å; G363-F421 WeakPolarHBondContact O-CE1 3.17Å
364	N	96.7	Very high	97.1	Very high	40 Å²	40	44.2 Å²	44.2	21%	0.214	25%	0.251	C	S	.	.			trans	-75.2	124	175.6	-175.1	-26.2	0	0	0	108.4	A71 A366 D367 I370 L414	A71-N364 HydrophobicContact CB-CB 4.41Å; N364-A366 PolarHBondContact O-N 2.66Å; N364-A366 WeakPolarHBondContact OD1-CB 3.38Å; N364-A366 PolarHBondContact OD1-N 3.3Å; N364-D367 PolarHBondContact O-N 3.39Å; N364-D367 VanDerWaalsContact O-N 3.08Å; N364-I370 WeakPolarHBondContact O-CG1 3.36Å; N364-L414 HydrophobicContact CB-CD1 4.33Å; N364-L414 HydrophobicContact CB-CD2 4.23Å
365	G	96.7	Very high	97.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-13.8	-177.4	0	0	0	0	0	115	V132 S139 G363 D367	V132-G365 VanDerWaalsContact CG1-C 3.47Å; S139-G365 WeakPolarHBondContact CB-O 3.45Å; S139-G365 PolarHBondContact N-O 3.19Å; S139-G365 PolarHBondContact OG-O 2.68Å; G363-G365 PolarHBondContact O-N 3.48Å; G365-D367 VanDerWaalsContact C-N 3.31Å
366	A	95.4	Very high	97.1	Very high	65 Å²	65	38 Å²	38	54%	0.537	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-24.7	175.5	0	0	0	0	0	113.3	V132 N364	V132-A366 HydrophobicContact CG1-CB 4Å; V132-A366 VanDerWaalsContact CG1-N 3.28Å; N364-A366 PolarHBondContact O-N 2.66Å; N364-A366 WeakPolarHBondContact OD1-CB 3.38Å; N364-A366 PolarHBondContact OD1-N 3.3Å
367	D	95.4	Very high	97	Very high	47 Å²	47	38.3 Å²	38.3	25%	0.251	22%	0.218	S	C	.	.	S	Bend	trans	-79	125.1	174.9	-176.8	-37.5	0	0	0	109.9	N364 G365 N369 I370	N364-D367 PolarHBondContact O-N 3.39Å; N364-D367 VanDerWaalsContact O-N 3.08Å; G365-D367 VanDerWaalsContact C-N 3.31Å; D367-N369 PolarHBondContact O-N 3.33Å; D367-N369 VanDerWaalsContact O-N 3.11Å; D367-N369 WeakPolarHBondContact OD1-CB 3.42Å; D367-N369 PolarHBondContact OD1-N 2.99Å; D367-N369 PolarHBondContact OD1-ND2 3.38Å; D367-I370 HydrophobicContact CB-CG1 3.8Å; D367-I370 WeakPolarHBondContact O-CB 3.4Å; D367-I370 PolarHBondContact O-N 3.48Å; D367-I370 VanDerWaalsContact O-N 3.09Å
368	P	94.5	Very high	97	Very high	109 Å²	109	41.7 Å²	41.7	71%	0.708	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.1	-176.6	27.9	-36.7	0	0	0	114.5
369	N	95.4	Very high	96.9	Very high	95 Å²	95	47.1 Å²	47.1	51%	0.508	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-5	176.8	-55.2	-69.5	0	0	0	113.2	H361 D367 F412	H361-N369 PolarHBondContact ND1-O 3.32Å; D367-N369 PolarHBondContact O-N 3.33Å; D367-N369 VanDerWaalsContact O-N 3.11Å; D367-N369 WeakPolarHBondContact OD1-CB 3.42Å; D367-N369 PolarHBondContact OD1-N 2.99Å; D367-N369 PolarHBondContact OD1-ND2 3.38Å; N369-F412 HydrophobicContact CB-CE1 3.78Å; N369-F412 HydrophobicContact CB-CZ 4.3Å
370	I	97.4	Very high	96.9	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.031	23%	0.23	C	C	.	.			trans	-88.2	124.5	-179.8	-64.1	-57.9	0	0	0	110.3	S138 H361 N364 D367 L372 F412	S138-I370 WeakPolarHBondContact CB-O 3.25Å; H361-I370 HydrophobicContact CB-CD1 4.05Å; N364-I370 WeakPolarHBondContact O-CG1 3.36Å; D367-I370 HydrophobicContact CB-CG1 3.8Å; D367-I370 WeakPolarHBondContact O-CB 3.4Å; D367-I370 PolarHBondContact O-N 3.48Å; D367-I370 VanDerWaalsContact O-N 3.09Å; I370-L372 WeakPolarHBondContact CG2-O 3.3Å; I370-F412 HydrophobicContact CD1-CB 4.46Å; I370-F412 HydrophobicContact CD1-CD1 4.48Å; I370-F412 HydrophobicContact CD1-CD2 3.66Å; I370-F412 HydrophobicContact CD1-CE2 3.98Å; I370-F412 HydrophobicContact CD1-CG 3.94Å
371	N	97.6	Very high	97	Very high	72 Å²	72	40.6 Å²	40.6	39%	0.385	22%	0.221	S	C	.	.	S	Bend	trans	-87	-35.5	175	-52.4	107.4	0	0	0	111.5	L360 H361	L360-N371 HydrophobicContact CB-CB 4.48Å; L360-N371 HydrophobicContact CD2-CB 3.99Å; H361-N371 PolarHBondContact N-OD1 3.49Å; H361-N371 PolarHBondContact O-N 2.81Å
372	L	98	Very high	97	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-123.9	124.6	-170.9	-54.9	178.5	0	0	0	111.7	F326 L360 H361 M362 G363 I370 A424	F326-L372 HydrophobicContact CB-CD2 3.87Å; F326-L372 HydrophobicContact CD1-CD1 4.24Å; F326-L372 WeakPolarHBondContact O-CD2 3.33Å; L360-L372 HydrophobicContact CB-CD1 4.02Å; L360-L372 HydrophobicContact CB-CG 4.43Å; L360-L372 HydrophobicContact CD1-CD1 4.06Å; H361-L372 PolarHBondContact O-N 2.69Å; M362-L372 CarbonylContact C-O 3.57Å; M362-L372 VanDerWaalsContact CA-O 3.23Å; M362-L372 WeakPolarHBondContact CA-O 3.45Å; M362-L372 HydrophobicContact CB-CB 4.07Å; M362-L372 HydrophobicContact CE-CB 3.55Å; M362-L372 HydrophobicContact CE-CD1 3.72Å; M362-L372 HydrophobicContact CE-CG 4.28Å; M362-L372 HydrophobicContact CG-CB 4.08Å; M362-L372 WeakPolarHBondContact CG-O 3.18Å; G363-L372 PolarHBondContact N-O 3.25Å; I370-L372 WeakPolarHBondContact CG2-O 3.3Å; L372-A424 HydrophobicContact CD1-CB 3.75Å
373	G	97.8	Very high	97.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.01	24%	0.235	C	C	.	.			trans	-80	-177.9	170	0	0	0	0	0	112.8	G136 S329	G136-G373 VanDerWaalsContact O-CA 3.3Å; G136-G373 WeakPolarHBondContact O-CA 3.48Å; S329-G373 PolarHBondContact OG-N 3.13Å; S329-G373 VanDerWaalsContact OG-N 3.16Å; S329-G373 PolarHBondContact OG-O 3.22Å
374	P	98	Very high	97.2	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	23%	0.234	C	C	.	.			trans	-64.9	171.2	166.7	35.4	-39.3	0	0	0	110.9	P70 A71 G136 Q331 Y420 F421	P70-P374 HydrophobicContact CB-CB 4.46Å; P70-P374 HydrophobicContact CB-CG 3.91Å; P70-P374 HydrophobicContact CG-CG 3.9Å; A71-P374 HydrophobicContact CB-CG 3.88Å; G136-P374 VanDerWaalsContact O-CD 3.26Å; G136-P374 WeakPolarHBondContact O-CD 3.45Å; Q331-P374 PolarHBondContact NE2-O 3.08Å; P374-Y420 CarbonylContact C-O 3.55Å; P374-Y420 VanDerWaalsContact CA-O 3.31Å; P374-Y420 WeakPolarHBondContact CA-O 3.33Å; P374-Y420 WeakPolarHBondContact CB-O 3.01Å; P374-F421 HydrophobicContact CB-CD1 3.97Å; P374-F421 HydrophobicContact CB-CD2 4.46Å; P374-F421 HydrophobicContact CB-CE1 3.67Å; P374-F421 HydrophobicContact CB-CE2 4.19Å; P374-F421 HydrophobicContact CB-CG 4.37Å; P374-F421 HydrophobicContact CB-CZ 3.78Å; P374-F421 HydrophobicContact CG-CE1 4.3Å; P374-F421 HydrophobicContact CG-CZ 4.26Å
375	V	98.4	Very high	97.2	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	24%	0.235	C	C	.	.			trans	-81.1	159	159.4	-59.4	0	0	0	0	109.7	Q331 N377 A380 L381 I384 Y420	Q331-V375 VanDerWaalsContact OE1-CA 3.23Å; V375-N377 PolarHBondContact O-N 2.97Å; V375-A380 HydrophobicContact CB-CB 4.42Å; V375-A380 HydrophobicContact CG2-CB 4.4Å; V375-L381 HydrophobicContact CG2-CB 3.79Å; V375-L381 HydrophobicContact CG2-CD1 4.07Å; V375-L381 HydrophobicContact CG2-CG 4.49Å; V375-I384 HydrophobicContact CB-CD1 4.31Å; V375-I384 HydrophobicContact CG1-CD1 3.62Å; V375-I384 HydrophobicContact CG2-CD1 4.46Å; V375-Y420 VanDerWaalsContact CG2-O 3.31Å; V375-Y420 WeakPolarHBondContact CG2-O 3.23Å; V375-Y420 PolarHBondContact N-O 2.9Å; V375-Y420 WeakPolarHBondContact O-CB 3.24Å
376	I	98.3	Very high	97.3	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.031	26%	0.262	C	S	.	.	S	Bend	trans	-63.8	-36.3	-165.3	-170.2	62	0	0	0	114.3	P70 W194 D222 T223 A380	P70-I376 WeakPolarHBondContact CB-O 3.37Å; W194-I376 HydrophobicContact CB-CG1 4.43Å; W194-I376 HydrophobicContact CD2-CB 3.98Å; W194-I376 HydrophobicContact CD2-CG1 3.81Å; W194-I376 HydrophobicContact CD2-CG2 3.85Å; W194-I376 HydrophobicContact CE3-CB 3.58Å; W194-I376 HydrophobicContact CE3-CD1 4.01Å; W194-I376 HydrophobicContact CE3-CG1 3.63Å; W194-I376 HydrophobicContact CE3-CG2 3.87Å; W194-I376 HydrophobicContact CG-CG1 4.14Å; W194-I376 HydrophobicContact CH2-CB 3.88Å; W194-I376 HydrophobicContact CH2-CG2 3.51Å; W194-I376 HydrophobicContact CZ2-CB 4.25Å; W194-I376 HydrophobicContact CZ2-CG2 3.47Å; W194-I376 VanDerWaalsContact CZ2-CG2 3.47Å; W194-I376 HydrophobicContact CZ3-CB 3.55Å; W194-I376 HydrophobicContact CZ3-CG1 4.16Å; W194-I376 HydrophobicContact CZ3-CG2 3.73Å; D222-I376 HydrophobicContact CB-CD1 3.92Å; D222-I376 HydrophobicContact CB-CG1 3.67Å; T223-I376 HydrophobicContact CG2-CD1 4.02Å; I376-A380 HydrophobicContact CG2-CB 4.05Å
377	N	97.6	Very high	97.4	Very high	36 Å²	36	46.4 Å²	46.4	19%	0.193	24%	0.237	C	C	.	.	S	Bend	trans	-159.8	171.3	-176.7	59.7	39.8	0	0	0	112.9	D222 V375 K379 A380 L381	D222-N377 PolarHBondContact OD1-ND2 3.35Å; V375-N377 PolarHBondContact O-N 2.97Å; N377-K379 VanDerWaalsContact C-N 3.25Å; N377-K379 PolarHBondContact O-N 3.31Å; N377-K379 PolarHBondContact OD1-N 3.13Å; N377-A380 WeakPolarHBondContact O-CB 3.37Å; N377-A380 PolarHBondContact O-N 3.05Å; N377-A380 VanDerWaalsContact O-N 3.11Å; N377-A380 PolarHBondContact OD1-N 3.46Å; N377-L381 PolarHBondContact O-N 2.82Å
378	E	97	Very high	97.6	Very high	75 Å²	75	44.2 Å²	44.2	35%	0.35	23%	0.225	S	C	.	.	H	α-helix	trans	-57.8	-34.4	-179.2	-178.2	54.7	-148.8	0	0	113.5	L381 T382 R405 Y420	E378-L381 PolarHBondContact O-N 2.94Å; E378-T382 WeakPolarHBondContact O-CB 3.44Å; E378-T382 PolarHBondContact O-N 2.68Å; E378-T382 PolarHBondContact O-OG1 3.11Å; E378-T382 PolarHBondContact OE1-OG1 3.42Å; E378-R405 VanDerWaalsContact CD-NH1 3.27Å; E378-R405 IonicContact OE1-CZ 2.88Å; E378-R405 IonicContact OE1-NH1 2.81Å; E378-R405 PolarHBondContact OE1-NH1 2.98Å; E378-R405 IonicContact OE1-NH2 2.95Å; E378-R405 PolarHBondContact OE1-NH2 3.44Å; E378-R405 IonicContact OE2-NH1 3.29Å; E378-R405 PolarHBondContact OE2-NH1 2.99Å; E378-R405 VanDerWaalsContact OE2-NH1 3.07Å; E378-Y420 HydrophobicContact CB-CD1 4.09Å; E378-Y420 HydrophobicContact CB-CE1 3.76Å
379	K	96.9	Very high	97.8	Very high	175 Å²	175	42 Å²	42	76%	0.761	21%	0.208	S	C	*	.	H	α-helix	trans	-66.6	-42.1	177.4	-178.6	-178.4	177.7	-179.2	0	111.2	N377 K383	N377-K379 VanDerWaalsContact C-N 3.25Å; N377-K379 PolarHBondContact O-N 3.31Å; N377-K379 PolarHBondContact OD1-N 3.13Å; K379-K383 WeakPolarHBondContact O-CB 2.91Å; K379-K383 PolarHBondContact O-N 2.93Å
380	A	97.8	Very high	97.9	Very high	18 Å²	18	40.1 Å²	40.1	15%	0.149	20%	0.197	C	C	.	.	H	α-helix	trans	-63.7	-45.1	173.8	0	0	0	0	0	110.9	V375 I376 N377 T382 K383 I384	V375-A380 HydrophobicContact CB-CB 4.42Å; V375-A380 HydrophobicContact CG2-CB 4.4Å; I376-A380 HydrophobicContact CG2-CB 4.05Å; N377-A380 WeakPolarHBondContact O-CB 3.37Å; N377-A380 PolarHBondContact O-N 3.05Å; N377-A380 VanDerWaalsContact O-N 3.11Å; N377-A380 PolarHBondContact OD1-N 3.46Å; A380-T382 PolarHBondContact O-N 3.09Å; A380-K383 PolarHBondContact O-N 3.2Å; A380-I384 WeakPolarHBondContact O-CD1 3.46Å; A380-I384 VanDerWaalsContact O-CG1 3.3Å; A380-I384 WeakPolarHBondContact O-CG1 3.2Å; A380-I384 PolarHBondContact O-N 2.82Å
381	L	97.6	Very high	97.9	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-49.2	178.2	-174.7	57.3	0	0	0	112.3	V375 N377 E378 K383 I384 E385 R405 Y420 Y422	V375-L381 HydrophobicContact CG2-CB 3.79Å; V375-L381 HydrophobicContact CG2-CD1 4.07Å; V375-L381 HydrophobicContact CG2-CG 4.49Å; N377-L381 PolarHBondContact O-N 2.82Å; E378-L381 PolarHBondContact O-N 2.94Å; L381-K383 VanDerWaalsContact C-N 3.33Å; L381-K383 PolarHBondContact O-N 3.2Å; L381-I384 PolarHBondContact O-N 3.44Å; L381-E385 PolarHBondContact O-N 3.31Å; L381-R405 HydrophobicContact CD1-CG 4.29Å; L381-R405 HydrophobicContact CD2-CG 4.3Å; L381-R405 HydrophobicContact CG-CG 4.33Å; L381-Y420 HydrophobicContact CD2-CD1 4.49Å; L381-Y422 HydrophobicContact CD1-CD2 3.82Å; L381-Y422 HydrophobicContact CD1-CG 4.21Å
382	T	98.1	Very high	98	Very high	64 Å²	64	39.3 Å²	39.3	39%	0.393	20%	0.195	S	C	.	.	H	α-helix	trans	-62.4	-39.1	177.8	-60.7	0	0	0	0	112	E378 A380 K386 R405	E378-T382 WeakPolarHBondContact O-CB 3.44Å; E378-T382 PolarHBondContact O-N 2.68Å; E378-T382 PolarHBondContact O-OG1 3.11Å; E378-T382 PolarHBondContact OE1-OG1 3.42Å; A380-T382 PolarHBondContact O-N 3.09Å; T382-K386 WeakPolarHBondContact O-CB 3.32Å; T382-K386 PolarHBondContact O-N 3.13Å; T382-R405 PolarHBondContact OG1-NH2 3.24Å
383	K	97.8	Very high	97.9	Very high	78 Å²	78	46.2 Å²	46.2	34%	0.339	23%	0.227	S	C	.	.	H	α-helix	trans	-62.1	-46.5	176	-179.5	-173.2	169.6	-165.6	0	111.1	K379 A380 L381 K386 L387 E440	K379-K383 WeakPolarHBondContact O-CB 2.91Å; K379-K383 PolarHBondContact O-N 2.93Å; A380-K383 PolarHBondContact O-N 3.2Å; L381-K383 VanDerWaalsContact C-N 3.33Å; L381-K383 PolarHBondContact O-N 3.2Å; K383-K386 PolarHBondContact O-N 2.96Å; K383-L387 HydrophobicContact CG-CD1 4.08Å; K383-L387 HydrophobicContact CG-CG 4.48Å; K383-L387 WeakPolarHBondContact O-CG 3.3Å; K383-L387 PolarHBondContact O-N 3.28Å; K383-E440 WeakPolarHBondContact CE-O 3.45Å; K383-E440 PolarHBondContact NZ-O 3.36Å
384	I	98.4	Very high	97.9	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-62.1	-49.4	-179.4	-65.9	159.4	0	0	0	110.2	V375 A380 L381 K386 L387 V388 Y422 V441 V445	V375-I384 HydrophobicContact CB-CD1 4.31Å; V375-I384 HydrophobicContact CG1-CD1 3.62Å; V375-I384 HydrophobicContact CG2-CD1 4.46Å; A380-I384 WeakPolarHBondContact O-CD1 3.46Å; A380-I384 VanDerWaalsContact O-CG1 3.3Å; A380-I384 WeakPolarHBondContact O-CG1 3.2Å; A380-I384 PolarHBondContact O-N 2.82Å; L381-I384 PolarHBondContact O-N 3.44Å; I384-K386 VanDerWaalsContact C-N 3.32Å; I384-K386 PolarHBondContact O-N 3.45Å; I384-L387 PolarHBondContact O-N 2.99Å; I384-V388 HydrophobicContact CG2-CG2 4.39Å; I384-V388 WeakPolarHBondContact O-CG2 3.45Å; I384-V388 PolarHBondContact O-N 2.92Å; I384-Y422 HydrophobicContact CB-CD2 4.47Å; I384-Y422 HydrophobicContact CB-CG 4.41Å; I384-Y422 HydrophobicContact CG2-CD1 3.42Å; I384-Y422 VanDerWaalsContact CG2-CD1 3.42Å; I384-Y422 HydrophobicContact CG2-CD2 3.93Å; I384-Y422 HydrophobicContact CG2-CE1 3.57Å; I384-Y422 HydrophobicContact CG2-CE2 4.06Å; I384-Y422 HydrophobicContact CG2-CG 3.61Å; I384-V441 HydrophobicContact CB-CG1 4.41Å; I384-V441 HydrophobicContact CG1-CG1 4.02Å; I384-V441 HydrophobicContact CG2-CG1 4.09Å; I384-V445 HydrophobicContact CG2-CG2 3.8Å
385	E	97.8	Very high	97.9	Very high	48 Å²	48	53 Å²	53	22%	0.224	27%	0.266	C	S	.	.	H	α-helix	trans	-55.2	-46.8	176.9	-179	169.6	-141.6	0	0	111.6	L381 L387 V388 N389 R405 Y422	L381-E385 PolarHBondContact O-N 3.31Å; E385-L387 PolarHBondContact O-N 3.24Å; E385-V388 PolarHBondContact O-N 3.38Å; E385-N389 WeakPolarHBondContact O-CB 3.43Å; E385-N389 PolarHBondContact O-N 2.78Å; E385-N389 PolarHBondContact O-ND2 2.87Å; E385-R405 IonicContact OE1-NE 3.4Å; E385-R405 IonicContact OE2-CZ 2.74Å; E385-R405 IonicContact OE2-NE 2.98Å; E385-R405 PolarHBondContact OE2-NE 3.18Å; E385-R405 IonicContact OE2-NH2 3.63Å; E385-R405 PolarHBondContact OE2-NH2 3.32Å; E385-Y422 HydrophobicContact CB-CE2 3.95Å
386	K	98.1	Very high	97.9	Very high	130 Å²	130	53 Å²	53	57%	0.565	27%	0.266	S	S	*	.	H	α-helix	trans	-58.1	-50.7	175.9	179.9	-174.1	174	-170.6	0	112.3	T382 K383 I384 V388 N389 L390	T382-K386 WeakPolarHBondContact O-CB 3.32Å; T382-K386 PolarHBondContact O-N 3.13Å; K383-K386 PolarHBondContact O-N 2.96Å; I384-K386 VanDerWaalsContact C-N 3.32Å; I384-K386 PolarHBondContact O-N 3.45Å; K386-V388 VanDerWaalsContact C-N 3.32Å; K386-V388 PolarHBondContact O-N 3.07Å; K386-N389 PolarHBondContact O-N 3.48Å; K386-L390 HydrophobicContact CG-CD1 3.94Å; K386-L390 HydrophobicContact CG-CG 4.48Å; K386-L390 WeakPolarHBondContact O-CB 3.38Å; K386-L390 VanDerWaalsContact O-CG 3.3Å; K386-L390 WeakPolarHBondContact O-CG 3.45Å; K386-L390 PolarHBondContact O-N 2.88Å
387	L	98.3	Very high	97.9	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-36.2	-176.3	-68.1	176.1	0	0	0	112	K383 I384 E385 S391 A435 E439 V441	K383-L387 HydrophobicContact CG-CD1 4.08Å; K383-L387 HydrophobicContact CG-CG 4.48Å; K383-L387 WeakPolarHBondContact O-CG 3.3Å; K383-L387 PolarHBondContact O-N 3.28Å; I384-L387 PolarHBondContact O-N 2.99Å; E385-L387 PolarHBondContact O-N 3.24Å; L387-S391 WeakPolarHBondContact O-CB 3.29Å; L387-S391 PolarHBondContact O-N 2.92Å; L387-S391 VanDerWaalsContact O-N 3.13Å; L387-S391 PolarHBondContact O-OG 3.44Å; L387-A435 HydrophobicContact CD2-CB 3.81Å; L387-E439 HydrophobicContact CD1-CB 4.35Å; L387-E439 HydrophobicContact CD2-CB 4.24Å; L387-V441 HydrophobicContact CD1-CB 4.34Å; L387-V441 HydrophobicContact CD1-CG2 4.12Å
388	V	98.5	Very high	98	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-68.5	-49.7	175.9	173.1	0	0	0	0	111	I384 E385 K386 L390 S391 V392 G402 Y422 L427 V445	I384-V388 HydrophobicContact CG2-CG2 4.39Å; I384-V388 WeakPolarHBondContact O-CG2 3.45Å; I384-V388 PolarHBondContact O-N 2.92Å; E385-V388 PolarHBondContact O-N 3.38Å; K386-V388 VanDerWaalsContact C-N 3.32Å; K386-V388 PolarHBondContact O-N 3.07Å; V388-L390 PolarHBondContact O-N 3.16Å; V388-S391 PolarHBondContact O-N 3.19Å; V388-V392 HydrophobicContact CG1-CG2 4.39Å; V388-V392 WeakPolarHBondContact O-CG2 3.28Å; V388-V392 PolarHBondContact O-N 3.12Å; V388-G402 WeakPolarHBondContact CG1-O 3.18Å; V388-Y422 VanDerWaalsContact CB-OH 3.25Å; V388-Y422 WeakPolarHBondContact CB-OH 3.35Å; V388-Y422 VanDerWaalsContact CG1-OH 3.31Å; V388-Y422 WeakPolarHBondContact CG1-OH 3.14Å; V388-Y422 HydrophobicContact CG2-CE1 4.06Å; V388-Y422 WeakPolarHBondContact CG2-OH 3.15Å; V388-L427 HydrophobicContact CG1-CD1 4.5Å; V388-L427 HydrophobicContact CG1-CD2 4.26Å; V388-L427 HydrophobicContact CG2-CD1 4.49Å; V388-V445 HydrophobicContact CG2-CG1 3.97Å; V388-V445 HydrophobicContact CG2-CG2 3.75Å
389	N	98.2	Very high	98	Very high	64 Å²	64	57.2 Å²	57.2	34%	0.342	29%	0.29	S	S	.	.	H	α-helix	trans	-58.3	-47.6	179.8	-70.3	-13.1	0	0	0	111.5	E385 K386 S391 V392 E393	E385-N389 WeakPolarHBondContact O-CB 3.43Å; E385-N389 PolarHBondContact O-N 2.78Å; E385-N389 PolarHBondContact O-ND2 2.87Å; K386-N389 PolarHBondContact O-N 3.48Å; N389-S391 VanDerWaalsContact C-N 3.27Å; N389-S391 PolarHBondContact O-N 3.37Å; N389-V392 PolarHBondContact O-N 3.11Å; N389-E393 VanDerWaalsContact O-CG 3.32Å; N389-E393 WeakPolarHBondContact O-CG 3.43Å; N389-E393 PolarHBondContact O-N 3.48Å
390	L	98.2	Very high	98.1	Very high	55 Å²	55	51.1 Å²	51.1	29%	0.288	27%	0.265	S	S	.	.	H	α-helix	trans	-57.7	-41	175.1	-72.8	173	0	0	0	111.6	K386 V388 E393 H394 A435	K386-L390 HydrophobicContact CG-CD1 3.94Å; K386-L390 HydrophobicContact CG-CG 4.48Å; K386-L390 WeakPolarHBondContact O-CB 3.38Å; K386-L390 VanDerWaalsContact O-CG 3.3Å; K386-L390 WeakPolarHBondContact O-CG 3.45Å; K386-L390 PolarHBondContact O-N 2.88Å; V388-L390 PolarHBondContact O-N 3.16Å; L390-E393 PolarHBondContact O-N 2.79Å; L390-H394 PolarHBondContact O-N 2.83Å; L390-H394 VanDerWaalsContact O-N 3.13Å; L390-H394 PolarHBondContact O-ND1 3.13Å; L390-A435 HydrophobicContact CB-CB 4.07Å; L390-A435 HydrophobicContact CD1-CB 4.36Å
391	S	98.4	Very high	98	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.7	-38.1	-179.6	-55.6	0	0	0	0	112.2	L387 V388 N389 H394 G395 A396 C436	L387-S391 WeakPolarHBondContact O-CB 3.29Å; L387-S391 PolarHBondContact O-N 2.92Å; L387-S391 VanDerWaalsContact O-N 3.13Å; L387-S391 PolarHBondContact O-OG 3.44Å; V388-S391 PolarHBondContact O-N 3.19Å; N389-S391 VanDerWaalsContact C-N 3.27Å; N389-S391 PolarHBondContact O-N 3.37Å; S391-H394 CarbonylContact O-C 3.42Å; S391-H394 PolarHBondContact O-N 3.07Å; S391-G395 PolarHBondContact O-N 2.89Å; S391-A396 WeakPolarHBondContact O-CB 3.49Å; S391-A396 PolarHBondContact O-N 3.37Å; S391-C436 WeakPolarHBondContact OG-CB 2.88Å; S391-C436 PolarHBondContact OG-N 3.45Å; S391-C436 PolarHBondContact OG-SG 3.45Å
392	V	98.2	Very high	97.8	Very high	61 Å²	61	51.1 Å²	51.1	37%	0.37	27%	0.268	S	S	.	.	H	α-helix	trans	-66.7	-42.5	175.3	173.4	0	0	0	0	111.3	V388 N389 H394 G395 A396 L427	V388-V392 HydrophobicContact CG1-CG2 4.39Å; V388-V392 WeakPolarHBondContact O-CG2 3.28Å; V388-V392 PolarHBondContact O-N 3.12Å; N389-V392 PolarHBondContact O-N 3.11Å; V392-H394 PolarHBondContact O-N 3.32Å; V392-G395 PolarHBondContact O-N 2.89Å; V392-A396 WeakPolarHBondContact CA-O 3.37Å; V392-L427 HydrophobicContact CG2-CD2 4.34Å
393	E	97.5	Very high	97.5	Very high	147 Å²	147	55.1 Å²	55.1	69%	0.687	28%	0.282	S	S	*	.	H	α-helix	trans	-58.2	-30.4	173.4	-72.5	168.3	-170.9	0	0	112.4	N389 L390 G395	N389-E393 VanDerWaalsContact O-CG 3.32Å; N389-E393 WeakPolarHBondContact O-CG 3.43Å; N389-E393 PolarHBondContact O-N 3.48Å; L390-E393 PolarHBondContact O-N 2.79Å; E393-G395 VanDerWaalsContact C-N 3.32Å
394	H	97.9	Very high	97.2	Very high	116 Å²	116	54.8 Å²	54.8	54%	0.537	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	9.3	176.4	-69.7	74	0	0	0	113.7	L390 S391 V392 M434	L390-H394 PolarHBondContact O-N 2.83Å; L390-H394 VanDerWaalsContact O-N 3.13Å; L390-H394 PolarHBondContact O-ND1 3.13Å; S391-H394 CarbonylContact O-C 3.42Å; S391-H394 PolarHBondContact O-N 3.07Å; V392-H394 PolarHBondContact O-N 3.32Å; H394-M434 HydrophobicContact CB-CG 4.31Å; H394-M434 VanDerWaalsContact O-CE 3.3Å; H394-M434 WeakPolarHBondContact O-CE 3.28Å
395	G	97.9	Very high	97	Very high	28 Å²	28	57.5 Å²	57.5	29%	0.289	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.9	5.2	171.7	0	0	0	0	0	115.8	S391 V392 E393 N429	S391-G395 PolarHBondContact O-N 2.89Å; V392-G395 PolarHBondContact O-N 2.89Å; E393-G395 VanDerWaalsContact C-N 3.32Å; G395-N429 PolarHBondContact O-ND2 2.83Å
396	A	98.3	Very high	96.9	Very high	2 Å²	2	57.6 Å²	57.6	2%	0.017	30%	0.301	C	S	.	.			trans	-67.3	145.9	168.9	0	0	0	0	0	110.7	S391 V392 L427 S428 M434	S391-A396 WeakPolarHBondContact O-CB 3.49Å; S391-A396 PolarHBondContact O-N 3.37Å; V392-A396 WeakPolarHBondContact CA-O 3.37Å; A396-L427 HydrophobicContact CB-CB 4.48Å; A396-S428 WeakPolarHBondContact CA-O 3.42Å; A396-M434 HydrophobicContact CB-CE 4.35Å; A396-M434 HydrophobicContact CB-SD 3.78Å
397	H	98.3	Very high	96.6	Very high	109 Å²	109	59.2 Å²	59.2	51%	0.505	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.9	175.5	-60.4	163.9	0	0	0	110.5	L399 L427 S428	H397-L399 HydrophobicContact CB-CD2 4.46Å; H397-L399 PolarHBondContact O-N 2.7Å; H397-L427 WeakPolarHBondContact O-CA 3.31Å; H397-S428 PolarHBondContact N-O 2.96Å; H397-S428 PolarHBondContact O-N 3.47Å; H397-S428 PolarHBondContact O-OG 2.99Å
398	A	98.3	Very high	96.4	Very high	21 Å²	21	60.4 Å²	60.4	17%	0.174	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	108	169.7	0	0	0	0	0	110	L427	A398-L427 HydrophobicContact CB-CD2 3.87Å
399	L	98.2	Very high	96.1	Very high	76 Å²	76	68.8 Å²	68.8	40%	0.398	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-28.5	-178.2	-60.1	-178.5	0	0	0	112.8	V350 T354 H397 V426 S428	V350-L399 HydrophobicContact CG1-CD1 3.21Å; T354-L399 HydrophobicContact CG2-CB 4.02Å; H397-L399 HydrophobicContact CB-CD2 4.46Å; H397-L399 PolarHBondContact O-N 2.7Å; L399-V426 HydrophobicContact CD1-CG1 4.38Å; L399-V426 PolarHBondContact N-O 3.03Å; L399-S428 WeakPolarHBondContact CG-OG 3.43Å
400	I	98	Very high	95.7	Very high	47 Å²	47	66.5 Å²	66.5	24%	0.241	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	144.9	172.6	-171.6	168.4	0	0	0	107.3	T354 V357 T425 V426	T354-I400 HydrophobicContact CG2-CB 4.12Å; T354-I400 HydrophobicContact CG2-CG2 4.05Å; V357-I400 HydrophobicContact CG1-CG2 3.97Å; I400-T425 VanDerWaalsContact O-CA 3.26Å; I400-T425 WeakPolarHBondContact O-CA 3.36Å; I400-V426 HydrophobicContact CG2-CB 3.9Å; I400-V426 HydrophobicContact CG2-CG2 3.75Å; I400-V426 PolarHBondContact O-N 3.05Å
401	G	97	Very high	95.2	Very high	20 Å²	20	69 Å²	69	21%	0.206	37%	0.369	C	S	.	.	S	Bend	trans	63.7	-152.2	-176.8	0	0	0	0	0	112.6	H403	G401-H403 PolarHBondContact O-CD2 3.16Å; G401-H403 PolarHBondContact O-N 2.98Å
402	G	93.5	Very high	94.7	Very high	2 Å²	2	72.3 Å²	72.3	2%	0.021	38%	0.383	C	S	.	.			trans	71.5	-3.9	168.1	0	0	0	0	0	118.3	V388 T425	V388-G402 WeakPolarHBondContact CG1-O 3.18Å; G402-T425 WeakPolarHBondContact CA-OG1 3.23Å; G402-T425 PolarHBondContact N-OG1 2.93Å
403	H	90.8	Very high	94.2	Very high	149 Å²	149	72.4 Å²	72.4	69%	0.69	40%	0.397	S	S	*	.	S	Bend	trans	-94.5	-36.3	-178.1	-60.5	-59.9	0	0	0	114.4	G401	G401-H403 PolarHBondContact O-CD2 3.16Å; G401-H403 PolarHBondContact O-N 2.98Å
404	S	92.1	Very high	94	Very high	71 Å²	71	66.7 Å²	66.7	50%	0.497	37%	0.371	S	S	.	.	S	Bend	trans	-162	163.9	179.9	66.4	0	0	0	0	110.8	P423	S404-P423 WeakPolarHBondContact O-CD 3.41Å; S404-P423 WeakPolarHBondContact O-CG 3.2Å
405	R	94.4	Very high	93.9	Very high	58 Å²	58	63.5 Å²	63.5	22%	0.219	36%	0.358	C	S	.	.			trans	-54.4	149.4	166.1	-57.5	175.2	-176.9	-153.1	-0	111	E378 L381 T382 E385	E378-R405 VanDerWaalsContact CD-NH1 3.27Å; E378-R405 IonicContact OE1-CZ 2.88Å; E378-R405 IonicContact OE1-NH1 2.81Å; E378-R405 PolarHBondContact OE1-NH1 2.98Å; E378-R405 IonicContact OE1-NH2 2.95Å; E378-R405 PolarHBondContact OE1-NH2 3.44Å; E378-R405 IonicContact OE2-NH1 3.29Å; E378-R405 PolarHBondContact OE2-NH1 2.99Å; E378-R405 VanDerWaalsContact OE2-NH1 3.07Å; L381-R405 HydrophobicContact CD1-CG 4.29Å; L381-R405 HydrophobicContact CD2-CG 4.3Å; L381-R405 HydrophobicContact CG-CG 4.33Å; T382-R405 PolarHBondContact OG1-NH2 3.24Å; E385-R405 IonicContact OE1-NE 3.4Å; E385-R405 IonicContact OE2-CZ 2.74Å; E385-R405 IonicContact OE2-NE 2.98Å; E385-R405 PolarHBondContact OE2-NE 3.18Å; E385-R405 IonicContact OE2-NH2 3.63Å; E385-R405 PolarHBondContact OE2-NH2 3.32Å
406	L	94.1	Very high	93.8	Very high	49 Å²	49	63.5 Å²	63.5	26%	0.257	35%	0.349	S	S	.	.			trans	-71.3	136.9	170.1	-68.4	176.5	0	0	0	109.4	M362 Y416 F421 P423	M362-L406 HydrophobicContact CG-CD1 4.36Å; M362-L406 HydrophobicContact SD-CD1 3.69Å; L406-Y416 HydrophobicContact CB-CD1 4.29Å; L406-Y416 HydrophobicContact CB-CD2 3.81Å; L406-Y416 HydrophobicContact CB-CE2 4.31Å; L406-Y416 HydrophobicContact CB-CG 3.79Å; L406-Y416 HydrophobicContact CD1-CD1 4.4Å; L406-Y416 HydrophobicContact CD1-CD2 4.46Å; L406-Y416 HydrophobicContact CD1-CE1 4.12Å; L406-Y416 HydrophobicContact CD1-CE2 4.17Å; L406-F421 HydrophobicContact CB-CB 3.93Å; L406-F421 HydrophobicContact CD1-CB 4.24Å; L406-F421 PolarHBondContact N-O 3.4Å; L406-F421 VanDerWaalsContact N-O 3.16Å; L406-P423 HydrophobicContact CD1-CB 4.39Å; L406-P423 HydrophobicContact CD2-CB 4.06Å; L406-P423 HydrophobicContact CG-CB 4.09Å
407	K	93	Very high	93.6	Very high	165 Å²	165	66.9 Å²	66.9	72%	0.717	37%	0.373	S	S	*	.			trans	-139.3	156.4	179.8	-65.4	-174.7	-179.7	-179.5	0	110.1
408	G	93.1	Very high	93.4	Very high	28 Å²	28	66.3 Å²	66.3	29%	0.289	37%	0.373	S	S	.	.	S	Bend	trans	73.8	-170.4	178.4	0	0	0	0	0	114.1	D415 Y416 S417	G408-D415 WeakPolarHBondContact CA-OD1 3.3Å; G408-Y416 WeakPolarHBondContact O-CD2 2.96Å; G408-Y416 PolarHBondContact O-N 3.45Å; G408-S417 PolarHBondContact N-OG 2.68Å; G408-S417 VanDerWaalsContact N-OG 3.09Å
409	K	92.6	Very high	93.4	Very high	177 Å²	177	65.9 Å²	65.9	77%	0.77	37%	0.371	S	S	*	.	B	Isolated β-bridge	trans	-78.6	127	-173.4	-66.9	-174.6	178	-177	0	112.4	L414 D415	K409-L414 CarbonylContact C-O 3.55Å; K409-L414 WeakPolarHBondContact CA-O 3.33Å; K409-D415 HydrophobicContact CG-CB 4.49Å
410	S	90.6	Very high	93.3	Very high	15 Å²	15	65.3 Å²	65.3	11%	0.105	36%	0.364	C	S	.	.			trans	-71.9	165.2	169.7	69.1	0	0	0	0	112.4	F412 G413 L414 Y416	S410-F412 PolarHBondContact O-N 2.98Å; S410-F412 VanDerWaalsContact O-N 3.17Å; S410-F412 PolarHBondContact OG-N 3.26Å; S410-G413 PolarHBondContact O-N 3.4Å; S410-G413 VanDerWaalsContact O-N 3.13Å; S410-G413 PolarHBondContact OG-N 2.82Å; S410-L414 WeakPolarHBondContact CB-O 3Å; S410-L414 PolarHBondContact N-O 2.94Å; S410-L414 PolarHBondContact OG-N 3.31Å; S410-L414 VanDerWaalsContact OG-N 3.08Å; S410-L414 PolarHBondContact OG-O 2.81Å; S410-Y416 VanDerWaalsContact CB-CE2 3.45Å; S410-Y416 VanDerWaalsContact CB-CZ 3.4Å; S410-Y416 WeakPolarHBondContact CB-OH 3.34Å
411	S	86.9	Confident	93.3	Very high	109 Å²	109	63.1 Å²	63.1	76%	0.762	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.5	171.3	52.6	0	0	0	0	113.9
412	F	88.7	Confident	93.4	Very high	69 Å²	69	62.2 Å²	62.2	30%	0.303	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	11.6	178.9	-61	-84.7	0	0	0	112.7	H361 N369 I370 S410 L414	H361-F412 HydrophobicContact CB-CE2 3.77Å; H361-F412 HydrophobicContact CB-CZ 4.13Å; H361-F412 AromaticContact CG-CE2 3.72Å; H361-F412 AromaticContact CG-CZ 3.77Å; H361-F412 AromaticContact ND1-CZ 3.59Å; N369-F412 HydrophobicContact CB-CE1 3.78Å; N369-F412 HydrophobicContact CB-CZ 4.3Å; I370-F412 HydrophobicContact CD1-CB 4.46Å; I370-F412 HydrophobicContact CD1-CD1 4.48Å; I370-F412 HydrophobicContact CD1-CD2 3.66Å; I370-F412 HydrophobicContact CD1-CE2 3.98Å; I370-F412 HydrophobicContact CD1-CG 3.94Å; S410-F412 PolarHBondContact O-N 2.98Å; S410-F412 VanDerWaalsContact O-N 3.17Å; S410-F412 PolarHBondContact OG-N 3.26Å; F412-L414 VanDerWaalsContact C-N 3.3Å; F412-L414 PolarHBondContact O-N 3.13Å
413	G	87.9	Confident	93.5	Very high	63 Å²	63	63 Å²	63	65%	0.649	35%	0.347	S	S	*	.	S	Bend	trans	83.2	-6.5	173.7	0	0	0	0	0	115.8	S410	S410-G413 PolarHBondContact O-N 3.4Å; S410-G413 VanDerWaalsContact O-N 3.13Å; S410-G413 PolarHBondContact OG-N 2.82Å
414	L	92.9	Very high	93.9	Very high	27 Å²	27	56.6 Å²	56.6	14%	0.141	32%	0.321	C	S	.	.			trans	-72.3	136.6	171.1	-176.6	72.8	0	0	0	110.8	T72 N364 K409 S410 F412 Y416 F421	T72-L414 HydrophobicContact CG2-CD1 4.07Å; N364-L414 HydrophobicContact CB-CD1 4.33Å; N364-L414 HydrophobicContact CB-CD2 4.23Å; K409-L414 CarbonylContact C-O 3.55Å; K409-L414 WeakPolarHBondContact CA-O 3.33Å; S410-L414 WeakPolarHBondContact CB-O 3Å; S410-L414 PolarHBondContact N-O 2.94Å; S410-L414 PolarHBondContact OG-N 3.31Å; S410-L414 VanDerWaalsContact OG-N 3.08Å; S410-L414 PolarHBondContact OG-O 2.81Å; F412-L414 VanDerWaalsContact C-N 3.3Å; F412-L414 PolarHBondContact O-N 3.13Å; L414-Y416 HydrophobicContact CD2-CD1 4.27Å; L414-Y416 HydrophobicContact CD2-CE1 4.4Å; L414-F421 HydrophobicContact CD2-CE1 4.2Å; L414-F421 HydrophobicContact CD2-CE2 3.73Å; L414-F421 HydrophobicContact CD2-CZ 3.38Å
415	D	95.3	Very high	94.2	Very high	49 Å²	49	53.2 Å²	53.2	26%	0.262	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-88.7	110.6	166	-170.2	-14.1	0	0	0	110.1	G408 K409 S417 N418	G408-D415 WeakPolarHBondContact CA-OD1 3.3Å; K409-D415 HydrophobicContact CG-CB 4.49Å; D415-S417 PolarHBondContact O-N 2.88Å; D415-S417 VanDerWaalsContact O-N 3.12Å; D415-S417 WeakPolarHBondContact OD1-CB 3.44Å; D415-S417 PolarHBondContact OD1-N 3.07Å; D415-S417 PolarHBondContact OD1-OG 2.81Å; D415-N418 PolarHBondContact O-N 3.28Å
416	Y	96.1	Very high	94.4	Very high	28 Å²	28	50.5 Å²	50.5	11%	0.11	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-61.7	-19.6	179.4	-66	-57.6	0	0	0	113	M362 L406 G408 S410 L414 N418 G419 F421	M362-Y416 PolarHBondContact O-OH 3.03Å; L406-Y416 HydrophobicContact CB-CD1 4.29Å; L406-Y416 HydrophobicContact CB-CD2 3.81Å; L406-Y416 HydrophobicContact CB-CE2 4.31Å; L406-Y416 HydrophobicContact CB-CG 3.79Å; L406-Y416 HydrophobicContact CD1-CD1 4.4Å; L406-Y416 HydrophobicContact CD1-CD2 4.46Å; L406-Y416 HydrophobicContact CD1-CE1 4.12Å; L406-Y416 HydrophobicContact CD1-CE2 4.17Å; G408-Y416 WeakPolarHBondContact O-CD2 2.96Å; G408-Y416 PolarHBondContact O-N 3.45Å; S410-Y416 VanDerWaalsContact CB-CE2 3.45Å; S410-Y416 VanDerWaalsContact CB-CZ 3.4Å; S410-Y416 WeakPolarHBondContact CB-OH 3.34Å; L414-Y416 HydrophobicContact CD2-CD1 4.27Å; L414-Y416 HydrophobicContact CD2-CE1 4.4Å; Y416-N418 PolarHBondContact O-N 2.92Å; Y416-G419 PolarHBondContact O-N 2.91Å; Y416-F421 HydrophobicContact CD1-CB 3.93Å; Y416-F421 AromaticContact CD1-CD1 3.81Å; Y416-F421 HydrophobicContact CD1-CD1 3.81Å; Y416-F421 AromaticContact CD1-CD2 3.6Å; Y416-F421 HydrophobicContact CD1-CD2 3.6Å; Y416-F421 HydrophobicContact CD1-CE1 4.18Å; Y416-F421 AromaticContact CD1-CE2 3.98Å; Y416-F421 HydrophobicContact CD1-CE2 3.98Å; Y416-F421 AromaticContact CD1-CG 3.49Å; Y416-F421 HydrophobicContact CD1-CG 3.49Å; Y416-F421 VanDerWaalsContact CD1-CG 3.49Å; Y416-F421 HydrophobicContact CD1-CZ 4.26Å; Y416-F421 HydrophobicContact CE1-CD1 4Å; Y416-F421 HydrophobicContact CE1-CE1 4.26Å; Y416-F421 HydrophobicContact CE1-CG 4.15Å; Y416-F421 HydrophobicContact CG-CB 4.45Å; Y416-F421 HydrophobicContact CG-CD2 4.34Å; Y416-F421 HydrophobicContact CG-CG 4.36Å
417	S	94.7	Very high	94.6	Very high	73 Å²	73	48.1 Å²	48.1	51%	0.51	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-66.8	-16.8	-179.1	-39.9	0	0	0	0	113.2	G408 D415	G408-S417 PolarHBondContact N-OG 2.68Å; G408-S417 VanDerWaalsContact N-OG 3.09Å; D415-S417 PolarHBondContact O-N 2.88Å; D415-S417 VanDerWaalsContact O-N 3.12Å; D415-S417 WeakPolarHBondContact OD1-CB 3.44Å; D415-S417 PolarHBondContact OD1-N 3.07Å; D415-S417 PolarHBondContact OD1-OG 2.81Å
418	N	94.4	Very high	94.9	Very high	97 Å²	97	40.9 Å²	40.9	52%	0.519	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-96.9	-0.4	-178.9	-64.3	-23.8	0	0	0	113.8	T72 G73 D415 Y416	T72-N418 CarbonylContact C-O 3.38Å; G73-N418 PolarHBondContact N-O 3.18Å; D415-N418 PolarHBondContact O-N 3.28Å; Y416-N418 PolarHBondContact O-N 2.92Å
419	G	96.5	Very high	95.1	Very high	12 Å²	12	44 Å²	44	12%	0.124	26%	0.255	C	S	.	.	S	Bend	trans	-139.1	-177.7	-178.9	0	0	0	0	0	112.5	P70 Y416 F421	P70-G419 CarbonylContact O-C 3.59Å; P70-G419 WeakPolarHBondContact O-CA 3.3Å; Y416-G419 PolarHBondContact O-N 2.91Å; G419-F421 PolarHBondContact O-N 3.08Å
420	Y	97.7	Very high	95.4	Very high	63 Å²	63	36 Å²	36	25%	0.247	22%	0.22	C	C	.	.			trans	-100.7	81.9	-174.2	-49.1	-65.2	0	0	0	111	P70 P374 V375 E378 L381	P70-Y420 HydrophobicContact CB-CD2 3.8Å; P70-Y420 HydrophobicContact CB-CE2 4.23Å; P70-Y420 WeakPolarHBondContact O-CD2 3.03Å; P70-Y420 PolarHBondContact O-N 3.03Å; P374-Y420 CarbonylContact C-O 3.55Å; P374-Y420 VanDerWaalsContact CA-O 3.31Å; P374-Y420 WeakPolarHBondContact CA-O 3.33Å; P374-Y420 WeakPolarHBondContact CB-O 3.01Å; V375-Y420 VanDerWaalsContact CG2-O 3.31Å; V375-Y420 WeakPolarHBondContact CG2-O 3.23Å; V375-Y420 PolarHBondContact N-O 2.9Å; V375-Y420 WeakPolarHBondContact O-CB 3.24Å; E378-Y420 HydrophobicContact CB-CD1 4.09Å; E378-Y420 HydrophobicContact CB-CE1 3.76Å; L381-Y420 HydrophobicContact CD2-CD1 4.49Å
421	F	97.7	Very high	95.7	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.009	23%	0.233	C	C	.	.			trans	-110.9	118.5	-173.3	-67.4	-83.1	0	0	0	113.3	A71 M362 G363 P374 L406 L414 Y416 G419	A71-F421 HydrophobicContact CB-CE2 4.34Å; A71-F421 HydrophobicContact CB-CZ 3.76Å; A71-F421 WeakPolarHBondContact O-CE2 3.32Å; M362-F421 HydrophobicContact CG-CD1 3.75Å; M362-F421 HydrophobicContact CG-CE1 4.19Å; M362-F421 HydrophobicContact SD-CB 4.46Å; M362-F421 HydrophobicContact SD-CD1 3.93Å; G363-F421 WeakPolarHBondContact O-CE1 3.17Å; P374-F421 HydrophobicContact CB-CD1 3.97Å; P374-F421 HydrophobicContact CB-CD2 4.46Å; P374-F421 HydrophobicContact CB-CE1 3.67Å; P374-F421 HydrophobicContact CB-CE2 4.19Å; P374-F421 HydrophobicContact CB-CG 4.37Å; P374-F421 HydrophobicContact CB-CZ 3.78Å; P374-F421 HydrophobicContact CG-CE1 4.3Å; P374-F421 HydrophobicContact CG-CZ 4.26Å; L406-F421 HydrophobicContact CB-CB 3.93Å; L406-F421 HydrophobicContact CD1-CB 4.24Å; L406-F421 PolarHBondContact N-O 3.4Å; L406-F421 VanDerWaalsContact N-O 3.16Å; L414-F421 HydrophobicContact CD2-CE1 4.2Å; L414-F421 HydrophobicContact CD2-CE2 3.73Å; L414-F421 HydrophobicContact CD2-CZ 3.38Å; Y416-F421 HydrophobicContact CD1-CB 3.93Å; Y416-F421 AromaticContact CD1-CD1 3.81Å; Y416-F421 HydrophobicContact CD1-CD1 3.81Å; Y416-F421 AromaticContact CD1-CD2 3.6Å; Y416-F421 HydrophobicContact CD1-CD2 3.6Å; Y416-F421 HydrophobicContact CD1-CE1 4.18Å; Y416-F421 AromaticContact CD1-CE2 3.98Å; Y416-F421 HydrophobicContact CD1-CE2 3.98Å; Y416-F421 AromaticContact CD1-CG 3.49Å; Y416-F421 HydrophobicContact CD1-CG 3.49Å; Y416-F421 VanDerWaalsContact CD1-CG 3.49Å; Y416-F421 HydrophobicContact CD1-CZ 4.26Å; Y416-F421 HydrophobicContact CE1-CD1 4Å; Y416-F421 HydrophobicContact CE1-CE1 4.26Å; Y416-F421 HydrophobicContact CE1-CG 4.15Å; Y416-F421 HydrophobicContact CG-CB 4.45Å; Y416-F421 HydrophobicContact CG-CD2 4.34Å; Y416-F421 HydrophobicContact CG-CG 4.36Å; G419-F421 PolarHBondContact O-N 3.08Å
422	Y	97.9	Very high	96.1	Very high	1 Å²	1	36 Å²	36	0%	0.004	21%	0.209	C	C	.	.			trans	-110.8	128.1	168.7	-159.7	-94.1	0	0	0	109.7	M362 L381 I384 E385 V388 T425 P444 V445	M362-Y422 WeakPolarHBondContact CE-O 3.5Å; L381-Y422 HydrophobicContact CD1-CD2 3.82Å; L381-Y422 HydrophobicContact CD1-CG 4.21Å; I384-Y422 HydrophobicContact CB-CD2 4.47Å; I384-Y422 HydrophobicContact CB-CG 4.41Å; I384-Y422 HydrophobicContact CG2-CD1 3.42Å; I384-Y422 VanDerWaalsContact CG2-CD1 3.42Å; I384-Y422 HydrophobicContact CG2-CD2 3.93Å; I384-Y422 HydrophobicContact CG2-CE1 3.57Å; I384-Y422 HydrophobicContact CG2-CE2 4.06Å; I384-Y422 HydrophobicContact CG2-CG 3.61Å; E385-Y422 HydrophobicContact CB-CE2 3.95Å; V388-Y422 VanDerWaalsContact CB-OH 3.25Å; V388-Y422 WeakPolarHBondContact CB-OH 3.35Å; V388-Y422 VanDerWaalsContact CG1-OH 3.31Å; V388-Y422 WeakPolarHBondContact CG1-OH 3.14Å; V388-Y422 HydrophobicContact CG2-CE1 4.06Å; V388-Y422 WeakPolarHBondContact CG2-OH 3.15Å; Y422-T425 WeakPolarHBondContact CE1-OG1 3.38Å; Y422-P444 WeakPolarHBondContact O-CG 3.38Å; Y422-V445 HydrophobicContact CD1-CG2 4.33Å; Y422-V445 HydrophobicContact CE1-CG2 4.05Å
423	P	97.3	Very high	96.4	Very high	17 Å²	17	40.3 Å²	40.3	11%	0.11	23%	0.228	C	C	.	.			trans	-62.5	147.2	-175.6	27	-34.9	0	0	0	112	S404 L406 T425	S404-P423 WeakPolarHBondContact O-CD 3.41Å; S404-P423 WeakPolarHBondContact O-CG 3.2Å; L406-P423 HydrophobicContact CD1-CB 4.39Å; L406-P423 HydrophobicContact CD2-CB 4.06Å; L406-P423 HydrophobicContact CG-CB 4.09Å; P423-T425 PolarHBondContact O-N 2.85Å; P423-T425 PolarHBondContact O-OG1 3.27Å
424	A	98.2	Very high	96.9	Very high	16 Å²	16	37.3 Å²	37.3	13%	0.132	20%	0.197	C	C	.	.			trans	-55.6	123.3	167	0	0	0	0	0	109.4	F326 V357 L372 P444	F326-A424 HydrophobicContact CD1-CB 4.08Å; F326-A424 HydrophobicContact CE1-CB 3.74Å; V357-A424 HydrophobicContact CG1-CB 3.76Å; L372-A424 HydrophobicContact CD1-CB 3.75Å; A424-P444 WeakPolarHBondContact CA-O 3.39Å
425	T	98.7	Very high	97.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.9	-167.5	-59.2	0	0	0	0	110.7	I400 G402 Y422 P423 L427 P444 V445 A446	I400-T425 VanDerWaalsContact O-CA 3.26Å; I400-T425 WeakPolarHBondContact O-CA 3.36Å; G402-T425 WeakPolarHBondContact CA-OG1 3.23Å; G402-T425 PolarHBondContact N-OG1 2.93Å; Y422-T425 WeakPolarHBondContact CE1-OG1 3.38Å; P423-T425 PolarHBondContact O-N 2.85Å; P423-T425 PolarHBondContact O-OG1 3.27Å; T425-L427 HydrophobicContact CG2-CD2 3.78Å; T425-L427 HydrophobicContact CG2-CG 4.04Å; T425-P444 PolarHBondContact N-O 2.67Å; T425-V445 HydrophobicContact CG2-CG1 4.19Å; T425-V445 CarbonylContact O-C 3.55Å; T425-V445 WeakPolarHBondContact O-CA 3.43Å; T425-A446 PolarHBondContact O-N 2.84Å
426	V	98.8	Very high	97.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.1	167.3	-179.2	0	0	0	0	108.2	L353 V357 L399 I400 A446 V448	L353-V426 HydrophobicContact CD2-CG1 4.15Å; L353-V426 HydrophobicContact CG-CG2 4.29Å; V357-V426 HydrophobicContact CB-CG2 4.08Å; V357-V426 HydrophobicContact CG1-CG2 4.15Å; V357-V426 HydrophobicContact CG2-CG2 3.85Å; L399-V426 HydrophobicContact CD1-CG1 4.38Å; L399-V426 PolarHBondContact N-O 3.03Å; I400-V426 HydrophobicContact CG2-CB 3.9Å; I400-V426 HydrophobicContact CG2-CG2 3.75Å; I400-V426 PolarHBondContact O-N 3.05Å; V426-A446 HydrophobicContact CG2-CB 4.5Å; V426-V448 HydrophobicContact CG1-CG2 4.38Å
427	L	98.8	Very high	97.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.8	171.7	-59.1	-178.5	0	0	0	108.8	V388 V392 A396 H397 A398 T425 C430 C436 V445 A446 V448	V388-L427 HydrophobicContact CG1-CD1 4.5Å; V388-L427 HydrophobicContact CG1-CD2 4.26Å; V388-L427 HydrophobicContact CG2-CD1 4.49Å; V392-L427 HydrophobicContact CG2-CD2 4.34Å; A396-L427 HydrophobicContact CB-CB 4.48Å; H397-L427 WeakPolarHBondContact O-CA 3.31Å; A398-L427 HydrophobicContact CB-CD2 3.87Å; T425-L427 HydrophobicContact CG2-CD2 3.78Å; T425-L427 HydrophobicContact CG2-CG 4.04Å; L427-C430 VanDerWaalsContact CB-SG 3.56Å; L427-C436 HydrophobicContact CD1-CB 4.14Å; L427-V445 HydrophobicContact CD1-CG1 3.82Å; L427-V445 HydrophobicContact CG-CG1 4.01Å; L427-A446 PolarHBondContact N-O 3.41Å; L427-V448 PolarHBondContact O-N 2.8Å
428	S	98.2	Very high	97.3	Very high	12 Å²	12	35.1 Å²	35.1	8%	0.084	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	173.6	171.3	66	0	0	0	0	110.5	A396 H397 L399 C430	A396-S428 WeakPolarHBondContact CA-O 3.42Å; H397-S428 PolarHBondContact N-O 2.96Å; H397-S428 PolarHBondContact O-N 3.47Å; H397-S428 PolarHBondContact O-OG 2.99Å; L399-S428 WeakPolarHBondContact CG-OG 3.43Å; S428-C430 PolarHBondContact O-N 2.95Å
429	N	98	Very high	97.4	Very high	95 Å²	95	35 Å²	35	51%	0.508	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.7	30.7	-175.2	-163.1	44.7	0	0	0	112.6	G395 M434	G395-N429 PolarHBondContact O-ND2 2.83Å; N429-M434 VanDerWaalsContact O-CE 3.24Å; N429-M434 WeakPolarHBondContact O-CE 3.25Å
430	C	98.4	Very high	97.4	Very high	7 Å²	7	35.4 Å²	35.4	5%	0.047	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	149.6	176.9	-60.9	0	0	0	0	110.4	L427 S428 M434 M437 V448 C449	L427-C430 VanDerWaalsContact CB-SG 3.56Å; S428-C430 PolarHBondContact O-N 2.95Å; C430-M434 HydrophobicContact CB-SD 4.2Å; C430-M437 HydrophobicContact CB-CG 4.18Å; C430-M437 HydrophobicContact CB-SD 4.26Å; C430-V448 WeakPolarHBondContact CB-O 3.18Å; C430-V448 PolarHBondContact N-O 3.31Å; C430-V448 VanDerWaalsContact N-O 3.16Å; C430-C449 WeakPolarHBondContact O-CA 3.38Å; C430-C449 PolarHBondContact O-SG 2.82Å; C430-C449 VanDerWaalsContact O-SG 3.32Å
431	H	97	Very high	97.4	Very high	82 Å²	82	32.5 Å²	32.5	38%	0.38	16%	0.164	S	C	.	.			trans	-133.8	160.7	168.2	62.5	56	0	0	0	110.6	K433 M434 M437	H431-K433 PolarHBondContact ND1-N 2.86Å; H431-K433 PolarHBondContact O-N 2.91Å; H431-M434 WeakPolarHBondContact CD2-CE 3.45Å; H431-M434 VanDerWaalsContact CE1-CG 3.42Å; H431-M434 WeakPolarHBondContact CE1-CG 3.45Å; H431-M434 WeakPolarHBondContact NE2-CE 3.44Å; H431-M434 WeakPolarHBondContact O-CB 3.08Å; H431-M434 WeakPolarHBondContact O-CG 3.14Å; H431-M434 PolarHBondContact O-N 3.42Å; H431-M437 WeakPolarHBondContact O-CG 3.21Å
432	T	94.8	Very high	97.4	Very high	42 Å²	42	34.1 Å²	34.1	26%	0.258	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.3	-169.6	49	0	0	0	0	115.7	F340 M434 M437 E438 L460	F340-T432 HydrophobicContact CE1-CG2 4.04Å; F340-T432 HydrophobicContact CZ-CG2 4.23Å; T432-M434 VanDerWaalsContact C-N 3.33Å; T432-M437 HydrophobicContact CG2-CE 4.47Å; T432-E438 WeakPolarHBondContact O-CG 3.32Å; T432-L460 HydrophobicContact CG2-CB 4.2Å; T432-L460 HydrophobicContact CG2-CD2 3.76Å; T432-L460 HydrophobicContact CG2-CG 4.44Å
433	K	95.5	Very high	97.4	Very high	160 Å²	160	34.1 Å²	34.1	70%	0.696	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	2.4	173.2	-54.8	-177	179.6	179.4	0	115.2	H431	H431-K433 PolarHBondContact ND1-N 2.86Å; H431-K433 PolarHBondContact O-N 2.91Å
434	M	98.1	Very high	97.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.166	C	C	.	.	S	Bend	trans	-86	148.5	177.6	-64.7	-173.4	-177.7	0	0	110.8	H394 A396 N429 C430 H431 T432 C436 M437 E438	H394-M434 HydrophobicContact CB-CG 4.31Å; H394-M434 VanDerWaalsContact O-CE 3.3Å; H394-M434 WeakPolarHBondContact O-CE 3.28Å; A396-M434 HydrophobicContact CB-CE 4.35Å; A396-M434 HydrophobicContact CB-SD 3.78Å; N429-M434 VanDerWaalsContact O-CE 3.24Å; N429-M434 WeakPolarHBondContact O-CE 3.25Å; C430-M434 HydrophobicContact CB-SD 4.2Å; H431-M434 WeakPolarHBondContact CD2-CE 3.45Å; H431-M434 VanDerWaalsContact CE1-CG 3.42Å; H431-M434 WeakPolarHBondContact CE1-CG 3.45Å; H431-M434 WeakPolarHBondContact NE2-CE 3.44Å; H431-M434 WeakPolarHBondContact O-CB 3.08Å; H431-M434 WeakPolarHBondContact O-CG 3.14Å; H431-M434 PolarHBondContact O-N 3.42Å; T432-M434 VanDerWaalsContact C-N 3.33Å; M434-C436 PolarHBondContact O-N 3.14Å; M434-C436 VanDerWaalsContact O-N 3.17Å; M434-M437 WeakPolarHBondContact O-CA 3.28Å; M434-M437 WeakPolarHBondContact O-CB 3.06Å; M434-M437 PolarHBondContact O-N 2.93Å; M434-E438 PolarHBondContact O-N 3.28Å
435	A	97.4	Very high	97.5	Very high	16 Å²	16	32.5 Å²	32.5	13%	0.132	16%	0.16	C	C	.	.	H	α-helix	trans	-55.5	-36.7	-178.9	0	0	0	0	0	113.3	L387 L390 M437 E439	L387-A435 HydrophobicContact CD2-CB 3.81Å; L390-A435 HydrophobicContact CB-CB 4.07Å; L390-A435 HydrophobicContact CD1-CB 4.36Å; A435-M437 PolarHBondContact O-N 3Å; A435-E439 PolarHBondContact O-N 3.35Å; A435-E439 VanDerWaalsContact O-N 3.11Å
436	C	97	Very high	97.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-70	-12.6	176.6	69.2	0	0	0	0	114.8	S391 L427 M434 V441 S447	S391-C436 WeakPolarHBondContact OG-CB 2.88Å; S391-C436 PolarHBondContact OG-N 3.45Å; S391-C436 PolarHBondContact OG-SG 3.45Å; L427-C436 HydrophobicContact CD1-CB 4.14Å; M434-C436 PolarHBondContact O-N 3.14Å; M434-C436 VanDerWaalsContact O-N 3.17Å; C436-V441 HydrophobicContact CB-CG2 4.26Å; C436-S447 WeakPolarHBondContact CB-OG 3.46Å; C436-S447 PolarHBondContact O-OG 2.95Å; C436-S447 PolarHBondContact SG-OG 3.41Å; C436-S447 VanDerWaalsContact SG-OG 3.38Å
437	M	97.5	Very high	97.4	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.02	16%	0.16	C	C	.	.	H	α-helix	trans	-105.8	-31.6	177.3	-62.7	-67	-73.1	0	0	111.7	N303 R338 F340 C430 H431 T432 M434 A435 S447 C449	N303-M437 PolarHBondContact ND2-O 2.95Å; R338-M437 HydrophobicContact CB-CE 3.64Å; R338-M437 HydrophobicContact CB-SD 4.14Å; R338-M437 WeakPolarHBondContact CD-O 3.36Å; R338-M437 HydrophobicContact CG-CE 3.81Å; R338-M437 HydrophobicContact CG-SD 3.97Å; F340-M437 HydrophobicContact CE1-CE 3.84Å; F340-M437 HydrophobicContact CZ-CE 3.83Å; C430-M437 HydrophobicContact CB-CG 4.18Å; C430-M437 HydrophobicContact CB-SD 4.26Å; H431-M437 WeakPolarHBondContact O-CG 3.21Å; T432-M437 HydrophobicContact CG2-CE 4.47Å; M434-M437 WeakPolarHBondContact O-CA 3.28Å; M434-M437 WeakPolarHBondContact O-CB 3.06Å; M434-M437 PolarHBondContact O-N 2.93Å; A435-M437 PolarHBondContact O-N 3Å; M437-S447 VanDerWaalsContact SD-CB 3.55Å; M437-C449 HydrophobicContact CE-CB 3.78Å
438	E	96.6	Very high	97.4	Very high	110 Å²	110	32.6 Å²	32.6	51%	0.514	16%	0.16	S	C	.	.	H	α-helix	trans	-79.6	-42.1	179.2	-66.4	-173.7	150.9	0	0	112.6	N303 T432 M434	N303-E438 PolarHBondContact ND2-O 3.46Å; T432-E438 WeakPolarHBondContact O-CG 3.32Å; M434-E438 PolarHBondContact O-N 3.28Å
439	E	95.1	Very high	97.4	Very high	94 Å²	94	32.4 Å²	32.4	44%	0.439	16%	0.159	S	C	.	.	S	Bend	trans	-105.1	146.3	-176.9	-66.1	-172	-138.6	0	0	112.5	L387 A435 V441	L387-E439 HydrophobicContact CD1-CB 4.35Å; L387-E439 HydrophobicContact CD2-CB 4.24Å; A435-E439 PolarHBondContact O-N 3.35Å; A435-E439 VanDerWaalsContact O-N 3.11Å; E439-V441 PolarHBondContact O-N 3.37Å; E439-V441 VanDerWaalsContact O-N 3.09Å
440	E	96.7	Very high	97.5	Very high	22 Å²	22	32.8 Å²	32.8	10%	0.103	15%	0.153	C	C	.	.			trans	-65.6	109.7	168.9	-175	178.2	-143.5	0	0	109.9	G302 K383 F442	G302-E440 PolarHBondContact N-OE1 3.17Å; G302-E440 WeakPolarHBondContact O-CB 3.43Å; G302-E440 WeakPolarHBondContact O-CG 3.4Å; G302-E440 VanDerWaalsContact O-OE1 3.11Å; K383-E440 WeakPolarHBondContact CE-O 3.45Å; K383-E440 PolarHBondContact NZ-O 3.36Å; E440-F442 VanDerWaalsContact C-N 3.33Å; E440-F442 VanDerWaalsContact CD-CD2 3.44Å; E440-F442 HydrophobicContact CG-CB 4.26Å; E440-F442 HydrophobicContact CG-CD2 3.88Å; E440-F442 PolarHBondContact O-N 3.03Å; E440-F442 VanDerWaalsContact OE1-CD2 3.3Å; E440-F442 WeakPolarHBondContact OE1-CD2 3.36Å
441	V	97.5	Very high	97.5	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	15%	0.151	C	C	.	.			trans	-63.4	-40.6	178.2	179.9	0	0	0	0	111.4	I384 L387 C436 E439 G443 V445	I384-V441 HydrophobicContact CB-CG1 4.41Å; I384-V441 HydrophobicContact CG1-CG1 4.02Å; I384-V441 HydrophobicContact CG2-CG1 4.09Å; L387-V441 HydrophobicContact CD1-CB 4.34Å; L387-V441 HydrophobicContact CD1-CG2 4.12Å; C436-V441 HydrophobicContact CB-CG2 4.26Å; E439-V441 PolarHBondContact O-N 3.37Å; E439-V441 VanDerWaalsContact O-N 3.09Å; V441-G443 VanDerWaalsContact C-N 3.33Å; V441-G443 PolarHBondContact O-N 3.48Å; V441-V445 HydrophobicContact CG1-CB 4.04Å; V441-V445 HydrophobicContact CG1-CG2 3.9Å
442	F	97.6	Very high	97.5	Very high	36 Å²	36	35 Å²	35	16%	0.158	16%	0.161	C	C	.	.			trans	55.1	45.7	-176.9	-141.4	-104.5	0	0	0	113.1	W194 N195 G330 Q331 E440	W194-F442 AromaticContact CH2-CD1 3.67Å; W194-F442 HydrophobicContact CH2-CD1 3.67Å; W194-F442 AromaticContact CH2-CE1 3.36Å; W194-F442 HydrophobicContact CH2-CE1 3.36Å; W194-F442 AromaticContact CZ2-CD1 3.72Å; W194-F442 HydrophobicContact CZ2-CD1 3.72Å; W194-F442 AromaticContact CZ2-CE1 3.42Å; W194-F442 HydrophobicContact CZ2-CE1 3.42Å; W194-F442 VanDerWaalsContact CZ2-CE1 3.42Å; W194-F442 HydrophobicContact CZ3-CE1 4.28Å; N195-F442 HydrophobicContact CB-CE1 4.28Å; N195-F442 HydrophobicContact CB-CZ 4.37Å; G330-F442 CarbonylContact O-C 3.54Å; Q331-F442 VanDerWaalsContact C-CZ 3.49Å; Q331-F442 HydrophobicContact CB-CD1 3.86Å; Q331-F442 HydrophobicContact CB-CE1 3.74Å; Q331-F442 HydrophobicContact CG-CD1 4.13Å; Q331-F442 HydrophobicContact CG-CE1 4.46Å; Q331-F442 WeakPolarHBondContact CG-O 3.41Å; Q331-F442 WeakPolarHBondContact O-CZ 3.31Å; E440-F442 VanDerWaalsContact C-N 3.33Å; E440-F442 VanDerWaalsContact CD-CD2 3.44Å; E440-F442 HydrophobicContact CG-CB 4.26Å; E440-F442 HydrophobicContact CG-CD2 3.88Å; E440-F442 PolarHBondContact O-N 3.03Å; E440-F442 VanDerWaalsContact OE1-CD2 3.3Å; E440-F442 WeakPolarHBondContact OE1-CD2 3.36Å
443	G	98.2	Very high	97.7	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-159.9	179.1	-177.9	0	0	0	0	0	111.3	K325 S329 G330 V441 V445	K325-G443 WeakPolarHBondContact CE-O 3.2Å; K325-G443 PolarHBondContact NZ-O 2.92Å; S329-G443 CarbonylContact O-C 3.6Å; S329-G443 VanDerWaalsContact O-CA 3.3Å; S329-G443 WeakPolarHBondContact O-CA 3.31Å; G330-G443 PolarHBondContact O-N 2.94Å; V441-G443 VanDerWaalsContact C-N 3.33Å; V441-G443 PolarHBondContact O-N 3.48Å; G443-V445 PolarHBondContact O-N 2.92Å
444	P	98.1	Very high	97.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-82.6	56.3	-168.9	34.9	-36.3	0	0	0	111.6	F326 S329 M362 Y422 A424 T425	F326-P444 HydrophobicContact CD1-CB 4.02Å; F326-P444 HydrophobicContact CE1-CB 4.24Å; F326-P444 WeakPolarHBondContact CE1-O 3.39Å; S329-P444 WeakPolarHBondContact O-CD 3.11Å; M362-P444 HydrophobicContact CE-CB 4.47Å; M362-P444 HydrophobicContact CE-CG 4.15Å; Y422-P444 WeakPolarHBondContact O-CG 3.38Å; A424-P444 WeakPolarHBondContact CA-O 3.39Å; T425-P444 PolarHBondContact N-O 2.67Å
445	V	98.7	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	116.3	-176.5	-175.5	0	0	0	0	110	K325 I384 V388 Y422 T425 L427 V441 G443	K325-V445 VanDerWaalsContact CD-O 3.23Å; K325-V445 WeakPolarHBondContact CD-O 3.49Å; K325-V445 WeakPolarHBondContact CE-O 3.31Å; K325-V445 PolarHBondContact NZ-O 3.14Å; I384-V445 HydrophobicContact CG2-CG2 3.8Å; V388-V445 HydrophobicContact CG2-CG1 3.97Å; V388-V445 HydrophobicContact CG2-CG2 3.75Å; Y422-V445 HydrophobicContact CD1-CG2 4.33Å; Y422-V445 HydrophobicContact CE1-CG2 4.05Å; T425-V445 HydrophobicContact CG2-CG1 4.19Å; T425-V445 CarbonylContact O-C 3.55Å; T425-V445 WeakPolarHBondContact O-CA 3.43Å; L427-V445 HydrophobicContact CD1-CG1 3.82Å; L427-V445 HydrophobicContact CG-CG1 4.01Å; V441-V445 HydrophobicContact CG1-CB 4.04Å; V441-V445 HydrophobicContact CG1-CG2 3.9Å; G443-V445 PolarHBondContact O-N 2.92Å
446	A	98.6	Very high	97.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	113.9	175.2	0	0	0	0	0	109.6	K325 F326 I339 L353 T425 V426 L427	K325-A446 HydrophobicContact CG-CB 3.87Å; F326-A446 HydrophobicContact CE2-CB 4.11Å; F326-A446 HydrophobicContact CZ-CB 3.98Å; I339-A446 HydrophobicContact CD1-CB 3.83Å; L353-A446 HydrophobicContact CD2-CB 4.37Å; T425-A446 PolarHBondContact O-N 2.84Å; V426-A446 HydrophobicContact CG2-CB 4.5Å; L427-A446 PolarHBondContact N-O 3.41Å
447	S	98.6	Very high	97.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	117.5	179.8	-50.1	0	0	0	0	109.9	I339 C436 M437	I339-S447 WeakPolarHBondContact CB-O 3.48Å; I339-S447 PolarHBondContact N-O 2.92Å; C436-S447 WeakPolarHBondContact CB-OG 3.46Å; C436-S447 PolarHBondContact O-OG 2.95Å; C436-S447 PolarHBondContact SG-OG 3.41Å; C436-S447 VanDerWaalsContact SG-OG 3.38Å; M437-S447 VanDerWaalsContact SD-CB 3.55Å
448	V	98.8	Very high	98	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.5	-175.1	-169.2	0	0	0	0	111.1	I339 V341 V350 L353 V426 L427 C430	I339-V448 HydrophobicContact CB-CG2 4.28Å; I339-V448 HydrophobicContact CD1-CG2 4.44Å; I339-V448 HydrophobicContact CG2-CG1 4.36Å; I339-V448 HydrophobicContact CG2-CG2 4.38Å; I339-V448 CarbonylContact O-C 3.56Å; I339-V448 WeakPolarHBondContact O-CA 3.41Å; V341-V448 HydrophobicContact CG2-CG1 3.73Å; V350-V448 HydrophobicContact CG2-CB 4.31Å; V350-V448 HydrophobicContact CG2-CG1 3.77Å; L353-V448 HydrophobicContact CD2-CG2 3.86Å; V426-V448 HydrophobicContact CG1-CG2 4.38Å; L427-V448 PolarHBondContact O-N 2.8Å; C430-V448 WeakPolarHBondContact CB-O 3.18Å; C430-V448 PolarHBondContact N-O 3.31Å; C430-V448 VanDerWaalsContact N-O 3.16Å
449	C	98.1	Very high	98.1	Very high	8 Å²	8	41.5 Å²	41.5	5%	0.054	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.6	177.7	-175.8	0	0	0	0	109.9	I339 F340 V341 C430 M437	I339-C449 PolarHBondContact O-N 3.34Å; F340-C449 CarbonylContact C-O 3.52Å; F340-C449 WeakPolarHBondContact CA-O 3.34Å; F340-C449 HydrophobicContact CD1-CB 3.85Å; F340-C449 HydrophobicContact CE1-CB 4.06Å; V341-C449 PolarHBondContact N-O 2.95Å; C430-C449 WeakPolarHBondContact O-CA 3.38Å; C430-C449 PolarHBondContact O-SG 2.82Å; C430-C449 VanDerWaalsContact O-SG 3.32Å; M437-C449 HydrophobicContact CE-CB 3.78Å
450	R	98.4	Very high	98.2	Very high	103 Å²	103	38.7 Å²	38.7	39%	0.389	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	146.6	175.9	-172.1	179.5	-82.1	-140.8	10	110.3	V341 D343 H346 D347	V341-R450 WeakPolarHBondContact O-CA 3.25Å; D343-R450 HydrophobicContact CB-CG 4.34Å; D343-R450 WeakPolarHBondContact OD1-CD 3.42Å; D343-R450 IonicContact OD1-CZ 3.38Å; D343-R450 IonicContact OD1-NE 3.61Å; D343-R450 IonicContact OD1-NH1 2.55Å; D343-R450 PolarHBondContact OD1-NH1 3.01Å; H346-R450 HydrophobicContact CB-CG 4.39Å; H346-R450 PolarHBondContact ND1-NH2 2.95Å; H346-R450 VanDerWaalsContact ND1-NH2 3.15Å; D347-R450 IonicContact OD1-CZ 3.04Å; D347-R450 IonicContact OD1-NH2 2.7Å; D347-R450 PolarHBondContact OD1-NH2 3.38Å; D347-R450 IonicContact OD2-NH2 3.2Å
451	F	98.5	Very high	98.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	164.1	169.8	75.6	-89.6	0	0	0	110.5	I307 F309 F340 V341 H342 D343 T453 V457	I307-F451 HydrophobicContact CG2-CE1 3.93Å; I307-F451 HydrophobicContact CG2-CZ 3.87Å; F309-F451 AromaticContact CD1-CE2 3.99Å; F309-F451 HydrophobicContact CD1-CE2 3.99Å; F309-F451 AromaticContact CD1-CZ 3.84Å; F309-F451 HydrophobicContact CD1-CZ 3.84Å; F309-F451 AromaticContact CE1-CE2 3.62Å; F309-F451 HydrophobicContact CE1-CE2 3.62Å; F309-F451 AromaticContact CE1-CZ 3.72Å; F309-F451 HydrophobicContact CE1-CZ 3.72Å; F309-F451 HydrophobicContact CG-CZ 4.36Å; F309-F451 HydrophobicContact CZ-CE2 4.24Å; F309-F451 HydrophobicContact CZ-CZ 4.1Å; F340-F451 HydrophobicContact CB-CD1 3.78Å; F340-F451 HydrophobicContact CB-CE1 4.07Å; V341-F451 WeakPolarHBondContact O-CD1 3.5Å; V341-F451 PolarHBondContact O-N 2.74Å; V341-F451 VanDerWaalsContact O-N 3.12Å; H342-F451 CarbonylContact C-O 3.55Å; H342-F451 WeakPolarHBondContact CA-O 3.31Å; H342-F451 HydrophobicContact CB-CE1 4.09Å; H342-F451 HydrophobicContact CB-CE2 4.12Å; H342-F451 HydrophobicContact CB-CZ 3.75Å; H342-F451 AromaticContact CD2-CE2 3.62Å; D343-F451 PolarHBondContact N-O 3.36Å; F451-T453 WeakPolarHBondContact CD2-O 3.3Å; F451-V457 HydrophobicContact CB-CB 4.17Å; F451-V457 HydrophobicContact CB-CG2 4.42Å; F451-V457 HydrophobicContact CD1-CB 4.11Å; F451-V457 HydrophobicContact CD1-CG2 3.78Å; F451-V457 HydrophobicContact CD2-CB 3.54Å; F451-V457 HydrophobicContact CD2-CG1 3.89Å; F451-V457 HydrophobicContact CD2-CG2 4.15Å; F451-V457 HydrophobicContact CE1-CB 4.35Å; F451-V457 HydrophobicContact CE1-CG2 3.95Å; F451-V457 HydrophobicContact CE2-CB 3.81Å; F451-V457 HydrophobicContact CE2-CG1 3.66Å; F451-V457 HydrophobicContact CE2-CG2 4.3Å; F451-V457 HydrophobicContact CG-CB 3.69Å; F451-V457 HydrophobicContact CG-CG1 4.46Å; F451-V457 HydrophobicContact CG-CG2 3.87Å; F451-V457 HydrophobicContact CZ-CB 4.21Å; F451-V457 HydrophobicContact CZ-CG1 4.06Å; F451-V457 HydrophobicContact CZ-CG2 4.21Å
452	K	98.5	Very high	98.3	Very high	135 Å²	135	38.7 Å²	38.7	59%	0.587	18%	0.182	S	C	*	.			trans	-118.9	-27.9	-176.9	-67	-177.4	177.7	-177.5	0	115	H342 D343 E456	H342-K452 PolarHBondContact NE2-O 3.03Å; H342-K452 VanDerWaalsContact NE2-O 3.08Å; D343-K452 HydrophobicContact CB-CG 4.11Å; K452-E456 PolarHBondContact N-OE2 2.84Å
453	T	98.4	Very high	98.3	Very high	63 Å²	63	40.6 Å²	40.6	39%	0.387	20%	0.204	S	C	.	.			trans	-131.1	156.3	-175.1	63.4	0	0	0	0	112.1	F451 E455 E456 V457	F451-T453 WeakPolarHBondContact CD2-O 3.3Å; T453-E455 VanDerWaalsContact C-N 3.3Å; T453-E456 PolarHBondContact N-OE2 2.89Å; T453-E456 PolarHBondContact O-N 3.05Å; T453-E456 WeakPolarHBondContact OG1-CB 3.47Å; T453-E456 PolarHBondContact OG1-N 3.49Å; T453-V457 PolarHBondContact O-N 3.22Å; T453-V457 VanDerWaalsContact O-N 3.14Å
454	E	98.1	Very high	98.3	Very high	31 Å²	31	41.5 Å²	41.5	15%	0.145	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-42.8	176	-176	169.2	137.6	0	0	110.5	F309 V457 I458 Q479 R482 I483	F309-E454 HydrophobicContact CE1-CB 4.33Å; F309-E454 HydrophobicContact CE1-CG 4.47Å; E454-V457 VanDerWaalsContact O-CG1 3.31Å; E454-V457 WeakPolarHBondContact O-CG1 3.28Å; E454-V457 PolarHBondContact O-N 2.87Å; E454-I458 HydrophobicContact CG-CD1 4.05Å; E454-I458 WeakPolarHBondContact O-CD1 3.45Å; E454-I458 VanDerWaalsContact O-CG1 3.26Å; E454-I458 WeakPolarHBondContact O-CG1 3.48Å; E454-I458 PolarHBondContact O-N 3.39Å; E454-I458 VanDerWaalsContact O-N 3.09Å; E454-Q479 WeakPolarHBondContact OE2-CG 3.26Å; E454-Q479 PolarHBondContact OE2-NE2 3.21Å; E454-R482 IonicContact OE1-CZ 2.7Å; E454-R482 IonicContact OE1-NE 3.63Å; E454-R482 PolarHBondContact OE1-NE 3.16Å; E454-R482 IonicContact OE1-NH2 3.03Å; E454-R482 PolarHBondContact OE1-NH2 3.28Å; E454-R482 IonicContact OE2-NH2 2.66Å; E454-R482 PolarHBondContact OE2-NH2 2.87Å; E454-I483 HydrophobicContact CG-CD1 3.97Å; E454-I483 HydrophobicContact CG-CG1 3.96Å
455	E	98.2	Very high	98.2	Very high	134 Å²	134	44.6 Å²	44.6	63%	0.626	23%	0.23	S	C	*	.	H	α-helix	trans	-64.4	-45.9	179.8	-62.9	72.9	-160.4	0	0	111.8	T453 V457 I458 E459	T453-E455 VanDerWaalsContact C-N 3.3Å; E455-V457 PolarHBondContact O-N 3.42Å; E455-I458 PolarHBondContact O-N 3.41Å; E455-E459 PolarHBondContact O-N 2.87Å; E455-E459 VanDerWaalsContact O-N 3.11Å
456	E	98.4	Very high	98.2	Very high	69 Å²	69	46.8 Å²	46.8	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-58.8	-48	177	175.6	-170.9	-165.6	0	0	111.4	K452 T453 I458 E459 L460	K452-E456 PolarHBondContact N-OE2 2.84Å; T453-E456 PolarHBondContact N-OE2 2.89Å; T453-E456 PolarHBondContact O-N 3.05Å; T453-E456 WeakPolarHBondContact OG1-CB 3.47Å; T453-E456 PolarHBondContact OG1-N 3.49Å; E456-I458 VanDerWaalsContact C-N 3.33Å; E456-I458 PolarHBondContact O-N 2.9Å; E456-E459 PolarHBondContact O-N 2.84Å; E456-L460 HydrophobicContact CG-CD1 3.83Å; E456-L460 HydrophobicContact CG-CG 4.33Å; E456-L460 VanDerWaalsContact O-CG 3.28Å; E456-L460 WeakPolarHBondContact O-CG 3.48Å; E456-L460 PolarHBondContact O-N 3.1Å
457	V	98.5	Very high	98.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.9	-30.8	-176	72.3	0	0	0	0	112.5	I307 F309 F340 F451 T453 E454 E455 A461	I307-V457 HydrophobicContact CB-CG2 4.49Å; I307-V457 HydrophobicContact CD1-CG2 4.03Å; I307-V457 HydrophobicContact CG1-CG2 3.96Å; I307-V457 HydrophobicContact CG2-CG1 4.11Å; I307-V457 HydrophobicContact CG2-CG2 3.75Å; F309-V457 HydrophobicContact CE1-CG1 4.08Å; F309-V457 HydrophobicContact CZ-CG1 3.66Å; F340-V457 HydrophobicContact CB-CG2 3.61Å; F340-V457 HydrophobicContact CD1-CG2 4.36Å; F340-V457 HydrophobicContact CD2-CG2 4.37Å; F340-V457 HydrophobicContact CG-CG2 3.88Å; F451-V457 HydrophobicContact CB-CB 4.17Å; F451-V457 HydrophobicContact CB-CG2 4.42Å; F451-V457 HydrophobicContact CD1-CB 4.11Å; F451-V457 HydrophobicContact CD1-CG2 3.78Å; F451-V457 HydrophobicContact CD2-CB 3.54Å; F451-V457 HydrophobicContact CD2-CG1 3.89Å; F451-V457 HydrophobicContact CD2-CG2 4.15Å; F451-V457 HydrophobicContact CE1-CB 4.35Å; F451-V457 HydrophobicContact CE1-CG2 3.95Å; F451-V457 HydrophobicContact CE2-CB 3.81Å; F451-V457 HydrophobicContact CE2-CG1 3.66Å; F451-V457 HydrophobicContact CE2-CG2 4.3Å; F451-V457 HydrophobicContact CG-CB 3.69Å; F451-V457 HydrophobicContact CG-CG1 4.46Å; F451-V457 HydrophobicContact CG-CG2 3.87Å; F451-V457 HydrophobicContact CZ-CB 4.21Å; F451-V457 HydrophobicContact CZ-CG1 4.06Å; F451-V457 HydrophobicContact CZ-CG2 4.21Å; T453-V457 PolarHBondContact O-N 3.22Å; T453-V457 VanDerWaalsContact O-N 3.14Å; E454-V457 VanDerWaalsContact O-CG1 3.31Å; E454-V457 WeakPolarHBondContact O-CG1 3.28Å; E454-V457 PolarHBondContact O-N 2.87Å; E455-V457 PolarHBondContact O-N 3.42Å; V457-A461 WeakPolarHBondContact O-CA 3.43Å; V457-A461 WeakPolarHBondContact O-CB 3.39Å; V457-A461 PolarHBondContact O-N 2.96Å
458	I	98.6	Very high	98.1	Very high	25 Å²	25	46.9 Å²	46.9	13%	0.128	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-47.3	171.5	-71.2	164.8	0	0	0	110	E454 E455 E456 A461 N462 I483 E486	E454-I458 HydrophobicContact CG-CD1 4.05Å; E454-I458 WeakPolarHBondContact O-CD1 3.45Å; E454-I458 VanDerWaalsContact O-CG1 3.26Å; E454-I458 WeakPolarHBondContact O-CG1 3.48Å; E454-I458 PolarHBondContact O-N 3.39Å; E454-I458 VanDerWaalsContact O-N 3.09Å; E455-I458 PolarHBondContact O-N 3.41Å; E456-I458 VanDerWaalsContact C-N 3.33Å; E456-I458 PolarHBondContact O-N 2.9Å; I458-A461 PolarHBondContact O-N 3.33Å; I458-N462 VanDerWaalsContact O-CB 3.31Å; I458-N462 WeakPolarHBondContact O-CB 3.46Å; I458-N462 PolarHBondContact O-N 3.15Å; I458-N462 PolarHBondContact O-ND2 2.85Å; I458-I483 HydrophobicContact CD1-CG1 4.28Å; I458-I483 HydrophobicContact CG1-CG2 4.42Å; I458-E486 HydrophobicContact CD1-CB 4.03Å; I458-E486 HydrophobicContact CD1-CG 4.21Å; I458-E486 HydrophobicContact CG1-CB 4.34Å; I458-E486 HydrophobicContact CG2-CB 3.89Å
459	E	98.4	Very high	98.1	Very high	147 Å²	147	47 Å²	47	69%	0.687	24%	0.239	S	C	*	.	H	α-helix	trans	-60	-50.9	177.5	-172.5	-178.9	169.9	0	0	111	E455 E456 A461 N462 A463	E455-E459 PolarHBondContact O-N 2.87Å; E455-E459 VanDerWaalsContact O-N 3.11Å; E456-E459 PolarHBondContact O-N 2.84Å; E459-A461 PolarHBondContact O-N 2.97Å; E459-N462 PolarHBondContact O-N 2.88Å; E459-A463 VanDerWaalsContact O-CB 3.24Å; E459-A463 WeakPolarHBondContact O-CB 3.41Å; E459-A463 PolarHBondContact O-N 3.38Å
460	L	98.2	Very high	98.1	Very high	35 Å²	35	46.6 Å²	46.6	18%	0.183	24%	0.237	C	C	.	.	H	α-helix	trans	-63.2	-39.2	179.1	-64.7	175.1	0	0	0	112.5	R338 F340 T432 E456 N462	R338-L460 PolarHBondContact NH1-O 2.92Å; F340-L460 HydrophobicContact CE1-CB 3.89Å; F340-L460 HydrophobicContact CE1-CD1 4.34Å; F340-L460 HydrophobicContact CZ-CB 4.15Å; T432-L460 HydrophobicContact CG2-CB 4.2Å; T432-L460 HydrophobicContact CG2-CD2 3.76Å; T432-L460 HydrophobicContact CG2-CG 4.44Å; E456-L460 HydrophobicContact CG-CD1 3.83Å; E456-L460 HydrophobicContact CG-CG 4.33Å; E456-L460 VanDerWaalsContact O-CG 3.28Å; E456-L460 WeakPolarHBondContact O-CG 3.48Å; E456-L460 PolarHBondContact O-N 3.1Å; L460-N462 VanDerWaalsContact C-N 3.34Å
461	A	98.3	Very high	98.2	Very high	2 Å²	2	41.7 Å²	41.7	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-65.4	-39.3	177.9	0	0	0	0	0	111.3	P305 I307 R338 V457 I458 E459 L487	P305-A461 HydrophobicContact CB-CB 3.77Å; P305-A461 HydrophobicContact CG-CB 4.06Å; I307-A461 HydrophobicContact CD1-CB 3.98Å; R338-A461 PolarHBondContact NH1-O 3.18Å; R338-A461 VanDerWaalsContact NH1-O 3.08Å; R338-A461 PolarHBondContact NH2-O 2.8Å; V457-A461 WeakPolarHBondContact O-CA 3.43Å; V457-A461 WeakPolarHBondContact O-CB 3.39Å; V457-A461 PolarHBondContact O-N 2.96Å; I458-A461 PolarHBondContact O-N 3.33Å; E459-A461 PolarHBondContact O-N 2.97Å; A461-L487 HydrophobicContact CB-CD2 3.58Å
462	N	98.3	Very high	98.2	Very high	22 Å²	22	41.6 Å²	41.6	12%	0.118	22%	0.218	C	C	.	.	H	α-helix	trans	-84	-18.9	-179.3	-74.6	-28.5	0	0	0	114.4	I458 E459 L460 T464 E486 Q488 K510	I458-N462 VanDerWaalsContact O-CB 3.31Å; I458-N462 WeakPolarHBondContact O-CB 3.46Å; I458-N462 PolarHBondContact O-N 3.15Å; I458-N462 PolarHBondContact O-ND2 2.85Å; E459-N462 PolarHBondContact O-N 2.88Å; L460-N462 VanDerWaalsContact C-N 3.34Å; N462-T464 PolarHBondContact O-N 3.22Å; N462-E486 PolarHBondContact ND2-O 3.41Å; N462-Q488 HydrophobicContact CB-CG 4.5Å; N462-Q488 WeakPolarHBondContact OD1-CB 3.25Å; N462-Q488 PolarHBondContact OD1-N 3.2Å; N462-K510 PolarHBondContact O-NZ 3.26Å
463	A	97.4	Very high	98.2	Very high	75 Å²	75	35.3 Å²	35.3	62%	0.62	19%	0.191	S	C	*	.	S	Bend	trans	-70.8	58.5	178.7	0	0	0	0	0	113	E459	E459-A463 VanDerWaalsContact O-CB 3.24Å; E459-A463 WeakPolarHBondContact O-CB 3.41Å; E459-A463 PolarHBondContact O-N 3.38Å
464	T	96.9	Very high	98.2	Very high	19 Å²	19	32.4 Å²	32.4	12%	0.117	17%	0.173	C	C	.	.	S	Bend	trans	-155.2	147.7	179.6	-177.7	0	0	0	0	109.7	N462 Y466 K510	N462-T464 PolarHBondContact O-N 3.22Å; T464-Y466 WeakPolarHBondContact CG2-O 3.36Å; T464-Y466 PolarHBondContact O-N 3.01Å; T464-Y466 VanDerWaalsContact OG1-CD2 3.31Å; T464-Y466 WeakPolarHBondContact OG1-CD2 2.92Å; T464-Y466 PolarHBondContact OG1-N 3.35Å; T464-K510 PolarHBondContact O-NZ 2.82Å
465	P	96.9	Very high	98.2	Very high	66 Å²	66	36.6 Å²	36.6	43%	0.429	19%	0.192	S	C	.	.	S	Bend	trans	-70.3	-12.7	173.3	29.1	-36	0	0	0	113.1	K510 N511	P465-K510 WeakPolarHBondContact O-CB 3.34Å; P465-N511 HydrophobicContact CB-CB 4.34Å; P465-N511 VanDerWaalsContact O-CB 3.32Å; P465-N511 WeakPolarHBondContact O-CB 3.48Å; P465-N511 PolarHBondContact O-N 2.79Å
466	Y	97.9	Very high	98.2	Very high	46 Å²	46	33.4 Å²	33.4	18%	0.18	18%	0.179	C	C	.	.			trans	-88.6	150	-177.8	-56	-74.9	0	0	0	111.9	G301 N303 T464 S512	G301-Y466 WeakPolarHBondContact O-CD1 3.44Å; N303-Y466 HydrophobicContact CB-CD2 3.43Å; N303-Y466 VanDerWaalsContact CB-CD2 3.43Å; N303-Y466 HydrophobicContact CB-CE2 4.11Å; N303-Y466 HydrophobicContact CB-CG 3.91Å; T464-Y466 WeakPolarHBondContact CG2-O 3.36Å; T464-Y466 PolarHBondContact O-N 3.01Å; T464-Y466 VanDerWaalsContact OG1-CD2 3.31Å; T464-Y466 WeakPolarHBondContact OG1-CD2 2.92Å; T464-Y466 PolarHBondContact OG1-N 3.35Å; Y466-S512 WeakPolarHBondContact CA-OG 3.21Å
467	G	97.9	Very high	98.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.192	C	C	.	.			trans	-154.7	38	-177	0	0	0	0	0	113	Q488 V489 G490 G508 V509 S512	G467-Q488 WeakPolarHBondContact CA-O 3.47Å; G467-V489 CarbonylContact O-C 3.55Å; G467-V489 WeakPolarHBondContact O-CA 3.17Å; G467-G490 PolarHBondContact O-N 3.49Å; G467-G508 CarbonylContact O-C 3.43Å; G467-G508 VanDerWaalsContact O-CA 3.26Å; G467-G508 WeakPolarHBondContact O-CA 3.44Å; G467-V509 PolarHBondContact O-N 3.18Å; G467-S512 PolarHBondContact N-OG 2.76Å
468	L	98.3	Very high	98.1	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.218	C	C	.	.	S	Bend	trans	-78.8	-65.5	-177.9	-173	57.6	0	0	0	112.3	C333 I334 G490 M491 F506 S512	C333-L468 HydrophobicContact CB-CD2 3.64Å; I334-L468 HydrophobicContact CG2-CD2 3.71Å; I334-L468 HydrophobicContact CG2-CG 3.97Å; L468-G490 PolarHBondContact O-N 3.18Å; L468-M491 HydrophobicContact CD1-CE 3.65Å; L468-M491 HydrophobicContact CG-CE 3.89Å; L468-M491 PolarHBondContact O-N 2.98Å; L468-M491 VanDerWaalsContact O-N 3.14Å; L468-F506 HydrophobicContact CD1-CE1 4.44Å; L468-S512 PolarHBondContact N-OG 3.09Å
469	A	98.5	Very high	98.1	Very high	2 Å²	2	40 Å²	40	2%	0.017	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.8	-178.6	0	0	0	0	0	111	A304 P305 I334 Y471 M491 V499	A304-A469 WeakPolarHBondContact CA-O 3.19Å; A304-A469 HydrophobicContact CB-CB 4.48Å; A304-A469 WeakPolarHBondContact CB-O 3.43Å; P305-A469 WeakPolarHBondContact CD-O 3.43Å; I334-A469 HydrophobicContact CB-CB 4.06Å; I334-A469 HydrophobicContact CG2-CB 3.86Å; A469-Y471 HydrophobicContact CB-CE2 4.36Å; A469-M491 CarbonylContact C-O 3.49Å; A469-M491 VanDerWaalsContact CA-O 3.24Å; A469-M491 WeakPolarHBondContact CA-O 3.48Å; A469-M491 HydrophobicContact CB-CB 4.48Å; A469-M491 HydrophobicContact CB-CE 4.41Å; A469-V499 HydrophobicContact CB-CG2 4.18Å
470	G	98.5	Very high	98.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154	169.5	0	0	0	0	0	111.1	P305 M491 V492 G493	P305-G470 WeakPolarHBondContact O-CA 3.23Å; G470-M491 PolarHBondContact N-O 2.82Å; G470-V492 CarbonylContact O-C 3.43Å; G470-V492 VanDerWaalsContact O-CA 3.31Å; G470-V492 WeakPolarHBondContact O-CA 3.4Å; G470-G493 PolarHBondContact O-N 3.33Å
471	Y	98.8	Very high	98	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.9	-175.3	-53.3	-82.8	0	0	0	110.3	A304 P305 F306 I307 C324 I334 A469 G493 T496 G497 V499	A304-Y471 HydrophobicContact CB-CD2 4.27Å; A304-Y471 HydrophobicContact CB-CE2 3.85Å; P305-Y471 PolarHBondContact O-N 3.2Å; F306-Y471 HydrophobicContact CB-CD2 4.45Å; F306-Y471 VanDerWaalsContact CD2-CB 3.49Å; F306-Y471 AromaticContact CD2-CD2 3.95Å; F306-Y471 HydrophobicContact CD2-CD2 3.95Å; F306-Y471 AromaticContact CD2-CG 3.82Å; F306-Y471 HydrophobicContact CD2-CG 3.82Å; F306-Y471 HydrophobicContact CE2-CG 4.41Å; I307-Y471 PolarHBondContact N-O 3.38Å; C324-Y471 WeakPolarHBondContact SG-CE2 3.35Å; I334-Y471 WeakPolarHBondContact O-CE2 3.45Å; I334-Y471 PolarHBondContact O-OH 2.93Å; A469-Y471 HydrophobicContact CB-CE2 4.36Å; Y471-G493 WeakPolarHBondContact CA-O 3.4Å; Y471-T496 VanDerWaalsContact CD1-O 3.29Å; Y471-T496 WeakPolarHBondContact CD1-O 3.26Å; Y471-G497 WeakPolarHBondContact CE1-O 3.44Å; Y471-V499 HydrophobicContact CD1-CG1 4.34Å; Y471-V499 HydrophobicContact CE1-CG1 3.75Å; Y471-V499 HydrophobicContact CE1-CG2 4.2Å
472	I	98.7	Very high	98	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.9	-178.2	-53.5	159.9	0	0	0	108.3	I307 F309 T474 I483 L487 V492 G493 L494 N495	I307-I472 CarbonylContact O-C 3.59Å; I307-I472 WeakPolarHBondContact O-CA 3.49Å; F309-I472 HydrophobicContact CD2-CG2 4.23Å; F309-I472 HydrophobicContact CE2-CG2 4.07Å; I472-T474 HydrophobicContact CG2-CG2 3.93Å; I472-I483 HydrophobicContact CD1-CB 3.85Å; I472-I483 HydrophobicContact CD1-CG2 3.48Å; I472-I483 VanDerWaalsContact CD1-CG2 3.48Å; I472-I483 HydrophobicContact CG1-CG2 3.92Å; I472-I483 HydrophobicContact CG2-CD1 4.5Å; I472-L487 HydrophobicContact CD1-CD1 3.79Å; I472-L487 HydrophobicContact CG1-CD1 3.83Å; I472-V492 HydrophobicContact CD1-CG1 3.79Å; I472-V492 HydrophobicContact CG1-CG1 4.41Å; I472-G493 PolarHBondContact N-O 2.89Å; I472-L494 HydrophobicContact CB-CD2 3.77Å; I472-L494 HydrophobicContact CD1-CD2 3.71Å; I472-L494 HydrophobicContact CG1-CD2 4.27Å; I472-L494 HydrophobicContact CG2-CD2 4.36Å; I472-N495 PolarHBondContact O-N 3.37Å
473	Y	98.8	Very high	98	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.4	172.4	-79.4	-101.9	0	0	0	109.2	F306 I307 F309 A312 K316 A317 G320 N495 T496 G497	F306-Y473 HydrophobicContact CD2-CE2 4.38Å; F306-Y473 AromaticContact CE1-CD2 3.75Å; F306-Y473 HydrophobicContact CE1-CD2 3.75Å; F306-Y473 AromaticContact CE1-CE2 3.91Å; F306-Y473 HydrophobicContact CE1-CE2 3.91Å; F306-Y473 HydrophobicContact CE2-CD2 4.01Å; F306-Y473 AromaticContact CE2-CE2 3.39Å; F306-Y473 HydrophobicContact CE2-CE2 3.39Å; F306-Y473 AromaticContact CZ-CD2 3.44Å; F306-Y473 HydrophobicContact CZ-CD2 3.44Å; F306-Y473 VanDerWaalsContact CZ-CD2 3.44Å; F306-Y473 AromaticContact CZ-CE2 3.09Å; F306-Y473 HydrophobicContact CZ-CE2 3.09Å; F306-Y473 HydrophobicContact CZ-CG 4.39Å; F306-Y473 AromaticContact CZ-CZ 3.78Å; I307-Y473 PolarHBondContact O-N 2.87Å; F309-Y473 PolarHBondContact N-O 3.37Å; A312-Y473 WeakPolarHBondContact CB-O 3.08Å; K316-Y473 HydrophobicContact CB-CE1 4.45Å; K316-Y473 HydrophobicContact CD-CE1 4.39Å; K316-Y473 HydrophobicContact CG-CE1 4.13Å; K316-Y473 WeakPolarHBondContact O-CE1 3.42Å; A317-Y473 VanDerWaalsContact CA-CD1 3.41Å; A317-Y473 HydrophobicContact CB-CD1 3.64Å; A317-Y473 HydrophobicContact CB-CE1 4.25Å; A317-Y473 HydrophobicContact CB-CG 3.84Å; G320-Y473 WeakPolarHBondContact CA-OH 3.45Å; Y473-N495 VanDerWaalsContact CA-OD1 3.28Å; Y473-N495 WeakPolarHBondContact CA-OD1 3.35Å; Y473-N495 HydrophobicContact CD1-CB 4.46Å; Y473-T496 WeakPolarHBondContact OH-CA 3.45Å; Y473-T496 PolarHBondContact OH-N 3.49Å; Y473-G497 PolarHBondContact OH-N 3.31Å; Y473-G497 VanDerWaalsContact OH-N 3.07Å
474	T	98.7	Very high	98	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	20%	0.196	C	C	.	.			trans	-166.1	143.6	-178.4	180	0	0	0	0	109	S311 I472 N476 Q479 A480 N495	S311-T474 PolarHBondContact OG-OG1 2.91Å; I472-T474 HydrophobicContact CG2-CG2 3.93Å; T474-N476 PolarHBondContact OG1-N 3.29Å; T474-N476 VanDerWaalsContact OG1-N 3.1Å; T474-Q479 HydrophobicContact CG2-CG 4.43Å; T474-Q479 PolarHBondContact OG1-OE1 3.29Å; T474-A480 HydrophobicContact CG2-CB 3.79Å; T474-N495 PolarHBondContact N-OD1 2.93Å; T474-N495 PolarHBondContact O-ND2 3.22Å; T474-N495 PolarHBondContact O-OD1 2.75Å
475	E	98.4	Very high	98.1	Very high	118 Å²	118	46 Å²	46	55%	0.551	22%	0.224	S	C	*	.	S	Bend	trans	-92.3	-3.1	170.2	-64.2	-67.7	157.5	0	0	111.7	S311 I477	S311-E475 VanDerWaalsContact O-CB 3.28Å; S311-E475 WeakPolarHBondContact O-CB 3.04Å; S311-E475 WeakPolarHBondContact O-CG 3.17Å; S311-E475 PolarHBondContact O-N 3.24Å; E475-I477 PolarHBondContact O-N 2.91Å
476	N	98.1	Very high	98.1	Very high	67 Å²	67	48.1 Å²	48.1	36%	0.358	23%	0.228	S	C	.	.			trans	-86.6	105.9	175	-177.5	-23.4	0	0	0	110.6	T474 N478 Q479 A480	T474-N476 PolarHBondContact OG1-N 3.29Å; T474-N476 VanDerWaalsContact OG1-N 3.1Å; N476-N478 VanDerWaalsContact C-N 3.3Å; N476-N478 PolarHBondContact O-N 2.91Å; N476-N478 WeakPolarHBondContact OD1-CB 3.49Å; N476-N478 PolarHBondContact OD1-N 3.03Å; N476-Q479 HydrophobicContact CB-CB 3.81Å; N476-Q479 WeakPolarHBondContact O-CB 3.39Å; N476-Q479 PolarHBondContact O-N 3.25Å; N476-Q479 PolarHBondContact OD1-N 3.34Å; N476-Q479 VanDerWaalsContact OD1-N 3.11Å; N476-A480 PolarHBondContact O-N 3.32Å
477	I	97.5	Very high	98.2	Very high	114 Å²	114	46.3 Å²	46.3	59%	0.585	22%	0.222	S	C	*	.	H	α-helix	trans	-60.8	-35.6	-178.3	-167.2	166.4	0	0	0	113.4	E475 A480 W481	E475-I477 PolarHBondContact O-N 2.91Å; I477-A480 WeakPolarHBondContact O-CB 3.32Å; I477-A480 PolarHBondContact O-N 3.42Å; I477-W481 PolarHBondContact O-N 3.28Å; I477-W481 VanDerWaalsContact O-N 3.14Å
478	N	98.1	Very high	98.2	Very high	104 Å²	104	51.1 Å²	51.1	56%	0.556	24%	0.244	S	C	*	.	H	α-helix	trans	-70	-38.8	179.2	-64.7	-35.3	0	0	0	110.7	N476 R482	N476-N478 VanDerWaalsContact C-N 3.3Å; N476-N478 PolarHBondContact O-N 2.91Å; N476-N478 WeakPolarHBondContact OD1-CB 3.49Å; N476-N478 PolarHBondContact OD1-N 3.03Å; N478-R482 WeakPolarHBondContact O-CG 3.45Å; N478-R482 PolarHBondContact O-N 2.86Å; N478-R482 VanDerWaalsContact O-N 3.08Å
479	Q	98	Very high	98.2	Very high	16 Å²	16	52.1 Å²	52.1	8%	0.075	25%	0.25	C	C	.	.	H	α-helix	trans	-64.8	-41.3	172.9	178.6	172	75.9	0	0	111.4	F309 E454 T474 N476 W481 R482 I483	F309-Q479 HydrophobicContact CD2-CG 4.47Å; F309-Q479 HydrophobicContact CE2-CG 4.46Å; E454-Q479 WeakPolarHBondContact OE2-CG 3.26Å; E454-Q479 PolarHBondContact OE2-NE2 3.21Å; T474-Q479 HydrophobicContact CG2-CG 4.43Å; T474-Q479 PolarHBondContact OG1-OE1 3.29Å; N476-Q479 HydrophobicContact CB-CB 3.81Å; N476-Q479 WeakPolarHBondContact O-CB 3.39Å; N476-Q479 PolarHBondContact O-N 3.25Å; N476-Q479 PolarHBondContact OD1-N 3.34Å; N476-Q479 VanDerWaalsContact OD1-N 3.11Å; Q479-W481 VanDerWaalsContact C-N 3.35Å; Q479-W481 PolarHBondContact O-N 3.2Å; Q479-R482 PolarHBondContact O-N 3.01Å; Q479-I483 HydrophobicContact CG-CD1 3.39Å; Q479-I483 HydrophobicContact CG-CG1 4.22Å; Q479-I483 WeakPolarHBondContact O-CB 3.4Å; Q479-I483 VanDerWaalsContact O-CG1 3.23Å; Q479-I483 WeakPolarHBondContact O-CG1 3.42Å; Q479-I483 PolarHBondContact O-N 3.05Å
480	A	97.6	Very high	98.1	Very high	7 Å²	7	53.4 Å²	53.4	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-57.6	-46	177.5	0	0	0	0	0	112.2	T474 N476 I477 S484 L494	T474-A480 HydrophobicContact CG2-CB 3.79Å; N476-A480 PolarHBondContact O-N 3.32Å; I477-A480 WeakPolarHBondContact O-CB 3.32Å; I477-A480 PolarHBondContact O-N 3.42Å; A480-S484 VanDerWaalsContact O-CB 3.32Å; A480-S484 WeakPolarHBondContact O-CB 3.36Å; A480-S484 PolarHBondContact O-N 2.63Å; A480-S484 VanDerWaalsContact O-N 3.1Å; A480-S484 PolarHBondContact O-OG 2.69Å; A480-L494 HydrophobicContact CB-CD1 4.21Å; A480-L494 HydrophobicContact CB-CD2 4.09Å
481	W	97.3	Very high	98.1	Very high	151 Å²	151	54.1 Å²	54.1	57%	0.572	27%	0.267	S	S	*	.	H	α-helix	trans	-69.1	-50.3	178.3	-73.4	112.5	0	0	0	112.8	I477 Q479 I483 S484 D485	I477-W481 PolarHBondContact O-N 3.28Å; I477-W481 VanDerWaalsContact O-N 3.14Å; Q479-W481 VanDerWaalsContact C-N 3.35Å; Q479-W481 PolarHBondContact O-N 3.2Å; W481-I483 VanDerWaalsContact C-N 3.31Å; W481-I483 PolarHBondContact O-N 3.18Å; W481-S484 WeakPolarHBondContact O-CB 3.1Å; W481-S484 PolarHBondContact O-N 3.04Å; W481-S484 VanDerWaalsContact O-N 3.11Å; W481-D485 PolarHBondContact O-N 3.16Å
482	R	97.8	Very high	98.1	Very high	114 Å²	114	56.5 Å²	56.5	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-54.6	-47.5	179.8	-74.6	-168.4	-50.9	-91.2	-0.2	112	E454 N478 Q479 D485 E486	E454-R482 IonicContact OE1-CZ 2.7Å; E454-R482 IonicContact OE1-NE 3.63Å; E454-R482 PolarHBondContact OE1-NE 3.16Å; E454-R482 IonicContact OE1-NH2 3.03Å; E454-R482 PolarHBondContact OE1-NH2 3.28Å; E454-R482 IonicContact OE2-NH2 2.66Å; E454-R482 PolarHBondContact OE2-NH2 2.87Å; N478-R482 WeakPolarHBondContact O-CG 3.45Å; N478-R482 PolarHBondContact O-N 2.86Å; N478-R482 VanDerWaalsContact O-N 3.08Å; Q479-R482 PolarHBondContact O-N 3.01Å; R482-D485 PolarHBondContact O-N 2.94Å; R482-E486 VanDerWaalsContact O-CG 3.31Å; R482-E486 WeakPolarHBondContact O-CG 3.4Å; R482-E486 PolarHBondContact O-N 2.99Å; R482-E486 VanDerWaalsContact O-N 3.12Å
483	I	98	Very high	98.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-71.2	-35.5	-178.4	-59.4	171	0	0	0	110.8	I307 F309 E454 I458 I472 Q479 W481 D485 E486 L487	I307-I483 HydrophobicContact CD1-CG2 4.43Å; F309-I483 HydrophobicContact CD2-CD1 4.12Å; F309-I483 HydrophobicContact CE1-CD1 4.05Å; F309-I483 HydrophobicContact CE2-CD1 3.1Å; F309-I483 HydrophobicContact CZ-CD1 3.07Å; F309-I483 HydrophobicContact CZ-CG1 4.4Å; E454-I483 HydrophobicContact CG-CD1 3.97Å; E454-I483 HydrophobicContact CG-CG1 3.96Å; I458-I483 HydrophobicContact CD1-CG1 4.28Å; I458-I483 HydrophobicContact CG1-CG2 4.42Å; I472-I483 HydrophobicContact CD1-CB 3.85Å; I472-I483 HydrophobicContact CD1-CG2 3.48Å; I472-I483 VanDerWaalsContact CD1-CG2 3.48Å; I472-I483 HydrophobicContact CG1-CG2 3.92Å; I472-I483 HydrophobicContact CG2-CD1 4.5Å; Q479-I483 HydrophobicContact CG-CD1 3.39Å; Q479-I483 HydrophobicContact CG-CG1 4.22Å; Q479-I483 WeakPolarHBondContact O-CB 3.4Å; Q479-I483 VanDerWaalsContact O-CG1 3.23Å; Q479-I483 WeakPolarHBondContact O-CG1 3.42Å; Q479-I483 PolarHBondContact O-N 3.05Å; W481-I483 VanDerWaalsContact C-N 3.31Å; W481-I483 PolarHBondContact O-N 3.18Å; I483-D485 PolarHBondContact O-N 3.45Å; I483-E486 PolarHBondContact O-N 2.85Å; I483-L487 HydrophobicContact CG2-CD1 4.13Å; I483-L487 HydrophobicContact CG2-CD2 4.46Å; I483-L487 HydrophobicContact CG2-CG 3.92Å; I483-L487 WeakPolarHBondContact O-CG 3.38Å; I483-L487 PolarHBondContact O-N 2.92Å
484	S	98	Very high	98	Very high	22 Å²	22	59.3 Å²	59.3	15%	0.154	30%	0.297	C	S	.	.	H	α-helix	trans	-59.6	-38.7	175.2	-62.5	0	0	0	0	112	A480 W481 L494	A480-S484 VanDerWaalsContact O-CB 3.32Å; A480-S484 WeakPolarHBondContact O-CB 3.36Å; A480-S484 PolarHBondContact O-N 2.63Å; A480-S484 VanDerWaalsContact O-N 3.1Å; A480-S484 PolarHBondContact O-OG 2.69Å; W481-S484 WeakPolarHBondContact O-CB 3.1Å; W481-S484 PolarHBondContact O-N 3.04Å; W481-S484 VanDerWaalsContact O-N 3.11Å; S484-L494 WeakPolarHBondContact OG-CD2 3.46Å
485	D	97.7	Very high	98	Very high	130 Å²	130	60.7 Å²	60.7	70%	0.695	30%	0.304	S	S	*	.	H	α-helix	trans	-71.1	-35.4	177.4	-68.6	-20.5	0	0	0	112.1	W481 R482 I483	W481-D485 PolarHBondContact O-N 3.16Å; R482-D485 PolarHBondContact O-N 2.94Å; I483-D485 PolarHBondContact O-N 3.45Å
486	E	98.3	Very high	98	Very high	111 Å²	111	57.4 Å²	57.4	52%	0.519	29%	0.292	S	S	.	.	H	α-helix	trans	-82.9	-24.4	-177.4	-68.9	-66	144.7	0	0	114.1	I458 N462 R482 I483 Q488	I458-E486 HydrophobicContact CD1-CB 4.03Å; I458-E486 HydrophobicContact CD1-CG 4.21Å; I458-E486 HydrophobicContact CG1-CB 4.34Å; I458-E486 HydrophobicContact CG2-CB 3.89Å; N462-E486 PolarHBondContact ND2-O 3.41Å; R482-E486 VanDerWaalsContact O-CG 3.31Å; R482-E486 WeakPolarHBondContact O-CG 3.4Å; R482-E486 PolarHBondContact O-N 2.99Å; R482-E486 VanDerWaalsContact O-N 3.12Å; I483-E486 PolarHBondContact O-N 2.85Å; E486-Q488 PolarHBondContact O-N 3.2Å
487	L	98.5	Very high	97.8	Very high	9 Å²	9	54.2 Å²	54.2	5%	0.047	28%	0.276	C	S	.	.			trans	-70.2	120.9	177.6	-75	-175.9	0	0	0	111.2	I307 A461 I472 I483 V489	I307-L487 HydrophobicContact CD1-CD1 4.31Å; I307-L487 HydrophobicContact CD1-CD2 4.07Å; A461-L487 HydrophobicContact CB-CD2 3.58Å; I472-L487 HydrophobicContact CD1-CD1 3.79Å; I472-L487 HydrophobicContact CG1-CD1 3.83Å; I483-L487 HydrophobicContact CG2-CD1 4.13Å; I483-L487 HydrophobicContact CG2-CD2 4.46Å; I483-L487 HydrophobicContact CG2-CG 3.92Å; I483-L487 WeakPolarHBondContact O-CG 3.38Å; I483-L487 PolarHBondContact O-N 2.92Å; L487-V489 HydrophobicContact CB-CG2 4.03Å; L487-V489 PolarHBondContact O-N 2.78Å
488	Q	98.5	Very high	97.7	Very high	101 Å²	101	54.8 Å²	54.8	47%	0.472	27%	0.274	S	S	.	.			trans	-83.9	60.8	-179.9	-59.6	172.2	-3.6	0	0	111	N462 G467 E486 V509	N462-Q488 HydrophobicContact CB-CG 4.5Å; N462-Q488 WeakPolarHBondContact OD1-CB 3.25Å; N462-Q488 PolarHBondContact OD1-N 3.2Å; G467-Q488 WeakPolarHBondContact CA-O 3.47Å; E486-Q488 PolarHBondContact O-N 3.2Å; Q488-V509 VanDerWaalsContact O-CG2 3.24Å; Q488-V509 WeakPolarHBondContact O-CG2 3.23Å
489	V	98.4	Very high	97.5	Very high	22 Å²	22	50.8 Å²	50.8	13%	0.133	25%	0.253	C	S	.	.			trans	-128.3	154.8	179.1	-60.7	0	0	0	0	110.4	G467 L487 M491 V492	G467-V489 CarbonylContact O-C 3.55Å; G467-V489 WeakPolarHBondContact O-CA 3.17Å; L487-V489 HydrophobicContact CB-CG2 4.03Å; L487-V489 PolarHBondContact O-N 2.78Å; V489-M491 WeakPolarHBondContact CG2-O 3.45Å; V489-V492 HydrophobicContact CG2-CG2 3.59Å
490	G	97.2	Very high	97.3	Very high	30 Å²	30	52.1 Å²	52.1	31%	0.309	27%	0.265	S	S	.	.	S	Bend	trans	-78.6	-21.1	178.9	0	0	0	0	0	114.4	G467 L468 G507	G467-G490 PolarHBondContact O-N 3.49Å; L468-G490 PolarHBondContact O-N 3.18Å; G490-G507 WeakPolarHBondContact CA-O 3.2Å
491	M	97.8	Very high	97.2	Very high	15 Å²	15	54.3 Å²	54.3	7%	0.074	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	133.3	-178.9	-62.6	173.6	-76.2	0	0	111.2	I334 L468 A469 G470 V489 V499 F506	I334-M491 HydrophobicContact CG2-CE 4.13Å; L468-M491 HydrophobicContact CD1-CE 3.65Å; L468-M491 HydrophobicContact CG-CE 3.89Å; L468-M491 PolarHBondContact O-N 2.98Å; L468-M491 VanDerWaalsContact O-N 3.14Å; A469-M491 CarbonylContact C-O 3.49Å; A469-M491 VanDerWaalsContact CA-O 3.24Å; A469-M491 WeakPolarHBondContact CA-O 3.48Å; A469-M491 HydrophobicContact CB-CB 4.48Å; A469-M491 HydrophobicContact CB-CE 4.41Å; G470-M491 PolarHBondContact N-O 2.82Å; V489-M491 WeakPolarHBondContact CG2-O 3.45Å; M491-V499 HydrophobicContact CB-CB 4.24Å; M491-V499 HydrophobicContact CB-CG2 4.33Å; M491-V499 HydrophobicContact SD-CG2 4.34Å; M491-F506 HydrophobicContact CE-CD1 4.36Å; M491-F506 HydrophobicContact CE-CD2 3.82Å; M491-F506 HydrophobicContact CE-CE1 4.31Å; M491-F506 HydrophobicContact CE-CE2 3.76Å; M491-F506 HydrophobicContact CE-CG 4.13Å; M491-F506 HydrophobicContact CE-CZ 4.02Å; M491-F506 HydrophobicContact SD-CB 4.26Å; M491-F506 HydrophobicContact SD-CD2 3.52Å; M491-F506 VanDerWaalsContact SD-CD2 3.52Å; M491-F506 HydrophobicContact SD-CE2 3.99Å; M491-F506 HydrophobicContact SD-CG 3.94Å
492	V	98.4	Very high	97.1	Very high	50 Å²	50	48.4 Å²	48.4	30%	0.303	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128	177.6	178.6	0	0	0	0	110.7	G470 I472 V489 L494	G470-V492 CarbonylContact O-C 3.43Å; G470-V492 VanDerWaalsContact O-CA 3.31Å; G470-V492 WeakPolarHBondContact O-CA 3.4Å; I472-V492 HydrophobicContact CD1-CG1 3.79Å; I472-V492 HydrophobicContact CG1-CG1 4.41Å; V489-V492 HydrophobicContact CG2-CG2 3.59Å; V492-L494 HydrophobicContact CG1-CD2 4.04Å; V492-L494 HydrophobicContact CG1-CG 4.22Å
493	G	98.2	Very high	97	Very high	2 Å²	2	47.2 Å²	47.2	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	107.2	170.4	0	0	0	0	0	111.3	G470 Y471 I472 V499	G470-G493 PolarHBondContact O-N 3.33Å; Y471-G493 WeakPolarHBondContact CA-O 3.4Å; I472-G493 PolarHBondContact N-O 2.89Å; G493-V499 VanDerWaalsContact CA-CG1 3.48Å
494	L	98	Very high	96.9	Very high	61 Å²	61	51.7 Å²	51.7	32%	0.319	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	116.7	175.4	-69.3	-177.4	0	0	0	111.3	I472 A480 S484 V492 T496	I472-L494 HydrophobicContact CB-CD2 3.77Å; I472-L494 HydrophobicContact CD1-CD2 3.71Å; I472-L494 HydrophobicContact CG1-CD2 4.27Å; I472-L494 HydrophobicContact CG2-CD2 4.36Å; A480-L494 HydrophobicContact CB-CD1 4.21Å; A480-L494 HydrophobicContact CB-CD2 4.09Å; S484-L494 WeakPolarHBondContact OG-CD2 3.46Å; V492-L494 HydrophobicContact CG1-CD2 4.04Å; V492-L494 HydrophobicContact CG1-CG 4.22Å; L494-T496 PolarHBondContact O-N 2.95Å; L494-T496 VanDerWaalsContact O-N 3.13Å
495	N	98	Very high	96.8	Very high	30 Å²	30	53.3 Å²	53.3	16%	0.16	29%	0.289	C	S	.	.	S	Bend	trans	51.8	32.3	-177.5	-65.1	-53	0	0	0	113.3	K316 I472 Y473 T474	K316-N495 HydrophobicContact CD-CB 4.37Å; K316-N495 WeakPolarHBondContact CE-O 3.36Å; K316-N495 PolarHBondContact NZ-O 2.87Å; I472-N495 PolarHBondContact O-N 3.37Å; Y473-N495 VanDerWaalsContact CA-OD1 3.28Å; Y473-N495 WeakPolarHBondContact CA-OD1 3.35Å; Y473-N495 HydrophobicContact CD1-CB 4.46Å; T474-N495 PolarHBondContact N-OD1 2.93Å; T474-N495 PolarHBondContact O-ND2 3.22Å; T474-N495 PolarHBondContact O-OD1 2.75Å
496	T	97.8	Very high	96.8	Very high	49 Å²	49	47.6 Å²	47.6	30%	0.301	26%	0.259	S	S	.	.			trans	-151.8	142	178.3	-178.7	0	0	0	0	110.3	Y471 Y473 L494 F498	Y471-T496 VanDerWaalsContact CD1-O 3.29Å; Y471-T496 WeakPolarHBondContact CD1-O 3.26Å; Y473-T496 WeakPolarHBondContact OH-CA 3.45Å; Y473-T496 PolarHBondContact OH-N 3.49Å; L494-T496 PolarHBondContact O-N 2.95Å; L494-T496 VanDerWaalsContact O-N 3.13Å; T496-F498 VanDerWaalsContact C-N 3.25Å; T496-F498 WeakPolarHBondContact CG2-O 3.4Å; T496-F498 PolarHBondContact OG1-N 3.3Å
497	G	95.6	Very high	96.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.01	23%	0.234	C	C	.	.	S	Bend	trans	-86.1	7.4	171.9	0	0	0	0	0	113.6	Y471 Y473	Y471-G497 WeakPolarHBondContact CE1-O 3.44Å; Y473-G497 PolarHBondContact OH-N 3.31Å; Y473-G497 VanDerWaalsContact OH-N 3.07Å
498	F	93.6	Very high	96.5	Very high	126 Å²	126	42 Å²	42	55%	0.553	23%	0.233	S	C	*	.			trans	-119.8	123.2	-173.7	-60.1	-78	0	0	0	111.1	T496	T496-F498 VanDerWaalsContact C-N 3.25Å; T496-F498 WeakPolarHBondContact CG2-O 3.4Å; T496-F498 PolarHBondContact OG1-N 3.3Å
499	V	95.1	Very high	96.5	Very high	19 Å²	19	39.6 Å²	39.6	12%	0.115	23%	0.225	C	C	.	.			trans	-129.3	-7.3	178.7	-67.8	0	0	0	0	113.6	I334 A469 Y471 M491 G493	I334-V499 HydrophobicContact CD1-CG2 3.95Å; A469-V499 HydrophobicContact CB-CG2 4.18Å; Y471-V499 HydrophobicContact CD1-CG1 4.34Å; Y471-V499 HydrophobicContact CE1-CG1 3.75Å; Y471-V499 HydrophobicContact CE1-CG2 4.2Å; M491-V499 HydrophobicContact CB-CB 4.24Å; M491-V499 HydrophobicContact CB-CG2 4.33Å; M491-V499 HydrophobicContact SD-CG2 4.34Å; G493-V499 VanDerWaalsContact CA-CG1 3.48Å
500	S	93.4	Very high	96.5	Very high	45 Å²	45	42 Å²	42	32%	0.315	23%	0.234	S	C	.	.			trans	-96.4	107.7	-175.9	177	0	0	0	0	110.6	R203	R203-S500 PolarHBondContact NH2-OG 3.23Å
501	T	94.6	Very high	96.5	Very high	53 Å²	53	44.7 Å²	44.7	33%	0.325	24%	0.241	S	C	.	.			trans	-132.6	163.4	166.6	71	0	0	0	0	109.4	E503	T501-E503 VanDerWaalsContact CB-CD 3.47Å; T501-E503 WeakPolarHBondContact CB-OE1 3.41Å; T501-E503 WeakPolarHBondContact CB-OE2 3.38Å; T501-E503 PolarHBondContact OG1-OE1 3.48Å; T501-E503 PolarHBondContact OG1-OE2 2.89Å
502	I	96.2	Very high	96.5	Very high	26 Å²	26	44 Å²	44	13%	0.133	24%	0.237	C	C	.	.	S	Bend	trans	-80.8	-26.6	-174.2	-173.7	62.7	0	0	0	112.3	A152 W155 Y156 L504 G519	A152-I502 HydrophobicContact CB-CD1 3.88Å; A152-I502 HydrophobicContact CB-CG1 4.48Å; W155-I502 HydrophobicContact CB-CB 4.47Å; W155-I502 HydrophobicContact CB-CD1 4.47Å; W155-I502 HydrophobicContact CB-CG1 3.46Å; W155-I502 VanDerWaalsContact CB-CG1 3.46Å; W155-I502 HydrophobicContact CB-CG2 4.14Å; W155-I502 HydrophobicContact CD2-CG1 4.28Å; W155-I502 HydrophobicContact CD2-CG2 4.42Å; W155-I502 HydrophobicContact CE3-CG2 4.37Å; W155-I502 HydrophobicContact CG-CG1 3.56Å; W155-I502 HydrophobicContact CG-CG2 4.35Å; Y156-I502 HydrophobicContact CE2-CD1 3.96Å; I502-L504 VanDerWaalsContact C-N 3.3Å; I502-G519 WeakPolarHBondContact O-CA 3.36Å; I502-G519 PolarHBondContact O-N 3.08Å
503	E	95.2	Very high	96.4	Very high	89 Å²	89	41.9 Å²	41.9	42%	0.416	23%	0.226	S	C	.	.	S	Bend	trans	-81.2	-9.6	-178	68.5	-76.9	177.1	0	0	113.6	W155 T501 G519	W155-E503 HydrophobicContact CE3-CB 4.13Å; W155-E503 HydrophobicContact CH2-CB 3.44Å; W155-E503 VanDerWaalsContact CH2-CB 3.44Å; W155-E503 HydrophobicContact CZ2-CB 4.06Å; W155-E503 HydrophobicContact CZ3-CB 3.48Å; W155-E503 VanDerWaalsContact CZ3-CB 3.48Å; T501-E503 VanDerWaalsContact CB-CD 3.47Å; T501-E503 WeakPolarHBondContact CB-OE1 3.41Å; T501-E503 WeakPolarHBondContact CB-OE2 3.38Å; T501-E503 PolarHBondContact OG1-OE1 3.48Å; T501-E503 PolarHBondContact OG1-OE2 2.89Å; E503-G519 WeakPolarHBondContact O-CA 3.35Å
504	L	95.9	Very high	96.3	Very high	94 Å²	94	45.1 Å²	45.1	49%	0.492	24%	0.242	S	C	.	.	S	Bend	trans	-107.6	148.1	176.4	-64.3	179.7	0	0	0	111.4	I502 F506 G518 G519	I502-L504 VanDerWaalsContact C-N 3.3Å; L504-F506 PolarHBondContact O-N 3.34Å; L504-G518 CarbonylContact O-C 3.08Å; L504-G519 PolarHBondContact O-N 2.91Å
505	P	96	Very high	96.2	Very high	56 Å²	56	43 Å²	43	36%	0.364	24%	0.235	S	C	.	.			trans	-59.9	129.4	168.8	-20.6	32.7	0	0	0	111.1	R516 E517	P505-R516 HydrophobicContact CB-CB 4.15Å; P505-R516 HydrophobicContact CB-CG 4.19Å; P505-E517 CarbonylContact C-O 3.59Å
506	F	97.2	Very high	96.1	Very high	11 Å²	11	44.8 Å²	44.8	5%	0.048	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-110.9	122.4	173.3	-172.7	-81.3	0	0	0	108	R203 E299 I334 L468 M491 L504 R516 E517	R203-F506 VanDerWaalsContact NH1-CG 3.34Å; E299-F506 HydrophobicContact CG-CD1 4.46Å; E299-F506 WeakPolarHBondContact OE2-CD1 3.42Å; E299-F506 WeakPolarHBondContact OE2-CE1 3.2Å; I334-F506 HydrophobicContact CD1-CE2 4.49Å; I334-F506 HydrophobicContact CG2-CE2 4.07Å; I334-F506 HydrophobicContact CG2-CZ 3.91Å; L468-F506 HydrophobicContact CD1-CE1 4.44Å; M491-F506 HydrophobicContact CE-CD1 4.36Å; M491-F506 HydrophobicContact CE-CD2 3.82Å; M491-F506 HydrophobicContact CE-CE1 4.31Å; M491-F506 HydrophobicContact CE-CE2 3.76Å; M491-F506 HydrophobicContact CE-CG 4.13Å; M491-F506 HydrophobicContact CE-CZ 4.02Å; M491-F506 HydrophobicContact SD-CB 4.26Å; M491-F506 HydrophobicContact SD-CD2 3.52Å; M491-F506 VanDerWaalsContact SD-CD2 3.52Å; M491-F506 HydrophobicContact SD-CE2 3.99Å; M491-F506 HydrophobicContact SD-CG 3.94Å; L504-F506 PolarHBondContact O-N 3.34Å; F506-R516 CarbonylContact O-C 3.6Å; F506-R516 WeakPolarHBondContact O-CA 3.25Å; F506-E517 WeakPolarHBondContact CA-O 3.32Å; F506-E517 HydrophobicContact CB-CB 4.49Å; F506-E517 VanDerWaalsContact CB-O 3.29Å; F506-E517 WeakPolarHBondContact CB-O 3.41Å; F506-E517 PolarHBondContact N-O 2.88Å; F506-E517 PolarHBondContact O-N 3.12Å
507	G	96	Very high	96	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.			trans	160.7	164.7	172.8	0	0	0	0	0	113.2	E299 G490	E299-G507 WeakPolarHBondContact OE1-CA 3.42Å; E299-G507 WeakPolarHBondContact OE2-CA 3.38Å; G490-G507 WeakPolarHBondContact CA-O 3.2Å
508	G	96.3	Very high	95.8	Very high	2 Å²	2	42.7 Å²	42.7	2%	0.021	23%	0.226	C	C	.	.			trans	-102.7	177.2	-170.9	0	0	0	0	0	115.4	G467 R516	G467-G508 CarbonylContact O-C 3.43Å; G467-G508 VanDerWaalsContact O-CA 3.26Å; G467-G508 WeakPolarHBondContact O-CA 3.44Å; G508-R516 VanDerWaalsContact O-CZ 3.31Å; G508-R516 PolarHBondContact O-NH1 2.95Å; G508-R516 PolarHBondContact O-NH2 3.4Å; G508-R516 VanDerWaalsContact O-NH2 3.08Å
509	V	97.5	Very high	95.7	Very high	51 Å²	51	36.7 Å²	36.7	31%	0.309	20%	0.2	S	C	.	.	S	Bend	trans	-117.7	179.5	163.6	-61.4	0	0	0	0	109.3	G467 Q488 N511 S512	G467-V509 PolarHBondContact O-N 3.18Å; Q488-V509 VanDerWaalsContact O-CG2 3.24Å; Q488-V509 WeakPolarHBondContact O-CG2 3.23Å; V509-N511 PolarHBondContact O-N 3.21Å; V509-S512 WeakPolarHBondContact O-CB 3.11Å; V509-S512 PolarHBondContact O-N 3.39Å; V509-S512 VanDerWaalsContact O-N 3.1Å
510	K	97.4	Very high	95	Very high	73 Å²	73	38.7 Å²	38.7	32%	0.317	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	54.3	-134.4	-176.6	-55.4	174.2	173.6	176.1	0	111.3	N462 T464 P465 S512	N462-K510 PolarHBondContact O-NZ 3.26Å; T464-K510 PolarHBondContact O-NZ 2.82Å; P465-K510 WeakPolarHBondContact O-CB 3.34Å; K510-S512 PolarHBondContact O-N 3.09Å
511	N	97.2	Very high	94.6	Very high	85 Å²	85	41.1 Å²	41.1	46%	0.455	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-83.9	12.7	-179.8	-62.4	-5.8	0	0	0	113.3	T279 M300 P465 V509	T279-N511 HydrophobicContact CG2-CB 3.81Å; T279-N511 WeakPolarHBondContact CG2-O 3.49Å; T279-N511 PolarHBondContact OG1-O 2.55Å; T279-N511 VanDerWaalsContact OG1-O 3.09Å; M300-N511 WeakPolarHBondContact CE-O 3.45Å; P465-N511 HydrophobicContact CB-CB 4.34Å; P465-N511 VanDerWaalsContact O-CB 3.32Å; P465-N511 WeakPolarHBondContact O-CB 3.48Å; P465-N511 PolarHBondContact O-N 2.79Å; V509-N511 PolarHBondContact O-N 3.21Å
512	S	98.1	Very high	94.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-93.7	-5.8	177.3	-72.2	0	0	0	0	114.3	M300 G301 Y466 G467 L468 V509 K510	M300-S512 WeakPolarHBondContact CA-O 3.26Å; M300-S512 PolarHBondContact N-O 3.31Å; G301-S512 WeakPolarHBondContact O-CB 3.45Å; G301-S512 PolarHBondContact O-OG 3.02Å; Y466-S512 WeakPolarHBondContact CA-OG 3.21Å; G467-S512 PolarHBondContact N-OG 2.76Å; L468-S512 PolarHBondContact N-OG 3.09Å; V509-S512 WeakPolarHBondContact O-CB 3.11Å; V509-S512 PolarHBondContact O-N 3.39Å; V509-S512 VanDerWaalsContact O-N 3.1Å; K510-S512 PolarHBondContact O-N 3.09Å
513	G	96.8	Very high	94.4	Very high	7 Å²	7	37.6 Å²	37.6	7%	0.072	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.8	174.7	171.8	0	0	0	0	0	116.5	L298	L298-G513 CarbonylContact O-C 3.57Å; L298-G513 WeakPolarHBondContact O-CA 3.49Å
514	I	96.7	Very high	94.4	Very high	69 Å²	69	36.5 Å²	36.5	35%	0.354	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	130.4	173.6	-59.7	177.4	0	0	0	107.6	Y286 V296 L298	Y286-I514 HydrophobicContact CD1-CD1 4.14Å; Y286-I514 HydrophobicContact CE1-CD1 3.72Å; V296-I514 HydrophobicContact CG2-CD1 4.4Å; V296-I514 HydrophobicContact CG2-CG2 4.38Å; L298-I514 HydrophobicContact CD1-CD1 4.29Å; L298-I514 PolarHBondContact N-O 3.27Å; L298-I514 PolarHBondContact O-N 2.68Å
515	G	96	Very high	94.4	Very high	16 Å²	16	34.2 Å²	34.2	17%	0.165	18%	0.183	C	C	.	.	S	Bend	trans	90.1	179.9	-176.1	0	0	0	0	0	112.8	E525	G515-E525 WeakPolarHBondContact CA-OE1 3.5Å
516	R	95.7	Very high	94.5	Very high	69 Å²	69	31.6 Å²	31.6	26%	0.26	17%	0.167	S	C	.	.			trans	-134	133.2	177.2	-64.1	-66.5	178.5	-99.9	8.3	111.3	P505 F506 G508 A522 E525	P505-R516 HydrophobicContact CB-CB 4.15Å; P505-R516 HydrophobicContact CB-CG 4.19Å; F506-R516 CarbonylContact O-C 3.6Å; F506-R516 WeakPolarHBondContact O-CA 3.25Å; G508-R516 VanDerWaalsContact O-CZ 3.31Å; G508-R516 PolarHBondContact O-NH1 2.95Å; G508-R516 PolarHBondContact O-NH2 3.4Å; G508-R516 VanDerWaalsContact O-NH2 3.08Å; R516-A522 WeakPolarHBondContact O-CA 3.4Å; R516-A522 WeakPolarHBondContact O-CB 3.43Å; R516-E525 PolarHBondContact N-OE1 3.36Å; R516-E525 WeakPolarHBondContact O-CG 3.33Å
517	E	94.6	Very high	94.6	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.019	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-98.2	152.8	169.3	-60.9	-174.5	-176.7	0	0	110.8	R203 K204 L297 E299 P505 F506	R203-E517 WeakPolarHBondContact CD-OE2 3.33Å; R203-E517 HydrophobicContact CG-CB 4.33Å; K204-E517 WeakPolarHBondContact CE-OE1 3.5Å; K204-E517 IonicContact NZ-OE1 2.74Å; K204-E517 PolarHBondContact NZ-OE1 3.37Å; L297-E517 HydrophobicContact CD1-CG 4.28Å; L297-E517 HydrophobicContact CD2-CG 4.14Å; L297-E517 HydrophobicContact CG-CG 4.32Å; E299-E517 VanDerWaalsContact CG-CD 3.45Å; E299-E517 HydrophobicContact CG-CG 3.93Å; E299-E517 WeakPolarHBondContact CG-OE1 3.39Å; P505-E517 CarbonylContact C-O 3.59Å; F506-E517 WeakPolarHBondContact CA-O 3.32Å; F506-E517 HydrophobicContact CB-CB 4.49Å; F506-E517 VanDerWaalsContact CB-O 3.29Å; F506-E517 WeakPolarHBondContact CB-O 3.41Å; F506-E517 PolarHBondContact N-O 2.88Å; F506-E517 PolarHBondContact O-N 3.12Å
518	G	91.6	Very high	94.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	18%	0.183	C	C	.	.	S	Bend	trans	67.5	171.7	-175.2	0	0	0	0	0	114.6	Y156 L504 A522	Y156-G518 WeakPolarHBondContact OH-CA 3.31Å; Y156-G518 PolarHBondContact OH-N 2.64Å; L504-G518 CarbonylContact O-C 3.08Å; G518-A522 WeakPolarHBondContact O-CB 3.29Å
519	G	91.2	Very high	94.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	-176.3	-173.9	0	0	0	0	0	113.8	W155 I502 E503 L504 N521	W155-G519 PolarHBondContact NE1-O 3.09Å; I502-G519 WeakPolarHBondContact O-CA 3.36Å; I502-G519 PolarHBondContact O-N 3.08Å; E503-G519 WeakPolarHBondContact O-CA 3.35Å; L504-G519 PolarHBondContact O-N 2.91Å; G519-N521 PolarHBondContact O-N 3.41Å
520	P	82.1	Confident	94.6	Very high	61 Å²	61	42.5 Å²	42.5	40%	0.396	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-20.2	-177.6	26.7	-34.5	0	0	0	113
521	N	83.7	Confident	94.6	Very high	96 Å²	96	43.9 Å²	43.9	51%	0.513	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-18.4	-173.7	-67	-31.9	0	0	0	114.2	G519 L523 H524	G519-N521 PolarHBondContact O-N 3.41Å; N521-L523 PolarHBondContact O-N 3.11Å; N521-H524 WeakPolarHBondContact O-CB 3.18Å; N521-H524 PolarHBondContact O-N 2.82Å
522	A	93	Very high	94.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-62.4	-27.1	-176.6	0	0	0	0	0	114	Y156 R516 G518 H524 E525	Y156-A522 HydrophobicContact CE1-CB 4.25Å; R516-A522 WeakPolarHBondContact O-CA 3.4Å; R516-A522 WeakPolarHBondContact O-CB 3.43Å; G518-A522 WeakPolarHBondContact O-CB 3.29Å; A522-H524 PolarHBondContact O-N 3.08Å; A522-E525 WeakPolarHBondContact O-CB 3.45Å; A522-E525 PolarHBondContact O-N 2.98Å
523	L	94.5	Very high	94.5	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-62.8	-33.7	176	-169.5	67.8	0	0	0	112	E159 V163 A207 A210 N521 E525 F526 M527	E159-L523 HydrophobicContact CB-CD2 4.03Å; E159-L523 WeakPolarHBondContact O-CD2 3.49Å; V163-L523 HydrophobicContact CG2-CD2 3.38Å; A207-L523 WeakPolarHBondContact O-CD1 3.17Å; A210-L523 HydrophobicContact CB-CD1 3.56Å; N521-L523 PolarHBondContact O-N 3.11Å; L523-E525 VanDerWaalsContact C-N 3.29Å; L523-E525 PolarHBondContact O-N 3.05Å; L523-F526 PolarHBondContact O-N 2.63Å; L523-M527 HydrophobicContact CD1-CE 4.38Å; L523-M527 HydrophobicContact CD2-CE 3.97Å; L523-M527 HydrophobicContact CG-CE 3.8Å
524	H	95.3	Very high	94.3	Very high	67 Å²	67	51.9 Å²	51.9	31%	0.31	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-71.6	-21.1	-179.4	-61.9	147.1	0	0	0	113.3	R295 N521 A522 F526 M527	R295-H524 PolarHBondContact NH1-O 3.04Å; N521-H524 WeakPolarHBondContact O-CB 3.18Å; N521-H524 PolarHBondContact O-N 2.82Å; A522-H524 PolarHBondContact O-N 3.08Å; H524-F526 PolarHBondContact O-N 2.91Å; H524-F526 VanDerWaalsContact O-N 3.13Å; H524-M527 PolarHBondContact O-N 3.22Å
525	E	96.4	Very high	94.1	Very high	45 Å²	45	52.8 Å²	52.8	21%	0.21	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-58.1	-27.5	173.1	-63.5	-68.7	-178.8	0	0	111.6	L272 R295 L297 G515 R516 A522 L523	L272-E525 WeakPolarHBondContact CD1-O 3.26Å; R295-E525 WeakPolarHBondContact CD-O 3.46Å; R295-E525 PolarHBondContact NH1-O 3.16Å; L297-E525 HydrophobicContact CD1-CB 4.42Å; L297-E525 HydrophobicContact CD1-CG 4.05Å; L297-E525 HydrophobicContact CD2-CB 4.17Å; G515-E525 WeakPolarHBondContact CA-OE1 3.5Å; R516-E525 PolarHBondContact N-OE1 3.36Å; R516-E525 WeakPolarHBondContact O-CG 3.33Å; A522-E525 WeakPolarHBondContact O-CB 3.45Å; A522-E525 PolarHBondContact O-N 2.98Å; L523-E525 VanDerWaalsContact C-N 3.29Å; L523-E525 PolarHBondContact O-N 3.05Å
526	F	98	Very high	93.9	Very high	2 Å²	2	55 Å²	55	1%	0.009	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-95.4	11.8	178.3	-60.4	-86.4	0	0	0	113.7	I185 V188 K204 A207 A208 S211 C213 L272 L297 L523 H524	I185-F526 PolarHBondContact N-O 2.84Å; V188-F526 HydrophobicContact CG1-CD1 4.19Å; V188-F526 HydrophobicContact CG2-CD1 4.37Å; V188-F526 HydrophobicContact CG2-CE1 4.28Å; K204-F526 WeakPolarHBondContact O-CZ 3.38Å; A207-F526 HydrophobicContact CB-CD2 3.74Å; A207-F526 HydrophobicContact CB-CE2 3.49Å; A207-F526 VanDerWaalsContact CB-CE2 3.49Å; A207-F526 HydrophobicContact CB-CZ 4.38Å; A208-F526 HydrophobicContact CB-CD1 3.71Å; A208-F526 HydrophobicContact CB-CE1 3.73Å; A208-F526 HydrophobicContact CB-CG 4.27Å; A208-F526 HydrophobicContact CB-CZ 4.31Å; S211-F526 WeakPolarHBondContact OG-CB 3.46Å; C213-F526 PolarHBondContact SG-O 3.08Å; C213-F526 VanDerWaalsContact SG-O 3.39Å; L272-F526 HydrophobicContact CD1-CD1 4.19Å; L272-F526 HydrophobicContact CD1-CE1 4.46Å; L272-F526 HydrophobicContact CD2-CD1 4.34Å; L272-F526 HydrophobicContact CD2-CE1 3.94Å; L297-F526 HydrophobicContact CD2-CE2 3.8Å; L297-F526 HydrophobicContact CD2-CZ 3.64Å; L523-F526 PolarHBondContact O-N 2.63Å; H524-F526 PolarHBondContact O-N 2.91Å; H524-F526 VanDerWaalsContact O-N 3.13Å
527	M	97.7	Very high	93.6	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.02	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.2	-175.2	-62.3	-179.5	175.1	0	0	114.1	V163 Q182 Q183 R295 L523 H524	V163-M527 HydrophobicContact CB-CE 4.35Å; V163-M527 HydrophobicContact CG1-CE 3.71Å; V163-M527 HydrophobicContact CG1-SD 3.65Å; V163-M527 HydrophobicContact CG2-CE 3.62Å; V163-M527 HydrophobicContact CG2-SD 4.43Å; Q182-M527 HydrophobicContact CB-CB 4.38Å; Q182-M527 HydrophobicContact CB-SD 3.6Å; Q182-M527 HydrophobicContact CG-SD 4.35Å; Q183-M527 CarbonylContact O-C 3.55Å; Q183-M527 WeakPolarHBondContact O-CA 3.46Å; Q183-M527 WeakPolarHBondContact O-CB 3.21Å; R295-M527 VanDerWaalsContact CZ-O 3.25Å; R295-M527 PolarHBondContact NH1-O 2.95Å; R295-M527 PolarHBondContact NH2-O 3.29Å; L523-M527 HydrophobicContact CD1-CE 4.38Å; L523-M527 HydrophobicContact CD2-CE 3.97Å; L523-M527 HydrophobicContact CG-CE 3.8Å; H524-M527 PolarHBondContact O-N 3.22Å
528	D	97	Very high	92.8	Very high	68 Å²	68	61.8 Å²	61.8	36%	0.364	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.3	166.5	-71.5	-32	0	0	0	110.8	Q183 R295	Q183-D528 PolarHBondContact N-O 2.95Å; Q183-D528 PolarHBondContact O-N 2.78Å; R295-D528 IonicContact CZ-OD1 3.94Å; R295-D528 IonicContact NH2-OD1 3.1Å; R295-D528 PolarHBondContact NH2-OD1 3.33Å
529	I	96.7	Very high	91.3	Very high	119 Å²	119	72.3 Å²	72.3	61%	0.61	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	119.5	172.5	-58	178.2	0	0	0	108	V180	V180-I529 HydrophobicContact CG1-CG2 3.39Å
530	K	97.1	Very high	91.3	Very high	102 Å²	102	76 Å²	76	44%	0.443	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.6	178.4	-176.7	169.1	-176.1	173.2	0	111	A181 Q183	A181-K530 PolarHBondContact N-O 3.39Å; A181-K530 PolarHBondContact O-N 3.08Å; Q183-K530 HydrophobicContact CG-CB 4.35Å
531	T	97.1	Very high	91.8	Very high	101 Å²	101	76.7 Å²	76.7	62%	0.62	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	138.5	172	58.2	0	0	0	0	111.1	L179 V180	L179-T531 CarbonylContact O-C 3.47Å; L179-T531 VanDerWaalsContact O-CA 3.26Å; L179-T531 WeakPolarHBondContact O-CA 3.47Å; V180-T531 HydrophobicContact CG2-CG2 4.47Å
532	I	96.3	Very high	92.2	Very high	79 Å²	79	75.7 Å²	75.7	41%	0.405	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118	171.9	-52.6	172.5	0	0	0	107	Q178 L179 W534	Q178-I532 CarbonylContact C-O 3.52Å; Q178-I532 WeakPolarHBondContact CA-O 3.45Å; L179-I532 HydrophobicContact CB-CB 4.44Å; L179-I532 PolarHBondContact N-O 3.17Å; L179-I532 PolarHBondContact O-N 3.13Å; I532-W534 HydrophobicContact CG2-CE3 4Å; I532-W534 HydrophobicContact CG2-CZ3 4.27Å
533	T	96.2	Very high	92.2	Very high	79 Å²	79	80.1 Å²	80.1	49%	0.485	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.5	177.9	-58.1	0	0	0	0	108.5	R176 R177 Q178	R176-T533 HydrophobicContact CG-CG2 3.7Å; R177-T533 WeakPolarHBondContact O-CA 3.43Å; Q178-T533 HydrophobicContact CG-CG2 4.11Å
534	W	93.5	Very high	92	Very high	103 Å²	103	84.8 Å²	84.8	39%	0.39	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.5	172.8	67.6	101.9	0	0	0	110.1	R177 L179 I532	R177-W534 HydrophobicContact CB-CD2 3.71Å; R177-W534 HydrophobicContact CB-CE3 4.11Å; R177-W534 HydrophobicContact CB-CG 4.31Å; R177-W534 HydrophobicContact CB-CH2 3.79Å; R177-W534 HydrophobicContact CB-CZ2 3.38Å; R177-W534 HydrophobicContact CB-CZ3 4.14Å; R177-W534 HydrophobicContact CG-CZ2 3.99Å; R177-W534 PolarHBondContact N-O 2.95Å; R177-W534 PolarHBondContact O-N 3.35Å; L179-W534 HydrophobicContact CB-CZ3 4.2Å; L179-W534 HydrophobicContact CD1-CH2 3.37Å; L179-W534 HydrophobicContact CD1-CZ3 3.53Å; L179-W534 HydrophobicContact CD2-CH2 4.47Å; L179-W534 HydrophobicContact CG-CH2 3.54Å; L179-W534 HydrophobicContact CG-CZ3 3.58Å; I532-W534 HydrophobicContact CG2-CE3 4Å; I532-W534 HydrophobicContact CG2-CZ3 4.27Å
535	D	92.5	Very high	91.8	Very high	88 Å²	88	86 Å²	86	47%	0.471	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128	173	-157.2	-23.1	0	0	0	108.7	S175 S537	S175-D535 WeakPolarHBondContact CB-OD1 3.33Å; S175-D535 PolarHBondContact OG-OD1 2.98Å; D535-S537 PolarHBondContact OD1-N 3.04Å; D535-S537 PolarHBondContact OD1-OG 2.89Å
536	T	91.5	Very high	91.5	Very high	61 Å²	61	88.9 Å²	88.9	37%	0.374	47%	0.473	S	S	.	.			trans	-98.6	10.7	176.2	71.8	0	0	0	0	112.4	S175 R177 N538	S175-T536 PolarHBondContact O-N 3.44Å; S175-T536 PolarHBondContact O-OG1 3.31Å; R177-T536 HydrophobicContact CG-CG2 3.6Å; T536-N538 PolarHBondContact O-N 3.38Å
537	S	89.6	Confident	91	Very high	54 Å²	54	95.6 Å²	95.6	38%	0.378	51%	0.509	S	S	.	.			trans	-64.1	128	170.2	60.4	0	0	0	0	109.4	D535 N539	D535-S537 PolarHBondContact OD1-N 3.04Å; D535-S537 PolarHBondContact OD1-OG 2.89Å; S537-N539 PolarHBondContact O-N 3.03Å
538	N	78.3	Confident	90.4	Very high	163 Å²	163	103.3 Å²	103.3	87%	0.872	55%	0.55	S	S	*	.			trans	-70.4	96.2	167	-64	-22.5	0	0	0	107.6	T536	T536-N538 PolarHBondContact O-N 3.38Å
539	N	59.3	Low	89.8	Confident	222 Å²	222	106.5 Å²	106.5	100%	1.187	57%	0.567	S	S	*	*			trans	-89.3	0	154.1	-89.6	-11.2	0	0	0	108.4	S537	S537-N539 PolarHBondContact O-N 3.03Å

Retrieved 539 of 539 residues in 654.6 ms (Link to these results)

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