A0A096N3A3_PAPAN Loading...

Guanidino acid hydrolase, mitochondrial

Hydrolyzes linear guanidino acids to form urea and the corresponding amines. Displays specificity for substrates having a negatively charged head group and short chains including taurocyamine, guanidino propanoic and butanoic acids. May protect cells by detoxifying potentially harmful amounts of guanidino acids. Metabolizes L-arginine with low efficiency.

AlphaFold DB , UniProt , Accession A0A096N3A3, Species PAPAN (Papio anubis, Olive baboon), Gene AGMAT, Length 352 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	38.7	Very low	34.1	Very low	243 Å²	243	159 Å²	159	100%	1.197	89%	0.89	S	S	*	*				0	86.2	0	-88.7	171.4	160.3	0	0	106.7
2	L	33	Very low	34	Very low	170 Å²	170	151.8 Å²	151.8	89%	0.89	88%	0.877	S	S	*	*				78.9	130.2	50.4	-140.6	107.4	0	0	0	114.5
3	R	34.1	Very low	34.8	Very low	232 Å²	232	150.6 Å²	150.6	88%	0.875	88%	0.878	S	S	*	*			trans	101.3	107.8	-179.6	-63.8	-178.8	179.3	-147.3	0.2	112.8
4	L	35.3	Very low	34.6	Very low	154 Å²	154	145.1 Å²	145.1	81%	0.806	87%	0.869	S	S	*	*			cis	65.3	113	20	-114.1	160.1	0	0	0	115.9
5	L	36.2	Very low	35.5	Very low	156 Å²	156	144.7 Å²	144.7	82%	0.817	87%	0.872	S	S	*	*			trans	159.7	114.3	133.9	-82.1	164.9	0	0	0	109.2
6	A	36.3	Very low	35.3	Very low	89 Å²	89	140.6 Å²	140.6	74%	0.736	87%	0.868	S	S	*	*				74.7	147.2	84.1	0	0	0	0	0	112.6
7	S	36.2	Very low	35.4	Very low	125 Å²	125	141.5 Å²	141.5	87%	0.874	87%	0.873	S	S	*	*			cis	-177.9	168.2	-7.4	51.4	0	0	0	0	105.7
8	G	30	Very low	35.1	Very low	80 Å²	80	137.9 Å²	137.9	83%	0.825	87%	0.868	S	S	*	*			trans	172.8	85	168.8	0	0	0	0	0	116
9	C	29.6	Very low	35.1	Very low	137 Å²	137	135.8 Å²	135.8	93%	0.926	87%	0.865	S	S	*	*			trans	-74.4	151.9	169	-81.4	0	0	0	0	112.6
10	A	33.2	Very low	35.2	Very low	105 Å²	105	141.1 Å²	141.1	87%	0.868	87%	0.867	S	S	*	*			trans	-155.3	123.6	138	0	0	0	0	0	111.1
11	R	31.9	Very low	35.5	Very low	258 Å²	258	140 Å²	140	97%	0.974	86%	0.863	S	S	*	*			trans	-105.3	148.6	164.2	-77.1	-177	-179.9	-169.4	0.2	108.2
12	G	33.2	Very low	35.3	Very low	72 Å²	72	135.2 Å²	135.2	74%	0.742	85%	0.847	S	S	*	*			trans	-172.9	151.9	163.3	0	0	0	0	0	112.2
13	P	44.2	Very low	35.2	Very low	137 Å²	137	132.2 Å²	132.2	89%	0.89	84%	0.84	S	S	*	*			trans	-118.7	170.9	-138.7	39.3	-27.3	0	0	0	115.7
14	G	32.7	Very low	35.2	Very low	73 Å²	73	124.5 Å²	124.5	75%	0.753	83%	0.833	S	S	*	*			trans	135.7	152.4	145.6	0	0	0	0	0	117.4
15	P	47.5	Very low	35.1	Very low	140 Å²	140	125.3 Å²	125.3	91%	0.909	84%	0.837	S	S	*	*			trans	-112.4	166.1	-144.9	38.3	-26.4	0	0	0	115.1
16	G	32	Very low	34.7	Very low	78 Å²	78	124 Å²	124	80%	0.804	84%	0.84	S	S	*	*			trans	-169.6	114	170.7	0	0	0	0	0	113.8
17	V	37	Very low	34.5	Very low	157 Å²	157	128.6 Å²	128.6	95%	0.952	85%	0.846	S	S	*	*			trans	-77.1	144.8	-179.9	175	0	0	0	0	111
18	G	31.5	Very low	34.4	Very low	77 Å²	77	128.6 Å²	128.6	79%	0.794	84%	0.842	S	S	*	*			trans	177.2	98.4	164.3	0	0	0	0	0	114.1
19	A	34.2	Very low	34.8	Very low	97 Å²	97	128.4 Å²	128.4	80%	0.802	84%	0.84	S	S	*	*			trans	-90.2	137.2	173.1	0	0	0	0	0	111.5
20	R	36.6	Very low	35	Very low	241 Å²	241	129.9 Å²	129.9	91%	0.909	84%	0.838	S	S	*	*				158.8	158.2	123.3	-88.5	-168.3	-178.3	-166.8	2.1	113.1
21	P	41.8	Very low	35.1	Very low	119 Å²	119	136.7 Å²	136.7	77%	0.773	84%	0.842	S	S	*	*			trans	-98.8	155.1	-146.9	38	-32.7	0	0	0	113.1
22	V	34.9	Very low	35.2	Very low	142 Å²	142	133.5 Å²	133.5	86%	0.861	84%	0.838	S	S	*	*			trans	-137.2	131.2	162.6	-164.5	0	0	0	0	110.1
23	S	31.2	Very low	35.7	Very low	107 Å²	107	134.8 Å²	134.8	75%	0.748	84%	0.835	S	S	*	*			trans	-54.1	138.7	179.5	47.6	0	0	0	0	116
24	G	33.3	Very low	35.7	Very low	71 Å²	71	138.7 Å²	138.7	73%	0.732	83%	0.832	S	S	*	*				52.7	102.9	124.9	0	0	0	0	0	119.3
25	L	32.9	Very low	36.1	Very low	171 Å²	171	143.8 Å²	143.8	90%	0.895	84%	0.837	S	S	*	*			trans	-138.4	112.5	146	-76.3	173.6	0	0	0	109.2	H27	L25-H27 PolarHBondContact O-N 3.49Å
26	C	28.7	Very low	35.9	Very low	129 Å²	129	141 Å²	141	87%	0.872	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-66.3	121.8	168.9	-85.3	0	0	0	0	109.9
27	H	31.5	Very low	36.7	Very low	185 Å²	185	141.6 Å²	141.6	86%	0.856	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-101	121.4	159.3	-88.4	-46.7	0	0	0	109.7	L25	L25-H27 PolarHBondContact O-N 3.49Å
28	P	35.8	Very low	37.5	Very low	124 Å²	124	142.4 Å²	142.4	81%	0.805	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-86.2	133.1	170.2	33.1	-27.2	0	0	0	109.2
29	G	37.8	Very low	38.8	Very low	76 Å²	76	141.7 Å²	141.7	78%	0.784	80%	0.803	S	S	*	*			trans	128.3	51.5	164.2	0	0	0	0	0	116.6
30	L	33.1	Very low	40.7	Very low	169 Å²	169	143 Å²	143	89%	0.885	80%	0.803	S	S	*	*			trans	-115.5	107.1	153	-81	161.6	0	0	0	106.9	Q32	L30-Q32 PolarHBondContact O-N 2.84Å
31	R	36.1	Very low	43.3	Very low	248 Å²	248	136.9 Å²	136.9	94%	0.936	78%	0.78	S	S	*	*			trans	-53.3	115	164.6	-83.6	-178	172.6	-145.1	-1.4	106.4	S33	R31-S33 VanDerWaalsContact C-N 3.3Å; R31-S33 PolarHBondContact O-N 3.05Å
32	Q	34.2	Very low	45.9	Very low	191 Å²	191	132.8 Å²	132.8	89%	0.893	75%	0.751	S	S	*	*			trans	-59.6	98.6	168.2	-77.7	177.6	-4.6	0	0	107.4	L30 R34	L30-Q32 PolarHBondContact O-N 2.84Å; Q32-R34 PolarHBondContact O-N 3.23Å
33	S	42.9	Very low	48.8	Very low	99 Å²	99	131.7 Å²	131.7	69%	0.692	74%	0.737	S	S	*	*			trans	-56	121.1	155.5	53.4	0	0	0	0	105.7	R31 Q35	R31-S33 VanDerWaalsContact C-N 3.3Å; R31-S33 PolarHBondContact O-N 3.05Å; S33-Q35 PolarHBondContact O-N 2.82Å
34	R	43.6	Very low	51.8	Low	218 Å²	218	127.2 Å²	127.2	82%	0.823	71%	0.705	S	S	*	*			trans	-48.8	105.8	171.5	-76.3	-177.7	175.6	-176.9	-0.7	107.3	Q32 A36	Q32-R34 PolarHBondContact O-N 3.23Å; R34-A36 PolarHBondContact O-N 3.12Å
35	Q	41.6	Very low	54.7	Low	181 Å²	181	126.1 Å²	126.1	85%	0.846	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-63.2	121.2	164.2	-81.4	-179.1	-25.5	0	0	105.2	S33 S37	S33-Q35 PolarHBondContact O-N 2.82Å; Q35-S37 PolarHBondContact O-N 3.24Å; Q35-S37 VanDerWaalsContact O-N 3.12Å
36	A	44.1	Very low	57.5	Low	82 Å²	82	120 Å²	120	68%	0.678	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-55.1	119.2	170	0	0	0	0	0	106.9	R34 D38	R34-A36 PolarHBondContact O-N 3.12Å; A36-D38 PolarHBondContact O-N 3.44Å
37	S	47.7	Very low	60.5	Low	90 Å²	90	117.1 Å²	117.1	63%	0.629	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-62.1	133.8	176.1	55.3	0	0	0	0	109.1	Q35 A39	Q35-S37 PolarHBondContact O-N 3.24Å; Q35-S37 VanDerWaalsContact O-N 3.12Å; S37-A39 PolarHBondContact O-N 3.4Å
38	D	54.1	Low	63.4	Low	174 Å²	174	116.6 Å²	116.6	93%	0.93	64%	0.635	S	S	*	*			trans	-64.7	10.7	171.1	-70.2	-38.8	0	0	0	113.7	A36	A36-D38 PolarHBondContact O-N 3.44Å
39	A	58.9	Low	66.2	Low	62 Å²	62	118 Å²	118	51%	0.512	63%	0.634	S	S	.	*	S	Bend	trans	-66.6	135.3	173.1	0	0	0	0	0	109.7	S37 R41	S37-A39 PolarHBondContact O-N 3.4Å; A39-R41 PolarHBondContact O-N 3.05Å
40	P	74.4	Confident	68.9	Low	123 Å²	123	117.1 Å²	117.1	80%	0.799	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-60.4	130.5	177.8	23.1	-30.9	0	0	0	110
41	R	91.9	Very high	71.9	Confident	114 Å²	114	111.6 Å²	111.6	43%	0.43	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-62.8	148.3	174.6	-68.1	177.8	179.9	92.8	5	110.1	A39 F116 Q117 S118	A39-R41 PolarHBondContact O-N 3.05Å; R41-F116 WeakPolarHBondContact CB-O 3.43Å; R41-F116 WeakPolarHBondContact CD-O 3.42Å; R41-Q117 WeakPolarHBondContact CD-O 3.44Å; R41-Q117 PolarHBondContact NE-O 2.94Å; R41-Q117 PolarHBondContact NH1-O 3.27Å; R41-S118 PolarHBondContact NE-O 3.16Å
42	N	95.7	Very high	74.7	Confident	32 Å²	32	103 Å²	103	17%	0.171	56%	0.56	C	S	.	*	P	Polyproline II helix	trans	-64.2	136.1	173.9	-67.7	-20.3	0	0	0	110.5	L62 P63 Q65 V121	N42-L62 HydrophobicContact CB-CD2 4.34Å; N42-P63 HydrophobicContact CB-CG 4.32Å; N42-Q65 PolarHBondContact ND2-NE2 3.34Å; N42-V121 WeakPolarHBondContact CB-O 3.26Å; N42-V121 PolarHBondContact ND2-O 2.99Å
43	Q	94.7	Very high	77.6	Confident	119 Å²	119	99.3 Å²	99.3	56%	0.556	56%	0.555	S	S	*	*			trans	-146.3	152.9	173.3	62.1	-178.2	-4.6	0	0	110.7	F116	Q43-F116 HydrophobicContact CB-CB 3.9Å; Q43-F116 HydrophobicContact CB-CG 4.31Å
44	P	95.1	Very high	80	Confident	14 Å²	14	98.1 Å²	98.1	9%	0.091	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-53	141	169.8	-27.7	35.1	0	0	0	112.1	M60 L62 T106 F116	P44-M60 VanDerWaalsContact CB-O 3.27Å; P44-M60 WeakPolarHBondContact CB-O 3.48Å; P44-M60 HydrophobicContact CG-CB 4.03Å; P44-M60 HydrophobicContact CG-CE 4.1Å; P44-M60 WeakPolarHBondContact CG-O 3.45Å; P44-L62 HydrophobicContact CG-CD2 4.37Å; P44-T106 HydrophobicContact CB-CG2 4.11Å; P44-T106 HydrophobicContact CG-CG2 4.06Å; P44-F116 HydrophobicContact CG-CD2 4.31Å; P44-F116 HydrophobicContact CG-CE2 3.81Å; P44-F116 HydrophobicContact CG-CZ 3.93Å
45	P	94.3	Very high	82.4	Confident	47 Å²	47	91.1 Å²	91.1	31%	0.305	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-61.9	142.3	175.5	25.4	-34.4	0	0	0	111.7	V50 R61	P45-V50 HydrophobicContact CB-CB 4.4Å; P45-V50 HydrophobicContact CB-CG2 4.33Å; P45-R61 HydrophobicContact CG-CB 4.11Å; P45-R61 VanDerWaalsContact CG-CZ 3.41Å
46	S	92.5	Very high	85.1	Confident	44 Å²	44	87.9 Å²	87.9	31%	0.308	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-63.3	130.8	178.7	178.2	0	0	0	0	111	E48 L49 V50	S46-E48 PolarHBondContact O-N 3.21Å; S46-E48 WeakPolarHBondContact OG-CB 3.37Å; S46-E48 PolarHBondContact OG-N 3.37Å; S46-L49 PolarHBondContact O-N 3.29Å; S46-L49 VanDerWaalsContact O-N 3.15Å; S46-V50 PolarHBondContact O-N 3.37Å
47	P	90.6	Very high	87.6	Confident	67 Å²	67	87 Å²	87	44%	0.435	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.8	174.9	32.6	-39.2	0	0	0	113.1	L49 R52	P47-L49 VanDerWaalsContact C-N 3.27Å; P47-R52 HydrophobicContact CB-CG 4.23Å
48	E	93.1	Very high	90	Very high	175 Å²	175	83 Å²	83	82%	0.818	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-26.3	174.2	-61.1	173.8	175.3	0	0	112	S46	S46-E48 PolarHBondContact O-N 3.21Å; S46-E48 WeakPolarHBondContact OG-CB 3.37Å; S46-E48 PolarHBondContact OG-N 3.37Å
49	L	93.8	Very high	92.2	Very high	153 Å²	153	74.7 Å²	74.7	80%	0.801	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-32.1	-174.8	-61.2	177	0	0	0	112.7	S46 P47	S46-L49 PolarHBondContact O-N 3.29Å; S46-L49 VanDerWaalsContact O-N 3.15Å; P47-L49 VanDerWaalsContact C-N 3.27Å
50	V	94	Very high	94	Very high	57 Å²	57	71.9 Å²	71.9	35%	0.345	42%	0.424	S	S	.	.	S	Bend	trans	-133.4	119.4	-176.2	-166.2	0	0	0	0	110.1	P45 S46 R52 V54 R61	P45-V50 HydrophobicContact CB-CB 4.4Å; P45-V50 HydrophobicContact CB-CG2 4.33Å; S46-V50 PolarHBondContact O-N 3.37Å; V50-R52 PolarHBondContact O-N 2.9Å; V50-V54 HydrophobicContact CG1-CG2 3.59Å; V50-R61 PolarHBondContact O-NH1 3.32Å
51	A	95.9	Very high	95.1	Very high	54 Å²	54	67.5 Å²	67.5	45%	0.446	39%	0.391	S	S	.	.			trans	-50.9	141.1	175.8	0	0	0	0	0	111.5	S53 V54 R61	A51-S53 VanDerWaalsContact C-N 3.25Å; A51-S53 PolarHBondContact O-N 3.3Å; A51-V54 HydrophobicContact CB-CG1 4.36Å; A51-V54 HydrophobicContact CB-CG2 4.2Å; A51-V54 VanDerWaalsContact O-CG2 3.32Å; A51-V54 WeakPolarHBondContact O-CG2 3.45Å; A51-V54 PolarHBondContact O-N 3.19Å; A51-R61 PolarHBondContact O-NH1 3.3Å; A51-R61 PolarHBondContact O-NH2 2.88Å
52	R	95.2	Very high	95.4	Very high	68 Å²	68	62.2 Å²	62.2	26%	0.257	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-27.7	-176.5	-70.3	177.2	178.7	-85.6	1.3	113.1	P47 V50 V54 V102 L104	P47-R52 HydrophobicContact CB-CG 4.23Å; V50-R52 PolarHBondContact O-N 2.9Å; R52-V54 VanDerWaalsContact C-N 3.28Å; R52-V54 PolarHBondContact O-N 2.93Å; R52-V102 HydrophobicContact CB-CB 4.45Å; R52-V102 WeakPolarHBondContact CD-O 3.46Å; R52-V102 PolarHBondContact NH1-O 3.24Å; R52-L104 PolarHBondContact NH1-O 3.19Å
53	S	94.6	Very high	95.5	Very high	113 Å²	113	63.4 Å²	63.4	79%	0.79	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-1.4	-179.9	53.2	0	0	0	0	114.7	A51	A51-S53 VanDerWaalsContact C-N 3.25Å; A51-S53 PolarHBondContact O-N 3.3Å
54	V	94.8	Very high	95.7	Very high	73 Å²	73	61.8 Å²	61.8	44%	0.442	38%	0.379	S	S	.	.	S	Bend	trans	-116.3	153.7	-178	-52.1	0	0	0	0	112.9	V50 A51 R52 R61	V50-V54 HydrophobicContact CG1-CG2 3.59Å; A51-V54 HydrophobicContact CB-CG1 4.36Å; A51-V54 HydrophobicContact CB-CG2 4.2Å; A51-V54 VanDerWaalsContact O-CG2 3.32Å; A51-V54 WeakPolarHBondContact O-CG2 3.45Å; A51-V54 PolarHBondContact O-N 3.19Å; R52-V54 VanDerWaalsContact C-N 3.28Å; R52-V54 PolarHBondContact O-N 2.93Å; V54-R61 PolarHBondContact O-NE 3.31Å; V54-R61 PolarHBondContact O-NH2 3.41Å
55	G	94.3	Very high	95.8	Very high	72 Å²	72	64 Å²	64	74%	0.742	39%	0.389	S	S	*	.	S	Bend	trans	104.3	-177.7	-179.7	0	0	0	0	0	112.6
56	V	96.8	Very high	95.8	Very high	112 Å²	112	69 Å²	69	68%	0.679	42%	0.418	S	S	*	.			trans	-67.5	134.5	176	177.9	0	0	0	0	109.3	S58 V64	V56-S58 PolarHBondContact O-N 2.9Å; V56-V64 HydrophobicContact CG1-CG2 4.33Å
57	C	97.4	Very high	96	Very high	64 Å²	64	69.4 Å²	69.4	43%	0.432	42%	0.421	S	S	.	.			trans	-80.2	69.9	178	-171.6	0	0	0	0	111.1	E99	C57-E99 VanDerWaalsContact SG-CA 3.51Å; C57-E99 VanDerWaalsContact SG-CG 3.56Å
58	S	98.6	Very high	96.4	Very high	5 Å²	5	66.9 Å²	66.9	4%	0.035	40%	0.404	C	S	.	.			trans	-97.4	165.2	169.1	55.5	0	0	0	0	111	V56 M60 R61 L62 D123	V56-S58 PolarHBondContact O-N 2.9Å; S58-M60 PolarHBondContact O-N 3.01Å; S58-R61 PolarHBondContact O-N 2.77Å; S58-R61 WeakPolarHBondContact OG-CA 3.46Å; S58-L62 WeakPolarHBondContact CB-O 3.44Å; S58-L62 PolarHBondContact OG-N 3.23Å; S58-L62 PolarHBondContact OG-O 3.38Å; S58-D123 WeakPolarHBondContact CA-OD2 3.5Å; S58-D123 WeakPolarHBondContact CB-OD2 3.22Å
59	M	98.6	Very high	96.6	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-58.5	120.6	178.3	-175.9	54.4	177.6	0	0	110.4	R61 L62 F75 I97 R98 S101 L104 D123 L158 L339	M59-R61 PolarHBondContact O-N 2.76Å; M59-L62 WeakPolarHBondContact O-CB 3.47Å; M59-L62 WeakPolarHBondContact O-CG 3.43Å; M59-L62 PolarHBondContact O-N 3.18Å; M59-F75 HydrophobicContact CB-CB 3.85Å; M59-F75 HydrophobicContact CB-CD2 4.02Å; M59-F75 HydrophobicContact CB-CG 3.92Å; M59-F75 HydrophobicContact CE-CD1 4.18Å; M59-F75 HydrophobicContact CE-CE1 3.79Å; M59-F75 HydrophobicContact CE-CZ 4.05Å; M59-F75 HydrophobicContact CG-CB 3.83Å; M59-F75 HydrophobicContact CG-CD1 3.65Å; M59-F75 HydrophobicContact CG-CD2 3.49Å; M59-F75 VanDerWaalsContact CG-CD2 3.49Å; M59-F75 HydrophobicContact CG-CE1 4.02Å; M59-F75 HydrophobicContact CG-CE2 3.86Å; M59-F75 HydrophobicContact CG-CG 3.37Å; M59-F75 HydrophobicContact CG-CZ 4.1Å; M59-I97 HydrophobicContact SD-CG2 4.28Å; M59-R98 HydrophobicContact CB-CG 4.19Å; M59-S101 WeakPolarHBondContact SD-CB 3.36Å; M59-L104 HydrophobicContact CE-CD1 4.44Å; M59-D123 HydrophobicContact CB-CB 4.45Å; M59-D123 PolarHBondContact N-OD2 2.97Å; M59-L158 HydrophobicContact SD-CD2 4.13Å; M59-L339 HydrophobicContact CE-CB 3.92Å; M59-L339 HydrophobicContact CE-CD1 4.09Å
60	M	98	Very high	96.7	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.02	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	53.4	21.8	-173.7	-57.9	-174.3	61.8	0	0	114.3	P44 S58 L62 F75 S101 L104 R105 F116 F340	P44-M60 VanDerWaalsContact CB-O 3.27Å; P44-M60 WeakPolarHBondContact CB-O 3.48Å; P44-M60 HydrophobicContact CG-CB 4.03Å; P44-M60 HydrophobicContact CG-CE 4.1Å; P44-M60 WeakPolarHBondContact CG-O 3.45Å; S58-M60 PolarHBondContact O-N 3.01Å; M60-L62 HydrophobicContact CB-CD1 4.48Å; M60-L62 HydrophobicContact CB-CG 4.36Å; M60-L62 PolarHBondContact O-N 3.24Å; M60-F75 HydrophobicContact SD-CE2 4.44Å; M60-F75 HydrophobicContact SD-CZ 4.38Å; M60-S101 PolarHBondContact N-OG 3.43Å; M60-L104 HydrophobicContact CE-CB 3.63Å; M60-L104 HydrophobicContact CE-CD1 4.21Å; M60-L104 HydrophobicContact CG-CB 4.33Å; M60-L104 HydrophobicContact CG-CD1 3.71Å; M60-L104 HydrophobicContact SD-CB 4.4Å; M60-L104 HydrophobicContact SD-CD1 3.88Å; M60-R105 VanDerWaalsContact CE-O 3.32Å; M60-R105 WeakPolarHBondContact CE-O 3.36Å; M60-F116 HydrophobicContact CE-CE2 3.61Å; M60-F116 HydrophobicContact CE-CZ 3.6Å; M60-F116 HydrophobicContact SD-CE2 4.4Å; M60-F116 HydrophobicContact SD-CZ 3.8Å; M60-F340 HydrophobicContact CE-CD2 3.59Å; M60-F340 HydrophobicContact CE-CE2 3.89Å; M60-F340 HydrophobicContact CE-CG 4.47Å; M60-F340 HydrophobicContact SD-CB 4.49Å; M60-F340 HydrophobicContact SD-CD2 3.76Å
61	R	97.8	Very high	96.9	Very high	31 Å²	31	57.6 Å²	57.6	12%	0.117	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	57.7	28.5	-173.4	-53.5	166.8	63.8	-159.8	9.4	113	P45 V50 A51 V54 S58 M59 V102	P45-R61 HydrophobicContact CG-CB 4.11Å; P45-R61 VanDerWaalsContact CG-CZ 3.41Å; V50-R61 PolarHBondContact O-NH1 3.32Å; A51-R61 PolarHBondContact O-NH1 3.3Å; A51-R61 PolarHBondContact O-NH2 2.88Å; V54-R61 PolarHBondContact O-NE 3.31Å; V54-R61 PolarHBondContact O-NH2 3.41Å; S58-R61 PolarHBondContact O-N 2.77Å; S58-R61 WeakPolarHBondContact OG-CA 3.46Å; M59-R61 PolarHBondContact O-N 2.76Å; R61-V102 HydrophobicContact CG-CG1 3.95Å
62	L	98.1	Very high	97	Very high	3 Å²	3	57 Å²	57	2%	0.016	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-68	158.4	172.8	-73.6	166.6	0	0	0	111	N42 P44 S58 M59 M60 V64 F75 F116 V121	N42-L62 HydrophobicContact CB-CD2 4.34Å; P44-L62 HydrophobicContact CG-CD2 4.37Å; S58-L62 WeakPolarHBondContact CB-O 3.44Å; S58-L62 PolarHBondContact OG-N 3.23Å; S58-L62 PolarHBondContact OG-O 3.38Å; M59-L62 WeakPolarHBondContact O-CB 3.47Å; M59-L62 WeakPolarHBondContact O-CG 3.43Å; M59-L62 PolarHBondContact O-N 3.18Å; M60-L62 HydrophobicContact CB-CD1 4.48Å; M60-L62 HydrophobicContact CB-CG 4.36Å; M60-L62 PolarHBondContact O-N 3.24Å; L62-V64 PolarHBondContact O-N 3Å; L62-F75 HydrophobicContact CD1-CD2 3.78Å; L62-F75 HydrophobicContact CD1-CE2 3.78Å; L62-F116 HydrophobicContact CD1-CE1 3.97Å; L62-F116 HydrophobicContact CD2-CD1 4.21Å; L62-F116 HydrophobicContact CD2-CE1 3.86Å; L62-F116 HydrophobicContact CG-CE1 4.39Å; L62-V121 HydrophobicContact CD1-CB 4.39Å; L62-V121 HydrophobicContact CD1-CG1 3.91Å
63	P	97.6	Very high	97.2	Very high	57 Å²	57	53.8 Å²	53.8	37%	0.37	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-55.6	137.4	170.9	-23.8	34.6	0	0	0	111.3	N42 A122 D123	N42-P63 HydrophobicContact CB-CG 4.32Å; P63-A122 WeakPolarHBondContact O-CB 3.49Å; P63-D123 PolarHBondContact O-N 3.48Å; P63-D123 VanDerWaalsContact O-N 3.09Å
64	V	98.2	Very high	97.4	Very high	85 Å²	85	48.4 Å²	48.4	52%	0.515	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-84.5	127.8	170.2	-177.9	0	0	0	0	108.5	V56 L62 D123	V56-V64 HydrophobicContact CG1-CG2 4.33Å; L62-V64 PolarHBondContact O-N 3Å; V64-D123 CarbonylContact C-O 3.6Å; V64-D123 VanDerWaalsContact CA-O 3.28Å; V64-D123 WeakPolarHBondContact CA-O 3.12Å
65	Q	97.4	Very high	97.6	Very high	61 Å²	61	45 Å²	45	29%	0.285	29%	0.289	S	S	.	.			trans	-125.8	150.8	177.9	-64.3	-172.3	4.8	0	0	110.4	N42 A122 D123 L124	N42-Q65 PolarHBondContact ND2-NE2 3.34Å; Q65-A122 HydrophobicContact CB-CB 4.22Å; Q65-A122 HydrophobicContact CG-CB 3.88Å; Q65-D123 PolarHBondContact N-O 3.16Å; Q65-L124 HydrophobicContact CB-CD2 4.14Å; Q65-L124 WeakPolarHBondContact O-CA 3.39Å; Q65-L124 WeakPolarHBondContact O-CD2 3.43Å
66	T	95.3	Very high	97.8	Very high	150 Å²	150	41.7 Å²	41.7	92%	0.92	25%	0.254	S	S	*	.	S	Bend	trans	-96.7	-0.4	-179	55.9	0	0	0	0	113.2
67	S	96.8	Very high	97.9	Very high	53 Å²	53	36.4 Å²	36.4	37%	0.371	22%	0.222	S	C	.	.			trans	-142	134.7	-168.4	-131	0	0	0	0	110.7	E69 L124	S67-E69 VanDerWaalsContact C-N 3.28Å; S67-E69 WeakPolarHBondContact CB-OE2 3.29Å; S67-E69 PolarHBondContact O-N 3.41Å; S67-E69 PolarHBondContact OG-OE2 2.96Å; S67-L124 WeakPolarHBondContact O-CD2 3.44Å
68	P	97.8	Very high	98	Very high	14 Å²	14	33.3 Å²	33.3	9%	0.091	20%	0.201	C	C	.	.			trans	-77	-9.5	176.8	32.4	-37.6	0	0	0	114.1	G70 L71 L124 I148 A151 C153	P68-G70 PolarHBondContact O-N 3.15Å; P68-L71 WeakPolarHBondContact O-CB 3.48Å; P68-L71 PolarHBondContact O-N 3.43Å; P68-L71 VanDerWaalsContact O-N 3.16Å; P68-L124 HydrophobicContact CB-CD1 4.12Å; P68-I148 HydrophobicContact CB-CG1 4.36Å; P68-I148 HydrophobicContact CG-CG1 4.49Å; P68-A151 HydrophobicContact CB-CB 3.94Å; P68-A151 HydrophobicContact CG-CB 3.79Å; P68-C153 HydrophobicContact CB-CB 4.06Å
69	E	97.6	Very high	98	Very high	121 Å²	121	34.4 Å²	34.4	57%	0.565	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	125.8	-175.8	-71.7	73.7	-170.2	0	0	111.9	S67 L71	S67-E69 VanDerWaalsContact C-N 3.28Å; S67-E69 WeakPolarHBondContact CB-OE2 3.29Å; S67-E69 PolarHBondContact O-N 3.41Å; S67-E69 PolarHBondContact OG-OE2 2.96Å; E69-L71 VanDerWaalsContact C-N 3.27Å; E69-L71 PolarHBondContact O-N 3.36Å
70	G	96.3	Very high	98	Very high	61 Å²	61	34.4 Å²	34.4	63%	0.629	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	-5.7	-179.7	0	0	0	0	0	114.5	P68	P68-G70 PolarHBondContact O-N 3.15Å
71	L	98.2	Very high	98.1	Very high	9 Å²	9	34.5 Å²	34.5	5%	0.047	21%	0.209	C	C	.	.			trans	-85.3	137.3	172.4	-58.3	-178.4	0	0	0	110.9	P68 E69 A74 T120 A122 L124	P68-L71 WeakPolarHBondContact O-CB 3.48Å; P68-L71 PolarHBondContact O-N 3.43Å; P68-L71 VanDerWaalsContact O-N 3.16Å; E69-L71 VanDerWaalsContact C-N 3.27Å; E69-L71 PolarHBondContact O-N 3.36Å; L71-A74 HydrophobicContact CD1-CB 4.06Å; L71-T120 HydrophobicContact CD2-CG2 3.79Å; L71-A122 HydrophobicContact CD1-CB 3.73Å; L71-A122 HydrophobicContact CD2-CB 3.81Å; L71-A122 HydrophobicContact CG-CB 4.45Å; L71-L124 HydrophobicContact CD1-CD2 3.87Å; L71-L124 HydrophobicContact CD1-CG 4.3Å
72	D	98.6	Very high	98.1	Very high	42 Å²	42	35.3 Å²	35.3	23%	0.225	22%	0.217	C	C	.	.	S	Bend	trans	-79.6	-37.7	168.2	-70.2	-70	0	0	0	110.7	L119 T120 I154 K348	D72-L119 HydrophobicContact CB-CB 4.03Å; D72-L119 HydrophobicContact CB-CD2 3.88Å; D72-L119 HydrophobicContact CB-CG 4.46Å; D72-T120 PolarHBondContact N-O 2.88Å; D72-T120 PolarHBondContact OD2-N 2.8Å; D72-I154 PolarHBondContact O-N 2.96Å; D72-K348 IonicContact OD1-NZ 3.37Å; D72-K348 PolarHBondContact OD1-NZ 2.63Å
73	A	98.8	Very high	98.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	157.6	178.2	0	0	0	0	0	110.7	L119 T120 V121 I154 L156 L346	A73-L119 HydrophobicContact CB-CD1 4.47Å; A73-T120 PolarHBondContact N-O 2.91Å; A73-V121 HydrophobicContact CB-CG2 4.46Å; A73-V121 WeakPolarHBondContact O-CA 3.32Å; A73-I154 CarbonylContact C-O 3.45Å; A73-I154 WeakPolarHBondContact CA-O 3.46Å; A73-I154 HydrophobicContact CB-CB 4.21Å; A73-L156 HydrophobicContact CB-CD1 3.99Å; A73-L346 HydrophobicContact CB-CD1 3.71Å
74	A	98.8	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	146.5	178.9	0	0	0	0	0	111.9	L71 I76 A122 L124 C153 I154 L156	L71-A74 HydrophobicContact CD1-CB 4.06Å; A74-I76 HydrophobicContact CB-CD1 4.1Å; A74-I76 WeakPolarHBondContact O-CD1 3.3Å; A74-A122 WeakPolarHBondContact CA-O 3.49Å; A74-L124 HydrophobicContact CB-CD1 3.46Å; A74-L124 VanDerWaalsContact CB-CD1 3.46Å; A74-L124 HydrophobicContact CB-CG 3.68Å; A74-C153 VanDerWaalsContact CB-SG 3.52Å; A74-I154 PolarHBondContact N-O 3.15Å; A74-L156 PolarHBondContact O-N 2.96Å
75	F	98.9	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.4	166.5	-69.4	-72.5	0	0	0	110.2	M59 M60 L62 V121 A122 L124 L156 L158 L339 L343	M59-F75 HydrophobicContact CB-CB 3.85Å; M59-F75 HydrophobicContact CB-CD2 4.02Å; M59-F75 HydrophobicContact CB-CG 3.92Å; M59-F75 HydrophobicContact CE-CD1 4.18Å; M59-F75 HydrophobicContact CE-CE1 3.79Å; M59-F75 HydrophobicContact CE-CZ 4.05Å; M59-F75 HydrophobicContact CG-CB 3.83Å; M59-F75 HydrophobicContact CG-CD1 3.65Å; M59-F75 HydrophobicContact CG-CD2 3.49Å; M59-F75 VanDerWaalsContact CG-CD2 3.49Å; M59-F75 HydrophobicContact CG-CE1 4.02Å; M59-F75 HydrophobicContact CG-CE2 3.86Å; M59-F75 HydrophobicContact CG-CG 3.37Å; M59-F75 HydrophobicContact CG-CZ 4.1Å; M60-F75 HydrophobicContact SD-CE2 4.44Å; M60-F75 HydrophobicContact SD-CZ 4.38Å; L62-F75 HydrophobicContact CD1-CD2 3.78Å; L62-F75 HydrophobicContact CD1-CE2 3.78Å; F75-V121 HydrophobicContact CD2-CG1 4.11Å; F75-V121 HydrophobicContact CE2-CG1 4.01Å; F75-A122 PolarHBondContact N-O 2.92Å; F75-L124 PolarHBondContact O-N 3.28Å; F75-L156 VanDerWaalsContact CA-O 3.27Å; F75-L156 WeakPolarHBondContact CA-O 3.39Å; F75-L156 HydrophobicContact CD1-CB 3.53Å; F75-L156 HydrophobicContact CD1-CD1 4.35Å; F75-L156 HydrophobicContact CD1-CG 4.45Å; F75-L156 HydrophobicContact CE1-CB 3.71Å; F75-L156 HydrophobicContact CE1-CD1 4.09Å; F75-L156 HydrophobicContact CE1-CD2 4.16Å; F75-L156 HydrophobicContact CE1-CG 4.23Å; F75-L156 HydrophobicContact CG-CB 4.38Å; F75-L156 HydrophobicContact CZ-CD1 4.31Å; F75-L158 HydrophobicContact CB-CD1 3.89Å; F75-L158 HydrophobicContact CD1-CD1 3.98Å; F75-L158 HydrophobicContact CG-CD1 4.37Å; F75-L339 HydrophobicContact CE1-CB 4.28Å; F75-L343 HydrophobicContact CE2-CD2 4.22Å; F75-L343 HydrophobicContact CZ-CB 4.39Å; F75-L343 HydrophobicContact CZ-CD2 4.01Å
76	I	98.9	Very high	98.1	Very high	4 Å²	4	36 Å²	36	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.9	-178.1	-51.8	99.5	0	0	0	109.4	A74 L124 V127 I148 P155 L156 T157 L158	A74-I76 HydrophobicContact CB-CD1 4.1Å; A74-I76 WeakPolarHBondContact O-CD1 3.3Å; I76-L124 HydrophobicContact CG1-CB 4.1Å; I76-L124 HydrophobicContact CG1-CD1 4.14Å; I76-V127 HydrophobicContact CG2-CG2 3.99Å; I76-I148 HydrophobicContact CD1-CD1 4.26Å; I76-I148 HydrophobicContact CG1-CD1 3.96Å; I76-P155 HydrophobicContact CD1-CB 3.62Å; I76-L156 PolarHBondContact N-O 2.82Å; I76-T157 CarbonylContact O-C 3.55Å; I76-T157 VanDerWaalsContact O-CA 3.28Å; I76-T157 WeakPolarHBondContact O-CA 3.45Å; I76-L158 PolarHBondContact O-N 2.8Å
77	G	98.9	Very high	98.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	143.5	171.6	0	0	0	0	0	112.8	G125 D126 V127 L158	G77-G125 PolarHBondContact N-O 3.12Å; G77-D126 WeakPolarHBondContact CA-OD1 3.28Å; G77-D126 CarbonylContact O-C 3.54Å; G77-D126 VanDerWaalsContact O-CA 3.27Å; G77-D126 WeakPolarHBondContact O-CA 3.46Å; G77-V127 PolarHBondContact O-N 3.47Å; G77-L158 CarbonylContact C-O 2.96Å; G77-L158 VanDerWaalsContact CA-O 3.3Å; G77-L158 WeakPolarHBondContact CA-O 3.28Å
78	V	98.9	Very high	98.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.204	C	C	.	.			trans	-128.1	85	171.3	-172.4	0	0	0	0	109.2	L80 V127 V129 I141 Y145 T157 L158 G159 G160 I164	V78-L80 VanDerWaalsContact C-N 3.33Å; V78-L80 PolarHBondContact O-N 3.35Å; V78-V127 HydrophobicContact CG2-CB 4.44Å; V78-V127 HydrophobicContact CG2-CG2 4.05Å; V78-V129 HydrophobicContact CG1-CG1 4.16Å; V78-I141 HydrophobicContact CG1-CD1 3.55Å; V78-I141 HydrophobicContact CG1-CG1 3.77Å; V78-Y145 HydrophobicContact CG2-CE2 3.96Å; V78-Y145 WeakPolarHBondContact CG2-OH 3.49Å; V78-T157 HydrophobicContact CB-CG2 4.44Å; V78-T157 HydrophobicContact CG2-CG2 3.77Å; V78-L158 PolarHBondContact N-O 2.86Å; V78-G159 CarbonylContact O-C 3.45Å; V78-G160 PolarHBondContact O-N 3.09Å; V78-I164 HydrophobicContact CB-CB 4.45Å; V78-I164 HydrophobicContact CB-CD1 3.71Å; V78-I164 HydrophobicContact CB-CG2 4.31Å; V78-I164 HydrophobicContact CG1-CB 3.91Å; V78-I164 HydrophobicContact CG1-CD1 4.13Å; V78-I164 HydrophobicContact CG1-CG2 3.56Å; V78-I164 HydrophobicContact CG2-CD1 4.24Å
79	P	98.8	Very high	98.4	Very high	28 Å²	28	34 Å²	34	18%	0.182	20%	0.202	C	C	.	.			trans	-81.6	70.8	-171.1	32.9	-36.1	0	0	0	112.6	R91 P94 D126 V129	P79-R91 WeakPolarHBondContact CB-O 3.5Å; P79-P94 HydrophobicContact CB-CG 4.19Å; P79-D126 HydrophobicContact CG-CB 4.21Å; P79-V129 HydrophobicContact CG-CG2 4.44Å; P79-V129 WeakPolarHBondContact O-CG2 3.39Å
80	L	98.8	Very high	98.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.175	C	C	.	.			trans	-128.3	133.1	-179	-174.5	72.7	0	0	0	111	V78 T82 V129 L131 L134 I141 G160 D161 I164	V78-L80 VanDerWaalsContact C-N 3.33Å; V78-L80 PolarHBondContact O-N 3.35Å; L80-T82 HydrophobicContact CD1-CG2 4.29Å; L80-T82 WeakPolarHBondContact CD1-OG1 3.14Å; L80-V129 HydrophobicContact CB-CG1 4.35Å; L80-V129 HydrophobicContact CB-CG2 4.43Å; L80-V129 HydrophobicContact CD1-CB 4.24Å; L80-V129 HydrophobicContact CD1-CG2 4.23Å; L80-L131 HydrophobicContact CD1-CD2 4.25Å; L80-L134 HydrophobicContact CD2-CD1 3.76Å; L80-I141 HydrophobicContact CD2-CD1 4.08Å; L80-G160 CarbonylContact O-C 3.49Å; L80-G160 WeakPolarHBondContact O-CA 3.4Å; L80-D161 PolarHBondContact O-N 3.21Å; L80-I164 HydrophobicContact CB-CG2 4.03Å; L80-I164 HydrophobicContact CD2-CG2 4.15Å
81	D	98.7	Very high	98.6	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.027	16%	0.16	C	C	.	.			trans	-141	22.9	173.9	65.9	5.7	0	0	0	112.7	G83 T84 G89 A90 R91 D161	D81-G83 PolarHBondContact O-N 3.13Å; D81-T84 WeakPolarHBondContact O-CB 3.19Å; D81-T84 PolarHBondContact O-N 3.46Å; D81-T84 PolarHBondContact O-OG1 2.88Å; D81-G89 VanDerWaalsContact OD2-CA 3.31Å; D81-G89 WeakPolarHBondContact OD2-CA 3.23Å; D81-G89 PolarHBondContact OD2-N 2.93Å; D81-A90 HydrophobicContact CB-CB 3.97Å; D81-A90 PolarHBondContact OD2-N 3.35Å; D81-R91 HydrophobicContact CB-CB 4.33Å; D81-R91 VanDerWaalsContact CG-NE 3.31Å; D81-R91 IonicContact OD1-CZ 3.04Å; D81-R91 IonicContact OD1-NE 2.67Å; D81-R91 PolarHBondContact OD1-NE 3.03Å; D81-R91 IonicContact OD1-NH2 2.63Å; D81-R91 PolarHBondContact OD1-NH2 3.35Å; D81-R91 WeakPolarHBondContact OD2-CG 3.4Å; D81-R91 PolarHBondContact OD2-N 3.35Å; D81-R91 VanDerWaalsContact OD2-N 3.1Å; D81-R91 IonicContact OD2-NE 3.23Å; D81-R91 PolarHBondContact OD2-NE 3.41Å; D81-D161 WeakPolarHBondContact CA-OD2 3.36Å; D81-D161 HydrophobicContact CB-CB 4.34Å
82	T	98.3	Very high	98.6	Very high	48 Å²	48	34.3 Å²	34.3	29%	0.294	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.1	-178.9	57.8	0	0	0	0	112.7	L80 L131 D161	L80-T82 HydrophobicContact CD1-CG2 4.29Å; L80-T82 WeakPolarHBondContact CD1-OG1 3.14Å; T82-L131 WeakPolarHBondContact CG2-O 3.43Å; T82-D161 PolarHBondContact N-OD2 2.91Å
83	G	98.1	Very high	98.6	Very high	3 Å²	3	32.3 Å²	32.3	3%	0.031	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-3.2	169	0	0	0	0	0	113	D81 D161 Y200 H201	D81-G83 PolarHBondContact O-N 3.13Å; G83-D161 VanDerWaalsContact C-OD2 3.27Å; G83-D161 WeakPolarHBondContact CA-OD2 3.33Å; G83-D161 PolarHBondContact N-OD2 2.69Å; G83-Y200 WeakPolarHBondContact O-CA 3.49Å; G83-Y200 VanDerWaalsContact O-CB 3.32Å; G83-Y200 WeakPolarHBondContact O-CB 3.3Å; G83-H201 PolarHBondContact O-CD2 3.07Å; G83-H201 PolarHBondContact O-N 3.4Å
84	T	98.4	Very high	98.6	Very high	26 Å²	26	32.3 Å²	32.3	16%	0.16	17%	0.171	C	C	.	.			trans	-67.8	134	175.1	-55.6	0	0	0	0	111.5	D81 R87 D161	D81-T84 WeakPolarHBondContact O-CB 3.19Å; D81-T84 PolarHBondContact O-N 3.46Å; D81-T84 PolarHBondContact O-OG1 2.88Å; T84-R87 WeakPolarHBondContact CG2-O 3.48Å; T84-D161 PolarHBondContact N-OD2 3.22Å; T84-D161 VanDerWaalsContact OG1-CB 3.3Å; T84-D161 WeakPolarHBondContact OG1-CB 3.09Å; T84-D161 PolarHBondContact OG1-OD2 2.85Å
85	S	97.2	Very high	98.6	Very high	90 Å²	90	40.3 Å²	40.3	63%	0.629	20%	0.202	S	C	*	.	S	Bend	trans	-91	-23.9	-178.3	63.1	0	0	0	0	114.8	H201	S85-H201 PolarHBondContact N-NE2 3.15Å; S85-H201 PolarHBondContact OG-NE2 3.32Å
86	N	97.8	Very high	98.6	Very high	103 Å²	103	43.3 Å²	43.3	55%	0.551	21%	0.213	S	C	*	.	S	Bend	trans	-121.2	-91.5	-173.6	-174.9	38.1	0	0	0	113.2	P88	N86-P88 WeakPolarHBondContact O-CD 3.29Å
87	R	98.7	Very high	98.6	Very high	99 Å²	99	43.1 Å²	43.1	37%	0.374	21%	0.212	S	C	.	.			trans	-96.7	108.3	-175	-70.7	173.1	-171.7	166.8	3.8	110.7	T84 G289 Y325	T84-R87 WeakPolarHBondContact CG2-O 3.48Å; R87-G289 WeakPolarHBondContact CB-O 3.49Å; R87-G289 WeakPolarHBondContact CD-O 3.49Å; R87-G289 WeakPolarHBondContact O-CA 3.49Å; R87-Y325 HydrophobicContact CB-CE2 3.77Å; R87-Y325 HydrophobicContact CG-CE1 4.35Å; R87-Y325 HydrophobicContact CG-CE2 4.36Å
88	P	98.6	Very high	98.6	Very high	70 Å²	70	43.8 Å²	43.8	46%	0.455	21%	0.214	S	C	.	.			trans	-75.7	173.2	178	34.6	-37.2	0	0	0	111.3	N86 S322 Y325	N86-P88 WeakPolarHBondContact O-CD 3.29Å; P88-S322 PolarHBondContact O-OG 3.2Å; P88-Y325 WeakPolarHBondContact O-CE2 3.35Å
89	G	98.7	Very high	98.6	Very high	5 Å²	5	47.4 Å²	47.4	5%	0.052	23%	0.231	C	C	.	.			trans	133.9	-14.5	176.4	0	0	0	0	0	113.5	D81 R91 F92 S322 P323	D81-G89 VanDerWaalsContact OD2-CA 3.31Å; D81-G89 WeakPolarHBondContact OD2-CA 3.23Å; D81-G89 PolarHBondContact OD2-N 2.93Å; G89-R91 PolarHBondContact O-N 3.11Å; G89-R91 VanDerWaalsContact O-N 3.12Å; G89-F92 PolarHBondContact O-N 3.41Å; G89-S322 WeakPolarHBondContact CA-OG 3.37Å; G89-P323 WeakPolarHBondContact O-CD 3.2Å
90	A	98.9	Very high	98.6	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.008	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-62.4	-20.3	-179.4	0	0	0	0	0	113	D81 F92 G93 G160 V321	D81-A90 HydrophobicContact CB-CB 3.97Å; D81-A90 PolarHBondContact OD2-N 3.35Å; A90-F92 PolarHBondContact O-N 3.43Å; A90-G93 PolarHBondContact O-N 3.18Å; A90-G160 WeakPolarHBondContact O-CA 3.49Å; A90-V321 WeakPolarHBondContact CA-O 3.2Å
91	R	98.8	Very high	98.6	Very high	80 Å²	80	47.7 Å²	47.7	30%	0.302	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-57.8	-21.5	171.5	73.5	179.6	70.7	-175.9	-3.7	113.6	P79 D81 G89	P79-R91 WeakPolarHBondContact CB-O 3.5Å; D81-R91 HydrophobicContact CB-CB 4.33Å; D81-R91 VanDerWaalsContact CG-NE 3.31Å; D81-R91 IonicContact OD1-CZ 3.04Å; D81-R91 IonicContact OD1-NE 2.67Å; D81-R91 PolarHBondContact OD1-NE 3.03Å; D81-R91 IonicContact OD1-NH2 2.63Å; D81-R91 PolarHBondContact OD1-NH2 3.35Å; D81-R91 WeakPolarHBondContact OD2-CG 3.4Å; D81-R91 PolarHBondContact OD2-N 3.35Å; D81-R91 VanDerWaalsContact OD2-N 3.1Å; D81-R91 IonicContact OD2-NE 3.23Å; D81-R91 PolarHBondContact OD2-NE 3.41Å; G89-R91 PolarHBondContact O-N 3.11Å; G89-R91 VanDerWaalsContact O-N 3.12Å
92	F	98.9	Very high	98.5	Very high	116 Å²	116	49 Å²	49	51%	0.509	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-92	-9	176.2	-58.3	-66.7	0	0	0	113.4	G89 A90 R95 R96 P323	G89-F92 PolarHBondContact O-N 3.41Å; A90-F92 PolarHBondContact O-N 3.43Å; F92-R95 PolarHBondContact O-N 3.46Å; F92-R96 PolarHBondContact O-N 3.06Å; F92-R96 VanDerWaalsContact O-N 3.17Å; F92-P323 HydrophobicContact CB-CB 4.4Å; F92-P323 HydrophobicContact CB-CG 3.82Å
93	G	98.9	Very high	98.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-50.4	-53.3	179.7	0	0	0	0	0	113.5	A90 R95 R96 I97 V321	A90-G93 PolarHBondContact O-N 3.18Å; G93-R95 PolarHBondContact O-N 3.36Å; G93-R95 VanDerWaalsContact O-N 3.14Å; G93-R96 PolarHBondContact O-N 3Å; G93-R96 VanDerWaalsContact O-N 3.09Å; G93-I97 VanDerWaalsContact O-CG1 3.29Å; G93-I97 WeakPolarHBondContact O-CG1 3.49Å; G93-I97 PolarHBondContact O-N 3.18Å; G93-V321 VanDerWaalsContact CA-O 3.26Å; G93-V321 WeakPolarHBondContact CA-O 3.47Å
94	P	98.9	Very high	98.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-33.8	-176.1	-25.3	35.5	0	0	0	113.2	P79 R98 L158 G159	P79-P94 HydrophobicContact CB-CG 4.19Å; P94-R98 VanDerWaalsContact O-CG 3.31Å; P94-R98 WeakPolarHBondContact O-CG 3.37Å; P94-R98 PolarHBondContact O-N 2.94Å; P94-R98 PolarHBondContact O-NH1 3.36Å; P94-L158 HydrophobicContact CB-CB 3.97Å; P94-L158 HydrophobicContact CG-CB 4.41Å; P94-L158 WeakPolarHBondContact CG-O 3.46Å; P94-G159 WeakPolarHBondContact CD-O 3.35Å; P94-G159 VanDerWaalsContact CG-O 3.32Å; P94-G159 WeakPolarHBondContact CG-O 3.45Å
95	R	98.8	Very high	98.1	Very high	168 Å²	168	58.1 Å²	58.1	63%	0.634	27%	0.269	S	S	*	.	H	α-helix	trans	-70.3	-48.5	176.7	-176	173.2	-65.6	-144.1	-1.8	111.2	F92 G93 I97 R98 E99	F92-R95 PolarHBondContact O-N 3.46Å; G93-R95 PolarHBondContact O-N 3.36Å; G93-R95 VanDerWaalsContact O-N 3.14Å; R95-I97 VanDerWaalsContact C-N 3.34Å; R95-I97 PolarHBondContact O-N 3.48Å; R95-R98 PolarHBondContact O-N 2.98Å; R95-E99 WeakPolarHBondContact O-CG 3.4Å; R95-E99 PolarHBondContact O-N 3.03Å
96	R	98.8	Very high	98	Very high	62 Å²	62	56.3 Å²	56.3	23%	0.234	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-36.9	-177.8	-165	69.3	-179.2	129.3	12.4	112.2	F92 G93 E99 E100 P323 A332	F92-R96 PolarHBondContact O-N 3.06Å; F92-R96 VanDerWaalsContact O-N 3.17Å; G93-R96 PolarHBondContact O-N 3Å; G93-R96 VanDerWaalsContact O-N 3.09Å; R96-E99 WeakPolarHBondContact CD-OE2 3.34Å; R96-E99 IonicContact CZ-OE2 3.75Å; R96-E99 IonicContact NE-OE2 4Å; R96-E99 IonicContact NH1-OE2 2.76Å; R96-E99 PolarHBondContact NH1-OE2 2.87Å; R96-E99 WeakPolarHBondContact O-CB 3.43Å; R96-E99 PolarHBondContact O-N 3.41Å; R96-E100 IonicContact CZ-OE1 2.72Å; R96-E100 IonicContact NE-OE1 3.2Å; R96-E100 IonicContact NH1-OE1 3.46Å; R96-E100 PolarHBondContact NH1-OE1 3.45Å; R96-E100 IonicContact NH2-OE1 3.4Å; R96-E100 PolarHBondContact NH2-OE1 3.44Å; R96-E100 PolarHBondContact O-N 2.97Å; R96-P323 HydrophobicContact CB-CB 4.15Å; R96-P323 HydrophobicContact CB-CG 3.54Å; R96-P323 HydrophobicContact CG-CB 4.16Å; R96-P323 HydrophobicContact CG-CG 4.03Å; R96-A332 HydrophobicContact CB-CB 4.01Å; R96-A332 HydrophobicContact CG-CB 3.46Å; R96-A332 VanDerWaalsContact CG-CB 3.46Å
97	I	98.9	Very high	97.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-44.5	174.3	-66	166.3	0	0	0	110.6	M59 G93 R95 E99 E100 S101 L158 L318 V321 A332 A335 A336 L339	M59-I97 HydrophobicContact SD-CG2 4.28Å; G93-I97 VanDerWaalsContact O-CG1 3.29Å; G93-I97 WeakPolarHBondContact O-CG1 3.49Å; G93-I97 PolarHBondContact O-N 3.18Å; R95-I97 VanDerWaalsContact C-N 3.34Å; R95-I97 PolarHBondContact O-N 3.48Å; I97-E99 VanDerWaalsContact C-N 3.33Å; I97-E99 PolarHBondContact O-N 3.35Å; I97-E100 PolarHBondContact O-N 3.17Å; I97-S101 VanDerWaalsContact O-CB 3.29Å; I97-S101 WeakPolarHBondContact O-CB 3.41Å; I97-S101 PolarHBondContact O-N 3.02Å; I97-L158 HydrophobicContact CB-CD2 3.83Å; I97-L158 HydrophobicContact CD1-CB 4.31Å; I97-L158 HydrophobicContact CG2-CD2 3.47Å; I97-L158 VanDerWaalsContact CG2-CD2 3.47Å; I97-L158 HydrophobicContact CG2-CG 4.08Å; I97-L318 HydrophobicContact CD1-CD2 4.5Å; I97-V321 HydrophobicContact CD1-CB 4.14Å; I97-V321 HydrophobicContact CD1-CG1 4.41Å; I97-V321 HydrophobicContact CD1-CG2 3.97Å; I97-V321 HydrophobicContact CG1-CG1 4.23Å; I97-V321 HydrophobicContact CG1-CG2 4.43Å; I97-A332 HydrophobicContact CG1-CB 4.38Å; I97-A335 HydrophobicContact CD1-CB 4.03Å; I97-A335 HydrophobicContact CG1-CB 3.96Å; I97-A336 HydrophobicContact CG2-CB 4.08Å; I97-L339 HydrophobicContact CG2-CD1 3.83Å
98	R	98.9	Very high	97.9	Very high	15 Å²	15	49.8 Å²	49.8	6%	0.057	23%	0.229	C	C	.	.	H	α-helix	trans	-59.6	-43.6	175	-74.6	-177.8	179	102.6	-8.5	112	M59 P94 R95 E100 S101 D123 G125 D126 L158	M59-R98 HydrophobicContact CB-CG 4.19Å; P94-R98 VanDerWaalsContact O-CG 3.31Å; P94-R98 WeakPolarHBondContact O-CG 3.37Å; P94-R98 PolarHBondContact O-N 2.94Å; P94-R98 PolarHBondContact O-NH1 3.36Å; R95-R98 PolarHBondContact O-N 2.98Å; R98-E100 PolarHBondContact O-N 3.33Å; R98-S101 PolarHBondContact O-N 2.88Å; R98-S101 PolarHBondContact O-OG 3.17Å; R98-D123 IonicContact CZ-OD1 3.08Å; R98-D123 IonicContact CZ-OD2 3.83Å; R98-D123 IonicContact NE-OD1 3.38Å; R98-D123 IonicContact NE-OD2 3.07Å; R98-D123 PolarHBondContact NE-OD2 2.91Å; R98-D123 IonicContact NH2-OD1 3.9Å; R98-D123 PolarHBondContact NH2-OD1 3.47Å; R98-D123 IonicContact NH2-OD2 3.51Å; R98-G125 VanDerWaalsContact NH2-C 3.26Å; R98-G125 PolarHBondContact NH2-O 3.39Å; R98-D126 IonicContact CZ-OD1 3.48Å; R98-D126 VanDerWaalsContact CZ-OD1 3.24Å; R98-D126 IonicContact NH1-OD1 3.07Å; R98-D126 PolarHBondContact NH1-OD1 3.12Å; R98-D126 IonicContact NH1-OD2 3.99Å; R98-D126 IonicContact NH2-OD1 2.88Å; R98-D126 PolarHBondContact NH2-OD1 3.45Å; R98-L158 HydrophobicContact CG-CD2 3.93Å
99	E	98.4	Very high	97.8	Very high	76 Å²	76	52.1 Å²	52.1	36%	0.355	24%	0.244	S	C	.	.	H	α-helix	trans	-57	-49.2	177.1	-72.4	171.7	-169.3	0	0	112	C57 R95 R96 I97 S101 V102	C57-E99 VanDerWaalsContact SG-CA 3.51Å; C57-E99 VanDerWaalsContact SG-CG 3.56Å; R95-E99 WeakPolarHBondContact O-CG 3.4Å; R95-E99 PolarHBondContact O-N 3.03Å; R96-E99 WeakPolarHBondContact CD-OE2 3.34Å; R96-E99 IonicContact CZ-OE2 3.75Å; R96-E99 IonicContact NE-OE2 4Å; R96-E99 IonicContact NH1-OE2 2.76Å; R96-E99 PolarHBondContact NH1-OE2 2.87Å; R96-E99 WeakPolarHBondContact O-CB 3.43Å; R96-E99 PolarHBondContact O-N 3.41Å; I97-E99 VanDerWaalsContact C-N 3.33Å; I97-E99 PolarHBondContact O-N 3.35Å; E99-S101 VanDerWaalsContact C-N 3.35Å; E99-S101 PolarHBondContact O-N 3.02Å; E99-V102 WeakPolarHBondContact O-CG2 3.43Å
100	E	98.6	Very high	97.6	Very high	33 Å²	33	56.1 Å²	56.1	15%	0.154	27%	0.271	C	S	.	.	H	α-helix	trans	-77.3	-20.6	-177.8	-63.8	-59	154.5	0	0	113.4	R96 I97 R98 V102 M103 A332 L333	R96-E100 IonicContact CZ-OE1 2.72Å; R96-E100 IonicContact NE-OE1 3.2Å; R96-E100 IonicContact NH1-OE1 3.46Å; R96-E100 PolarHBondContact NH1-OE1 3.45Å; R96-E100 IonicContact NH2-OE1 3.4Å; R96-E100 PolarHBondContact NH2-OE1 3.44Å; R96-E100 PolarHBondContact O-N 2.97Å; I97-E100 PolarHBondContact O-N 3.17Å; R98-E100 PolarHBondContact O-N 3.33Å; E100-V102 PolarHBondContact O-N 3.34Å; E100-M103 PolarHBondContact O-N 3.25Å; E100-A332 HydrophobicContact CB-CB 4.43Å; E100-A332 HydrophobicContact CG-CB 3.94Å; E100-L333 HydrophobicContact CB-CB 4.07Å; E100-L333 HydrophobicContact CB-CD1 4.44Å; E100-L333 HydrophobicContact CG-CB 4.44Å
101	S	98.6	Very high	97.5	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.007	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-62.8	-14.8	-180	76.6	0	0	0	0	114.3	M59 M60 I97 R98 E99 M103 L104	M59-S101 WeakPolarHBondContact SD-CB 3.36Å; M60-S101 PolarHBondContact N-OG 3.43Å; I97-S101 VanDerWaalsContact O-CB 3.29Å; I97-S101 WeakPolarHBondContact O-CB 3.41Å; I97-S101 PolarHBondContact O-N 3.02Å; R98-S101 PolarHBondContact O-N 2.88Å; R98-S101 PolarHBondContact O-OG 3.17Å; E99-S101 VanDerWaalsContact C-N 3.35Å; E99-S101 PolarHBondContact O-N 3.02Å; S101-M103 PolarHBondContact O-N 3.43Å; S101-M103 VanDerWaalsContact O-N 3.08Å; S101-L104 WeakPolarHBondContact O-CB 3.45Å; S101-L104 PolarHBondContact O-N 2.75Å; S101-L104 VanDerWaalsContact O-N 3.07Å
102	V	97.3	Very high	97.4	Very high	33 Å²	33	55 Å²	55	20%	0.2	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-61.4	-16.8	177	-57.6	0	0	0	0	113.3	R52 R61 E99 E100	R52-V102 HydrophobicContact CB-CB 4.45Å; R52-V102 WeakPolarHBondContact CD-O 3.46Å; R52-V102 PolarHBondContact NH1-O 3.24Å; R61-V102 HydrophobicContact CG-CG1 3.95Å; E99-V102 WeakPolarHBondContact O-CG2 3.43Å; E100-V102 PolarHBondContact O-N 3.34Å
103	M	94.7	Very high	97.4	Very high	87 Å²	87	49.5 Å²	49.5	43%	0.429	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-81.1	-16.9	177	-66.1	-156.8	-79	0	0	113.9	E100 S101 L333	E100-M103 PolarHBondContact O-N 3.25Å; S101-M103 PolarHBondContact O-N 3.43Å; S101-M103 VanDerWaalsContact O-N 3.08Å; M103-L333 HydrophobicContact CB-CD1 4.29Å; M103-L333 HydrophobicContact CE-CB 4.47Å; M103-L333 HydrophobicContact CE-CD1 3.35Å; M103-L333 HydrophobicContact CE-CD2 3.31Å; M103-L333 HydrophobicContact CE-CG 3.83Å
104	L	96.4	Very high	97.3	Very high	11 Å²	11	50.7 Å²	50.7	6%	0.058	26%	0.258	C	S	.	.			trans	-69.7	161.7	-177.8	-62.7	170.1	0	0	0	112.3	R52 M59 M60 S101 A336 N337 F340	R52-L104 PolarHBondContact NH1-O 3.19Å; M59-L104 HydrophobicContact CE-CD1 4.44Å; M60-L104 HydrophobicContact CE-CB 3.63Å; M60-L104 HydrophobicContact CE-CD1 4.21Å; M60-L104 HydrophobicContact CG-CB 4.33Å; M60-L104 HydrophobicContact CG-CD1 3.71Å; M60-L104 HydrophobicContact SD-CB 4.4Å; M60-L104 HydrophobicContact SD-CD1 3.88Å; S101-L104 WeakPolarHBondContact O-CB 3.45Å; S101-L104 PolarHBondContact O-N 2.75Å; S101-L104 VanDerWaalsContact O-N 3.07Å; L104-A336 HydrophobicContact CD1-CB 3.96Å; L104-A336 WeakPolarHBondContact CD1-O 3.33Å; L104-N337 HydrophobicContact CD2-CB 4.3Å; L104-N337 VanDerWaalsContact CD2-OD1 3.32Å; L104-N337 WeakPolarHBondContact CD2-OD1 3.48Å; L104-F340 HydrophobicContact CD1-CB 4.19Å; L104-F340 HydrophobicContact CD2-CB 4.36Å
105	R	95.2	Very high	97.3	Very high	170 Å²	170	50.7 Å²	50.7	64%	0.642	26%	0.258	S	S	*	.			trans	-122.2	176.6	179.6	-68.5	-178.8	-179.3	77.3	-3.7	110.1	M60 F340	M60-R105 VanDerWaalsContact CE-O 3.32Å; M60-R105 WeakPolarHBondContact CE-O 3.36Å; R105-F340 WeakPolarHBondContact O-CE2 3.39Å
106	T	95.7	Very high	97.2	Very high	51 Å²	51	42.9 Å²	42.9	31%	0.313	23%	0.229	S	C	.	.	S	Bend	trans	-88.5	-13.6	-169.8	55.1	0	0	0	0	114.6	P44 F116	P44-T106 HydrophobicContact CB-CG2 4.11Å; P44-T106 HydrophobicContact CG-CG2 4.06Å; T106-F116 HydrophobicContact CG2-CD2 4.18Å; T106-F116 WeakPolarHBondContact O-CD2 3.16Å
107	V	96.3	Very high	97.1	Very high	58 Å²	58	45.4 Å²	45.4	35%	0.352	24%	0.243	S	C	.	.			trans	-133.5	150.3	-173.5	-57.7	0	0	0	0	111.1	P109 L114	V107-P109 WeakPolarHBondContact O-CD 3.35Å; V107-L114 HydrophobicContact CB-CD2 4.04Å; V107-L114 HydrophobicContact CG1-CD2 3.49Å; V107-L114 VanDerWaalsContact CG1-CD2 3.49Å
108	N	97.3	Very high	97	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.043	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-105.5	100.3	171.1	-168.8	-29.2	0	0	0	110	S110 T111 G112 A113 F340 E341	N108-S110 VanDerWaalsContact C-N 3.27Å; N108-S110 PolarHBondContact O-N 3.2Å; N108-S110 PolarHBondContact OD1-N 3.4Å; N108-S110 VanDerWaalsContact OD1-N 3.17Å; N108-T111 WeakPolarHBondContact CB-OG1 3.42Å; N108-T111 PolarHBondContact O-N 3.23Å; N108-T111 PolarHBondContact OD1-N 2.99Å; N108-G112 CarbonylContact O-C 3.52Å; N108-G112 WeakPolarHBondContact O-CA 3.21Å; N108-G112 PolarHBondContact O-N 3.49Å; N108-A113 HydrophobicContact CB-CB 4.11Å; N108-A113 PolarHBondContact N-O 2.84Å; N108-A113 PolarHBondContact O-N 3.1Å; N108-F340 HydrophobicContact CB-CE1 4.13Å; N108-E341 PolarHBondContact ND2-OE1 3.07Å; N108-E341 PolarHBondContact ND2-OE2 2.89Å
109	P	96.3	Very high	96.9	Very high	118 Å²	118	45.6 Å²	45.6	77%	0.766	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.2	-176	29.2	-35.5	0	0	0	113.4	V107	V107-P109 WeakPolarHBondContact O-CD 3.35Å
110	S	95.9	Very high	96.9	Very high	90 Å²	90	43.6 Å²	43.6	63%	0.629	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-29.2	179.1	-61.1	0	0	0	0	112.7	N108	N108-S110 VanDerWaalsContact C-N 3.27Å; N108-S110 PolarHBondContact O-N 3.2Å; N108-S110 PolarHBondContact OD1-N 3.4Å; N108-S110 VanDerWaalsContact OD1-N 3.17Å
111	T	96.4	Very high	96.9	Very high	45 Å²	45	42 Å²	42	28%	0.276	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-9.8	180	62.4	0	0	0	0	113.3	N108 A113 R306	N108-T111 WeakPolarHBondContact CB-OG1 3.42Å; N108-T111 PolarHBondContact O-N 3.23Å; N108-T111 PolarHBondContact OD1-N 2.99Å; T111-A113 PolarHBondContact O-N 3.38Å; T111-A113 WeakPolarHBondContact OG1-CB 3.09Å; T111-A113 PolarHBondContact OG1-N 2.92Å; T111-R306 HydrophobicContact CG2-CG 4.14Å
112	G	97.1	Very high	96.9	Very high	13 Å²	13	42 Å²	42	13%	0.134	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	8.7	-172.1	0	0	0	0	0	113.8	N108 T351 V352	N108-G112 CarbonylContact O-C 3.52Å; N108-G112 WeakPolarHBondContact O-CA 3.21Å; N108-G112 PolarHBondContact O-N 3.49Å; G112-T351 WeakPolarHBondContact O-CA 3.36Å; G112-V352 PolarHBondContact O-N 3.13Å
113	A	97.7	Very high	97	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-73.4	135.8	-172.8	0	0	0	0	0	113.4	N108 T111 P115 C344 V349 T350 T351	N108-A113 HydrophobicContact CB-CB 4.11Å; N108-A113 PolarHBondContact N-O 2.84Å; N108-A113 PolarHBondContact O-N 3.1Å; T111-A113 PolarHBondContact O-N 3.38Å; T111-A113 WeakPolarHBondContact OG1-CB 3.09Å; T111-A113 PolarHBondContact OG1-N 2.92Å; A113-P115 WeakPolarHBondContact O-CD 3.1Å; A113-C344 HydrophobicContact CB-CB 3.8Å; A113-V349 HydrophobicContact CB-CG1 4.02Å; A113-T350 WeakPolarHBondContact CA-O 3.18Å; A113-T351 HydrophobicContact CB-CG2 4.15Å
114	L	97.5	Very high	97.2	Very high	25 Å²	25	37.8 Å²	37.8	13%	0.131	21%	0.21	C	C	.	.			trans	-122.8	66.6	-177.3	-56.9	174.2	0	0	0	111.3	V107 F116 Q117 S118 T350 V352	V107-L114 HydrophobicContact CB-CD2 4.04Å; V107-L114 HydrophobicContact CG1-CD2 3.49Å; V107-L114 VanDerWaalsContact CG1-CD2 3.49Å; L114-F116 PolarHBondContact O-N 2.94Å; L114-Q117 HydrophobicContact CB-CB 4.11Å; L114-Q117 HydrophobicContact CB-CG 4.37Å; L114-Q117 PolarHBondContact O-N 2.97Å; L114-S118 WeakPolarHBondContact O-CB 3.16Å; L114-S118 PolarHBondContact O-N 3.39Å; L114-S118 PolarHBondContact O-OG 2.47Å; L114-T350 PolarHBondContact N-O 2.89Å; L114-V352 HydrophobicContact CD1-CG1 3.9Å; L114-V352 HydrophobicContact CD1-CG2 3.95Å; L114-V352 HydrophobicContact CG-CG2 4.4Å
115	P	97.7	Very high	97.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-46.2	-169.7	23.5	-34	0	0	0	113.3	A113 Q117 S118 L119 F340 L343 V349	A113-P115 WeakPolarHBondContact O-CD 3.1Å; P115-Q117 VanDerWaalsContact C-N 3.26Å; P115-Q117 PolarHBondContact O-N 2.67Å; P115-S118 PolarHBondContact O-N 3.27Å; P115-L119 PolarHBondContact O-N 2.93Å; P115-F340 HydrophobicContact CG-CE2 3.86Å; P115-F340 HydrophobicContact CG-CZ 4.22Å; P115-L343 HydrophobicContact CB-CD1 4.37Å; P115-L343 HydrophobicContact CB-CD2 3.95Å; P115-L343 HydrophobicContact CB-CG 3.76Å; P115-L343 HydrophobicContact CG-CD2 4.26Å; P115-L343 HydrophobicContact CG-CG 4.4Å; P115-V349 HydrophobicContact CB-CG1 4.38Å; P115-V349 HydrophobicContact CB-CG2 4.37Å
116	F	97.4	Very high	97.5	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.022	21%	0.206	C	C	.	.	H	α-helix	trans	-73.4	-16.3	-178.6	-57.3	-62.6	0	0	0	114.1	R41 Q43 P44 M60 L62 T106 L114 V121 F340 L343	R41-F116 WeakPolarHBondContact CB-O 3.43Å; R41-F116 WeakPolarHBondContact CD-O 3.42Å; Q43-F116 HydrophobicContact CB-CB 3.9Å; Q43-F116 HydrophobicContact CB-CG 4.31Å; P44-F116 HydrophobicContact CG-CD2 4.31Å; P44-F116 HydrophobicContact CG-CE2 3.81Å; P44-F116 HydrophobicContact CG-CZ 3.93Å; M60-F116 HydrophobicContact CE-CE2 3.61Å; M60-F116 HydrophobicContact CE-CZ 3.6Å; M60-F116 HydrophobicContact SD-CE2 4.4Å; M60-F116 HydrophobicContact SD-CZ 3.8Å; L62-F116 HydrophobicContact CD1-CE1 3.97Å; L62-F116 HydrophobicContact CD2-CD1 4.21Å; L62-F116 HydrophobicContact CD2-CE1 3.86Å; L62-F116 HydrophobicContact CG-CE1 4.39Å; T106-F116 HydrophobicContact CG2-CD2 4.18Å; T106-F116 WeakPolarHBondContact O-CD2 3.16Å; L114-F116 PolarHBondContact O-N 2.94Å; F116-V121 HydrophobicContact CD1-CB 4.39Å; F116-V121 HydrophobicContact CD1-CG2 4.35Å; F116-V121 HydrophobicContact CE1-CB 4.26Å; F116-V121 HydrophobicContact CE1-CG2 4.44Å; F116-F340 AromaticContact CE2-CE2 3.98Å; F116-F340 HydrophobicContact CE2-CE2 3.98Å; F116-L343 HydrophobicContact CE1-CD2 3.85Å; F116-L343 HydrophobicContact CZ-CD2 3.75Å
117	Q	96	Very high	97.6	Very high	115 Å²	115	32 Å²	32	54%	0.537	20%	0.195	S	C	.	.	H	α-helix	trans	-85.3	-16.6	170.2	-59.9	-175.7	16.3	0	0	111.9	R41 L114 P115	R41-Q117 WeakPolarHBondContact CD-O 3.44Å; R41-Q117 PolarHBondContact NE-O 2.94Å; R41-Q117 PolarHBondContact NH1-O 3.27Å; L114-Q117 HydrophobicContact CB-CB 4.11Å; L114-Q117 HydrophobicContact CB-CG 4.37Å; L114-Q117 PolarHBondContact O-N 2.97Å; P115-Q117 VanDerWaalsContact C-N 3.26Å; P115-Q117 PolarHBondContact O-N 2.67Å
118	S	96.8	Very high	97.7	Very high	14 Å²	14	35.3 Å²	35.3	10%	0.098	21%	0.211	C	C	.	.	H	α-helix	trans	-101.5	-38.6	-174.2	-55.7	0	0	0	0	112.5	R41 L114 P115 K348 T350	R41-S118 PolarHBondContact NE-O 3.16Å; L114-S118 WeakPolarHBondContact O-CB 3.16Å; L114-S118 PolarHBondContact O-N 3.39Å; L114-S118 PolarHBondContact O-OG 2.47Å; P115-S118 PolarHBondContact O-N 3.27Å; S118-K348 WeakPolarHBondContact CB-O 3.33Å; S118-T350 PolarHBondContact OG-N 3.05Å; S118-T350 PolarHBondContact OG-OG1 3.47Å
119	L	98.1	Very high	97.7	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	21%	0.214	C	C	.	.	S	Bend	trans	-122.8	146.6	-169.4	-56.6	-179.9	0	0	0	111.7	D72 A73 P115 V121 L343 L346 K348 V349	D72-L119 HydrophobicContact CB-CB 4.03Å; D72-L119 HydrophobicContact CB-CD2 3.88Å; D72-L119 HydrophobicContact CB-CG 4.46Å; A73-L119 HydrophobicContact CB-CD1 4.47Å; P115-L119 PolarHBondContact O-N 2.93Å; L119-V121 HydrophobicContact CB-CG2 3.77Å; L119-L343 HydrophobicContact CD1-CD1 4.22Å; L119-L346 HydrophobicContact CD1-CB 4.23Å; L119-L346 HydrophobicContact CD1-CD1 4.21Å; L119-K348 HydrophobicContact CD2-CB 4.05Å; L119-K348 HydrophobicContact CD2-CD 4.43Å; L119-V349 HydrophobicContact CD1-CG2 3.65Å; L119-V349 HydrophobicContact CG-CG2 4.09Å
120	T	98.3	Very high	97.8	Very high	35 Å²	35	32.2 Å²	32.2	22%	0.215	19%	0.188	C	C	.	.			trans	-84.3	112.6	163.9	-55.5	0	0	0	0	109.2	L71 D72 A73	L71-T120 HydrophobicContact CD2-CG2 3.79Å; D72-T120 PolarHBondContact N-O 2.88Å; D72-T120 PolarHBondContact OD2-N 2.8Å; A73-T120 PolarHBondContact N-O 2.91Å
121	V	98.6	Very high	97.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.8	-174	-167.9	0	0	0	0	111.6	N42 L62 A73 F75 F116 L119 L343	N42-V121 WeakPolarHBondContact CB-O 3.26Å; N42-V121 PolarHBondContact ND2-O 2.99Å; L62-V121 HydrophobicContact CD1-CB 4.39Å; L62-V121 HydrophobicContact CD1-CG1 3.91Å; A73-V121 HydrophobicContact CB-CG2 4.46Å; A73-V121 WeakPolarHBondContact O-CA 3.32Å; F75-V121 HydrophobicContact CD2-CG1 4.11Å; F75-V121 HydrophobicContact CE2-CG1 4.01Å; F116-V121 HydrophobicContact CD1-CB 4.39Å; F116-V121 HydrophobicContact CD1-CG2 4.35Å; F116-V121 HydrophobicContact CE1-CB 4.26Å; F116-V121 HydrophobicContact CE1-CG2 4.44Å; L119-V121 HydrophobicContact CB-CG2 3.77Å; V121-L343 HydrophobicContact CG1-CD1 4.47Å; V121-L343 HydrophobicContact CG2-CD1 4.1Å
122	A	98.7	Very high	98	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	168.8	173.3	0	0	0	0	0	111.7	P63 Q65 L71 A74 F75	P63-A122 WeakPolarHBondContact O-CB 3.49Å; Q65-A122 HydrophobicContact CB-CB 4.22Å; Q65-A122 HydrophobicContact CG-CB 3.88Å; L71-A122 HydrophobicContact CD1-CB 3.73Å; L71-A122 HydrophobicContact CD2-CB 3.81Å; L71-A122 HydrophobicContact CG-CB 4.45Å; A74-A122 WeakPolarHBondContact CA-O 3.49Å; F75-A122 PolarHBondContact N-O 2.92Å
123	D	98.9	Very high	98.1	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.011	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.4	165.8	-170.9	-21.7	0	0	0	108.5	S58 M59 P63 V64 Q65 R98 G125	S58-D123 WeakPolarHBondContact CA-OD2 3.5Å; S58-D123 WeakPolarHBondContact CB-OD2 3.22Å; M59-D123 HydrophobicContact CB-CB 4.45Å; M59-D123 PolarHBondContact N-OD2 2.97Å; P63-D123 PolarHBondContact O-N 3.48Å; P63-D123 VanDerWaalsContact O-N 3.09Å; V64-D123 CarbonylContact C-O 3.6Å; V64-D123 VanDerWaalsContact CA-O 3.28Å; V64-D123 WeakPolarHBondContact CA-O 3.12Å; Q65-D123 PolarHBondContact N-O 3.16Å; R98-D123 IonicContact CZ-OD1 3.08Å; R98-D123 IonicContact CZ-OD2 3.83Å; R98-D123 IonicContact NE-OD1 3.38Å; R98-D123 IonicContact NE-OD2 3.07Å; R98-D123 PolarHBondContact NE-OD2 2.91Å; R98-D123 IonicContact NH2-OD1 3.9Å; R98-D123 PolarHBondContact NH2-OD1 3.47Å; R98-D123 IonicContact NH2-OD2 3.51Å; D123-G125 VanDerWaalsContact C-N 3.3Å; D123-G125 WeakPolarHBondContact OD1-CA 3.39Å; D123-G125 PolarHBondContact OD1-N 2.67Å
124	L	98.8	Very high	98.1	Very high	30 Å²	30	42.7 Å²	42.7	16%	0.157	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	7.3	178.5	-69	178.6	0	0	0	113.2	Q65 S67 P68 L71 A74 F75 I76 I148	Q65-L124 HydrophobicContact CB-CD2 4.14Å; Q65-L124 WeakPolarHBondContact O-CA 3.39Å; Q65-L124 WeakPolarHBondContact O-CD2 3.43Å; S67-L124 WeakPolarHBondContact O-CD2 3.44Å; P68-L124 HydrophobicContact CB-CD1 4.12Å; L71-L124 HydrophobicContact CD1-CD2 3.87Å; L71-L124 HydrophobicContact CD1-CG 4.3Å; A74-L124 HydrophobicContact CB-CD1 3.46Å; A74-L124 VanDerWaalsContact CB-CD1 3.46Å; A74-L124 HydrophobicContact CB-CG 3.68Å; F75-L124 PolarHBondContact O-N 3.28Å; I76-L124 HydrophobicContact CG1-CB 4.1Å; I76-L124 HydrophobicContact CG1-CD1 4.14Å; L124-I148 HydrophobicContact CD1-CD1 4.37Å; L124-I148 HydrophobicContact CD1-CG1 4.17Å
125	G	98.7	Very high	98.2	Very high	20 Å²	20	46.1 Å²	46.1	21%	0.206	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.5	-145.2	-173.6	0	0	0	0	0	111.3	G77 R98 D123	G77-G125 PolarHBondContact N-O 3.12Å; R98-G125 VanDerWaalsContact NH2-C 3.26Å; R98-G125 PolarHBondContact NH2-O 3.39Å; D123-G125 VanDerWaalsContact C-N 3.3Å; D123-G125 WeakPolarHBondContact OD1-CA 3.39Å; D123-G125 PolarHBondContact OD1-N 2.67Å
126	D	98.9	Very high	98.2	Very high	76 Å²	76	47.4 Å²	47.4	41%	0.406	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147	-173.1	-62.3	-26.2	0	0	0	111.7	G77 P79 R98 N128	G77-D126 WeakPolarHBondContact CA-OD1 3.28Å; G77-D126 CarbonylContact O-C 3.54Å; G77-D126 VanDerWaalsContact O-CA 3.27Å; G77-D126 WeakPolarHBondContact O-CA 3.46Å; P79-D126 HydrophobicContact CG-CB 4.21Å; R98-D126 IonicContact CZ-OD1 3.48Å; R98-D126 VanDerWaalsContact CZ-OD1 3.24Å; R98-D126 IonicContact NH1-OD1 3.07Å; R98-D126 PolarHBondContact NH1-OD1 3.12Å; R98-D126 IonicContact NH1-OD2 3.99Å; R98-D126 IonicContact NH2-OD1 2.88Å; R98-D126 PolarHBondContact NH2-OD1 3.45Å; D126-N128 PolarHBondContact O-N 3.27Å
127	V	98.7	Very high	98.3	Very high	14 Å²	14	47.1 Å²	47.1	9%	0.085	24%	0.238	C	C	.	.			trans	-65.9	128.3	164.1	178.9	0	0	0	0	108.6	I76 G77 V78 V129 I141 A144 Y145	I76-V127 HydrophobicContact CG2-CG2 3.99Å; G77-V127 PolarHBondContact O-N 3.47Å; V78-V127 HydrophobicContact CG2-CB 4.44Å; V78-V127 HydrophobicContact CG2-CG2 4.05Å; V127-V129 HydrophobicContact CB-CG1 4.46Å; V127-V129 HydrophobicContact CG1-CG1 4.18Å; V127-V129 PolarHBondContact O-N 3.16Å; V127-I141 HydrophobicContact CG1-CG1 4.01Å; V127-A144 HydrophobicContact CG1-CB 4.16Å; V127-A144 HydrophobicContact CG2-CB 3.92Å; V127-Y145 HydrophobicContact CG2-CE2 4.02Å
128	N	97.8	Very high	98.4	Very high	128 Å²	128	42 Å²	42	68%	0.684	22%	0.215	S	C	*	.			trans	-75.2	92.4	175	-174.2	21.3	0	0	0	110.6	D126 R140	D126-N128 PolarHBondContact O-N 3.27Å; N128-R140 WeakPolarHBondContact O-CD 3.46Å
129	V	98.5	Very high	98.5	Very high	20 Å²	20	46.3 Å²	46.3	12%	0.121	23%	0.229	C	C	.	.			trans	-84.5	167.1	-178.8	-61.4	0	0	0	0	112.8	V78 P79 L80 V127 L131 I141	V78-V129 HydrophobicContact CG1-CG1 4.16Å; P79-V129 HydrophobicContact CG-CG2 4.44Å; P79-V129 WeakPolarHBondContact O-CG2 3.39Å; L80-V129 HydrophobicContact CB-CG1 4.35Å; L80-V129 HydrophobicContact CB-CG2 4.43Å; L80-V129 HydrophobicContact CD1-CB 4.24Å; L80-V129 HydrophobicContact CD1-CG2 4.23Å; V127-V129 HydrophobicContact CB-CG1 4.46Å; V127-V129 HydrophobicContact CG1-CG1 4.18Å; V127-V129 PolarHBondContact O-N 3.16Å; V129-L131 HydrophobicContact CG2-CD2 3.98Å; V129-I141 HydrophobicContact CG1-CD1 4.24Å; V129-I141 HydrophobicContact CG1-CG1 4.16Å
130	N	98.4	Very high	98.5	Very high	41 Å²	41	50 Å²	50	22%	0.219	24%	0.243	C	C	.	.			trans	-110.7	100.7	174.6	-174.5	-13.7	0	0	0	110.8	Y132 N133 D136 S137	N130-Y132 PolarHBondContact O-N 3.48Å; N130-Y132 PolarHBondContact OD1-N 2.9Å; N130-N133 CarbonylContact O-C 3.56Å; N130-N133 PolarHBondContact O-N 2.95Å; N130-N133 VanDerWaalsContact O-O 3.13Å; N130-N133 PolarHBondContact OD1-N 3.49Å; N130-D136 HydrophobicContact CB-CB 4.28Å; N130-D136 WeakPolarHBondContact CB-OD2 3.26Å; N130-D136 PolarHBondContact ND2-OD2 2.95Å; N130-S137 VanDerWaalsContact C-OG 3.25Å; N130-S137 WeakPolarHBondContact CA-OG 3.48Å; N130-S137 PolarHBondContact N-OG 2.87Å; N130-S137 PolarHBondContact O-OG 2.77Å
131	L	97.7	Very high	98.6	Very high	62 Å²	62	48.3 Å²	48.3	33%	0.325	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-3.2	-177.7	-58.9	178.8	0	0	0	114.7	L80 T82 V129	L80-L131 HydrophobicContact CD1-CD2 4.25Å; T82-L131 WeakPolarHBondContact CG2-O 3.43Å; V129-L131 HydrophobicContact CG2-CD2 3.98Å
132	Y	98.2	Very high	98.6	Very high	218 Å²	218	50.7 Å²	50.7	86%	0.855	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-1.1	-179.6	-53.1	-69	0	0	0	112.9	N130	N130-Y132 PolarHBondContact O-N 3.48Å; N130-Y132 PolarHBondContact OD1-N 2.9Å
133	N	98.5	Very high	98.6	Very high	68 Å²	68	54.6 Å²	54.6	36%	0.364	26%	0.262	S	S	.	.			trans	-150.6	103.7	178.9	-171.6	-47.5	0	0	0	109.7	N130 Q135 D136 S137	N130-N133 CarbonylContact O-C 3.56Å; N130-N133 PolarHBondContact O-N 2.95Å; N130-N133 VanDerWaalsContact O-O 3.13Å; N130-N133 PolarHBondContact OD1-N 3.49Å; N133-Q135 PolarHBondContact OD1-N 3.3Å; N133-D136 HydrophobicContact CB-CB 3.93Å; N133-D136 PolarHBondContact O-N 2.97Å; N133-D136 WeakPolarHBondContact OD1-CB 3.31Å; N133-D136 PolarHBondContact OD1-N 3.21Å; N133-S137 PolarHBondContact O-N 2.91Å; N133-S137 PolarHBondContact O-OG 2.61Å
134	L	98.5	Very high	98.6	Very high	20 Å²	20	55.8 Å²	55.8	11%	0.105	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-40.5	-176.9	179.8	54.3	0	0	0	111.7	L80 D136 S137 C138 T163 L199	L80-L134 HydrophobicContact CD2-CD1 3.76Å; L134-D136 PolarHBondContact O-N 2.98Å; L134-S137 WeakPolarHBondContact O-CB 3.34Å; L134-S137 PolarHBondContact O-N 3.2Å; L134-S137 VanDerWaalsContact O-N 3.17Å; L134-C138 PolarHBondContact O-N 3.04Å; L134-C138 PolarHBondContact O-SG 3.46Å; L134-C138 VanDerWaalsContact O-SG 3.38Å; L134-T163 HydrophobicContact CD1-CG2 4.19Å; L134-T163 HydrophobicContact CD2-CG2 4.47Å; L134-L199 HydrophobicContact CD2-CB 4.04Å; L134-L199 WeakPolarHBondContact CD2-O 3.31Å; L134-L199 HydrophobicContact CG-CB 4.44Å
135	Q	98.5	Very high	98.6	Very high	96 Å²	96	54.3 Å²	54.3	45%	0.449	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-43.5	178.1	-67.8	72.3	18.3	0	0	111.7	N133 S137 C138 R139 L199	N133-Q135 PolarHBondContact OD1-N 3.3Å; Q135-S137 VanDerWaalsContact C-N 3.33Å; Q135-C138 PolarHBondContact O-N 3.44Å; Q135-R139 PolarHBondContact O-N 3.03Å; Q135-L199 HydrophobicContact CG-CD1 3.89Å
136	D	98.8	Very high	98.6	Very high	27 Å²	27	55.5 Å²	55.5	14%	0.144	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-38.1	174.8	-175.3	51.5	0	0	0	111.4	N130 N133 L134 R139 R140	N130-D136 HydrophobicContact CB-CB 4.28Å; N130-D136 WeakPolarHBondContact CB-OD2 3.26Å; N130-D136 PolarHBondContact ND2-OD2 2.95Å; N133-D136 HydrophobicContact CB-CB 3.93Å; N133-D136 PolarHBondContact O-N 2.97Å; N133-D136 WeakPolarHBondContact OD1-CB 3.31Å; N133-D136 PolarHBondContact OD1-N 3.21Å; L134-D136 PolarHBondContact O-N 2.98Å; D136-R139 PolarHBondContact O-N 2.99Å; D136-R139 IonicContact OD1-CZ 2.95Å; D136-R139 IonicContact OD1-NE 3.68Å; D136-R139 PolarHBondContact OD1-NE 2.81Å; D136-R139 IonicContact OD1-NH2 3.7Å; D136-R139 PolarHBondContact OD1-NH2 3.49Å; D136-R140 VanDerWaalsContact O-CG 3.25Å; D136-R140 WeakPolarHBondContact O-CG 3.29Å; D136-R140 PolarHBondContact O-N 3.31Å; D136-R140 IonicContact OD1-NE 3.27Å; D136-R140 PolarHBondContact OD1-NE 3.33Å; D136-R140 IonicContact OD1-NH2 3.69Å; D136-R140 IonicContact OD2-CZ 3.34Å; D136-R140 IonicContact OD2-NE 2.74Å; D136-R140 PolarHBondContact OD2-NE 3.43Å; D136-R140 IonicContact OD2-NH2 3.54Å; D136-R140 PolarHBondContact OD2-NH2 3.37Å; D136-R140 VanDerWaalsContact OD2-NH2 3.07Å
137	S	98.8	Very high	98.6	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-47.5	172.2	-70.1	0	0	0	0	112.1	N130 N133 L134 Q135 R139 R140 I141	N130-S137 VanDerWaalsContact C-OG 3.25Å; N130-S137 WeakPolarHBondContact CA-OG 3.48Å; N130-S137 PolarHBondContact N-OG 2.87Å; N130-S137 PolarHBondContact O-OG 2.77Å; N133-S137 PolarHBondContact O-N 2.91Å; N133-S137 PolarHBondContact O-OG 2.61Å; L134-S137 WeakPolarHBondContact O-CB 3.34Å; L134-S137 PolarHBondContact O-N 3.2Å; L134-S137 VanDerWaalsContact O-N 3.17Å; Q135-S137 VanDerWaalsContact C-N 3.33Å; S137-R139 VanDerWaalsContact C-N 3.33Å; S137-R139 PolarHBondContact O-N 3.15Å; S137-R140 PolarHBondContact O-N 2.69Å; S137-I141 WeakPolarHBondContact O-CD1 3.49Å; S137-I141 VanDerWaalsContact O-CG1 3.23Å; S137-I141 WeakPolarHBondContact O-CG1 3.36Å; S137-I141 PolarHBondContact O-N 3.01Å
138	C	98.8	Very high	98.6	Very high	8 Å²	8	58.9 Å²	58.9	5%	0.054	28%	0.275	C	S	.	.	H	α-helix	trans	-57	-46.5	176.3	-68.1	0	0	0	0	111.5	L134 Q135 R140 I141 Q142 P167	L134-C138 PolarHBondContact O-N 3.04Å; L134-C138 PolarHBondContact O-SG 3.46Å; L134-C138 VanDerWaalsContact O-SG 3.38Å; Q135-C138 PolarHBondContact O-N 3.44Å; C138-R140 PolarHBondContact O-N 2.85Å; C138-I141 PolarHBondContact O-N 2.88Å; C138-Q142 PolarHBondContact O-N 2.74Å; C138-P167 HydrophobicContact CB-CB 4.14Å; C138-P167 HydrophobicContact CB-CG 4.13Å; C138-P167 WeakPolarHBondContact O-CB 3.46Å
139	R	98.8	Very high	98.6	Very high	103 Å²	103	53 Å²	53	39%	0.389	24%	0.243	S	C	.	.	H	α-helix	trans	-58	-47	176.1	-175.3	-171.8	63.2	76	5.8	112.2	Q135 D136 S137 Q142 E143	Q135-R139 PolarHBondContact O-N 3.03Å; D136-R139 PolarHBondContact O-N 2.99Å; D136-R139 IonicContact OD1-CZ 2.95Å; D136-R139 IonicContact OD1-NE 3.68Å; D136-R139 PolarHBondContact OD1-NE 2.81Å; D136-R139 IonicContact OD1-NH2 3.7Å; D136-R139 PolarHBondContact OD1-NH2 3.49Å; S137-R139 VanDerWaalsContact C-N 3.33Å; S137-R139 PolarHBondContact O-N 3.15Å; R139-Q142 PolarHBondContact O-N 3.22Å; R139-E143 WeakPolarHBondContact CG-OE1 3.47Å; R139-E143 IonicContact CZ-OE1 3.78Å; R139-E143 IonicContact NH1-OE1 2.7Å; R139-E143 PolarHBondContact NH1-OE1 3.45Å; R139-E143 IonicContact NH1-OE2 3.24Å; R139-E143 PolarHBondContact NH1-OE2 3.48Å; R139-E143 WeakPolarHBondContact O-CG 2.98Å; R139-E143 PolarHBondContact O-N 2.79Å
140	R	98.9	Very high	98.6	Very high	82 Å²	82	55.8 Å²	55.8	31%	0.309	27%	0.269	S	S	.	.	H	α-helix	trans	-64.7	-39.5	179.9	-70.8	167.3	-176.5	-101.5	0.6	112.5	N128 D136 S137 C138 A144	N128-R140 WeakPolarHBondContact O-CD 3.46Å; D136-R140 VanDerWaalsContact O-CG 3.25Å; D136-R140 WeakPolarHBondContact O-CG 3.29Å; D136-R140 PolarHBondContact O-N 3.31Å; D136-R140 IonicContact OD1-NE 3.27Å; D136-R140 PolarHBondContact OD1-NE 3.33Å; D136-R140 IonicContact OD1-NH2 3.69Å; D136-R140 IonicContact OD2-CZ 3.34Å; D136-R140 IonicContact OD2-NE 2.74Å; D136-R140 PolarHBondContact OD2-NE 3.43Å; D136-R140 IonicContact OD2-NH2 3.54Å; D136-R140 PolarHBondContact OD2-NH2 3.37Å; D136-R140 VanDerWaalsContact OD2-NH2 3.07Å; S137-R140 PolarHBondContact O-N 2.69Å; C138-R140 PolarHBondContact O-N 2.85Å; R140-A144 WeakPolarHBondContact O-CB 3.23Å; R140-A144 PolarHBondContact O-N 3.07Å
141	I	98.9	Very high	98.6	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-51.5	175.2	-66.4	160.8	0	0	0	109.3	V78 L80 V127 V129 S137 C138 E143 A144 Y145 I164 P167 I168	V78-I141 HydrophobicContact CG1-CD1 3.55Å; V78-I141 HydrophobicContact CG1-CG1 3.77Å; L80-I141 HydrophobicContact CD2-CD1 4.08Å; V127-I141 HydrophobicContact CG1-CG1 4.01Å; V129-I141 HydrophobicContact CG1-CD1 4.24Å; V129-I141 HydrophobicContact CG1-CG1 4.16Å; S137-I141 WeakPolarHBondContact O-CD1 3.49Å; S137-I141 VanDerWaalsContact O-CG1 3.23Å; S137-I141 WeakPolarHBondContact O-CG1 3.36Å; S137-I141 PolarHBondContact O-N 3.01Å; C138-I141 PolarHBondContact O-N 2.88Å; I141-E143 PolarHBondContact O-N 2.87Å; I141-A144 PolarHBondContact O-N 3.02Å; I141-Y145 HydrophobicContact CG2-CD2 3.89Å; I141-Y145 HydrophobicContact CG2-CE2 4.02Å; I141-Y145 VanDerWaalsContact O-CD2 3.28Å; I141-Y145 WeakPolarHBondContact O-CD2 3.46Å; I141-Y145 PolarHBondContact O-N 2.85Å; I141-I164 HydrophobicContact CD1-CB 4.34Å; I141-I164 HydrophobicContact CD1-CG2 4.16Å; I141-P167 HydrophobicContact CB-CB 4.07Å; I141-P167 HydrophobicContact CB-CG 3.87Å; I141-P167 HydrophobicContact CD1-CG 4.19Å; I141-P167 HydrophobicContact CG2-CB 4.03Å; I141-P167 HydrophobicContact CG2-CG 3.71Å; I141-I168 HydrophobicContact CG2-CD1 4.45Å; I141-I168 HydrophobicContact CG2-CG1 3.7Å
142	Q	98.9	Very high	98.6	Very high	50 Å²	50	53.8 Å²	53.8	23%	0.234	27%	0.271	C	S	.	.	H	α-helix	trans	-54.3	-51.3	177.2	-176.9	-171.7	-5.9	0	0	111.3	C138 R139 A144 Y145 E146 P167 Q170	C138-Q142 PolarHBondContact O-N 2.74Å; R139-Q142 PolarHBondContact O-N 3.22Å; Q142-A144 VanDerWaalsContact C-N 3.32Å; Q142-A144 PolarHBondContact O-N 3.48Å; Q142-Y145 PolarHBondContact O-N 3.11Å; Q142-E146 HydrophobicContact CG-CG 4.32Å; Q142-E146 PolarHBondContact NE2-OE1 2.93Å; Q142-E146 WeakPolarHBondContact O-CB 3.47Å; Q142-E146 VanDerWaalsContact O-CG 3.31Å; Q142-E146 WeakPolarHBondContact O-CG 3.4Å; Q142-E146 PolarHBondContact O-N 3.36Å; Q142-P167 HydrophobicContact CB-CB 4.06Å; Q142-Q170 HydrophobicContact CG-CB 4.08Å
143	E	98.9	Very high	98.6	Very high	82 Å²	82	43.5 Å²	43.5	38%	0.383	23%	0.23	S	C	.	.	H	α-helix	trans	-60.2	-37.8	-179.9	-74.7	171.5	-175.5	0	0	113.5	R139 I141 K147	R139-E143 WeakPolarHBondContact CG-OE1 3.47Å; R139-E143 IonicContact CZ-OE1 3.78Å; R139-E143 IonicContact NH1-OE1 2.7Å; R139-E143 PolarHBondContact NH1-OE1 3.45Å; R139-E143 IonicContact NH1-OE2 3.24Å; R139-E143 PolarHBondContact NH1-OE2 3.48Å; R139-E143 WeakPolarHBondContact O-CG 2.98Å; R139-E143 PolarHBondContact O-N 2.79Å; I141-E143 PolarHBondContact O-N 2.87Å; E143-K147 WeakPolarHBondContact O-CG 3.32Å; E143-K147 PolarHBondContact O-N 3.47Å
144	A	98.9	Very high	98.7	Very high	26 Å²	26	41.8 Å²	41.8	22%	0.215	22%	0.221	C	C	.	.	H	α-helix	trans	-67.5	-47.1	176.5	0	0	0	0	0	111.1	V127 R140 I141 Q142 K147 I148	V127-A144 HydrophobicContact CG1-CB 4.16Å; V127-A144 HydrophobicContact CG2-CB 3.92Å; R140-A144 WeakPolarHBondContact O-CB 3.23Å; R140-A144 PolarHBondContact O-N 3.07Å; I141-A144 PolarHBondContact O-N 3.02Å; Q142-A144 VanDerWaalsContact C-N 3.32Å; Q142-A144 PolarHBondContact O-N 3.48Å; A144-K147 PolarHBondContact O-N 3.27Å; A144-I148 WeakPolarHBondContact O-CG1 3.27Å; A144-I148 PolarHBondContact O-N 2.91Å
145	Y	98.9	Very high	98.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.8	-35.3	-179.5	-83.4	-105.5	0	0	0	112.1	V78 V127 I141 Q142 K147 I148 V149 P155 T157 I168	V78-Y145 HydrophobicContact CG2-CE2 3.96Å; V78-Y145 WeakPolarHBondContact CG2-OH 3.49Å; V127-Y145 HydrophobicContact CG2-CE2 4.02Å; I141-Y145 HydrophobicContact CG2-CD2 3.89Å; I141-Y145 HydrophobicContact CG2-CE2 4.02Å; I141-Y145 VanDerWaalsContact O-CD2 3.28Å; I141-Y145 WeakPolarHBondContact O-CD2 3.46Å; I141-Y145 PolarHBondContact O-N 2.85Å; Q142-Y145 PolarHBondContact O-N 3.11Å; Y145-K147 VanDerWaalsContact C-N 3.26Å; Y145-K147 PolarHBondContact O-N 3.3Å; Y145-I148 PolarHBondContact O-N 3.43Å; Y145-V149 WeakPolarHBondContact O-CG1 3.29Å; Y145-V149 VanDerWaalsContact O-CG2 3.28Å; Y145-V149 WeakPolarHBondContact O-CG2 3.44Å; Y145-V149 PolarHBondContact O-N 3.07Å; Y145-P155 HydrophobicContact CD1-CB 4.06Å; Y145-P155 HydrophobicContact CD1-CG 4.11Å; Y145-P155 HydrophobicContact CE1-CB 3.64Å; Y145-P155 HydrophobicContact CE1-CG 4.05Å; Y145-T157 WeakPolarHBondContact CE1-OG1 3.26Å; Y145-T157 WeakPolarHBondContact OH-CB 3.44Å; Y145-T157 WeakPolarHBondContact OH-CG2 3.29Å; Y145-T157 PolarHBondContact OH-OG1 3.03Å; Y145-I168 HydrophobicContact CD1-CB 4.2Å; Y145-I168 HydrophobicContact CD1-CD1 4.48Å; Y145-I168 HydrophobicContact CD1-CG1 3.86Å; Y145-I168 HydrophobicContact CD1-CG2 3.59Å; Y145-I168 HydrophobicContact CD2-CG1 3.9Å; Y145-I168 HydrophobicContact CE1-CB 4.32Å; Y145-I168 HydrophobicContact CE1-CD1 3.83Å; Y145-I168 HydrophobicContact CE1-CG1 3.7Å; Y145-I168 HydrophobicContact CE1-CG2 3.72Å; Y145-I168 HydrophobicContact CE2-CD1 4.01Å; Y145-I168 HydrophobicContact CE2-CG1 3.75Å; Y145-I168 HydrophobicContact CG-CB 4.46Å; Y145-I168 HydrophobicContact CG-CG1 3.94Å; Y145-I168 HydrophobicContact CG-CG2 4.29Å
146	E	98.8	Very high	98.7	Very high	44 Å²	44	36.2 Å²	36.2	21%	0.206	19%	0.194	C	C	.	.	H	α-helix	trans	-56.2	-40.8	173.7	-78	-173.4	179	0	0	111.8	Q142 A150 A171 K174	Q142-E146 HydrophobicContact CG-CG 4.32Å; Q142-E146 PolarHBondContact NE2-OE1 2.93Å; Q142-E146 WeakPolarHBondContact O-CB 3.47Å; Q142-E146 VanDerWaalsContact O-CG 3.31Å; Q142-E146 WeakPolarHBondContact O-CG 3.4Å; Q142-E146 PolarHBondContact O-N 3.36Å; E146-A150 WeakPolarHBondContact O-CB 3.19Å; E146-A150 PolarHBondContact O-N 3.19Å; E146-A171 HydrophobicContact CB-CB 4.43Å; E146-A171 HydrophobicContact CG-CB 3.71Å; E146-K174 HydrophobicContact CG-CD 4.09Å; E146-K174 WeakPolarHBondContact OE1-CD 3.4Å; E146-K174 IonicContact OE1-NZ 2.67Å; E146-K174 PolarHBondContact OE1-NZ 2.78Å; E146-K174 IonicContact OE2-NZ 2.8Å; E146-K174 PolarHBondContact OE2-NZ 3.07Å
147	K	98.6	Very high	98.7	Very high	149 Å²	149	35 Å²	35	65%	0.648	19%	0.187	S	C	*	.	H	α-helix	trans	-67.5	-46.8	175.9	-66.1	170.1	-173.9	172.8	0	112	E143 A144 Y145 A150 A151	E143-K147 WeakPolarHBondContact O-CG 3.32Å; E143-K147 PolarHBondContact O-N 3.47Å; A144-K147 PolarHBondContact O-N 3.27Å; Y145-K147 VanDerWaalsContact C-N 3.26Å; Y145-K147 PolarHBondContact O-N 3.3Å; K147-A150 PolarHBondContact O-N 3.18Å; K147-A151 PolarHBondContact O-N 2.92Å; K147-A151 VanDerWaalsContact O-N 3.16Å
148	I	98.8	Very high	98.7	Very high	12 Å²	12	35 Å²	35	6%	0.062	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-51.7	179.9	-67.4	162	0	0	0	110.2	P68 I76 L124 A144 Y145 A150 A151 C153 P155	P68-I148 HydrophobicContact CB-CG1 4.36Å; P68-I148 HydrophobicContact CG-CG1 4.49Å; I76-I148 HydrophobicContact CD1-CD1 4.26Å; I76-I148 HydrophobicContact CG1-CD1 3.96Å; L124-I148 HydrophobicContact CD1-CD1 4.37Å; L124-I148 HydrophobicContact CD1-CG1 4.17Å; A144-I148 WeakPolarHBondContact O-CG1 3.27Å; A144-I148 PolarHBondContact O-N 2.91Å; Y145-I148 PolarHBondContact O-N 3.43Å; I148-A150 PolarHBondContact O-N 2.81Å; I148-A151 WeakPolarHBondContact O-CB 3.16Å; I148-A151 PolarHBondContact O-N 2.86Å; I148-C153 HydrophobicContact CG2-CB 4.01Å; I148-C153 WeakPolarHBondContact O-CB 3.42Å; I148-C153 PolarHBondContact O-N 2.96Å; I148-P155 HydrophobicContact CG2-CB 4.36Å
149	V	98.3	Very high	98.7	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-69.6	-37.4	-177	-55	0	0	0	0	110.5	Y145 A151 G152 P155 M172 K175	Y145-V149 WeakPolarHBondContact O-CG1 3.29Å; Y145-V149 VanDerWaalsContact O-CG2 3.28Å; Y145-V149 WeakPolarHBondContact O-CG2 3.44Å; Y145-V149 PolarHBondContact O-N 3.07Å; V149-A151 PolarHBondContact O-N 2.82Å; V149-G152 PolarHBondContact O-N 2.86Å; V149-P155 HydrophobicContact CG1-CG 4.44Å; V149-M172 HydrophobicContact CG1-CE 4.39Å; V149-M172 HydrophobicContact CG1-SD 3.5Å; V149-M172 WeakPolarHBondContact CG1-SD 3.45Å; V149-K175 HydrophobicContact CB-CD 3.65Å; V149-K175 HydrophobicContact CG2-CB 4.04Å; V149-K175 HydrophobicContact CG2-CD 3.82Å; V149-K175 WeakPolarHBondContact O-CD 2.7Å; V149-K175 WeakPolarHBondContact O-CE 3.28Å; V149-K175 PolarHBondContact O-NZ 2.73Å
150	A	98.3	Very high	98.7	Very high	80 Å²	80	29.7 Å²	29.7	66%	0.661	17%	0.167	S	C	*	.	H	α-helix	trans	-59.9	-32.5	176.4	0	0	0	0	0	112.9	E146 K147 I148 G152	E146-A150 WeakPolarHBondContact O-CB 3.19Å; E146-A150 PolarHBondContact O-N 3.19Å; K147-A150 PolarHBondContact O-N 3.18Å; I148-A150 PolarHBondContact O-N 2.81Å; A150-G152 PolarHBondContact O-N 2.83Å
151	A	98.3	Very high	98.7	Very high	23 Å²	23	25.8 Å²	25.8	19%	0.19	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-10.5	174.8	0	0	0	0	0	113.8	P68 K147 I148 V149	P68-A151 HydrophobicContact CB-CB 3.94Å; P68-A151 HydrophobicContact CG-CB 3.79Å; K147-A151 PolarHBondContact O-N 2.92Å; K147-A151 VanDerWaalsContact O-N 3.16Å; I148-A151 WeakPolarHBondContact O-CB 3.16Å; I148-A151 PolarHBondContact O-N 2.86Å; V149-A151 PolarHBondContact O-N 2.82Å
152	G	97.9	Very high	98.7	Very high	38 Å²	38	25.8 Å²	25.8	39%	0.392	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	8.7	-174.8	0	0	0	0	0	113.9	V149 A150	V149-G152 PolarHBondContact O-N 2.86Å; A150-G152 PolarHBondContact O-N 2.83Å
153	C	98.6	Very high	98.7	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-82	134.5	178.1	-174.2	0	0	0	0	110.6	P68 A74 I148	P68-C153 HydrophobicContact CB-CB 4.06Å; A74-C153 VanDerWaalsContact CB-SG 3.52Å; I148-C153 HydrophobicContact CG2-CB 4.01Å; I148-C153 WeakPolarHBondContact O-CB 3.42Å; I148-C153 PolarHBondContact O-N 2.96Å
154	I	98.9	Very high	98.7	Very high	32 Å²	32	19.6 Å²	19.6	16%	0.164	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	118.4	175.2	-62.7	172.9	0	0	0	109.3	D72 A73 A74 L346	D72-I154 PolarHBondContact O-N 2.96Å; A73-I154 CarbonylContact C-O 3.45Å; A73-I154 WeakPolarHBondContact CA-O 3.46Å; A73-I154 HydrophobicContact CB-CB 4.21Å; A74-I154 PolarHBondContact N-O 3.15Å; I154-L346 HydrophobicContact CB-CD1 4.26Å; I154-L346 HydrophobicContact CD1-CD1 4.42Å; I154-L346 HydrophobicContact CG2-CD1 3.84Å; I154-L346 HydrophobicContact CG2-CD2 3.83Å; I154-L346 HydrophobicContact CG2-CG 4.5Å
155	P	98.9	Very high	98.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	133.8	179.1	30.9	-33.7	0	0	0	112.4	I76 Y145 I148 V149 M172 G315 C316	I76-P155 HydrophobicContact CD1-CB 3.62Å; Y145-P155 HydrophobicContact CD1-CB 4.06Å; Y145-P155 HydrophobicContact CD1-CG 4.11Å; Y145-P155 HydrophobicContact CE1-CB 3.64Å; Y145-P155 HydrophobicContact CE1-CG 4.05Å; I148-P155 HydrophobicContact CG2-CB 4.36Å; V149-P155 HydrophobicContact CG1-CG 4.44Å; P155-M172 HydrophobicContact CG-SD 4.2Å; P155-G315 WeakPolarHBondContact O-CA 3.36Å; P155-C316 PolarHBondContact O-N 2.72Å
156	L	98.9	Very high	98.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	102	165.9	-67.7	128.2	0	0	0	108.6	A73 A74 F75 I76 C316 M342 L343 L346	A73-L156 HydrophobicContact CB-CD1 3.99Å; A74-L156 PolarHBondContact O-N 2.96Å; F75-L156 VanDerWaalsContact CA-O 3.27Å; F75-L156 WeakPolarHBondContact CA-O 3.39Å; F75-L156 HydrophobicContact CD1-CB 3.53Å; F75-L156 HydrophobicContact CD1-CD1 4.35Å; F75-L156 HydrophobicContact CD1-CG 4.45Å; F75-L156 HydrophobicContact CE1-CB 3.71Å; F75-L156 HydrophobicContact CE1-CD1 4.09Å; F75-L156 HydrophobicContact CE1-CD2 4.16Å; F75-L156 HydrophobicContact CE1-CG 4.23Å; F75-L156 HydrophobicContact CG-CB 4.38Å; F75-L156 HydrophobicContact CZ-CD1 4.31Å; I76-L156 PolarHBondContact N-O 2.82Å; L156-C316 CarbonylContact C-O 3.47Å; L156-C316 WeakPolarHBondContact CA-O 3.29Å; L156-C316 WeakPolarHBondContact CD2-SG 3.39Å; L156-M342 HydrophobicContact CD2-CB 4.08Å; L156-L343 HydrophobicContact CD1-CB 4.41Å; L156-L343 HydrophobicContact CD1-CD1 3.83Å; L156-L343 HydrophobicContact CD2-CB 3.96Å; L156-L346 HydrophobicContact CD1-CD1 4.07Å
157	T	98.9	Very high	98.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.3	-167.5	-53.1	0	0	0	0	112.2	I76 V78 Y145 I164 I168 C316 D317 L318	I76-T157 CarbonylContact O-C 3.55Å; I76-T157 VanDerWaalsContact O-CA 3.28Å; I76-T157 WeakPolarHBondContact O-CA 3.45Å; V78-T157 HydrophobicContact CB-CG2 4.44Å; V78-T157 HydrophobicContact CG2-CG2 3.77Å; Y145-T157 WeakPolarHBondContact CE1-OG1 3.26Å; Y145-T157 WeakPolarHBondContact OH-CB 3.44Å; Y145-T157 WeakPolarHBondContact OH-CG2 3.29Å; Y145-T157 PolarHBondContact OH-OG1 3.03Å; T157-I164 HydrophobicContact CG2-CD1 3.96Å; T157-I168 HydrophobicContact CG2-CD1 4.07Å; T157-C316 PolarHBondContact N-O 3.4Å; T157-D317 HydrophobicContact CG2-CB 4.15Å; T157-L318 PolarHBondContact O-N 2.87Å
158	L	98.9	Very high	98.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	109.6	164.1	-61.2	77.6	0	0	0	106.7	M59 F75 I76 G77 V78 P94 I97 R98 L339	M59-L158 HydrophobicContact SD-CD2 4.13Å; F75-L158 HydrophobicContact CB-CD1 3.89Å; F75-L158 HydrophobicContact CD1-CD1 3.98Å; F75-L158 HydrophobicContact CG-CD1 4.37Å; I76-L158 PolarHBondContact O-N 2.8Å; G77-L158 CarbonylContact C-O 2.96Å; G77-L158 VanDerWaalsContact CA-O 3.3Å; G77-L158 WeakPolarHBondContact CA-O 3.28Å; V78-L158 PolarHBondContact N-O 2.86Å; P94-L158 HydrophobicContact CB-CB 3.97Å; P94-L158 HydrophobicContact CG-CB 4.41Å; P94-L158 WeakPolarHBondContact CG-O 3.46Å; I97-L158 HydrophobicContact CB-CD2 3.83Å; I97-L158 HydrophobicContact CD1-CB 4.31Å; I97-L158 HydrophobicContact CG2-CD2 3.47Å; I97-L158 VanDerWaalsContact CG2-CD2 3.47Å; I97-L158 HydrophobicContact CG2-CG 4.08Å; R98-L158 HydrophobicContact CG-CD2 3.93Å; L158-L339 HydrophobicContact CD1-CD1 4.46Å; L158-L339 HydrophobicContact CG-CD1 3.84Å
159	G	97.8	Very high	98.7	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.01	7%	0.073	C	C	.	.			trans	-85.4	170	-166.1	0	0	0	0	0	115.4	V78 P94 I164 L318	V78-G159 CarbonylContact O-C 3.45Å; P94-G159 WeakPolarHBondContact CD-O 3.35Å; P94-G159 VanDerWaalsContact CG-O 3.32Å; P94-G159 WeakPolarHBondContact CG-O 3.45Å; G159-I164 VanDerWaalsContact CA-CD1 3.46Å; G159-L318 WeakPolarHBondContact CA-O 3.39Å; G159-L318 PolarHBondContact N-O 3.27Å
160	G	98.5	Very high	98.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-104.3	-131	153.8	0	0	0	0	0	108	V78 L80 A90 E320	V78-G160 PolarHBondContact O-N 3.09Å; L80-G160 CarbonylContact O-C 3.49Å; L80-G160 WeakPolarHBondContact O-CA 3.4Å; A90-G160 WeakPolarHBondContact O-CA 3.49Å; G160-E320 PolarHBondContact O-N 2.82Å
161	D	98.9	Very high	98.7	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-69.5	162.7	174	79.2	37.1	0	0	0	112.4	L80 D81 T82 G83 T84 T163 I164 H201 E320	L80-D161 PolarHBondContact O-N 3.21Å; D81-D161 WeakPolarHBondContact CA-OD2 3.36Å; D81-D161 HydrophobicContact CB-CB 4.34Å; T82-D161 PolarHBondContact N-OD2 2.91Å; G83-D161 VanDerWaalsContact C-OD2 3.27Å; G83-D161 WeakPolarHBondContact CA-OD2 3.33Å; G83-D161 PolarHBondContact N-OD2 2.69Å; T84-D161 PolarHBondContact N-OD2 3.22Å; T84-D161 VanDerWaalsContact OG1-CB 3.3Å; T84-D161 WeakPolarHBondContact OG1-CB 3.09Å; T84-D161 PolarHBondContact OG1-OD2 2.85Å; D161-T163 PolarHBondContact O-N 2.92Å; D161-T163 WeakPolarHBondContact OD1-CA 3.42Å; D161-T163 WeakPolarHBondContact OD1-CB 3.37Å; D161-T163 PolarHBondContact OD1-N 2.93Å; D161-T163 PolarHBondContact OD1-OG1 3.02Å; D161-I164 WeakPolarHBondContact O-CG1 3.31Å; D161-I164 WeakPolarHBondContact O-CG2 3.03Å; D161-I164 PolarHBondContact O-N 3.42Å; D161-H201 HydrophobicContact CB-CB 4.13Å; D161-E320 VanDerWaalsContact CA-OE1 3.25Å; D161-E320 WeakPolarHBondContact CA-OE1 3.25Å; D161-E320 WeakPolarHBondContact CB-OE1 3.5Å
162	H	98.9	Very high	98.8	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	-67	-9.9	-174	-140.9	148.4	0	0	0	114.3	I164 T165 H183 D185 D189 H201 F205 S274 D276 V319 E320	H162-I164 PolarHBondContact O-N 3.23Å; H162-I164 VanDerWaalsContact O-N 3.15Å; H162-T165 PolarHBondContact CD2-OG1 3.46Å; H162-T165 PolarHBondContact O-N 3.15Å; H162-H183 AromaticContact CE1-CD2 3.78Å; H162-H183 AromaticContact CE1-NE2 3.2Å; H162-H183 PolarHBondContact CE1-NE2 3.18Å; H162-H183 AromaticContact NE2-NE2 3.8Å; H162-D185 IonicContact CE1-OD2 2.85Å; H162-D185 PolarHBondContact CE1-OD2 3.12Å; H162-D185 IonicContact ND1-OD2 3.26Å; H162-D185 PolarHBondContact ND1-OD2 3.41Å; H162-D185 VanDerWaalsContact ND1-OD2 3.08Å; H162-D189 IonicContact CE1-OD2 2.69Å; H162-D189 IonicContact CG-OD2 4Å; H162-D189 IonicContact ND1-OD2 3.26Å; H162-D189 PolarHBondContact ND1-OD2 3.04Å; H162-D189 VanDerWaalsContact ND1-OD2 3.08Å; H162-H201 HydrophobicContact CB-CB 4.19Å; H162-F205 AromaticContact CE1-CE2 3.92Å; H162-F205 AromaticContact NE2-CE2 3.61Å; H162-F205 AromaticContact NE2-CZ 3.4Å; H162-F205 WeakPolarHBondContact NE2-CZ 3.37Å; H162-S274 PolarHBondContact NE2-OG 3.28Å; H162-D276 IonicContact CE1-OD2 2.69Å; H162-D276 IonicContact CG-OD2 2.95Å; H162-D276 IonicContact ND1-OD2 2.95Å; H162-D276 PolarHBondContact ND1-OD2 3.22Å; H162-V319 HydrophobicContact CB-CG2 4.23Å; H162-E320 PolarHBondContact N-OE1 3.46Å
163	T	98.9	Very high	98.8	Very high	2 Å²	2	4.7 Å²	4.7	1%	0.012	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-60.5	-28.3	175.6	-40.1	0	0	0	0	111.6	L134 D161 T165 Y166 P167 H201	L134-T163 HydrophobicContact CD1-CG2 4.19Å; L134-T163 HydrophobicContact CD2-CG2 4.47Å; D161-T163 PolarHBondContact O-N 2.92Å; D161-T163 WeakPolarHBondContact OD1-CA 3.42Å; D161-T163 WeakPolarHBondContact OD1-CB 3.37Å; D161-T163 PolarHBondContact OD1-N 2.93Å; D161-T163 PolarHBondContact OD1-OG1 3.02Å; T163-T165 PolarHBondContact O-N 3.05Å; T163-Y166 PolarHBondContact O-N 3.24Å; T163-P167 VanDerWaalsContact O-CD 3.25Å; T163-P167 WeakPolarHBondContact O-CD 3.46Å; T163-H201 VanDerWaalsContact OG1-CA 3.29Å; T163-H201 WeakPolarHBondContact OG1-CA 3.46Å; T163-H201 PolarHBondContact OG1-N 3.06Å
164	I	98.9	Very high	98.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-63.5	-25.1	-176.3	71.4	166.8	0	0	0	112.9	V78 L80 I141 T157 G159 D161 H162 Y166 P167 I168 V319	V78-I164 HydrophobicContact CB-CB 4.45Å; V78-I164 HydrophobicContact CB-CD1 3.71Å; V78-I164 HydrophobicContact CB-CG2 4.31Å; V78-I164 HydrophobicContact CG1-CB 3.91Å; V78-I164 HydrophobicContact CG1-CD1 4.13Å; V78-I164 HydrophobicContact CG1-CG2 3.56Å; V78-I164 HydrophobicContact CG2-CD1 4.24Å; L80-I164 HydrophobicContact CB-CG2 4.03Å; L80-I164 HydrophobicContact CD2-CG2 4.15Å; I141-I164 HydrophobicContact CD1-CB 4.34Å; I141-I164 HydrophobicContact CD1-CG2 4.16Å; T157-I164 HydrophobicContact CG2-CD1 3.96Å; G159-I164 VanDerWaalsContact CA-CD1 3.46Å; D161-I164 WeakPolarHBondContact O-CG1 3.31Å; D161-I164 WeakPolarHBondContact O-CG2 3.03Å; D161-I164 PolarHBondContact O-N 3.42Å; H162-I164 PolarHBondContact O-N 3.23Å; H162-I164 VanDerWaalsContact O-N 3.15Å; I164-Y166 VanDerWaalsContact C-N 3.29Å; I164-Y166 PolarHBondContact O-N 3.06Å; I164-P167 WeakPolarHBondContact O-CD 3.38Å; I164-P167 VanDerWaalsContact O-CG 3.26Å; I164-P167 WeakPolarHBondContact O-CG 3.34Å; I164-I168 HydrophobicContact CD1-CD1 4.35Å; I164-I168 HydrophobicContact CG1-CD1 4.33Å; I164-I168 WeakPolarHBondContact O-CD1 3.46Å; I164-I168 VanDerWaalsContact O-CG1 3.24Å; I164-I168 WeakPolarHBondContact O-CG1 3.39Å; I164-I168 PolarHBondContact O-N 3.04Å; I164-V319 HydrophobicContact CD1-CG1 4.05Å; I164-V319 HydrophobicContact CG1-CG1 4.18Å
165	T	98.9	Very high	98.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-70.5	-30.2	-175.2	-57.2	0	0	0	0	111.2	H162 T163 I168 L169 F205 Y272 D317	H162-T165 PolarHBondContact CD2-OG1 3.46Å; H162-T165 PolarHBondContact O-N 3.15Å; T163-T165 PolarHBondContact O-N 3.05Å; T165-I168 PolarHBondContact O-N 2.6Å; T165-L169 HydrophobicContact CG2-CD1 3.88Å; T165-L169 HydrophobicContact CG2-CG 4.12Å; T165-L169 WeakPolarHBondContact O-CB 3.45Å; T165-L169 WeakPolarHBondContact O-CG 3.36Å; T165-L169 PolarHBondContact O-N 3.15Å; T165-F205 HydrophobicContact CG2-CE1 3.88Å; T165-F205 HydrophobicContact CG2-CZ 4.06Å; T165-Y272 HydrophobicContact CG2-CE1 4.26Å; T165-D317 WeakPolarHBondContact CB-OD2 3.06Å; T165-D317 WeakPolarHBondContact CG2-OD2 3.18Å; T165-D317 PolarHBondContact OG1-OD2 3.13Å
166	Y	98.9	Very high	98.8	Very high	21 Å²	21	17.2 Å²	17.2	8%	0.082	8%	0.079	C	C	.	.	H	α-helix	trans	-57.3	-59.3	176.1	166.7	-126.3	0	0	0	113.4	T163 I164 I168 L169 Q170 L199 R207 E211 L213	T163-Y166 PolarHBondContact O-N 3.24Å; I164-Y166 VanDerWaalsContact C-N 3.29Å; I164-Y166 PolarHBondContact O-N 3.06Å; Y166-I168 VanDerWaalsContact C-N 3.25Å; Y166-I168 PolarHBondContact O-N 2.79Å; Y166-L169 PolarHBondContact O-N 3.35Å; Y166-L169 VanDerWaalsContact O-N 3.15Å; Y166-Q170 HydrophobicContact CD2-CG 4.39Å; Y166-Q170 HydrophobicContact CE2-CG 4Å; Y166-Q170 PolarHBondContact O-N 3.29Å; Y166-Q170 VanDerWaalsContact O-N 3.07Å; Y166-Q170 PolarHBondContact OH-NE2 3.09Å; Y166-L199 HydrophobicContact CD1-CD2 3.91Å; Y166-L199 HydrophobicContact CE1-CD2 3.65Å; Y166-R207 HydrophobicContact CD1-CB 4.36Å; Y166-R207 HydrophobicContact CD2-CB 3.58Å; Y166-R207 HydrophobicContact CE1-CB 4.25Å; Y166-R207 HydrophobicContact CE1-CG 4.5Å; Y166-R207 HydrophobicContact CE2-CB 3.44Å; Y166-R207 VanDerWaalsContact CE2-CB 3.44Å; Y166-R207 HydrophobicContact CE2-CG 4.49Å; Y166-R207 HydrophobicContact CG-CB 4.04Å; Y166-E211 PolarHBondContact OH-OE1 3.41Å; Y166-E211 PolarHBondContact OH-OE2 3.49Å; Y166-L213 HydrophobicContact CD2-CD1 4.21Å; Y166-L213 HydrophobicContact CE2-CD1 4.05Å
167	P	98.9	Very high	98.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66.2	-25.2	177.6	26.8	-36.1	0	0	0	113.7	C138 I141 Q142 T163 I164 A171	C138-P167 HydrophobicContact CB-CB 4.14Å; C138-P167 HydrophobicContact CB-CG 4.13Å; C138-P167 WeakPolarHBondContact O-CB 3.46Å; I141-P167 HydrophobicContact CB-CB 4.07Å; I141-P167 HydrophobicContact CB-CG 3.87Å; I141-P167 HydrophobicContact CD1-CG 4.19Å; I141-P167 HydrophobicContact CG2-CB 4.03Å; I141-P167 HydrophobicContact CG2-CG 3.71Å; Q142-P167 HydrophobicContact CB-CB 4.06Å; T163-P167 VanDerWaalsContact O-CD 3.25Å; T163-P167 WeakPolarHBondContact O-CD 3.46Å; I164-P167 WeakPolarHBondContact O-CD 3.38Å; I164-P167 VanDerWaalsContact O-CG 3.26Å; I164-P167 WeakPolarHBondContact O-CG 3.34Å; P167-A171 PolarHBondContact O-N 3.03Å
168	I	98.9	Very high	98.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.1	-47.9	171	-66.4	169	0	0	0	110	I141 Y145 T157 I164 T165 Y166 Q170 A171 M172 Y272	I141-I168 HydrophobicContact CG2-CD1 4.45Å; I141-I168 HydrophobicContact CG2-CG1 3.7Å; Y145-I168 HydrophobicContact CD1-CB 4.2Å; Y145-I168 HydrophobicContact CD1-CD1 4.48Å; Y145-I168 HydrophobicContact CD1-CG1 3.86Å; Y145-I168 HydrophobicContact CD1-CG2 3.59Å; Y145-I168 HydrophobicContact CD2-CG1 3.9Å; Y145-I168 HydrophobicContact CE1-CB 4.32Å; Y145-I168 HydrophobicContact CE1-CD1 3.83Å; Y145-I168 HydrophobicContact CE1-CG1 3.7Å; Y145-I168 HydrophobicContact CE1-CG2 3.72Å; Y145-I168 HydrophobicContact CE2-CD1 4.01Å; Y145-I168 HydrophobicContact CE2-CG1 3.75Å; Y145-I168 HydrophobicContact CG-CB 4.46Å; Y145-I168 HydrophobicContact CG-CG1 3.94Å; Y145-I168 HydrophobicContact CG-CG2 4.29Å; T157-I168 HydrophobicContact CG2-CD1 4.07Å; I164-I168 HydrophobicContact CD1-CD1 4.35Å; I164-I168 HydrophobicContact CG1-CD1 4.33Å; I164-I168 WeakPolarHBondContact O-CD1 3.46Å; I164-I168 VanDerWaalsContact O-CG1 3.24Å; I164-I168 WeakPolarHBondContact O-CG1 3.39Å; I164-I168 PolarHBondContact O-N 3.04Å; T165-I168 PolarHBondContact O-N 2.6Å; Y166-I168 VanDerWaalsContact C-N 3.25Å; Y166-I168 PolarHBondContact O-N 2.79Å; I168-Q170 VanDerWaalsContact C-N 3.28Å; I168-Q170 PolarHBondContact O-N 3.18Å; I168-A171 WeakPolarHBondContact O-CB 3.36Å; I168-A171 PolarHBondContact O-N 3.35Å; I168-M172 HydrophobicContact CG2-CG 4.19Å; I168-M172 WeakPolarHBondContact O-CG 3.36Å; I168-M172 PolarHBondContact O-N 2.99Å; I168-Y272 HydrophobicContact CG2-CE2 3.91Å; I168-Y272 WeakPolarHBondContact CG2-OH 3.2Å
169	L	98.9	Very high	98.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.6	-28.9	179.5	-74.7	175.7	0	0	0	112.9	T165 Y166 M172 A173 V179 F205 C208 L213 L214 Y272	T165-L169 HydrophobicContact CG2-CD1 3.88Å; T165-L169 HydrophobicContact CG2-CG 4.12Å; T165-L169 WeakPolarHBondContact O-CB 3.45Å; T165-L169 WeakPolarHBondContact O-CG 3.36Å; T165-L169 PolarHBondContact O-N 3.15Å; Y166-L169 PolarHBondContact O-N 3.35Å; Y166-L169 VanDerWaalsContact O-N 3.15Å; L169-M172 HydrophobicContact CD2-CB 4.46Å; L169-M172 HydrophobicContact CD2-CG 4.47Å; L169-M172 PolarHBondContact O-N 3.22Å; L169-A173 VanDerWaalsContact O-CB 3.26Å; L169-A173 WeakPolarHBondContact O-CB 3.33Å; L169-A173 PolarHBondContact O-N 3.04Å; L169-V179 HydrophobicContact CD2-CG2 3.71Å; L169-F205 HydrophobicContact CD1-CD1 4.22Å; L169-F205 HydrophobicContact CD1-CE1 3.99Å; L169-C208 VanDerWaalsContact CD1-SG 3.54Å; L169-L213 HydrophobicContact CB-CD1 4.43Å; L169-L214 HydrophobicContact CD1-CD2 4.09Å; L169-Y272 HydrophobicContact CD2-CD1 3.99Å; L169-Y272 HydrophobicContact CD2-CD2 4.17Å; L169-Y272 HydrophobicContact CD2-CG 3.76Å
170	Q	98.9	Very high	98.8	Very high	28 Å²	28	21.9 Å²	21.9	13%	0.131	11%	0.114	C	C	.	.	H	α-helix	trans	-58.7	-47.1	169	-70.3	179.5	-53.8	0	0	111.2	Q142 Y166 I168 K174 E211 L213	Q142-Q170 HydrophobicContact CG-CB 4.08Å; Y166-Q170 HydrophobicContact CD2-CG 4.39Å; Y166-Q170 HydrophobicContact CE2-CG 4Å; Y166-Q170 PolarHBondContact O-N 3.29Å; Y166-Q170 VanDerWaalsContact O-N 3.07Å; Y166-Q170 PolarHBondContact OH-NE2 3.09Å; I168-Q170 VanDerWaalsContact C-N 3.28Å; I168-Q170 PolarHBondContact O-N 3.18Å; Q170-K174 WeakPolarHBondContact O-CB 3.28Å; Q170-K174 PolarHBondContact O-N 3.17Å; Q170-K174 VanDerWaalsContact O-N 3.07Å; Q170-E211 PolarHBondContact NE2-OE2 2.64Å; Q170-L213 HydrophobicContact CB-CD1 4.31Å; Q170-L213 HydrophobicContact CG-CD1 3.47Å; Q170-L213 VanDerWaalsContact CG-CD1 3.47Å; Q170-L213 HydrophobicContact CG-CD2 4.4Å
171	A	98.9	Very high	98.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66.1	-40.9	176.4	0	0	0	0	0	112.6	E146 P167 I168 K174 K175	E146-A171 HydrophobicContact CB-CB 4.43Å; E146-A171 HydrophobicContact CG-CB 3.71Å; P167-A171 PolarHBondContact O-N 3.03Å; I168-A171 WeakPolarHBondContact O-CB 3.36Å; I168-A171 PolarHBondContact O-N 3.35Å; A171-K174 PolarHBondContact O-N 2.85Å; A171-K175 PolarHBondContact O-N 3.08Å
172	M	98.9	Very high	98.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.6	-48.5	176.9	-63.8	-49.6	-63.7	0	0	111.5	V149 P155 I168 L169 K174 K175 H176 V179 Y272 V314	V149-M172 HydrophobicContact CG1-CE 4.39Å; V149-M172 HydrophobicContact CG1-SD 3.5Å; V149-M172 WeakPolarHBondContact CG1-SD 3.45Å; P155-M172 HydrophobicContact CG-SD 4.2Å; I168-M172 HydrophobicContact CG2-CG 4.19Å; I168-M172 WeakPolarHBondContact O-CG 3.36Å; I168-M172 PolarHBondContact O-N 2.99Å; L169-M172 HydrophobicContact CD2-CB 4.46Å; L169-M172 HydrophobicContact CD2-CG 4.47Å; L169-M172 PolarHBondContact O-N 3.22Å; M172-K174 VanDerWaalsContact C-N 3.33Å; M172-K174 PolarHBondContact O-N 3.37Å; M172-K175 PolarHBondContact O-N 3.28Å; M172-H176 WeakPolarHBondContact O-CB 3.37Å; M172-H176 PolarHBondContact O-CD2 3.34Å; M172-H176 PolarHBondContact O-N 2.83Å; M172-V179 HydrophobicContact CB-CG1 4.38Å; M172-Y272 HydrophobicContact CE-CD2 4.32Å; M172-Y272 HydrophobicContact CG-CD2 3.86Å; M172-Y272 HydrophobicContact CG-CE2 3.95Å; M172-Y272 HydrophobicContact SD-CD2 4.44Å; M172-Y272 HydrophobicContact SD-CE2 4.33Å; M172-V314 HydrophobicContact CE-CB 3.78Å; M172-V314 HydrophobicContact CE-CG2 3.52Å; M172-V314 WeakPolarHBondContact CE-O 3.27Å
173	A	98.8	Very high	98.8	Very high	14 Å²	14	21.9 Å²	21.9	12%	0.116	11%	0.114	C	C	.	.	H	α-helix	trans	-65.8	-35.9	-178.5	0	0	0	0	0	112.3	L169 K175 H176 G177 L213	L169-A173 VanDerWaalsContact O-CB 3.26Å; L169-A173 WeakPolarHBondContact O-CB 3.33Å; L169-A173 PolarHBondContact O-N 3.04Å; A173-K175 VanDerWaalsContact C-N 3.26Å; A173-K175 PolarHBondContact O-N 3.16Å; A173-H176 PolarHBondContact O-N 2.93Å; A173-G177 WeakPolarHBondContact CA-O 3.42Å; A173-G177 CarbonylContact O-C 3.58Å; A173-G177 WeakPolarHBondContact O-CA 3.33Å; A173-G177 PolarHBondContact O-N 3.27Å; A173-L213 HydrophobicContact CB-CB 4.04Å; A173-L213 HydrophobicContact CB-CD2 3.9Å
174	K	98.6	Very high	98.8	Very high	144 Å²	144	21.8 Å²	21.8	63%	0.626	11%	0.114	S	C	*	.	H	α-helix	trans	-58	-37.3	174	-173.2	177.8	-173	173.3	0	112.8	E146 Q170 A171 M172	E146-K174 HydrophobicContact CG-CD 4.09Å; E146-K174 WeakPolarHBondContact OE1-CD 3.4Å; E146-K174 IonicContact OE1-NZ 2.67Å; E146-K174 PolarHBondContact OE1-NZ 2.78Å; E146-K174 IonicContact OE2-NZ 2.8Å; E146-K174 PolarHBondContact OE2-NZ 3.07Å; Q170-K174 WeakPolarHBondContact O-CB 3.28Å; Q170-K174 PolarHBondContact O-N 3.17Å; Q170-K174 VanDerWaalsContact O-N 3.07Å; A171-K174 PolarHBondContact O-N 2.85Å; M172-K174 VanDerWaalsContact C-N 3.33Å; M172-K174 PolarHBondContact O-N 3.37Å
175	K	98.4	Very high	98.8	Very high	89 Å²	89	21.8 Å²	21.8	39%	0.387	11%	0.114	S	C	.	.	H	α-helix	trans	-85.7	-40.8	179.1	-179.8	179	170.6	-160.1	0	113.3	V149 A171 M172 A173	V149-K175 HydrophobicContact CB-CD 3.65Å; V149-K175 HydrophobicContact CG2-CB 4.04Å; V149-K175 HydrophobicContact CG2-CD 3.82Å; V149-K175 WeakPolarHBondContact O-CD 2.7Å; V149-K175 WeakPolarHBondContact O-CE 3.28Å; V149-K175 PolarHBondContact O-NZ 2.73Å; A171-K175 PolarHBondContact O-N 3.08Å; M172-K175 PolarHBondContact O-N 3.28Å; A173-K175 VanDerWaalsContact C-N 3.26Å; A173-K175 PolarHBondContact O-N 3.16Å
176	H	98.6	Very high	98.8	Very high	62 Å²	62	21.8 Å²	21.8	29%	0.287	11%	0.114	S	C	.	.	H	α-helix	trans	-107.6	-6.8	-166.6	-66.3	-72.7	0	0	0	114.2	M172 A173 V179 P270	M172-H176 WeakPolarHBondContact O-CB 3.37Å; M172-H176 PolarHBondContact O-CD2 3.34Å; M172-H176 PolarHBondContact O-N 2.83Å; A173-H176 PolarHBondContact O-N 2.93Å; H176-V179 HydrophobicContact CB-CG1 4.07Å; H176-P270 HydrophobicContact CB-CB 4.21Å; H176-P270 HydrophobicContact CB-CG 4.21Å
177	G	98.7	Very high	98.8	Very high	28 Å²	28	22.9 Å²	22.9	29%	0.289	12%	0.119	S	C	.	.	S	Bend	trans	70.4	-176.9	-159.3	0	0	0	0	0	111.4	A173 V179	A173-G177 WeakPolarHBondContact CA-O 3.42Å; A173-G177 CarbonylContact O-C 3.58Å; A173-G177 WeakPolarHBondContact O-CA 3.33Å; A173-G177 PolarHBondContact O-N 3.27Å; G177-V179 PolarHBondContact O-N 2.99Å
178	P	98.7	Very high	98.8	Very high	71 Å²	71	24.1 Å²	24.1	46%	0.461	13%	0.127	S	C	.	.	S	Bend	trans	-55.4	123.6	-179.4	-21.2	30.4	0	0	0	111.6	G212 L213 D215 R218	P178-G212 VanDerWaalsContact CG-O 3.29Å; P178-G212 WeakPolarHBondContact CG-O 3.08Å; P178-L213 VanDerWaalsContact CA-O 3.29Å; P178-L213 WeakPolarHBondContact CA-O 3.38Å; P178-D215 HydrophobicContact CB-CB 4.42Å; P178-R218 PolarHBondContact O-NH2 2.79Å
179	V	98.8	Very high	98.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	155.6	-174.6	-62.6	0	0	0	0	111.3	L169 M172 H176 G177 L213 L214 D215 P270 V314	L169-V179 HydrophobicContact CD2-CG2 3.71Å; M172-V179 HydrophobicContact CB-CG1 4.38Å; H176-V179 HydrophobicContact CB-CG1 4.07Å; G177-V179 PolarHBondContact O-N 2.99Å; V179-L213 PolarHBondContact N-O 3.4Å; V179-L213 VanDerWaalsContact N-O 3.07Å; V179-L214 HydrophobicContact CG2-CD2 4.11Å; V179-L214 WeakPolarHBondContact O-CA 3.21Å; V179-D215 PolarHBondContact O-N 3.12Å; V179-P270 HydrophobicContact CG1-CB 4.3Å; V179-V314 HydrophobicContact CG1-CG2 4.38Å
180	G	98.9	Very high	98.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	155.4	163.9	0	0	0	0	0	109.3	R218 P270 I271 Y272	G180-R218 CarbonylContact C-O 3.56Å; G180-R218 WeakPolarHBondContact CA-O 3.21Å; G180-P270 PolarHBondContact N-O 3.48Å; G180-I271 CarbonylContact O-C 3.47Å; G180-I271 WeakPolarHBondContact O-CA 3.44Å; G180-Y272 PolarHBondContact O-N 3.37Å
181	L	98.9	Very high	98.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122.2	-177.6	-178.7	68.6	0	0	0	110.4	H183 F205 L214 R218 V219 A220 M266 Y272	L181-H183 HydrophobicContact CD2-CB 4.1Å; L181-H183 HydrophobicContact CG-CB 4.09Å; L181-F205 HydrophobicContact CD1-CE1 4.11Å; L181-F205 HydrophobicContact CD2-CD1 3.4Å; L181-F205 VanDerWaalsContact CD2-CD1 3.4Å; L181-F205 HydrophobicContact CD2-CE1 3.43Å; L181-F205 VanDerWaalsContact CD2-CE1 3.43Å; L181-F205 HydrophobicContact CD2-CG 4.15Å; L181-F205 HydrophobicContact CD2-CZ 4.22Å; L181-F205 HydrophobicContact CG-CE1 4.41Å; L181-L214 HydrophobicContact CB-CD2 3.99Å; L181-L214 HydrophobicContact CD2-CD1 4.01Å; L181-L214 HydrophobicContact CD2-CD2 4.29Å; L181-R218 PolarHBondContact N-O 2.93Å; L181-V219 HydrophobicContact CB-CG1 4.21Å; L181-V219 HydrophobicContact CB-CG2 4.09Å; L181-V219 HydrophobicContact CD2-CG1 4.16Å; L181-V219 WeakPolarHBondContact O-CA 3.26Å; L181-A220 PolarHBondContact O-N 2.8Å; L181-M266 WeakPolarHBondContact O-CE 3.26Å; L181-Y272 WeakPolarHBondContact CA-O 3.39Å; L181-Y272 HydrophobicContact CD1-CD1 4.23Å
182	L	98.9	Very high	98.5	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	111.2	159.4	176.4	63	0	0	0	107.5	V184 A220 I222 M259 V262 Y272 I273 S274 I304 C308	L182-V184 HydrophobicContact CD1-CG2 4.49Å; L182-V184 HydrophobicContact CG-CG2 4.29Å; L182-A220 HydrophobicContact CD1-CB 4.4Å; L182-I222 HydrophobicContact CD1-CD1 3.69Å; L182-I222 HydrophobicContact CD1-CG1 4.41Å; L182-M259 HydrophobicContact CD2-CE 4.27Å; L182-V262 HydrophobicContact CD1-CG1 4.19Å; L182-Y272 PolarHBondContact N-O 3.49Å; L182-I273 HydrophobicContact CD2-CG1 4.48Å; L182-I273 HydrophobicContact CD2-CG2 4.41Å; L182-I273 WeakPolarHBondContact O-CA 3.49Å; L182-S274 PolarHBondContact O-N 3.33Å; L182-I304 HydrophobicContact CD1-CG2 4.4Å; L182-I304 HydrophobicContact CD2-CG2 3.87Å; L182-I304 HydrophobicContact CG-CG2 4.48Å; L182-C308 WeakPolarHBondContact CD2-SG 2.95Å
183	H	98.9	Very high	98.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.9	-177.4	-180	-126.1	0	0	0	109	H162 L181 D185 H187 F205 A220 Q221 I222 S274	H162-H183 AromaticContact CE1-CD2 3.78Å; H162-H183 AromaticContact CE1-NE2 3.2Å; H162-H183 PolarHBondContact CE1-NE2 3.18Å; H162-H183 AromaticContact NE2-NE2 3.8Å; L181-H183 HydrophobicContact CD2-CB 4.1Å; L181-H183 HydrophobicContact CG-CB 4.09Å; H183-D185 WeakPolarHBondContact CE1-CB 3.39Å; H183-D185 IonicContact CE1-OD2 3.65Å; H183-D185 PolarHBondContact CE1-OD2 3.34Å; H183-D185 VanDerWaalsContact CE1-OD2 3.26Å; H183-D185 WeakPolarHBondContact NE2-CB 3.48Å; H183-D185 IonicContact NE2-OD2 3.7Å; H183-D185 PolarHBondContact NE2-OD2 3.21Å; H183-H187 PolarHBondContact CE1-O 2.96Å; H183-H187 VanDerWaalsContact CE1-O 3.32Å; H183-F205 AromaticContact CD2-CE2 3.4Å; H183-F205 VanDerWaalsContact CD2-CE2 3.4Å; H183-F205 WeakPolarHBondContact CD2-CE2 3.37Å; H183-F205 AromaticContact CD2-CZ 3.51Å; H183-F205 AromaticContact CE1-CE2 3.67Å; H183-F205 AromaticContact NE2-CD2 3.92Å; H183-F205 AromaticContact NE2-CE2 3.08Å; H183-F205 WeakPolarHBondContact NE2-CE2 3.4Å; H183-F205 AromaticContact NE2-CZ 3.68Å; H183-A220 PolarHBondContact N-O 2.9Å; H183-Q221 HydrophobicContact CB-CB 4.49Å; H183-Q221 HydrophobicContact CB-CG 4.07Å; H183-Q221 PolarHBondContact ND1-NE2 2.88Å; H183-Q221 VanDerWaalsContact ND1-NE2 3.19Å; H183-Q221 CarbonylContact O-C 3.16Å; H183-Q221 VanDerWaalsContact O-CA 3.24Å; H183-Q221 WeakPolarHBondContact O-CA 3.14Å; H183-I222 PolarHBondContact O-N 2.83Å; H183-S274 WeakPolarHBondContact CA-O 3.35Å
184	V	98.9	Very high	98.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	110.1	179.8	-172.4	0	0	0	0	107.5	L182 I222 S274 F275 D276 A279 L296 I304	L182-V184 HydrophobicContact CD1-CG2 4.49Å; L182-V184 HydrophobicContact CG-CG2 4.29Å; V184-I222 WeakPolarHBondContact CA-O 3.49Å; V184-S274 PolarHBondContact N-O 2.71Å; V184-F275 HydrophobicContact CB-CD2 3.74Å; V184-F275 HydrophobicContact CB-CE2 3.9Å; V184-F275 HydrophobicContact CB-CG 4.14Å; V184-F275 HydrophobicContact CB-CZ 4.41Å; V184-F275 HydrophobicContact CG1-CD2 4.02Å; V184-F275 HydrophobicContact CG1-CE1 4.4Å; V184-F275 HydrophobicContact CG1-CE2 3.63Å; V184-F275 HydrophobicContact CG1-CZ 3.82Å; V184-F275 HydrophobicContact CG2-CD2 3.96Å; V184-F275 HydrophobicContact CG2-CE2 4.18Å; V184-D276 PolarHBondContact O-N 2.82Å; V184-A279 HydrophobicContact CG1-CB 3.74Å; V184-L296 HydrophobicContact CG1-CD1 3.98Å; V184-I304 HydrophobicContact CG1-CD1 4.2Å; V184-I304 HydrophobicContact CG2-CG2 3.72Å
185	D	98.9	Very high	98.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.208	C	C	.	.			trans	-161	154	-164.2	-159.2	-41.2	0	0	0	111	H162 H183 H187 I222 G223 I224 D276	H162-D185 IonicContact CE1-OD2 2.85Å; H162-D185 PolarHBondContact CE1-OD2 3.12Å; H162-D185 IonicContact ND1-OD2 3.26Å; H162-D185 PolarHBondContact ND1-OD2 3.41Å; H162-D185 VanDerWaalsContact ND1-OD2 3.08Å; H183-D185 WeakPolarHBondContact CE1-CB 3.39Å; H183-D185 IonicContact CE1-OD2 3.65Å; H183-D185 PolarHBondContact CE1-OD2 3.34Å; H183-D185 VanDerWaalsContact CE1-OD2 3.26Å; H183-D185 WeakPolarHBondContact NE2-CB 3.48Å; H183-D185 IonicContact NE2-OD2 3.7Å; H183-D185 PolarHBondContact NE2-OD2 3.21Å; D185-H187 WeakPolarHBondContact CB-O 3.36Å; D185-H187 VanDerWaalsContact CG-O 3.26Å; D185-H187 PolarHBondContact OD1-N 3.44Å; D185-H187 IonicContact OD1-ND1 2.77Å; D185-I222 PolarHBondContact N-O 2.95Å; D185-G223 CarbonylContact O-C 3.36Å; D185-G223 WeakPolarHBondContact O-CA 3.06Å; D185-I224 PolarHBondContact O-N 3.1Å; D185-D276 HydrophobicContact CB-CB 3.98Å; D185-D276 VanDerWaalsContact CG-CB 3.45Å; D185-D276 WeakPolarHBondContact OD2-CB 3.38Å
186	A	98.8	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-74.1	-30.1	164.9	0	0	0	0	0	112.7	I224 R225 D278 E292	A186-I224 CarbonylContact O-C 3.53Å; A186-I224 WeakPolarHBondContact O-CA 3.47Å; A186-R225 HydrophobicContact CB-CG 4.36Å; A186-R225 VanDerWaalsContact CB-NH1 3.3Å; A186-R225 PolarHBondContact O-N 3.4Å; A186-D278 VanDerWaalsContact CB-OD1 3.3Å; A186-D278 WeakPolarHBondContact CB-OD1 3.39Å; A186-D278 PolarHBondContact N-OD1 3.06Å; A186-E292 HydrophobicContact CB-CB 4.12Å; A186-E292 HydrophobicContact CB-CG 4.07Å
187	H	98.8	Very high	98	Very high	44 Å²	44	37 Å²	37	20%	0.204	22%	0.223	C	C	.	.	S	Bend	trans	-113.3	160.5	-175	-49.1	103.2	0	0	0	111.6	H183 D185 D189 I224 D278 T290 E292	H183-H187 PolarHBondContact CE1-O 2.96Å; H183-H187 VanDerWaalsContact CE1-O 3.32Å; D185-H187 WeakPolarHBondContact CB-O 3.36Å; D185-H187 VanDerWaalsContact CG-O 3.26Å; D185-H187 PolarHBondContact OD1-N 3.44Å; D185-H187 IonicContact OD1-ND1 2.77Å; H187-D189 WeakPolarHBondContact CB-OD1 3.42Å; H187-I224 WeakPolarHBondContact O-CD1 3.35Å; H187-D278 IonicContact CE1-OD2 3.71Å; H187-D278 PolarHBondContact CE1-OD2 2.93Å; H187-D278 VanDerWaalsContact CE1-OD2 3.27Å; H187-D278 IonicContact ND1-OD1 3.94Å; H187-D278 IonicContact ND1-OD2 3.99Å; H187-D278 PolarHBondContact ND1-OD2 3.02Å; H187-T290 PolarHBondContact CE1-O 3.37Å; H187-T290 VanDerWaalsContact CE1-O 3.32Å; H187-E292 WeakPolarHBondContact NE2-CG 3.32Å; H187-E292 IonicContact NE2-OE1 3.37Å; H187-E292 PolarHBondContact NE2-OE1 3.09Å
188	T	98.4	Very high	97.9	Very high	25 Å²	25	40.2 Å²	40.2	15%	0.153	23%	0.229	C	C	.	.			trans	-87.7	-17.3	-178.6	56.9	0	0	0	0	114	T190 Q221 I224 Y234	T188-T190 WeakPolarHBondContact CB-OG1 3.33Å; T188-T190 WeakPolarHBondContact O-CG2 3.37Å; T188-T190 PolarHBondContact O-N 3.4Å; T188-T190 PolarHBondContact O-OG1 3.17Å; T188-T190 PolarHBondContact OG1-OG1 2.63Å; T188-Q221 PolarHBondContact O-NE2 2.95Å; T188-I224 HydrophobicContact CG2-CD1 4.02Å; T188-I224 HydrophobicContact CG2-CG1 4.33Å; T188-I224 HydrophobicContact CG2-CG2 3.75Å; T188-Y234 HydrophobicContact CG2-CD1 3.76Å; T188-Y234 HydrophobicContact CG2-CE1 4.08Å
189	D	98.4	Very high	97.9	Very high	9 Å²	9	38.5 Å²	38.5	5%	0.048	22%	0.215	C	C	.	.			trans	50.3	36.3	177.2	-73.8	11.9	0	0	0	115.4	H162 H187 H201 G202 A203 P204 F205	H162-D189 IonicContact CE1-OD2 2.69Å; H162-D189 IonicContact CG-OD2 4Å; H162-D189 IonicContact ND1-OD2 3.26Å; H162-D189 PolarHBondContact ND1-OD2 3.04Å; H162-D189 VanDerWaalsContact ND1-OD2 3.08Å; H187-D189 WeakPolarHBondContact CB-OD1 3.42Å; D189-H201 VanDerWaalsContact CG-O 3.3Å; D189-G202 CarbonylContact C-O 3.57Å; D189-G202 VanDerWaalsContact CA-O 3.3Å; D189-G202 WeakPolarHBondContact CA-O 3.47Å; D189-A203 CarbonylContact O-C 3.51Å; D189-P204 HydrophobicContact CB-CG 4.01Å; D189-F205 HydrophobicContact CB-CD2 3.56Å; D189-F205 HydrophobicContact CB-CE2 3.81Å; D189-F205 PolarHBondContact O-N 3.37Å
190	T	98.2	Very high	97.9	Very high	9 Å²	9	40 Å²	40	6%	0.055	22%	0.221	C	C	.	.			trans	-125.2	20.6	-178.9	48.1	0	0	0	0	113.2	T188 G202 F205 Y236 N237 F242	T188-T190 WeakPolarHBondContact CB-OG1 3.33Å; T188-T190 WeakPolarHBondContact O-CG2 3.37Å; T188-T190 PolarHBondContact O-N 3.4Å; T188-T190 PolarHBondContact O-OG1 3.17Å; T188-T190 PolarHBondContact OG1-OG1 2.63Å; T190-G202 PolarHBondContact N-O 3.1Å; T190-F205 HydrophobicContact CG2-CB 3.77Å; T190-Y236 HydrophobicContact CG2-CD1 4.49Å; T190-Y236 HydrophobicContact CG2-CE1 4.32Å; T190-N237 WeakPolarHBondContact CB-OD1 3.28Å; T190-N237 WeakPolarHBondContact CG2-OD1 3.44Å; T190-N237 PolarHBondContact OG1-ND2 2.66Å; T190-N237 PolarHBondContact OG1-OD1 2.92Å; T190-F242 HydrophobicContact CG2-CE2 3.98Å
191	A	96.3	Very high	97.9	Very high	43 Å²	43	40.5 Å²	40.5	36%	0.355	22%	0.224	S	C	.	.			trans	-63.5	152.6	170.7	0	0	0	0	0	110.5	Y200 G202 A203 R206	A191-Y200 WeakPolarHBondContact CB-OH 3.32Å; A191-G202 WeakPolarHBondContact CB-O 3.37Å; A191-G202 PolarHBondContact N-O 3.48Å; A191-A203 WeakPolarHBondContact O-CB 3.47Å; A191-R206 VanDerWaalsContact O-CB 3.22Å; A191-R206 WeakPolarHBondContact O-CB 3.43Å
192	D	96.2	Very high	97.8	Very high	71 Å²	71	41.1 Å²	41.1	38%	0.38	23%	0.23	S	C	.	.			trans	-82.6	-54.2	-176.4	-168.8	24.1	0	0	0	112	R207	D192-R207 PolarHBondContact O-NH2 2.96Å; D192-R207 IonicContact OD1-CZ 3.78Å; D192-R207 IonicContact OD1-NH2 3.38Å; D192-R207 PolarHBondContact OD1-NH2 3.34Å
193	E	95.8	Very high	97.8	Very high	102 Å²	102	41 Å²	41	48%	0.477	23%	0.229	S	C	.	.			trans	-151.1	146.2	-174.9	-169.9	-178.1	105.5	0	0	110.2	G196 E197 K198	E193-G196 WeakPolarHBondContact OE1-CA 3.38Å; E193-G196 PolarHBondContact OE1-N 3.41Å; E193-E197 WeakPolarHBondContact CA-O 3.34Å; E193-E197 WeakPolarHBondContact CG-O 3.4Å; E193-K198 HydrophobicContact CB-CG 4.4Å; E193-K198 HydrophobicContact CG-CG 4.27Å
194	A	95.4	Very high	97.8	Very high	37 Å²	37	41.1 Å²	41.1	31%	0.306	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-131.6	130.7	167.8	0	0	0	0	0	109.6	G196 E197 Y200	A194-G196 PolarHBondContact O-N 3.26Å; A194-G196 VanDerWaalsContact O-N 3.13Å; A194-E197 PolarHBondContact N-O 2.82Å; A194-E197 PolarHBondContact O-N 3.03Å; A194-Y200 HydrophobicContact CB-CD1 4.27Å; A194-Y200 HydrophobicContact CB-CD2 4.4Å; A194-Y200 HydrophobicContact CB-CE1 3.72Å; A194-Y200 HydrophobicContact CB-CE2 3.87Å; A194-Y200 VanDerWaalsContact CB-CZ 3.48Å
195	L	96.3	Very high	97.8	Very high	184 Å²	184	41.1 Å²	41.1	96%	0.963	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	29.4	178	-53.9	176.9	0	0	0	114.9
196	G	96.8	Very high	97.8	Very high	47 Å²	47	43.6 Å²	43.6	49%	0.485	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-5.3	-175.6	0	0	0	0	0	114.6	E193 A194	E193-G196 WeakPolarHBondContact OE1-CA 3.38Å; E193-G196 PolarHBondContact OE1-N 3.41Å; A194-G196 PolarHBondContact O-N 3.26Å; A194-G196 VanDerWaalsContact O-N 3.13Å
197	E	97.8	Very high	97.8	Very high	107 Å²	107	44.5 Å²	44.5	50%	0.5	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-113.4	138.1	-172.7	-64.2	-62.5	159.7	0	0	112.7	E193 A194	E193-E197 WeakPolarHBondContact CA-O 3.34Å; E193-E197 WeakPolarHBondContact CG-O 3.4Å; A194-E197 PolarHBondContact N-O 2.82Å; A194-E197 PolarHBondContact O-N 3.03Å
198	K	97.9	Very high	97.8	Very high	95 Å²	95	42.4 Å²	42.4	41%	0.413	23%	0.233	S	C	.	.	S	Bend	trans	-101.5	-11	-178.5	-66.9	-168.1	173.9	-166.9	0	114.3	E193 R207	E193-K198 HydrophobicContact CB-CG 4.4Å; E193-K198 HydrophobicContact CG-CG 4.27Å; K198-R207 WeakPolarHBondContact O-CD 3.38Å; K198-R207 PolarHBondContact O-NE 3.4Å
199	L	98.2	Very high	97.8	Very high	34 Å²	34	42.1 Å²	42.1	18%	0.178	23%	0.231	C	C	.	.			trans	-110.3	102.3	179.8	-61.2	-176.8	0	0	0	108.7	L134 Q135 Y166 R207	L134-L199 HydrophobicContact CD2-CB 4.04Å; L134-L199 WeakPolarHBondContact CD2-O 3.31Å; L134-L199 HydrophobicContact CG-CB 4.44Å; Q135-L199 HydrophobicContact CG-CD1 3.89Å; Y166-L199 HydrophobicContact CD1-CD2 3.91Å; Y166-L199 HydrophobicContact CE1-CD2 3.65Å; L199-R207 HydrophobicContact CD2-CG 4.21Å
200	Y	98.6	Very high	97.8	Very high	31 Å²	31	45.8 Å²	45.8	12%	0.122	25%	0.251	C	S	.	.	S	Bend	trans	-166.5	169.8	175.1	68.6	-79.1	0	0	0	108.1	G83 A191 A194 G202 A203	G83-Y200 WeakPolarHBondContact O-CA 3.49Å; G83-Y200 VanDerWaalsContact O-CB 3.32Å; G83-Y200 WeakPolarHBondContact O-CB 3.3Å; A191-Y200 WeakPolarHBondContact CB-OH 3.32Å; A194-Y200 HydrophobicContact CB-CD1 4.27Å; A194-Y200 HydrophobicContact CB-CD2 4.4Å; A194-Y200 HydrophobicContact CB-CE1 3.72Å; A194-Y200 HydrophobicContact CB-CE2 3.87Å; A194-Y200 VanDerWaalsContact CB-CZ 3.48Å; Y200-G202 VanDerWaalsContact CD2-N 3.3Å; Y200-G202 PolarHBondContact O-N 3.13Å; Y200-G202 VanDerWaalsContact O-N 3.14Å; Y200-A203 HydrophobicContact CD1-CB 3.93Å; Y200-A203 HydrophobicContact CE1-CB 3.5Å; Y200-A203 PolarHBondContact O-N 2.84Å; Y200-A203 VanDerWaalsContact O-N 3.13Å
201	H	98.6	Very high	97.8	Very high	12 Å²	12	50.1 Å²	50.1	6%	0.056	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.5	-167.8	75.8	130.1	0	0	0	114.1	G83 S85 D161 H162 T163 D189 A203 P204 E320	G83-H201 PolarHBondContact O-CD2 3.07Å; G83-H201 PolarHBondContact O-N 3.4Å; S85-H201 PolarHBondContact N-NE2 3.15Å; S85-H201 PolarHBondContact OG-NE2 3.32Å; D161-H201 HydrophobicContact CB-CB 4.13Å; H162-H201 HydrophobicContact CB-CB 4.19Å; T163-H201 VanDerWaalsContact OG1-CA 3.29Å; T163-H201 WeakPolarHBondContact OG1-CA 3.46Å; T163-H201 PolarHBondContact OG1-N 3.06Å; D189-H201 VanDerWaalsContact CG-O 3.3Å; H201-A203 PolarHBondContact O-N 2.95Å; H201-P204 WeakPolarHBondContact O-CD 3.47Å; H201-E320 IonicContact CG-OE1 3.24Å; H201-E320 IonicContact ND1-OE1 2.78Å; H201-E320 PolarHBondContact ND1-OE1 3.35Å
202	G	98.3	Very high	97.9	Very high	12 Å²	12	49.9 Å²	49.9	12%	0.124	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4.1	178.2	0	0	0	0	0	115.9	D189 T190 A191 Y200	D189-G202 CarbonylContact C-O 3.57Å; D189-G202 VanDerWaalsContact CA-O 3.3Å; D189-G202 WeakPolarHBondContact CA-O 3.47Å; T190-G202 PolarHBondContact N-O 3.1Å; A191-G202 WeakPolarHBondContact CB-O 3.37Å; A191-G202 PolarHBondContact N-O 3.48Å; Y200-G202 VanDerWaalsContact CD2-N 3.3Å; Y200-G202 PolarHBondContact O-N 3.13Å; Y200-G202 VanDerWaalsContact O-N 3.14Å
203	A	98.3	Very high	98.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-124.7	2.9	-178.9	0	0	0	0	0	117.9	D189 A191 Y200 H201 F205 R206 R207	D189-A203 CarbonylContact O-C 3.51Å; A191-A203 WeakPolarHBondContact O-CB 3.47Å; Y200-A203 HydrophobicContact CD1-CB 3.93Å; Y200-A203 HydrophobicContact CE1-CB 3.5Å; Y200-A203 PolarHBondContact O-N 2.84Å; Y200-A203 VanDerWaalsContact O-N 3.13Å; H201-A203 PolarHBondContact O-N 2.95Å; A203-F205 VanDerWaalsContact C-N 3.33Å; A203-F205 PolarHBondContact O-N 3.24Å; A203-R206 WeakPolarHBondContact O-CB 3.44Å; A203-R206 PolarHBondContact O-N 3.34Å; A203-R206 VanDerWaalsContact O-N 3.08Å; A203-R207 WeakPolarHBondContact O-CG 3.28Å; A203-R207 PolarHBondContact O-N 2.86Å; A203-R207 VanDerWaalsContact O-N 3.15Å
204	P	98.8	Very high	98.2	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.013	24%	0.237	C	C	.	.	H	α-helix	trans	-58.6	-42.2	-170	25.4	-35.6	0	0	0	112.3	D189 H201 R206 R207 C208	D189-P204 HydrophobicContact CB-CG 4.01Å; H201-P204 WeakPolarHBondContact O-CD 3.47Å; P204-R206 VanDerWaalsContact C-N 3.34Å; P204-R206 PolarHBondContact O-N 3.03Å; P204-R207 WeakPolarHBondContact O-CB 3.24Å; P204-R207 PolarHBondContact O-N 3.33Å; P204-C208 PolarHBondContact O-N 3.19Å; P204-C208 PolarHBondContact O-SG 2.77Å
205	F	98.9	Very high	98.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-77.4	-22.4	-177.9	-55.3	-64.4	0	0	0	112.8	H162 T165 L169 L181 H183 D189 T190 A203 C208 V209 L214	H162-F205 AromaticContact CE1-CE2 3.92Å; H162-F205 AromaticContact NE2-CE2 3.61Å; H162-F205 AromaticContact NE2-CZ 3.4Å; H162-F205 WeakPolarHBondContact NE2-CZ 3.37Å; T165-F205 HydrophobicContact CG2-CE1 3.88Å; T165-F205 HydrophobicContact CG2-CZ 4.06Å; L169-F205 HydrophobicContact CD1-CD1 4.22Å; L169-F205 HydrophobicContact CD1-CE1 3.99Å; L181-F205 HydrophobicContact CD1-CE1 4.11Å; L181-F205 HydrophobicContact CD2-CD1 3.4Å; L181-F205 VanDerWaalsContact CD2-CD1 3.4Å; L181-F205 HydrophobicContact CD2-CE1 3.43Å; L181-F205 VanDerWaalsContact CD2-CE1 3.43Å; L181-F205 HydrophobicContact CD2-CG 4.15Å; L181-F205 HydrophobicContact CD2-CZ 4.22Å; L181-F205 HydrophobicContact CG-CE1 4.41Å; H183-F205 AromaticContact CD2-CE2 3.4Å; H183-F205 VanDerWaalsContact CD2-CE2 3.4Å; H183-F205 WeakPolarHBondContact CD2-CE2 3.37Å; H183-F205 AromaticContact CD2-CZ 3.51Å; H183-F205 AromaticContact CE1-CE2 3.67Å; H183-F205 AromaticContact NE2-CD2 3.92Å; H183-F205 AromaticContact NE2-CE2 3.08Å; H183-F205 WeakPolarHBondContact NE2-CE2 3.4Å; H183-F205 AromaticContact NE2-CZ 3.68Å; D189-F205 HydrophobicContact CB-CD2 3.56Å; D189-F205 HydrophobicContact CB-CE2 3.81Å; D189-F205 PolarHBondContact O-N 3.37Å; T190-F205 HydrophobicContact CG2-CB 3.77Å; A203-F205 VanDerWaalsContact C-N 3.33Å; A203-F205 PolarHBondContact O-N 3.24Å; F205-C208 PolarHBondContact O-N 3Å; F205-V209 WeakPolarHBondContact O-CG2 3.4Å; F205-V209 PolarHBondContact O-N 3.2Å; F205-L214 HydrophobicContact CD1-CD1 4.36Å
206	R	98.6	Very high	98.5	Very high	52 Å²	52	35.3 Å²	35.3	20%	0.196	20%	0.195	C	C	.	.	H	α-helix	trans	-64.4	-46.2	168.2	-177.2	61	-172.3	-121.1	1.4	110.8	A191 A203 P204 C208 V209 D210 Y236	A191-R206 VanDerWaalsContact O-CB 3.22Å; A191-R206 WeakPolarHBondContact O-CB 3.43Å; A203-R206 WeakPolarHBondContact O-CB 3.44Å; A203-R206 PolarHBondContact O-N 3.34Å; A203-R206 VanDerWaalsContact O-N 3.08Å; P204-R206 VanDerWaalsContact C-N 3.34Å; P204-R206 PolarHBondContact O-N 3.03Å; R206-C208 VanDerWaalsContact C-N 3.28Å; R206-C208 PolarHBondContact O-N 2.79Å; R206-V209 PolarHBondContact O-N 2.95Å; R206-D210 IonicContact NE-OD1 3.05Å; R206-D210 PolarHBondContact NE-OD1 2.67Å; R206-D210 IonicContact NE-OD2 3.8Å; R206-D210 PolarHBondContact O-N 3.32Å; R206-Y236 WeakPolarHBondContact CD-OH 3.42Å; R206-Y236 PolarHBondContact NE-OH 2.83Å; R206-Y236 VanDerWaalsContact NE-OH 3.14Å
207	R	98.7	Very high	98.6	Very high	18 Å²	18	40.9 Å²	40.9	7%	0.068	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-41.6	174.6	-54.6	-60.5	112.6	-114.5	8.4	111.4	Y166 D192 K198 L199 A203 P204 V209 D210 E211	Y166-R207 HydrophobicContact CD1-CB 4.36Å; Y166-R207 HydrophobicContact CD2-CB 3.58Å; Y166-R207 HydrophobicContact CE1-CB 4.25Å; Y166-R207 HydrophobicContact CE1-CG 4.5Å; Y166-R207 HydrophobicContact CE2-CB 3.44Å; Y166-R207 VanDerWaalsContact CE2-CB 3.44Å; Y166-R207 HydrophobicContact CE2-CG 4.49Å; Y166-R207 HydrophobicContact CG-CB 4.04Å; D192-R207 PolarHBondContact O-NH2 2.96Å; D192-R207 IonicContact OD1-CZ 3.78Å; D192-R207 IonicContact OD1-NH2 3.38Å; D192-R207 PolarHBondContact OD1-NH2 3.34Å; K198-R207 WeakPolarHBondContact O-CD 3.38Å; K198-R207 PolarHBondContact O-NE 3.4Å; L199-R207 HydrophobicContact CD2-CG 4.21Å; A203-R207 WeakPolarHBondContact O-CG 3.28Å; A203-R207 PolarHBondContact O-N 2.86Å; A203-R207 VanDerWaalsContact O-N 3.15Å; P204-R207 WeakPolarHBondContact O-CB 3.24Å; P204-R207 PolarHBondContact O-N 3.33Å; R207-V209 VanDerWaalsContact C-N 3.34Å; R207-V209 PolarHBondContact O-N 3.26Å; R207-D210 IonicContact CZ-OD2 3.08Å; R207-D210 IonicContact NH1-OD2 3.99Å; R207-D210 PolarHBondContact NH1-OD2 3.27Å; R207-D210 IonicContact NH2-OD2 3.9Å; R207-D210 PolarHBondContact O-N 3.47Å; R207-E211 PolarHBondContact O-N 2.64Å
208	C	98.9	Very high	98.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-37.2	177.9	-63.8	0	0	0	0	113.7	L169 P204 F205 R206 G212 L213 L214	L169-C208 VanDerWaalsContact CD1-SG 3.54Å; P204-C208 PolarHBondContact O-N 3.19Å; P204-C208 PolarHBondContact O-SG 2.77Å; F205-C208 PolarHBondContact O-N 3Å; R206-C208 VanDerWaalsContact C-N 3.28Å; R206-C208 PolarHBondContact O-N 2.79Å; C208-G212 PolarHBondContact O-N 3.13Å; C208-L213 HydrophobicContact CB-CB 4.11Å; C208-L213 HydrophobicContact CB-CD1 4.19Å; C208-L213 HydrophobicContact CB-CG 4.46Å; C208-L213 PolarHBondContact O-N 3.19Å; C208-L214 HydrophobicContact CB-CD1 3.82Å; C208-L214 HydrophobicContact CB-CG 3.84Å
209	V	98.8	Very high	98.6	Very high	20 Å²	20	32 Å²	32	12%	0.121	17%	0.166	C	C	.	.	H	α-helix	trans	-68.1	-47.2	174.1	172.9	0	0	0	0	110.9	F205 R206 R207 E211 G212 L214 Y236 Q240 F242	F205-V209 WeakPolarHBondContact O-CG2 3.4Å; F205-V209 PolarHBondContact O-N 3.2Å; R206-V209 PolarHBondContact O-N 2.95Å; R207-V209 VanDerWaalsContact C-N 3.34Å; R207-V209 PolarHBondContact O-N 3.26Å; V209-E211 PolarHBondContact O-N 3.48Å; V209-G212 PolarHBondContact O-N 3.34Å; V209-L214 HydrophobicContact CG2-CD1 4.5Å; V209-Y236 WeakPolarHBondContact CG1-OH 3.24Å; V209-Q240 HydrophobicContact CG1-CG 4.17Å; V209-F242 HydrophobicContact CG2-CE1 4.07Å; V209-F242 HydrophobicContact CG2-CE2 4.45Å; V209-F242 HydrophobicContact CG2-CZ 3.46Å; V209-F242 VanDerWaalsContact CG2-CZ 3.46Å
210	D	98.6	Very high	98.7	Very high	85 Å²	85	30.4 Å²	30.4	46%	0.455	16%	0.157	S	C	.	.	H	α-helix	trans	-60.2	-31.6	-177.6	-72.6	6.4	0	0	0	111.9	R206 R207	R206-D210 IonicContact NE-OD1 3.05Å; R206-D210 PolarHBondContact NE-OD1 2.67Å; R206-D210 IonicContact NE-OD2 3.8Å; R206-D210 PolarHBondContact O-N 3.32Å; R207-D210 IonicContact CZ-OD2 3.08Å; R207-D210 IonicContact NH1-OD2 3.99Å; R207-D210 PolarHBondContact NH1-OD2 3.27Å; R207-D210 IonicContact NH2-OD2 3.9Å; R207-D210 PolarHBondContact O-N 3.47Å
211	E	98.7	Very high	98.7	Very high	100 Å²	100	28.9 Å²	28.9	47%	0.467	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	0.9	175.6	-65.7	-165.9	172.3	0	0	114.6	Y166 Q170 R207 V209 L213	Y166-E211 PolarHBondContact OH-OE1 3.41Å; Y166-E211 PolarHBondContact OH-OE2 3.49Å; Q170-E211 PolarHBondContact NE2-OE2 2.64Å; R207-E211 PolarHBondContact O-N 2.64Å; V209-E211 PolarHBondContact O-N 3.48Å; E211-L213 VanDerWaalsContact C-N 3.33Å; E211-L213 HydrophobicContact CB-CD1 4.26Å; E211-L213 HydrophobicContact CB-CD2 3.92Å; E211-L213 HydrophobicContact CB-CG 3.82Å; E211-L213 PolarHBondContact O-N 2.95Å
212	G	98.8	Very high	98.7	Very high	39 Å²	39	28.3 Å²	28.3	40%	0.402	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	29.3	179.5	0	0	0	0	0	114.3	P178 C208 V209 L214	P178-G212 VanDerWaalsContact CG-O 3.29Å; P178-G212 WeakPolarHBondContact CG-O 3.08Å; C208-G212 PolarHBondContact O-N 3.13Å; V209-G212 PolarHBondContact O-N 3.34Å; G212-L214 VanDerWaalsContact C-N 3.31Å
213	L	98.9	Very high	98.7	Very high	15 Å²	15	27.8 Å²	27.8	8%	0.079	14%	0.143	C	C	.	.			trans	-78.1	-17.8	-179.2	-47.1	-179.3	0	0	0	112.7	Y166 L169 Q170 A173 P178 V179 C208 E211	Y166-L213 HydrophobicContact CD2-CD1 4.21Å; Y166-L213 HydrophobicContact CE2-CD1 4.05Å; L169-L213 HydrophobicContact CB-CD1 4.43Å; Q170-L213 HydrophobicContact CB-CD1 4.31Å; Q170-L213 HydrophobicContact CG-CD1 3.47Å; Q170-L213 VanDerWaalsContact CG-CD1 3.47Å; Q170-L213 HydrophobicContact CG-CD2 4.4Å; A173-L213 HydrophobicContact CB-CB 4.04Å; A173-L213 HydrophobicContact CB-CD2 3.9Å; P178-L213 VanDerWaalsContact CA-O 3.29Å; P178-L213 WeakPolarHBondContact CA-O 3.38Å; V179-L213 PolarHBondContact N-O 3.4Å; V179-L213 VanDerWaalsContact N-O 3.07Å; C208-L213 HydrophobicContact CB-CB 4.11Å; C208-L213 HydrophobicContact CB-CD1 4.19Å; C208-L213 HydrophobicContact CB-CG 4.46Å; C208-L213 PolarHBondContact O-N 3.19Å; E211-L213 VanDerWaalsContact C-N 3.33Å; E211-L213 HydrophobicContact CB-CD1 4.26Å; E211-L213 HydrophobicContact CB-CD2 3.92Å; E211-L213 HydrophobicContact CB-CG 3.82Å; E211-L213 PolarHBondContact O-N 2.95Å
214	L	98.9	Very high	98.8	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.037	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.1	-178.7	-61.6	178	0	0	0	111.8	L169 V179 L181 F205 C208 V209 G212 C216 V219 F242	L169-L214 HydrophobicContact CD1-CD2 4.09Å; V179-L214 HydrophobicContact CG2-CD2 4.11Å; V179-L214 WeakPolarHBondContact O-CA 3.21Å; L181-L214 HydrophobicContact CB-CD2 3.99Å; L181-L214 HydrophobicContact CD2-CD1 4.01Å; L181-L214 HydrophobicContact CD2-CD2 4.29Å; F205-L214 HydrophobicContact CD1-CD1 4.36Å; C208-L214 HydrophobicContact CB-CD1 3.82Å; C208-L214 HydrophobicContact CB-CG 3.84Å; V209-L214 HydrophobicContact CG2-CD1 4.5Å; G212-L214 VanDerWaalsContact C-N 3.31Å; L214-C216 PolarHBondContact O-N 3.04Å; L214-C216 VanDerWaalsContact O-N 3.11Å; L214-V219 HydrophobicContact CB-CG2 4.27Å; L214-V219 HydrophobicContact CD1-CG2 4.31Å; L214-F242 HydrophobicContact CD1-CZ 4.34Å
215	D	98.7	Very high	98.7	Very high	38 Å²	38	28.4 Å²	28.4	20%	0.203	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	93.4	160.5	-175.7	-13.9	0	0	0	107.8	P178 V179 K217 R218 K269	P178-D215 HydrophobicContact CB-CB 4.42Å; V179-D215 PolarHBondContact O-N 3.12Å; D215-K217 PolarHBondContact O-N 2.82Å; D215-R218 HydrophobicContact CB-CB 4.35Å; D215-R218 HydrophobicContact CB-CG 4.5Å; D215-R218 CarbonylContact O-C 3.36Å; D215-R218 WeakPolarHBondContact O-CA 3.4Å; D215-R218 PolarHBondContact O-N 3.28Å; D215-R218 IonicContact OD2-CZ 2.62Å; D215-R218 IonicContact OD2-NE 2.75Å; D215-R218 PolarHBondContact OD2-NE 3.07Å; D215-R218 IonicContact OD2-NH2 3.66Å; D215-K269 IonicContact OD2-NZ 3.76Å
216	C	98.5	Very high	98.5	Very high	27 Å²	27	30 Å²	30	18%	0.182	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	-21.4	-168.2	-63.3	0	0	0	0	114.2	L214 R218 Q240 G241 F242	L214-C216 PolarHBondContact O-N 3.04Å; L214-C216 VanDerWaalsContact O-N 3.11Å; C216-R218 VanDerWaalsContact C-N 3.26Å; C216-R218 PolarHBondContact O-N 2.86Å; C216-Q240 HydrophobicContact CB-CB 4.46Å; C216-Q240 WeakPolarHBondContact CB-O 3.46Å; C216-G241 CarbonylContact O-C 3.58Å; C216-F242 HydrophobicContact CB-CD1 4.29Å; C216-F242 HydrophobicContact CB-CE1 3.85Å; C216-F242 WeakPolarHBondContact O-CD1 3.39Å
217	K	98.4	Very high	98.2	Very high	165 Å²	165	37.4 Å²	37.4	72%	0.717	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	-12.8	174	-65	-176.7	179.8	179.6	0	113.1	D215 Q265	D215-K217 PolarHBondContact O-N 2.82Å; K217-Q265 WeakPolarHBondContact O-CG 3.21Å; K217-Q265 PolarHBondContact O-NE2 3.05Å
218	R	98.8	Very high	97.9	Very high	15 Å²	15	39.6 Å²	39.6	6%	0.057	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	42	179.2	-55.9	-167.2	-61.8	121.4	6.2	111.1	P178 G180 L181 D215 C216 Q265 M266 K269 P270	P178-R218 PolarHBondContact O-NH2 2.79Å; G180-R218 CarbonylContact C-O 3.56Å; G180-R218 WeakPolarHBondContact CA-O 3.21Å; L181-R218 PolarHBondContact N-O 2.93Å; D215-R218 HydrophobicContact CB-CB 4.35Å; D215-R218 HydrophobicContact CB-CG 4.5Å; D215-R218 CarbonylContact O-C 3.36Å; D215-R218 WeakPolarHBondContact O-CA 3.4Å; D215-R218 PolarHBondContact O-N 3.28Å; D215-R218 IonicContact OD2-CZ 2.62Å; D215-R218 IonicContact OD2-NE 2.75Å; D215-R218 PolarHBondContact OD2-NE 3.07Å; D215-R218 IonicContact OD2-NH2 3.66Å; C216-R218 VanDerWaalsContact C-N 3.26Å; C216-R218 PolarHBondContact O-N 2.86Å; R218-Q265 WeakPolarHBondContact CG-O 2.91Å; R218-M266 HydrophobicContact CB-SD 4.14Å; R218-M266 WeakPolarHBondContact CD-O 3.25Å; R218-M266 PolarHBondContact NH1-O 3.31Å; R218-M266 WeakPolarHBondContact O-CE 3.42Å; R218-M266 VanDerWaalsContact O-SD 3.35Å; R218-K269 VanDerWaalsContact CZ-CB 3.48Å; R218-P270 PolarHBondContact NH1-O 3.01Å; R218-P270 PolarHBondContact NH2-O 2.95Å
219	V	98.9	Very high	97.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.5	173	179.9	0	0	0	0	109	L181 L214 Q221 F242 R243 Q265	L181-V219 HydrophobicContact CB-CG1 4.21Å; L181-V219 HydrophobicContact CB-CG2 4.09Å; L181-V219 HydrophobicContact CD2-CG1 4.16Å; L181-V219 WeakPolarHBondContact O-CA 3.26Å; L214-V219 HydrophobicContact CB-CG2 4.27Å; L214-V219 HydrophobicContact CD1-CG2 4.31Å; V219-Q221 HydrophobicContact CG1-CG 4.32Å; V219-F242 HydrophobicContact CB-CB 4.36Å; V219-F242 HydrophobicContact CB-CD1 3.54Å; V219-F242 HydrophobicContact CB-CD2 4.47Å; V219-F242 HydrophobicContact CB-CE1 3.83Å; V219-F242 HydrophobicContact CB-CG 3.89Å; V219-F242 HydrophobicContact CB-CZ 4.39Å; V219-F242 HydrophobicContact CG1-CB 4.25Å; V219-F242 HydrophobicContact CG1-CD1 3.82Å; V219-F242 HydrophobicContact CG1-CD2 3.82Å; V219-F242 HydrophobicContact CG1-CE1 4.02Å; V219-F242 HydrophobicContact CG1-CE2 4.01Å; V219-F242 HydrophobicContact CG1-CG 3.71Å; V219-F242 HydrophobicContact CG1-CZ 4.1Å; V219-F242 HydrophobicContact CG2-CD1 3.9Å; V219-F242 HydrophobicContact CG2-CE1 3.68Å; V219-F242 HydrophobicContact CG2-CZ 4.23Å; V219-R243 PolarHBondContact O-N 2.8Å; V219-Q265 PolarHBondContact O-NE2 3.08Å; V219-Q265 VanDerWaalsContact O-NE2 3.1Å
220	A	98.9	Very high	97	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.1	172.4	0	0	0	0	0	109.4	L181 L182 H183 R243 V262 M266	L181-A220 PolarHBondContact O-N 2.8Å; L182-A220 HydrophobicContact CD1-CB 4.4Å; H183-A220 PolarHBondContact N-O 2.9Å; A220-R243 CarbonylContact C-O 3.54Å; A220-R243 WeakPolarHBondContact CA-O 3.31Å; A220-R243 HydrophobicContact CB-CB 4.35Å; A220-V262 HydrophobicContact CB-CG1 4.24Å; A220-V262 HydrophobicContact CB-CG2 4.25Å; A220-M266 HydrophobicContact CB-CE 3.85Å
221	Q	98.9	Very high	96.6	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.4	175.1	-56.3	-173.5	-72.4	0	0	108.6	H183 T188 V219 I224 N237 R243 V245	H183-Q221 HydrophobicContact CB-CB 4.49Å; H183-Q221 HydrophobicContact CB-CG 4.07Å; H183-Q221 PolarHBondContact ND1-NE2 2.88Å; H183-Q221 VanDerWaalsContact ND1-NE2 3.19Å; H183-Q221 CarbonylContact O-C 3.16Å; H183-Q221 VanDerWaalsContact O-CA 3.24Å; H183-Q221 WeakPolarHBondContact O-CA 3.14Å; T188-Q221 PolarHBondContact O-NE2 2.95Å; V219-Q221 HydrophobicContact CG1-CG 4.32Å; Q221-I224 HydrophobicContact CB-CD1 4.05Å; Q221-I224 HydrophobicContact CB-CG1 4.03Å; Q221-N237 PolarHBondContact OE1-OD1 3.5Å; Q221-N237 VanDerWaalsContact OE1-OD1 3.05Å; Q221-R243 PolarHBondContact N-O 2.78Å; Q221-V245 PolarHBondContact O-N 2.66Å
222	I	98.9	Very high	96.3	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129.4	-170.8	-51	177.4	0	0	0	110.4	L182 H183 V184 D185 V245 L258 M259 V262 I304	L182-I222 HydrophobicContact CD1-CD1 3.69Å; L182-I222 HydrophobicContact CD1-CG1 4.41Å; H183-I222 PolarHBondContact O-N 2.83Å; V184-I222 WeakPolarHBondContact CA-O 3.49Å; D185-I222 PolarHBondContact N-O 2.95Å; I222-V245 HydrophobicContact CB-CB 4.47Å; I222-V245 HydrophobicContact CG1-CB 4.29Å; I222-V245 HydrophobicContact CG1-CG2 4.31Å; I222-V245 HydrophobicContact CG2-CB 4.34Å; I222-V245 HydrophobicContact CG2-CG1 4.34Å; I222-L258 HydrophobicContact CD1-CD2 4.23Å; I222-L258 HydrophobicContact CG2-CD2 4.16Å; I222-M259 HydrophobicContact CD1-SD 4.32Å; I222-V262 HydrophobicContact CD1-CG2 4.33Å; I222-I304 HydrophobicContact CG2-CD1 3.92Å
223	G	98.7	Very high	96.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	104.4	5.4	179.4	0	0	0	0	0	114.2	D185 R225 V245	D185-G223 CarbonylContact O-C 3.36Å; D185-G223 WeakPolarHBondContact O-CA 3.06Å; G223-R225 PolarHBondContact O-N 3.1Å; G223-R225 PolarHBondContact O-NH1 3.31Å; G223-V245 PolarHBondContact N-O 3.28Å; G223-V245 VanDerWaalsContact N-O 3.12Å
224	I	98.8	Very high	96	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	126.8	-172.8	-54	-60.2	0	0	0	110.8	D185 A186 H187 T188 Q221 Y234 V244 V245 L246 A247	D185-I224 PolarHBondContact O-N 3.1Å; A186-I224 CarbonylContact O-C 3.53Å; A186-I224 WeakPolarHBondContact O-CA 3.47Å; H187-I224 WeakPolarHBondContact O-CD1 3.35Å; T188-I224 HydrophobicContact CG2-CD1 4.02Å; T188-I224 HydrophobicContact CG2-CG1 4.33Å; T188-I224 HydrophobicContact CG2-CG2 3.75Å; Q221-I224 HydrophobicContact CB-CD1 4.05Å; Q221-I224 HydrophobicContact CB-CG1 4.03Å; I224-Y234 HydrophobicContact CG2-CD1 4.02Å; I224-Y234 HydrophobicContact CG2-CE1 3.29Å; I224-V244 HydrophobicContact CB-CG1 4.31Å; I224-V244 HydrophobicContact CG1-CG1 4.04Å; I224-V244 HydrophobicContact CG2-CG1 4.39Å; I224-V245 PolarHBondContact N-O 3.47Å; I224-L246 HydrophobicContact CB-CD2 4.08Å; I224-L246 HydrophobicContact CG2-CD2 4.14Å; I224-L246 CarbonylContact O-C 3.59Å; I224-L246 VanDerWaalsContact O-CA 3.25Å; I224-L246 WeakPolarHBondContact O-CA 3.39Å; I224-A247 PolarHBondContact O-N 3.37Å
225	R	98.2	Very high	95.8	Very high	14 Å²	14	61.2 Å²	61.2	5%	0.053	31%	0.313	C	S	.	.			trans	-158.7	-168.6	-177.4	66.3	-172.4	-176.7	-74.6	-0.4	111.5	A186 G223 A247 D278 A279 L280 E292 I293	A186-R225 HydrophobicContact CB-CG 4.36Å; A186-R225 VanDerWaalsContact CB-NH1 3.3Å; A186-R225 PolarHBondContact O-N 3.4Å; G223-R225 PolarHBondContact O-N 3.1Å; G223-R225 PolarHBondContact O-NH1 3.31Å; R225-A247 HydrophobicContact CB-CB 3.79Å; R225-A247 HydrophobicContact CG-CB 4.26Å; R225-D278 PolarHBondContact NH2-O 3.05Å; R225-A279 PolarHBondContact NH1-O 2.75Å; R225-A279 VanDerWaalsContact NH1-O 3.12Å; R225-L280 PolarHBondContact NH2-O 3.2Å; R225-E292 HydrophobicContact CG-CB 4.02Å; R225-E292 PolarHBondContact NE-O 3.12Å; R225-E292 PolarHBondContact NH2-O 3.27Å; R225-I293 WeakPolarHBondContact CD-O 3.38Å; R225-I293 PolarHBondContact NE-O 2.98Å
226	G	94.5	Very high	95.8	Very high	35 Å²	35	61.5 Å²	61.5	36%	0.361	31%	0.311	S	S	.	.	S	Bend	trans	93.1	-172.3	176.7	0	0	0	0	0	113.1
227	Y	91.3	Very high	95.8	Very high	206 Å²	206	60.2 Å²	60.2	81%	0.808	30%	0.303	S	S	*	.			trans	-93	151.3	-173.4	-53.4	-78.3	0	0	0	111.7
228	S	92.3	Very high	95.8	Very high	64 Å²	64	58.1 Å²	58.1	45%	0.448	29%	0.29	S	S	.	.			trans	-135.3	155.1	174.6	-175.1	0	0	0	0	111.6	T230 P233	S228-T230 WeakPolarHBondContact CB-O 3.4Å; S228-T230 PolarHBondContact O-N 2.75Å; S228-T230 PolarHBondContact OG-N 2.78Å; S228-T230 VanDerWaalsContact OG-N 3.17Å; S228-T230 PolarHBondContact OG-O 2.99Å; S228-P233 WeakPolarHBondContact OG-CB 3.37Å
229	T	88.4	Confident	95.7	Very high	145 Å²	145	61.2 Å²	61.2	89%	0.89	31%	0.314	S	S	*	.	S	Bend	trans	-76.9	-5	169.9	55.5	0	0	0	0	112.9
230	T	91.7	Very high	95.7	Very high	77 Å²	77	64.2 Å²	64.2	47%	0.472	33%	0.328	S	S	.	.	S	Bend	trans	-133.7	159.5	177.6	78.1	0	0	0	0	111	S228	S228-T230 WeakPolarHBondContact CB-O 3.4Å; S228-T230 PolarHBondContact O-N 2.75Å; S228-T230 PolarHBondContact OG-N 2.78Å; S228-T230 VanDerWaalsContact OG-N 3.17Å; S228-T230 PolarHBondContact OG-O 2.99Å
231	L	90.3	Very high	95.7	Very high	187 Å²	187	65.9 Å²	65.9	98%	0.979	35%	0.346	S	S	*	.	S	Bend	trans	-79.5	-15.2	176.4	-67.4	177.3	0	0	0	113.9	P233	L231-P233 VanDerWaalsContact C-CD 3.43Å
232	D	91.8	Very high	95.7	Very high	58 Å²	58	66.4 Å²	66.4	31%	0.31	35%	0.348	S	S	.	.			trans	-130.9	63.1	178.7	-174.5	22.3	0	0	0	110.7	Y234 R235 R238	D232-Y234 PolarHBondContact O-N 2.9Å; D232-Y234 VanDerWaalsContact O-N 3.11Å; D232-R235 PolarHBondContact O-N 3.47Å; D232-R235 PolarHBondContact OD1-N 3.43Å; D232-R235 WeakPolarHBondContact OD2-CB 3.25Å; D232-R235 IonicContact OD2-NE 3.46Å; D232-R235 PolarHBondContact OD2-NE 2.94Å; D232-R235 IonicContact OD2-NH2 2.74Å; D232-R238 IonicContact OD1-NH1 3.12Å; D232-R238 PolarHBondContact OD1-NH1 2.98Å
233	P	94.3	Very high	95.7	Very high	43 Å²	43	69.8 Å²	69.8	28%	0.279	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.2	179.6	20.6	-29.8	0	0	0	113.3	S228 L231	S228-P233 WeakPolarHBondContact OG-CB 3.37Å; L231-P233 VanDerWaalsContact C-CD 3.43Å
234	Y	95.9	Very high	95.7	Very high	36 Å²	36	70.7 Å²	70.7	14%	0.141	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	1.8	-172.5	-41.1	-54.4	0	0	0	113.1	T188 I224 D232 Y236 N237 R238 V244 L246	T188-Y234 HydrophobicContact CG2-CD1 3.76Å; T188-Y234 HydrophobicContact CG2-CE1 4.08Å; I224-Y234 HydrophobicContact CG2-CD1 4.02Å; I224-Y234 HydrophobicContact CG2-CE1 3.29Å; D232-Y234 PolarHBondContact O-N 2.9Å; D232-Y234 VanDerWaalsContact O-N 3.11Å; Y234-Y236 VanDerWaalsContact C-N 3.29Å; Y234-Y236 PolarHBondContact O-N 3.28Å; Y234-N237 WeakPolarHBondContact O-CB 3.27Å; Y234-N237 PolarHBondContact O-N 3.49Å; Y234-R238 WeakPolarHBondContact O-CG 3.5Å; Y234-R238 PolarHBondContact O-N 3.33Å; Y234-V244 HydrophobicContact CD1-CG1 4.24Å; Y234-V244 HydrophobicContact CG-CG1 4.13Å; Y234-L246 HydrophobicContact CD2-CD2 3.97Å; Y234-L246 HydrophobicContact CE1-CD2 4.37Å; Y234-L246 HydrophobicContact CE2-CD1 4.22Å; Y234-L246 HydrophobicContact CE2-CD2 3.44Å; Y234-L246 VanDerWaalsContact CE2-CD2 3.44Å; Y234-L246 HydrophobicContact CE2-CG 4.49Å
235	R	96.6	Very high	95.7	Very high	175 Å²	175	71 Å²	71	66%	0.66	37%	0.368	S	S	*	.	H	α-helix	trans	-51.7	-47.4	-179.4	-177.6	176.3	-79	-165.3	-7.7	112.4	D232 R238 S239	D232-R235 PolarHBondContact O-N 3.47Å; D232-R235 PolarHBondContact OD1-N 3.43Å; D232-R235 WeakPolarHBondContact OD2-CB 3.25Å; D232-R235 IonicContact OD2-NE 3.46Å; D232-R235 PolarHBondContact OD2-NE 2.94Å; D232-R235 IonicContact OD2-NH2 2.74Å; R235-R238 PolarHBondContact O-N 3.26Å; R235-S239 WeakPolarHBondContact O-CB 3.23Å; R235-S239 PolarHBondContact O-N 3.44Å; R235-S239 PolarHBondContact O-OG 3.04Å
236	Y	97.6	Very high	95.7	Very high	43 Å²	43	72 Å²	72	17%	0.169	38%	0.375	C	S	.	.	H	α-helix	trans	-59.6	-53.7	-179.2	174.8	-105.2	0	0	0	110.9	T190 R206 V209 Y234 R238 S239 Q240	T190-Y236 HydrophobicContact CG2-CD1 4.49Å; T190-Y236 HydrophobicContact CG2-CE1 4.32Å; R206-Y236 WeakPolarHBondContact CD-OH 3.42Å; R206-Y236 PolarHBondContact NE-OH 2.83Å; R206-Y236 VanDerWaalsContact NE-OH 3.14Å; V209-Y236 WeakPolarHBondContact CG1-OH 3.24Å; Y234-Y236 VanDerWaalsContact C-N 3.29Å; Y234-Y236 PolarHBondContact O-N 3.28Å; Y236-R238 PolarHBondContact O-N 2.94Å; Y236-S239 WeakPolarHBondContact O-CB 3.4Å; Y236-S239 PolarHBondContact O-N 3.49Å; Y236-S239 PolarHBondContact O-OG 3.41Å; Y236-Q240 HydrophobicContact CD2-CG 4.4Å; Y236-Q240 HydrophobicContact CE1-CG 3.94Å; Y236-Q240 HydrophobicContact CE2-CG 3.79Å; Y236-Q240 VanDerWaalsContact CE2-NE2 3.3Å; Y236-Q240 PolarHBondContact O-N 3.24Å; Y236-Q240 VanDerWaalsContact O-N 3.1Å
237	N	98.4	Very high	95.9	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-50.9	-52.4	177.9	-63.3	-76.8	0	0	0	112	T190 Q221 Y234 S239 Q240 G241 F242 V244	T190-N237 WeakPolarHBondContact CB-OD1 3.28Å; T190-N237 WeakPolarHBondContact CG2-OD1 3.44Å; T190-N237 PolarHBondContact OG1-ND2 2.66Å; T190-N237 PolarHBondContact OG1-OD1 2.92Å; Q221-N237 PolarHBondContact OE1-OD1 3.5Å; Q221-N237 VanDerWaalsContact OE1-OD1 3.05Å; Y234-N237 WeakPolarHBondContact O-CB 3.27Å; Y234-N237 PolarHBondContact O-N 3.49Å; N237-S239 VanDerWaalsContact C-N 3.32Å; N237-S239 PolarHBondContact O-N 2.97Å; N237-Q240 PolarHBondContact O-N 2.62Å; N237-G241 PolarHBondContact O-N 3.28Å; N237-F242 HydrophobicContact CB-CB 4.23Å; N237-F242 HydrophobicContact CB-CD2 3.9Å; N237-F242 HydrophobicContact CB-CG 4.41Å; N237-F242 VanDerWaalsContact O-CB 3.3Å; N237-F242 WeakPolarHBondContact O-CB 3.4Å; N237-F242 WeakPolarHBondContact O-CG 3.36Å; N237-F242 PolarHBondContact O-N 3.44Å; N237-F242 WeakPolarHBondContact OD1-CD2 3.43Å; N237-V244 HydrophobicContact CB-CG2 3.61Å
238	R	98.1	Very high	96.2	Very high	120 Å²	120	65.1 Å²	65.1	45%	0.453	34%	0.34	S	S	.	.	H	α-helix	trans	-62.7	-37.4	178.9	-67.1	172.6	-178.8	144.7	-3.1	112.3	D232 Y234 R235 Y236 Q240 G241 V244	D232-R238 IonicContact OD1-NH1 3.12Å; D232-R238 PolarHBondContact OD1-NH1 2.98Å; Y234-R238 WeakPolarHBondContact O-CG 3.5Å; Y234-R238 PolarHBondContact O-N 3.33Å; R235-R238 PolarHBondContact O-N 3.26Å; Y236-R238 PolarHBondContact O-N 2.94Å; R238-Q240 VanDerWaalsContact C-N 3.28Å; R238-Q240 PolarHBondContact O-N 3.36Å; R238-G241 PolarHBondContact O-N 3.04Å; R238-V244 HydrophobicContact CG-CG2 4.36Å
239	S	98.1	Very high	96.5	Very high	80 Å²	80	65.9 Å²	65.9	56%	0.559	34%	0.339	S	S	*	.	H	α-helix	trans	-66.2	-27.9	177.6	76.3	0	0	0	0	113.5	R235 Y236 N237 G241	R235-S239 WeakPolarHBondContact O-CB 3.23Å; R235-S239 PolarHBondContact O-N 3.44Å; R235-S239 PolarHBondContact O-OG 3.04Å; Y236-S239 WeakPolarHBondContact O-CB 3.4Å; Y236-S239 PolarHBondContact O-N 3.49Å; Y236-S239 PolarHBondContact O-OG 3.41Å; N237-S239 VanDerWaalsContact C-N 3.32Å; N237-S239 PolarHBondContact O-N 2.97Å; S239-G241 VanDerWaalsContact C-N 3.27Å
240	Q	98.5	Very high	97	Very high	63 Å²	63	59 Å²	59	29%	0.294	30%	0.297	S	S	.	.	H	α-helix	trans	-77.2	-15.3	172.4	-59.5	-50	-55.1	0	0	112.4	V209 C216 Y236 N237 R238 F242	V209-Q240 HydrophobicContact CG1-CG 4.17Å; C216-Q240 HydrophobicContact CB-CB 4.46Å; C216-Q240 WeakPolarHBondContact CB-O 3.46Å; Y236-Q240 HydrophobicContact CD2-CG 4.4Å; Y236-Q240 HydrophobicContact CE1-CG 3.94Å; Y236-Q240 HydrophobicContact CE2-CG 3.79Å; Y236-Q240 VanDerWaalsContact CE2-NE2 3.3Å; Y236-Q240 PolarHBondContact O-N 3.24Å; Y236-Q240 VanDerWaalsContact O-N 3.1Å; N237-Q240 PolarHBondContact O-N 2.62Å; R238-Q240 VanDerWaalsContact C-N 3.28Å; R238-Q240 PolarHBondContact O-N 3.36Å; Q240-F242 HydrophobicContact CB-CD1 3.94Å; Q240-F242 HydrophobicContact CB-CE1 3.84Å; Q240-F242 HydrophobicContact CB-CZ 4.38Å
241	G	98.2	Very high	97.3	Very high	36 Å²	36	60.9 Å²	60.9	37%	0.371	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.5	12.7	-176.7	0	0	0	0	0	114.2	C216 N237 R238 S239	C216-G241 CarbonylContact O-C 3.58Å; N237-G241 PolarHBondContact O-N 3.28Å; R238-G241 PolarHBondContact O-N 3.04Å; S239-G241 VanDerWaalsContact C-N 3.27Å
242	F	98.8	Very high	97.6	Very high	10 Å²	10	61.1 Å²	61.1	4%	0.044	29%	0.294	C	S	.	.			trans	-70.5	143.7	178.6	-62.3	0.9	0	0	0	110.6	T190 V209 L214 C216 V219 N237 Q240 V244	T190-F242 HydrophobicContact CG2-CE2 3.98Å; V209-F242 HydrophobicContact CG2-CE1 4.07Å; V209-F242 HydrophobicContact CG2-CE2 4.45Å; V209-F242 HydrophobicContact CG2-CZ 3.46Å; V209-F242 VanDerWaalsContact CG2-CZ 3.46Å; L214-F242 HydrophobicContact CD1-CZ 4.34Å; C216-F242 HydrophobicContact CB-CD1 4.29Å; C216-F242 HydrophobicContact CB-CE1 3.85Å; C216-F242 WeakPolarHBondContact O-CD1 3.39Å; V219-F242 HydrophobicContact CB-CB 4.36Å; V219-F242 HydrophobicContact CB-CD1 3.54Å; V219-F242 HydrophobicContact CB-CD2 4.47Å; V219-F242 HydrophobicContact CB-CE1 3.83Å; V219-F242 HydrophobicContact CB-CG 3.89Å; V219-F242 HydrophobicContact CB-CZ 4.39Å; V219-F242 HydrophobicContact CG1-CB 4.25Å; V219-F242 HydrophobicContact CG1-CD1 3.82Å; V219-F242 HydrophobicContact CG1-CD2 3.82Å; V219-F242 HydrophobicContact CG1-CE1 4.02Å; V219-F242 HydrophobicContact CG1-CE2 4.01Å; V219-F242 HydrophobicContact CG1-CG 3.71Å; V219-F242 HydrophobicContact CG1-CZ 4.1Å; V219-F242 HydrophobicContact CG2-CD1 3.9Å; V219-F242 HydrophobicContact CG2-CE1 3.68Å; V219-F242 HydrophobicContact CG2-CZ 4.23Å; N237-F242 HydrophobicContact CB-CB 4.23Å; N237-F242 HydrophobicContact CB-CD2 3.9Å; N237-F242 HydrophobicContact CB-CG 4.41Å; N237-F242 VanDerWaalsContact O-CB 3.3Å; N237-F242 WeakPolarHBondContact O-CB 3.4Å; N237-F242 WeakPolarHBondContact O-CG 3.36Å; N237-F242 PolarHBondContact O-N 3.44Å; N237-F242 WeakPolarHBondContact OD1-CD2 3.43Å; Q240-F242 HydrophobicContact CB-CD1 3.94Å; Q240-F242 HydrophobicContact CB-CE1 3.84Å; Q240-F242 HydrophobicContact CB-CZ 4.38Å; F242-V244 HydrophobicContact CB-CG2 4.44Å
243	R	98.8	Very high	97.9	Very high	71 Å²	71	64 Å²	64	27%	0.268	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	114.4	163.3	-179.8	-178.1	-178.6	143.8	10.8	108.4	V219 A220 Q221 V245 L258 E261	V219-R243 PolarHBondContact O-N 2.8Å; A220-R243 CarbonylContact C-O 3.54Å; A220-R243 WeakPolarHBondContact CA-O 3.31Å; A220-R243 HydrophobicContact CB-CB 4.35Å; Q221-R243 PolarHBondContact N-O 2.78Å; R243-V245 HydrophobicContact CG-CG2 4.02Å; R243-L258 VanDerWaalsContact CZ-CD1 3.44Å; R243-E261 IonicContact CZ-OE2 3.63Å; R243-E261 IonicContact NH1-OE2 3.19Å; R243-E261 PolarHBondContact NH1-OE2 3.25Å; R243-E261 IonicContact NH2-OE2 3.89Å; R243-E261 PolarHBondContact NH2-OE2 3.43Å
244	V	98.7	Very high	98.1	Very high	19 Å²	19	64.7 Å²	64.7	12%	0.115	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116.6	176.1	-175	0	0	0	0	108.4	I224 Y234 N237 R238 F242 L246	I224-V244 HydrophobicContact CB-CG1 4.31Å; I224-V244 HydrophobicContact CG1-CG1 4.04Å; I224-V244 HydrophobicContact CG2-CG1 4.39Å; Y234-V244 HydrophobicContact CD1-CG1 4.24Å; Y234-V244 HydrophobicContact CG-CG1 4.13Å; N237-V244 HydrophobicContact CB-CG2 3.61Å; R238-V244 HydrophobicContact CG-CG2 4.36Å; F242-V244 HydrophobicContact CB-CG2 4.44Å; V244-L246 HydrophobicContact CG1-CD2 4.03Å
245	V	98.8	Very high	98.2	Very high	9 Å²	9	63 Å²	63	6%	0.055	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.2	178.9	-175.8	0	0	0	0	108.5	Q221 I222 G223 I224 R243 D249 L258	Q221-V245 PolarHBondContact O-N 2.66Å; I222-V245 HydrophobicContact CB-CB 4.47Å; I222-V245 HydrophobicContact CG1-CB 4.29Å; I222-V245 HydrophobicContact CG1-CG2 4.31Å; I222-V245 HydrophobicContact CG2-CB 4.34Å; I222-V245 HydrophobicContact CG2-CG1 4.34Å; G223-V245 PolarHBondContact N-O 3.28Å; G223-V245 VanDerWaalsContact N-O 3.12Å; I224-V245 PolarHBondContact N-O 3.47Å; R243-V245 HydrophobicContact CG-CG2 4.02Å; V245-D249 HydrophobicContact CG1-CB 3.94Å; V245-L258 HydrophobicContact CG1-CD2 3.94Å; V245-L258 HydrophobicContact CG2-CD1 4.02Å; V245-L258 HydrophobicContact CG2-CD2 4.5Å
246	L	98.6	Very high	98.3	Very high	35 Å²	35	58.7 Å²	58.7	18%	0.183	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	158.9	-176.7	-52.3	-176.9	0	0	0	110.9	I224 Y234 V244 E248 D249	I224-L246 HydrophobicContact CB-CD2 4.08Å; I224-L246 HydrophobicContact CG2-CD2 4.14Å; I224-L246 CarbonylContact O-C 3.59Å; I224-L246 VanDerWaalsContact O-CA 3.25Å; I224-L246 WeakPolarHBondContact O-CA 3.39Å; Y234-L246 HydrophobicContact CD2-CD2 3.97Å; Y234-L246 HydrophobicContact CE1-CD2 4.37Å; Y234-L246 HydrophobicContact CE2-CD1 4.22Å; Y234-L246 HydrophobicContact CE2-CD2 3.44Å; Y234-L246 VanDerWaalsContact CE2-CD2 3.44Å; Y234-L246 HydrophobicContact CE2-CG 4.49Å; V244-L246 HydrophobicContact CG1-CD2 4.03Å; L246-E248 WeakPolarHBondContact CB-OE2 3.48Å; L246-E248 PolarHBondContact O-N 3.43Å; L246-D249 PolarHBondContact N-OD2 3.27Å; L246-D249 VanDerWaalsContact N-OD2 3.13Å; L246-D249 WeakPolarHBondContact O-CB 3.29Å; L246-D249 PolarHBondContact O-N 3.4Å; L246-D249 VanDerWaalsContact O-N 3.1Å
247	A	98.5	Very high	98.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.314	C	S	.	.	S	Bend	trans	-61.3	-35.2	174.9	0	0	0	0	0	111.8	I224 R225 D249 C250 W251	I224-A247 PolarHBondContact O-N 3.37Å; R225-A247 HydrophobicContact CB-CB 3.79Å; R225-A247 HydrophobicContact CG-CB 4.26Å; A247-D249 PolarHBondContact O-N 2.99Å; A247-C250 CarbonylContact O-C 3.57Å; A247-C250 WeakPolarHBondContact O-CA 3.49Å; A247-C250 VanDerWaalsContact O-CB 3.28Å; A247-C250 WeakPolarHBondContact O-CB 3.41Å; A247-C250 PolarHBondContact O-N 3.15Å; A247-W251 PolarHBondContact O-N 3.29Å; A247-W251 VanDerWaalsContact O-N 3.1Å; A247-W251 PolarHBondContact O-NE1 3.14Å
248	E	97.9	Very high	98.4	Very high	95 Å²	95	61.7 Å²	61.7	44%	0.444	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-35.2	174.5	-65.7	78	-178.5	0	0	111.8	L246 C250 W251	L246-E248 WeakPolarHBondContact CB-OE2 3.48Å; L246-E248 PolarHBondContact O-N 3.43Å; E248-C250 PolarHBondContact O-N 3.48Å; E248-W251 HydrophobicContact CB-CE3 4.42Å; E248-W251 HydrophobicContact CB-CZ3 4.45Å; E248-W251 HydrophobicContact CG-CE3 4.23Å; E248-W251 HydrophobicContact CG-CH2 3.7Å; E248-W251 HydrophobicContact CG-CZ2 4.06Å; E248-W251 HydrophobicContact CG-CZ3 3.79Å
249	D	98.3	Very high	98.4	Very high	80 Å²	80	56.1 Å²	56.1	43%	0.428	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-7.6	174.5	-62.8	-45.4	0	0	0	112.3	V245 L246 A247 K253	V245-D249 HydrophobicContact CG1-CB 3.94Å; L246-D249 PolarHBondContact N-OD2 3.27Å; L246-D249 VanDerWaalsContact N-OD2 3.13Å; L246-D249 WeakPolarHBondContact O-CB 3.29Å; L246-D249 PolarHBondContact O-N 3.4Å; L246-D249 VanDerWaalsContact O-N 3.1Å; A247-D249 PolarHBondContact O-N 2.99Å; D249-K253 WeakPolarHBondContact O-CE 3.29Å; D249-K253 PolarHBondContact O-NZ 3.2Å
250	C	98.6	Very high	98.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-20	-178.9	-64.7	0	0	0	0	112.8	A247 E248 M252 L255 L296 Q300	A247-C250 CarbonylContact O-C 3.57Å; A247-C250 WeakPolarHBondContact O-CA 3.49Å; A247-C250 VanDerWaalsContact O-CB 3.28Å; A247-C250 WeakPolarHBondContact O-CB 3.41Å; A247-C250 PolarHBondContact O-N 3.15Å; E248-C250 PolarHBondContact O-N 3.48Å; C250-M252 PolarHBondContact O-N 3.43Å; C250-L255 HydrophobicContact CB-CD1 4.46Å; C250-L255 HydrophobicContact CB-CD2 3.84Å; C250-L296 HydrophobicContact CB-CD2 3.65Å; C250-Q300 PolarHBondContact O-NE2 3.23Å
251	W	98.4	Very high	98.5	Very high	117 Å²	117	56.5 Å²	56.5	44%	0.443	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	138.3	-172.4	-68.5	-15.2	0	0	0	113.5	A247 E248 K253 A294	A247-W251 PolarHBondContact O-N 3.29Å; A247-W251 VanDerWaalsContact O-N 3.1Å; A247-W251 PolarHBondContact O-NE1 3.14Å; E248-W251 HydrophobicContact CB-CE3 4.42Å; E248-W251 HydrophobicContact CB-CZ3 4.45Å; E248-W251 HydrophobicContact CG-CE3 4.23Å; E248-W251 HydrophobicContact CG-CH2 3.7Å; E248-W251 HydrophobicContact CG-CZ2 4.06Å; E248-W251 HydrophobicContact CG-CZ3 3.79Å; W251-K253 PolarHBondContact O-N 2.98Å; W251-K253 VanDerWaalsContact O-N 3.15Å; W251-A294 HydrophobicContact CZ2-CB 3.76Å; W251-A294 PolarHBondContact NE1-O 3.08Å
252	M	96.8	Very high	98.5	Very high	193 Å²	193	54.8 Å²	54.8	95%	0.951	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	24.9	171.8	-52.4	-54.9	-66.3	0	0	115.6	C250	C250-M252 PolarHBondContact O-N 3.43Å
253	K	97.9	Very high	98.5	Very high	118 Å²	118	59.8 Å²	59.8	51%	0.513	30%	0.302	S	S	.	.	S	Bend	trans	-148.5	163.2	176.6	67.2	-173.7	179.9	-170.5	0	113.7	D249 W251 Q300	D249-K253 WeakPolarHBondContact O-CE 3.29Å; D249-K253 PolarHBondContact O-NZ 3.2Å; W251-K253 PolarHBondContact O-N 2.98Å; W251-K253 VanDerWaalsContact O-N 3.15Å; K253-Q300 PolarHBondContact O-NE2 3.45Å
254	S	98.6	Very high	98.5	Very high	57 Å²	57	64.3 Å²	64.3	40%	0.399	33%	0.326	S	S	.	.			trans	-71.2	143.2	172.3	176.1	0	0	0	0	111.3	V256 E303	S254-V256 WeakPolarHBondContact OG-CG2 3.48Å; S254-V256 PolarHBondContact OG-N 3.32Å; S254-E303 WeakPolarHBondContact CA-OE2 3.46Å; S254-E303 WeakPolarHBondContact CB-OE1 3.38Å; S254-E303 VanDerWaalsContact OG-CD 3.32Å; S254-E303 PolarHBondContact OG-OE1 3.37Å
255	L	98.8	Very high	98.5	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.005	33%	0.331	C	S	.	.	S	Bend	trans	-96.6	2.7	176.8	-55.7	-170.8	0	0	0	113.3	C250 L258 M259 L296 Q300 E303 I304	C250-L255 HydrophobicContact CB-CD1 4.46Å; C250-L255 HydrophobicContact CB-CD2 3.84Å; L255-L258 HydrophobicContact CD2-CD2 4.25Å; L255-L258 WeakPolarHBondContact O-CB 3.13Å; L255-L258 PolarHBondContact O-N 3.23Å; L255-L258 VanDerWaalsContact O-N 3.16Å; L255-M259 PolarHBondContact O-N 3.11Å; L255-L296 HydrophobicContact CD1-CD2 4.4Å; L255-Q300 HydrophobicContact CD1-CB 3.75Å; L255-Q300 HydrophobicContact CD1-CG 4.12Å; L255-Q300 HydrophobicContact CG-CB 4.18Å; L255-Q300 HydrophobicContact CG-CG 4.06Å; L255-E303 HydrophobicContact CB-CB 4.37Å; L255-E303 PolarHBondContact N-OE2 2.93Å; L255-I304 HydrophobicContact CD1-CD1 3.66Å; L255-I304 HydrophobicContact CD1-CG1 3.85Å
256	V	98.8	Very high	98.5	Very high	84 Å²	84	65.4 Å²	65.4	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-55.6	-45	176.2	173.5	0	0	0	0	112.6	S254 L258 M259 A260 E303	S254-V256 WeakPolarHBondContact OG-CG2 3.48Å; S254-V256 PolarHBondContact OG-N 3.32Å; V256-L258 PolarHBondContact O-N 2.91Å; V256-M259 PolarHBondContact O-N 3.04Å; V256-A260 PolarHBondContact O-N 2.85Å; V256-A260 VanDerWaalsContact O-N 3.11Å; V256-E303 HydrophobicContact CG2-CB 4.36Å; V256-E303 HydrophobicContact CG2-CG 4.05Å
257	P	98.8	Very high	98.4	Very high	85 Å²	85	65.4 Å²	65.4	55%	0.552	34%	0.337	S	S	*	.	H	α-helix	trans	-63	-41	175.9	-23.2	35.3	0	0	0	112.9	M259 A260 E261	P257-M259 VanDerWaalsContact C-N 3.31Å; P257-M259 PolarHBondContact O-N 3.47Å; P257-A260 WeakPolarHBondContact O-CB 3.5Å; P257-A260 PolarHBondContact O-N 3.29Å; P257-E261 PolarHBondContact O-N 3.18Å
258	L	98.8	Very high	98.3	Very high	22 Å²	22	68.8 Å²	68.8	12%	0.115	37%	0.372	C	S	.	.	H	α-helix	trans	-58.5	-45.5	175.1	167.8	63.7	0	0	0	110.7	I222 R243 V245 L255 V256 A260 E261 V262	I222-L258 HydrophobicContact CD1-CD2 4.23Å; I222-L258 HydrophobicContact CG2-CD2 4.16Å; R243-L258 VanDerWaalsContact CZ-CD1 3.44Å; V245-L258 HydrophobicContact CG1-CD2 3.94Å; V245-L258 HydrophobicContact CG2-CD1 4.02Å; V245-L258 HydrophobicContact CG2-CD2 4.5Å; L255-L258 HydrophobicContact CD2-CD2 4.25Å; L255-L258 WeakPolarHBondContact O-CB 3.13Å; L255-L258 PolarHBondContact O-N 3.23Å; L255-L258 VanDerWaalsContact O-N 3.16Å; V256-L258 PolarHBondContact O-N 2.91Å; L258-A260 VanDerWaalsContact C-N 3.28Å; L258-A260 PolarHBondContact O-N 3.05Å; L258-E261 WeakPolarHBondContact O-CB 3.47Å; L258-E261 PolarHBondContact O-N 3.45Å; L258-E261 VanDerWaalsContact O-N 3.13Å; L258-V262 HydrophobicContact CD1-CG2 4.15Å; L258-V262 HydrophobicContact CG-CG2 4.38Å; L258-V262 WeakPolarHBondContact O-CG2 3.44Å; L258-V262 PolarHBondContact O-N 3.35Å
259	M	98.8	Very high	98.3	Very high	3 Å²	3	70 Å²	70	2%	0.015	38%	0.376	C	S	.	.	H	α-helix	trans	-66	-28.6	179.3	-74.8	-52.9	-57.9	0	0	113.3	L182 I222 L255 V256 P257 E261 V262 R263 I304	L182-M259 HydrophobicContact CD2-CE 4.27Å; I222-M259 HydrophobicContact CD1-SD 4.32Å; L255-M259 PolarHBondContact O-N 3.11Å; V256-M259 PolarHBondContact O-N 3.04Å; P257-M259 VanDerWaalsContact C-N 3.31Å; P257-M259 PolarHBondContact O-N 3.47Å; M259-E261 VanDerWaalsContact C-N 3.31Å; M259-E261 PolarHBondContact O-N 3.01Å; M259-V262 HydrophobicContact CE-CB 4.24Å; M259-V262 HydrophobicContact CE-CG1 4.05Å; M259-V262 PolarHBondContact O-N 3.06Å; M259-V262 HydrophobicContact SD-CB 4.21Å; M259-V262 HydrophobicContact SD-CG1 4.37Å; M259-V262 HydrophobicContact SD-CG2 4.35Å; M259-R263 WeakPolarHBondContact O-CB 3.42Å; M259-R263 WeakPolarHBondContact O-CG 3.2Å; M259-R263 PolarHBondContact O-N 3.21Å; M259-I304 VanDerWaalsContact CE-O 3.31Å; M259-I304 WeakPolarHBondContact CE-O 3.22Å; M259-I304 HydrophobicContact CG-CG1 4.5Å; M259-I304 HydrophobicContact SD-CB 4.23Å; M259-I304 HydrophobicContact SD-CG1 4.24Å; M259-I304 HydrophobicContact SD-CG2 3.95Å
260	A	98.7	Very high	98.4	Very high	55 Å²	55	67.4 Å²	67.4	46%	0.455	36%	0.364	S	S	.	.	H	α-helix	trans	-61.7	-41.3	172.2	0	0	0	0	0	111.8	V256 P257 L258 Q264	V256-A260 PolarHBondContact O-N 2.85Å; V256-A260 VanDerWaalsContact O-N 3.11Å; P257-A260 WeakPolarHBondContact O-CB 3.5Å; P257-A260 PolarHBondContact O-N 3.29Å; L258-A260 VanDerWaalsContact C-N 3.28Å; L258-A260 PolarHBondContact O-N 3.05Å; A260-Q264 PolarHBondContact O-N 2.9Å
261	E	98.7	Very high	98.4	Very high	96 Å²	96	67.5 Å²	67.5	45%	0.449	36%	0.364	S	S	.	.	H	α-helix	trans	-70.6	-42.3	176.3	-59.7	174	-166.1	0	0	111.9	R243 P257 L258 M259 R263 Q264 Q265	R243-E261 IonicContact CZ-OE2 3.63Å; R243-E261 IonicContact NH1-OE2 3.19Å; R243-E261 PolarHBondContact NH1-OE2 3.25Å; R243-E261 IonicContact NH2-OE2 3.89Å; R243-E261 PolarHBondContact NH2-OE2 3.43Å; P257-E261 PolarHBondContact O-N 3.18Å; L258-E261 WeakPolarHBondContact O-CB 3.47Å; L258-E261 PolarHBondContact O-N 3.45Å; L258-E261 VanDerWaalsContact O-N 3.13Å; M259-E261 VanDerWaalsContact C-N 3.31Å; M259-E261 PolarHBondContact O-N 3.01Å; E261-R263 VanDerWaalsContact C-N 3.31Å; E261-R263 PolarHBondContact O-N 3.31Å; E261-Q264 WeakPolarHBondContact O-CB 3.4Å; E261-Q264 PolarHBondContact O-N 3.23Å; E261-Q264 VanDerWaalsContact O-N 3.15Å; E261-Q265 PolarHBondContact O-N 3.03Å
262	V	98.7	Very high	98.4	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.006	34%	0.343	C	S	.	.	H	α-helix	trans	-59.3	-44.1	175.4	172.1	0	0	0	0	110.2	L182 A220 I222 L258 M259 Q264 Q265 M266	L182-V262 HydrophobicContact CD1-CG1 4.19Å; A220-V262 HydrophobicContact CB-CG1 4.24Å; A220-V262 HydrophobicContact CB-CG2 4.25Å; I222-V262 HydrophobicContact CD1-CG2 4.33Å; L258-V262 HydrophobicContact CD1-CG2 4.15Å; L258-V262 HydrophobicContact CG-CG2 4.38Å; L258-V262 WeakPolarHBondContact O-CG2 3.44Å; L258-V262 PolarHBondContact O-N 3.35Å; M259-V262 HydrophobicContact CE-CB 4.24Å; M259-V262 HydrophobicContact CE-CG1 4.05Å; M259-V262 PolarHBondContact O-N 3.06Å; M259-V262 HydrophobicContact SD-CB 4.21Å; M259-V262 HydrophobicContact SD-CG1 4.37Å; M259-V262 HydrophobicContact SD-CG2 4.35Å; V262-Q264 VanDerWaalsContact C-N 3.3Å; V262-Q264 PolarHBondContact O-N 3.08Å; V262-Q265 WeakPolarHBondContact O-CB 3.34Å; V262-Q265 PolarHBondContact O-N 3.07Å; V262-Q265 VanDerWaalsContact O-N 3.12Å; V262-M266 HydrophobicContact CG1-CE 4.02Å; V262-M266 HydrophobicContact CG1-CG 4.19Å; V262-M266 VanDerWaalsContact O-CG 3.29Å; V262-M266 WeakPolarHBondContact O-CG 3.13Å; V262-M266 PolarHBondContact O-N 3.27Å
263	R	98.7	Very high	98.5	Very high	115 Å²	115	52.8 Å²	52.8	43%	0.434	30%	0.298	S	S	.	.	H	α-helix	trans	-58	-41.8	174.9	-74.3	174.9	69.4	-98.7	-5.6	112.5	M259 E261 Q265 M266 G267 G307 L311	M259-R263 WeakPolarHBondContact O-CB 3.42Å; M259-R263 WeakPolarHBondContact O-CG 3.2Å; M259-R263 PolarHBondContact O-N 3.21Å; E261-R263 VanDerWaalsContact C-N 3.31Å; E261-R263 PolarHBondContact O-N 3.31Å; R263-Q265 VanDerWaalsContact C-N 3.34Å; R263-M266 PolarHBondContact O-N 3.15Å; R263-G267 PolarHBondContact O-N 3.07Å; R263-G307 WeakPolarHBondContact CD-O 3.49Å; R263-G307 VanDerWaalsContact CG-O 3.23Å; R263-G307 WeakPolarHBondContact CG-O 3.49Å; R263-L311 HydrophobicContact CB-CD2 4.27Å; R263-L311 HydrophobicContact CG-CD1 4.07Å; R263-L311 HydrophobicContact CG-CD2 4.16Å; R263-L311 HydrophobicContact CG-CG 4.31Å
264	Q	98.5	Very high	98.6	Very high	165 Å²	165	47.1 Å²	47.1	77%	0.771	27%	0.274	S	S	*	.	H	α-helix	trans	-63.1	-42.1	176.1	-174.7	-179.1	5.1	0	0	111.4	A260 E261 V262	A260-Q264 PolarHBondContact O-N 2.9Å; E261-Q264 WeakPolarHBondContact O-CB 3.4Å; E261-Q264 PolarHBondContact O-N 3.23Å; E261-Q264 VanDerWaalsContact O-N 3.15Å; V262-Q264 VanDerWaalsContact C-N 3.3Å; V262-Q264 PolarHBondContact O-N 3.08Å
265	Q	98.6	Very high	98.6	Very high	50 Å²	50	44.4 Å²	44.4	23%	0.234	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-42.1	175.9	-172.3	-172.9	-2.5	0	0	111.8	K217 R218 V219 E261 V262 R263	K217-Q265 WeakPolarHBondContact O-CG 3.21Å; K217-Q265 PolarHBondContact O-NE2 3.05Å; R218-Q265 WeakPolarHBondContact CG-O 2.91Å; V219-Q265 PolarHBondContact O-NE2 3.08Å; V219-Q265 VanDerWaalsContact O-NE2 3.1Å; E261-Q265 PolarHBondContact O-N 3.03Å; V262-Q265 WeakPolarHBondContact O-CB 3.34Å; V262-Q265 PolarHBondContact O-N 3.07Å; V262-Q265 VanDerWaalsContact O-N 3.12Å; R263-Q265 VanDerWaalsContact C-N 3.34Å
266	M	98.4	Very high	98.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-71	-37.6	-178.6	-67.2	-51.8	154	0	0	113.3	L181 R218 A220 V262 R263 I271 L311	L181-M266 WeakPolarHBondContact O-CE 3.26Å; R218-M266 HydrophobicContact CB-SD 4.14Å; R218-M266 WeakPolarHBondContact CD-O 3.25Å; R218-M266 PolarHBondContact NH1-O 3.31Å; R218-M266 WeakPolarHBondContact O-CE 3.42Å; R218-M266 VanDerWaalsContact O-SD 3.35Å; A220-M266 HydrophobicContact CB-CE 3.85Å; V262-M266 HydrophobicContact CG1-CE 4.02Å; V262-M266 HydrophobicContact CG1-CG 4.19Å; V262-M266 VanDerWaalsContact O-CG 3.29Å; V262-M266 WeakPolarHBondContact O-CG 3.13Å; V262-M266 PolarHBondContact O-N 3.27Å; R263-M266 PolarHBondContact O-N 3.15Å; M266-I271 HydrophobicContact CB-CG2 3.86Å; M266-I271 HydrophobicContact CG-CG2 4.01Å; M266-I271 HydrophobicContact SD-CG2 3.79Å; M266-L311 HydrophobicContact CB-CD1 4.21Å; M266-L311 HydrophobicContact CG-CD1 4.4Å
267	G	97.2	Very high	98.6	Very high	35 Å²	35	40.4 Å²	40.4	36%	0.361	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	-154.7	-178.1	0	0	0	0	0	113.3	R263	R263-G267 PolarHBondContact O-N 3.07Å
268	G	97.1	Very high	98.6	Very high	71 Å²	71	36.4 Å²	36.4	73%	0.732	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	6	179.9	0	0	0	0	0	115.3
269	K	98.4	Very high	98.6	Very high	120 Å²	120	35.4 Å²	35.4	52%	0.522	20%	0.199	S	C	.	.	S	Bend	trans	-85	160.3	-176.4	-73.9	-176.5	-174.9	-177.3	0	111.1	D215 R218 I271	D215-K269 IonicContact OD2-NZ 3.76Å; R218-K269 VanDerWaalsContact CZ-CB 3.48Å; K269-I271 PolarHBondContact O-N 3.42Å
270	P	98.8	Very high	98.6	Very high	27 Å²	27	35.3 Å²	35.3	18%	0.175	20%	0.199	C	C	.	.			trans	-50.6	133.9	175.7	-29.7	37.3	0	0	0	113	H176 V179 G180 R218 N312 V314	H176-P270 HydrophobicContact CB-CB 4.21Å; H176-P270 HydrophobicContact CB-CG 4.21Å; V179-P270 HydrophobicContact CG1-CB 4.3Å; G180-P270 PolarHBondContact N-O 3.48Å; R218-P270 PolarHBondContact NH1-O 3.01Å; R218-P270 PolarHBondContact NH2-O 2.95Å; P270-N312 WeakPolarHBondContact CA-O 3.38Å; P270-V314 HydrophobicContact CB-CG1 3.8Å; P270-V314 HydrophobicContact CB-CG2 3.92Å; P270-V314 HydrophobicContact CG-CG1 4.38Å
271	I	98.8	Very high	98.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148.3	171.4	66.6	165.2	0	0	0	111.5	G180 M266 K269 L311 N312 V313 V314	G180-I271 CarbonylContact O-C 3.47Å; G180-I271 WeakPolarHBondContact O-CA 3.44Å; M266-I271 HydrophobicContact CB-CG2 3.86Å; M266-I271 HydrophobicContact CG-CG2 4.01Å; M266-I271 HydrophobicContact SD-CG2 3.79Å; K269-I271 PolarHBondContact O-N 3.42Å; I271-L311 HydrophobicContact CD1-CB 3.72Å; I271-L311 HydrophobicContact CD1-CD1 3.51Å; I271-L311 HydrophobicContact CD1-CG 4.27Å; I271-L311 HydrophobicContact CG1-CB 4.39Å; I271-N312 PolarHBondContact N-O 3.01Å; I271-V313 HydrophobicContact CD1-CG2 3.96Å; I271-V313 HydrophobicContact CG1-CB 4.48Å; I271-V313 HydrophobicContact CG1-CG2 4.03Å; I271-V313 WeakPolarHBondContact O-CA 3.36Å; I271-V314 VanDerWaalsContact O-CG2 3.26Å; I271-V314 WeakPolarHBondContact O-CG2 3.37Å; I271-V314 PolarHBondContact O-N 2.88Å
272	Y	98.9	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.3	170.2	-164.2	-90	0	0	0	108.9	T165 I168 L169 M172 G180 L181 L182 G315 D317	T165-Y272 HydrophobicContact CG2-CE1 4.26Å; I168-Y272 HydrophobicContact CG2-CE2 3.91Å; I168-Y272 WeakPolarHBondContact CG2-OH 3.2Å; L169-Y272 HydrophobicContact CD2-CD1 3.99Å; L169-Y272 HydrophobicContact CD2-CD2 4.17Å; L169-Y272 HydrophobicContact CD2-CG 3.76Å; M172-Y272 HydrophobicContact CE-CD2 4.32Å; M172-Y272 HydrophobicContact CG-CD2 3.86Å; M172-Y272 HydrophobicContact CG-CE2 3.95Å; M172-Y272 HydrophobicContact SD-CD2 4.44Å; M172-Y272 HydrophobicContact SD-CE2 4.33Å; G180-Y272 PolarHBondContact O-N 3.37Å; L181-Y272 WeakPolarHBondContact CA-O 3.39Å; L181-Y272 HydrophobicContact CD1-CD1 4.23Å; L182-Y272 PolarHBondContact N-O 3.49Å; Y272-G315 WeakPolarHBondContact CA-O 3.23Å; Y272-G315 VanDerWaalsContact CD2-C 3.49Å; Y272-G315 WeakPolarHBondContact CD2-O 3.41Å; Y272-G315 VanDerWaalsContact CE2-C 3.4Å; Y272-D317 HydrophobicContact CE1-CB 4.46Å; Y272-D317 WeakPolarHBondContact CE1-OD2 3.05Å; Y272-D317 PolarHBondContact OH-N 3.41Å; Y272-D317 PolarHBondContact OH-OD2 3.14Å
273	I	98.9	Very high	98.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	119.1	174.4	-55.7	171.9	0	0	0	107.4	L182 C308 V313 G315 C316 D317 M342	L182-I273 HydrophobicContact CD2-CG1 4.48Å; L182-I273 HydrophobicContact CD2-CG2 4.41Å; L182-I273 WeakPolarHBondContact O-CA 3.49Å; I273-C308 HydrophobicContact CD1-CB 4Å; I273-V313 HydrophobicContact CD1-CG1 3.92Å; I273-V313 HydrophobicContact CD1-CG2 3.92Å; I273-V313 HydrophobicContact CG1-CG1 4.2Å; I273-G315 PolarHBondContact N-O 2.87Å; I273-G315 VanDerWaalsContact N-O 3.15Å; I273-C316 HydrophobicContact CB-CB 3.85Å; I273-C316 CarbonylContact O-C 3.56Å; I273-C316 WeakPolarHBondContact O-CA 3.33Å; I273-C316 VanDerWaalsContact O-CB 3.31Å; I273-C316 WeakPolarHBondContact O-CB 3.46Å; I273-D317 PolarHBondContact O-N 2.89Å; I273-M342 HydrophobicContact CG2-CE 4.27Å
274	S	99	Very high	98.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.5	172.3	-173.3	0	0	0	0	109.1	H162 L182 H183 V184 D317	H162-S274 PolarHBondContact NE2-OG 3.28Å; L182-S274 PolarHBondContact O-N 3.33Å; H183-S274 WeakPolarHBondContact CA-O 3.35Å; V184-S274 PolarHBondContact N-O 2.71Å; S274-D317 WeakPolarHBondContact CA-OD1 3.3Å; S274-D317 VanDerWaalsContact CB-OD1 3.26Å; S274-D317 WeakPolarHBondContact CB-OD1 3.33Å; S274-D317 PolarHBondContact OG-OD1 3.01Å; S274-D317 PolarHBondContact OG-OD2 3.38Å
275	F	98.9	Very high	98.6	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	105.6	-173.3	-161.8	-64.8	0	0	0	109.7	V184 L280 A301 I305 D317 L318 V319 L338 M342	V184-F275 HydrophobicContact CB-CD2 3.74Å; V184-F275 HydrophobicContact CB-CE2 3.9Å; V184-F275 HydrophobicContact CB-CG 4.14Å; V184-F275 HydrophobicContact CB-CZ 4.41Å; V184-F275 HydrophobicContact CG1-CD2 4.02Å; V184-F275 HydrophobicContact CG1-CE1 4.4Å; V184-F275 HydrophobicContact CG1-CE2 3.63Å; V184-F275 HydrophobicContact CG1-CZ 3.82Å; V184-F275 HydrophobicContact CG2-CD2 3.96Å; V184-F275 HydrophobicContact CG2-CE2 4.18Å; F275-L280 HydrophobicContact CE1-CG 4.34Å; F275-L280 HydrophobicContact CZ-CD2 4.31Å; F275-L280 HydrophobicContact CZ-CG 4.47Å; F275-A301 HydrophobicContact CE2-CB 3.92Å; F275-A301 HydrophobicContact CZ-CB 3.63Å; F275-I305 HydrophobicContact CD2-CD1 4.04Å; F275-I305 HydrophobicContact CD2-CG1 4.22Å; F275-I305 HydrophobicContact CE2-CD1 3.99Å; F275-I305 HydrophobicContact CE2-CG1 4.24Å; F275-D317 PolarHBondContact N-O 3.46Å; F275-D317 VanDerWaalsContact N-O 3.07Å; F275-D317 PolarHBondContact N-OD1 3.46Å; F275-L318 VanDerWaalsContact O-CA 3.27Å; F275-L318 WeakPolarHBondContact O-CA 3.21Å; F275-V319 PolarHBondContact O-N 2.84Å; F275-L338 HydrophobicContact CD1-CD1 4.3Å; F275-L338 HydrophobicContact CE1-CD1 3.77Å; F275-L338 HydrophobicContact CZ-CD1 3.9Å; F275-M342 HydrophobicContact CB-CE 3.35Å; F275-M342 HydrophobicContact CD2-CE 3.92Å; F275-M342 HydrophobicContact CG-CE 3.84Å
276	D	98.9	Very high	98.6	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	129.1	167.5	-158.8	-51.6	0	0	0	109.9	H162 V184 D185 D278 A279 V319 E320	H162-D276 IonicContact CE1-OD2 2.69Å; H162-D276 IonicContact CG-OD2 2.95Å; H162-D276 IonicContact ND1-OD2 2.95Å; H162-D276 PolarHBondContact ND1-OD2 3.22Å; V184-D276 PolarHBondContact O-N 2.82Å; D185-D276 HydrophobicContact CB-CB 3.98Å; D185-D276 VanDerWaalsContact CG-CB 3.45Å; D185-D276 WeakPolarHBondContact OD2-CB 3.38Å; D276-D278 PolarHBondContact O-N 2.96Å; D276-D278 WeakPolarHBondContact OD1-CB 3.33Å; D276-D278 PolarHBondContact OD1-N 2.7Å; D276-A279 VanDerWaalsContact O-CB 3.23Å; D276-A279 WeakPolarHBondContact O-CB 3.21Å; D276-A279 PolarHBondContact O-N 2.89Å; D276-V319 HydrophobicContact CB-CG2 4.06Å; D276-E320 WeakPolarHBondContact OD1-CB 3.3Å; D276-E320 WeakPolarHBondContact OD2-CG 3.05Å
277	I	98.9	Very high	98.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-65.8	-23	179.3	-157.6	61.8	0	0	0	112	A279 L280 A285 L318 V319 E320 V321 T331 L334 A335 L338	I277-A279 PolarHBondContact O-N 3.17Å; I277-L280 HydrophobicContact CD1-CD1 4.07Å; I277-L280 WeakPolarHBondContact O-CB 3.46Å; I277-L280 PolarHBondContact O-N 3.21Å; I277-A285 HydrophobicContact CG1-CB 3.88Å; I277-A285 WeakPolarHBondContact O-CB 3.35Å; I277-L318 HydrophobicContact CB-CD2 4.43Å; I277-L318 HydrophobicContact CD1-CD2 4.38Å; I277-V319 PolarHBondContact N-O 2.77Å; I277-E320 HydrophobicContact CG2-CB 4.26Å; I277-V321 HydrophobicContact CB-CG2 4.1Å; I277-V321 HydrophobicContact CG1-CG2 4.17Å; I277-V321 HydrophobicContact CG2-CG2 4.08Å; I277-T331 HydrophobicContact CG1-CG2 3.66Å; I277-T331 HydrophobicContact CG2-CG2 4.33Å; I277-L334 HydrophobicContact CD1-CG 4.43Å; I277-A335 HydrophobicContact CD1-CB 4.34Å; I277-L338 HydrophobicContact CD1-CD1 4.05Å
278	D	98.8	Very high	98.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-75.6	-8.1	178	84.8	10.1	0	0	0	113.8	A186 H187 R225 D276 L280 T288 T290	A186-D278 VanDerWaalsContact CB-OD1 3.3Å; A186-D278 WeakPolarHBondContact CB-OD1 3.39Å; A186-D278 PolarHBondContact N-OD1 3.06Å; H187-D278 IonicContact CE1-OD2 3.71Å; H187-D278 PolarHBondContact CE1-OD2 2.93Å; H187-D278 VanDerWaalsContact CE1-OD2 3.27Å; H187-D278 IonicContact ND1-OD1 3.94Å; H187-D278 IonicContact ND1-OD2 3.99Å; H187-D278 PolarHBondContact ND1-OD2 3.02Å; R225-D278 PolarHBondContact NH2-O 3.05Å; D276-D278 PolarHBondContact O-N 2.96Å; D276-D278 WeakPolarHBondContact OD1-CB 3.33Å; D276-D278 PolarHBondContact OD1-N 2.7Å; D278-L280 PolarHBondContact O-N 2.73Å; D278-L280 VanDerWaalsContact O-N 3.17Å; D278-L280 VanDerWaalsContact O-O 3.09Å; D278-T288 HydrophobicContact CB-CG2 3.64Å; D278-T288 WeakPolarHBondContact CB-OG1 3.41Å; D278-T290 PolarHBondContact OD2-OG1 3.46Å
279	A	98.9	Very high	98.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-55.8	-30.3	165.1	0	0	0	0	0	111.9	V184 R225 D276 I277 L296	V184-A279 HydrophobicContact CG1-CB 3.74Å; R225-A279 PolarHBondContact NH1-O 2.75Å; R225-A279 VanDerWaalsContact NH1-O 3.12Å; D276-A279 VanDerWaalsContact O-CB 3.23Å; D276-A279 WeakPolarHBondContact O-CB 3.21Å; D276-A279 PolarHBondContact O-N 2.89Å; I277-A279 PolarHBondContact O-N 3.17Å; A279-L296 WeakPolarHBondContact O-CB 3.32Å; A279-L296 PolarHBondContact O-N 3.37Å
280	L	98.9	Very high	98.7	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-80.9	151.1	177.4	-58.1	-175.3	0	0	0	111.4	R225 F275 I277 D278 A285 L296 A301 L334 L338	R225-L280 PolarHBondContact NH2-O 3.2Å; F275-L280 HydrophobicContact CE1-CG 4.34Å; F275-L280 HydrophobicContact CZ-CD2 4.31Å; F275-L280 HydrophobicContact CZ-CG 4.47Å; I277-L280 HydrophobicContact CD1-CD1 4.07Å; I277-L280 WeakPolarHBondContact O-CB 3.46Å; I277-L280 PolarHBondContact O-N 3.21Å; D278-L280 PolarHBondContact O-N 2.73Å; D278-L280 VanDerWaalsContact O-N 3.17Å; D278-L280 VanDerWaalsContact O-O 3.09Å; L280-A285 HydrophobicContact CB-CB 3.94Å; L280-L296 WeakPolarHBondContact CA-O 3.28Å; L280-L296 HydrophobicContact CD2-CB 3.98Å; L280-A301 HydrophobicContact CD2-CB 3.83Å; L280-L334 HydrophobicContact CD1-CD1 4.44Å; L280-L334 HydrophobicContact CD1-CD2 3.38Å; L280-L334 HydrophobicContact CD1-CG 3.95Å; L280-L338 HydrophobicContact CD1-CD1 4.22Å
281	D	98.8	Very high	98.7	Very high	37 Å²	37	18.3 Å²	18.3	20%	0.198	11%	0.11	C	C	.	.			trans	-59.7	140.2	174.5	-167	-81.8	0	0	0	111.1	A283 Y284 A285 A294 G295 L296	D281-A283 PolarHBondContact O-N 3.05Å; D281-A283 WeakPolarHBondContact OD1-CB 3.38Å; D281-A283 PolarHBondContact OD1-N 3.37Å; D281-Y284 HydrophobicContact CB-CD2 3.88Å; D281-Y284 HydrophobicContact CB-CE2 4.19Å; D281-Y284 PolarHBondContact O-N 3.23Å; D281-A285 PolarHBondContact O-N 3.29Å; D281-A294 WeakPolarHBondContact OD2-CA 3.15Å; D281-A294 PolarHBondContact OD2-N 3.45Å; D281-G295 PolarHBondContact OD2-N 3Å; D281-L296 PolarHBondContact N-O 3.03Å
282	P	98.6	Very high	98.7	Very high	32 Å²	32	20.2 Å²	20.2	21%	0.208	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.6	176.8	-26.7	35.3	0	0	0	114.4	Y284 P286 P291 E292	P282-Y284 PolarHBondContact O-N 3.08Å; P282-P286 WeakPolarHBondContact O-CA 3.27Å; P282-P286 WeakPolarHBondContact O-CB 3.21Å; P282-P286 WeakPolarHBondContact O-CD 3.33Å; P282-P291 HydrophobicContact CB-CB 4.26Å; P282-P291 HydrophobicContact CG-CB 3.74Å; P282-E292 WeakPolarHBondContact CD-O 3.29Å
283	A	98.2	Very high	98.7	Very high	81 Å²	81	26 Å²	26	67%	0.669	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.4	169	0	0	0	0	0	113.2	D281	D281-A283 PolarHBondContact O-N 3.05Å; D281-A283 WeakPolarHBondContact OD1-CB 3.38Å; D281-A283 PolarHBondContact OD1-N 3.37Å
284	Y	98.5	Very high	98.6	Very high	107 Å²	107	28 Å²	28	42%	0.42	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-36.3	179.4	-53.9	-69	0	0	0	112.7	D281 P282 P286 T297 P298	D281-Y284 HydrophobicContact CB-CD2 3.88Å; D281-Y284 HydrophobicContact CB-CE2 4.19Å; D281-Y284 PolarHBondContact O-N 3.23Å; P282-Y284 PolarHBondContact O-N 3.08Å; Y284-P286 VanDerWaalsContact C-CD 3.42Å; Y284-P286 WeakPolarHBondContact O-CD 3.3Å; Y284-T297 HydrophobicContact CE2-CG2 4.19Å; Y284-P298 HydrophobicContact CD1-CG 3.73Å; Y284-P298 VanDerWaalsContact CD2-CD 3.49Å; Y284-P298 HydrophobicContact CD2-CG 4.19Å; Y284-P298 HydrophobicContact CE1-CG 4.25Å; Y284-P298 HydrophobicContact CG-CG 3.69Å
285	A	98.6	Very high	98.6	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	17%	0.169	C	C	.	.			trans	-124.9	64.6	-178.3	0	0	0	0	0	111.9	I277 L280 D281 G287 T331 L334	I277-A285 HydrophobicContact CG1-CB 3.88Å; I277-A285 WeakPolarHBondContact O-CB 3.35Å; L280-A285 HydrophobicContact CB-CB 3.94Å; D281-A285 PolarHBondContact O-N 3.29Å; A285-G287 PolarHBondContact O-N 3.14Å; A285-T331 HydrophobicContact CB-CG2 3.96Å; A285-L334 HydrophobicContact CB-CD2 4.46Å
286	P	98.5	Very high	98.6	Very high	55 Å²	55	28.4 Å²	28.4	36%	0.357	17%	0.17	S	C	.	.			trans	-66.3	-22.4	179.1	27.5	-36.1	0	0	0	113.3	P282 Y284 T288 T331	P282-P286 WeakPolarHBondContact O-CA 3.27Å; P282-P286 WeakPolarHBondContact O-CB 3.21Å; P282-P286 WeakPolarHBondContact O-CD 3.33Å; Y284-P286 VanDerWaalsContact C-CD 3.42Å; Y284-P286 WeakPolarHBondContact O-CD 3.3Å; P286-T288 VanDerWaalsContact C-N 3.34Å; P286-T288 PolarHBondContact O-N 3.25Å; P286-T331 VanDerWaalsContact CD-OG1 3.28Å; P286-T331 WeakPolarHBondContact CD-OG1 3.41Å
287	G	98.7	Very high	98.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.184	C	C	.	.			trans	-82.1	63.9	-176.2	0	0	0	0	0	114.5	A285 S322 T331	A285-G287 PolarHBondContact O-N 3.14Å; G287-S322 PolarHBondContact O-N 3.33Å; G287-T331 PolarHBondContact N-OG1 3.27Å
288	T	98.8	Very high	98.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	20%	0.195	C	C	.	.	S	Bend	trans	-142.7	161.3	177.1	-176.3	0	0	0	0	112.2	D278 P286 P291 E320	D278-T288 HydrophobicContact CB-CG2 3.64Å; D278-T288 WeakPolarHBondContact CB-OG1 3.41Å; P286-T288 VanDerWaalsContact C-N 3.34Å; P286-T288 PolarHBondContact O-N 3.25Å; T288-P291 HydrophobicContact CG2-CB 3.88Å; T288-E320 WeakPolarHBondContact CA-O 3.35Å; T288-E320 PolarHBondContact OG1-O 3.26Å
289	G	98.6	Very high	98.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	22%	0.215	C	C	.	.	S	Bend	trans	-72	-37.5	-177.9	0	0	0	0	0	114.3	R87 P291	R87-G289 WeakPolarHBondContact CB-O 3.49Å; R87-G289 WeakPolarHBondContact CD-O 3.49Å; R87-G289 WeakPolarHBondContact O-CA 3.49Å; G289-P291 VanDerWaalsContact C-CD 3.47Å; G289-P291 WeakPolarHBondContact O-CD 3.44Å
290	T	98.3	Very high	98.6	Very high	23 Å²	23	35.1 Å²	35.1	14%	0.141	22%	0.218	C	C	.	.	S	Bend	trans	-128.4	55.9	-169.7	38	0	0	0	0	113	H187 D278 E292	H187-T290 PolarHBondContact CE1-O 3.37Å; H187-T290 VanDerWaalsContact CE1-O 3.32Å; D278-T290 PolarHBondContact OD2-OG1 3.46Å; T290-E292 PolarHBondContact O-N 2.91Å
291	P	98.1	Very high	98.6	Very high	42 Å²	42	35 Å²	35	27%	0.273	22%	0.218	S	C	.	.			trans	-63.7	127.3	-174.5	27.2	-34.6	0	0	0	112.3	P282 T288 G289	P282-P291 HydrophobicContact CB-CB 4.26Å; P282-P291 HydrophobicContact CG-CB 3.74Å; T288-P291 HydrophobicContact CG2-CB 3.88Å; G289-P291 VanDerWaalsContact C-CD 3.47Å; G289-P291 WeakPolarHBondContact O-CD 3.44Å
292	E	98.6	Very high	98.6	Very high	41 Å²	41	35.7 Å²	35.7	19%	0.192	22%	0.221	C	C	.	.			trans	-110.3	130.7	170.4	-65.7	-66.7	174.8	0	0	110.3	A186 H187 R225 P282 T290	A186-E292 HydrophobicContact CB-CB 4.12Å; A186-E292 HydrophobicContact CB-CG 4.07Å; H187-E292 WeakPolarHBondContact NE2-CG 3.32Å; H187-E292 IonicContact NE2-OE1 3.37Å; H187-E292 PolarHBondContact NE2-OE1 3.09Å; R225-E292 HydrophobicContact CG-CB 4.02Å; R225-E292 PolarHBondContact NE-O 3.12Å; R225-E292 PolarHBondContact NH2-O 3.27Å; P282-E292 WeakPolarHBondContact CD-O 3.29Å; T290-E292 PolarHBondContact O-N 2.91Å
293	I	98.4	Very high	98.6	Very high	122 Å²	122	36.7 Å²	36.7	63%	0.626	22%	0.223	S	C	*	.	S	Bend	trans	-68.6	167	-179.9	64.9	168	0	0	0	112.5	R225 G295	R225-I293 WeakPolarHBondContact CD-O 3.38Å; R225-I293 PolarHBondContact NE-O 2.98Å; I293-G295 VanDerWaalsContact C-N 3.33Å; I293-G295 PolarHBondContact O-N 2.77Å
294	A	98.1	Very high	98.6	Very high	41 Å²	41	32.9 Å²	32.9	34%	0.339	19%	0.191	S	C	.	.	S	Bend	trans	59.8	40.8	176	0	0	0	0	0	113.4	W251 D281	W251-A294 HydrophobicContact CZ2-CB 3.76Å; W251-A294 PolarHBondContact NE1-O 3.08Å; D281-A294 WeakPolarHBondContact OD2-CA 3.15Å; D281-A294 PolarHBondContact OD2-N 3.45Å
295	G	98.8	Very high	98.6	Very high	9 Å²	9	27.8 Å²	27.8	9%	0.093	17%	0.171	C	C	.	.			trans	-82.2	-171.7	-178	0	0	0	0	0	114.5	D281 I293	D281-G295 PolarHBondContact OD2-N 3Å; I293-G295 VanDerWaalsContact C-N 3.33Å; I293-G295 PolarHBondContact O-N 2.77Å
296	L	98.9	Very high	98.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-69.6	153	176.1	-60.8	177.8	0	0	0	111.2	V184 C250 L255 A279 L280 D281 I304	V184-L296 HydrophobicContact CG1-CD1 3.98Å; C250-L296 HydrophobicContact CB-CD2 3.65Å; L255-L296 HydrophobicContact CD1-CD2 4.4Å; A279-L296 WeakPolarHBondContact O-CB 3.32Å; A279-L296 PolarHBondContact O-N 3.37Å; L280-L296 WeakPolarHBondContact CA-O 3.28Å; L280-L296 HydrophobicContact CD2-CB 3.98Å; D281-L296 PolarHBondContact N-O 3.03Å; L296-I304 HydrophobicContact CD1-CD1 3.95Å
297	T	98.8	Very high	98.6	Very high	52 Å²	52	29.6 Å²	29.6	32%	0.319	18%	0.175	S	C	.	.			trans	-86.8	156.7	170.1	65	0	0	0	0	111.2	Y284 G299 Q300 A301	Y284-T297 HydrophobicContact CE2-CG2 4.19Å; T297-G299 PolarHBondContact O-N 2.82Å; T297-Q300 WeakPolarHBondContact O-CB 3.25Å; T297-Q300 PolarHBondContact O-N 3.49Å; T297-Q300 WeakPolarHBondContact OG1-CG 3.38Å; T297-Q300 PolarHBondContact OG1-N 2.9Å; T297-Q300 PolarHBondContact OG1-OE1 3.06Å; T297-A301 PolarHBondContact O-N 3.02Å; T297-A301 VanDerWaalsContact O-N 3.09Å
298	P	98.6	Very high	98.6	Very high	33 Å²	33	29.6 Å²	29.6	21%	0.214	18%	0.175	C	C	.	.	H	α-helix	trans	-55.8	-33.3	173.2	-28.6	35.8	0	0	0	113.4	Y284 A301 L302 L334	Y284-P298 HydrophobicContact CD1-CG 3.73Å; Y284-P298 VanDerWaalsContact CD2-CD 3.49Å; Y284-P298 HydrophobicContact CD2-CG 4.19Å; Y284-P298 HydrophobicContact CE1-CG 4.25Å; Y284-P298 HydrophobicContact CG-CG 3.69Å; P298-A301 PolarHBondContact O-N 3.31Å; P298-L302 WeakPolarHBondContact O-CG 3.18Å; P298-L302 PolarHBondContact O-N 3.04Å; P298-L334 HydrophobicContact CB-CD1 4.22Å; P298-L334 HydrophobicContact CG-CD1 4.4Å
299	G	98.7	Very high	98.5	Very high	41 Å²	41	32.6 Å²	32.6	42%	0.423	19%	0.189	S	C	.	.	H	α-helix	trans	-62.4	-42.6	175.5	0	0	0	0	0	112.6	T297 L302 E303	T297-G299 PolarHBondContact O-N 2.82Å; G299-L302 WeakPolarHBondContact O-CB 3.45Å; G299-L302 PolarHBondContact O-N 3Å; G299-E303 WeakPolarHBondContact O-CG 3.47Å; G299-E303 PolarHBondContact O-N 2.85Å
300	Q	98.9	Very high	98.3	Very high	16 Å²	16	36 Å²	36	8%	0.075	22%	0.224	C	C	.	.	H	α-helix	trans	-67.8	-37.4	176.4	-72.3	173.4	-47.4	0	0	112.1	C250 K253 L255 T297 L302 E303 I304	C250-Q300 PolarHBondContact O-NE2 3.23Å; K253-Q300 PolarHBondContact O-NE2 3.45Å; L255-Q300 HydrophobicContact CD1-CB 3.75Å; L255-Q300 HydrophobicContact CD1-CG 4.12Å; L255-Q300 HydrophobicContact CG-CB 4.18Å; L255-Q300 HydrophobicContact CG-CG 4.06Å; T297-Q300 WeakPolarHBondContact O-CB 3.25Å; T297-Q300 PolarHBondContact O-N 3.49Å; T297-Q300 WeakPolarHBondContact OG1-CG 3.38Å; T297-Q300 PolarHBondContact OG1-N 2.9Å; T297-Q300 PolarHBondContact OG1-OE1 3.06Å; Q300-L302 VanDerWaalsContact C-N 3.33Å; Q300-L302 PolarHBondContact O-N 3.02Å; Q300-E303 PolarHBondContact O-N 3.31Å; Q300-I304 WeakPolarHBondContact O-CG1 3.39Å; Q300-I304 PolarHBondContact O-N 3.35Å
301	A	98.9	Very high	98.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-40.4	172.3	0	0	0	0	0	112.6	F275 L280 T297 P298 I304 I305 L338	F275-A301 HydrophobicContact CE2-CB 3.92Å; F275-A301 HydrophobicContact CZ-CB 3.63Å; L280-A301 HydrophobicContact CD2-CB 3.83Å; T297-A301 PolarHBondContact O-N 3.02Å; T297-A301 VanDerWaalsContact O-N 3.09Å; P298-A301 PolarHBondContact O-N 3.31Å; A301-I304 PolarHBondContact O-N 3.3Å; A301-I305 WeakPolarHBondContact O-CG1 3.48Å; A301-I305 PolarHBondContact O-N 3.36Å; A301-L338 HydrophobicContact CB-CD2 4.01Å
302	L	98.8	Very high	98.3	Very high	51 Å²	51	36.2 Å²	36.2	27%	0.267	22%	0.223	S	C	.	.	H	α-helix	trans	-63.6	-41.6	173.4	-68.9	177.1	0	0	0	112.1	P298 G299 Q300 I304 I305 R306 L338 E341	P298-L302 WeakPolarHBondContact O-CG 3.18Å; P298-L302 PolarHBondContact O-N 3.04Å; G299-L302 WeakPolarHBondContact O-CB 3.45Å; G299-L302 PolarHBondContact O-N 3Å; Q300-L302 VanDerWaalsContact C-N 3.33Å; Q300-L302 PolarHBondContact O-N 3.02Å; L302-I304 VanDerWaalsContact C-N 3.29Å; L302-I304 PolarHBondContact O-N 3.42Å; L302-I305 PolarHBondContact O-N 2.99Å; L302-R306 WeakPolarHBondContact O-CB 3.2Å; L302-R306 VanDerWaalsContact O-CG 3.23Å; L302-R306 WeakPolarHBondContact O-CG 3.25Å; L302-R306 PolarHBondContact O-N 2.69Å; L302-L338 HydrophobicContact CD2-CD2 4.44Å; L302-E341 HydrophobicContact CD2-CB 4.43Å; L302-E341 HydrophobicContact CD2-CG 3.54Å
303	E	98.8	Very high	98.4	Very high	52 Å²	52	34.3 Å²	34.3	24%	0.243	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-39.9	175.3	-70	177.5	146.3	0	0	111.7	S254 L255 V256 G299 Q300 G307	S254-E303 WeakPolarHBondContact CA-OE2 3.46Å; S254-E303 WeakPolarHBondContact CB-OE1 3.38Å; S254-E303 VanDerWaalsContact OG-CD 3.32Å; S254-E303 PolarHBondContact OG-OE1 3.37Å; L255-E303 HydrophobicContact CB-CB 4.37Å; L255-E303 PolarHBondContact N-OE2 2.93Å; V256-E303 HydrophobicContact CG2-CB 4.36Å; V256-E303 HydrophobicContact CG2-CG 4.05Å; G299-E303 WeakPolarHBondContact O-CG 3.47Å; G299-E303 PolarHBondContact O-N 2.85Å; Q300-E303 PolarHBondContact O-N 3.31Å; E303-G307 PolarHBondContact O-N 2.77Å
304	I	98.9	Very high	98.4	Very high	1 Å²	1	29 Å²	29	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-64.6	-56.1	175.9	-66.7	163.3	0	0	0	110.9	L182 V184 I222 L255 M259 L296 Q300 A301 L302 R306 G307	L182-I304 HydrophobicContact CD1-CG2 4.4Å; L182-I304 HydrophobicContact CD2-CG2 3.87Å; L182-I304 HydrophobicContact CG-CG2 4.48Å; V184-I304 HydrophobicContact CG1-CD1 4.2Å; V184-I304 HydrophobicContact CG2-CG2 3.72Å; I222-I304 HydrophobicContact CG2-CD1 3.92Å; L255-I304 HydrophobicContact CD1-CD1 3.66Å; L255-I304 HydrophobicContact CD1-CG1 3.85Å; M259-I304 VanDerWaalsContact CE-O 3.31Å; M259-I304 WeakPolarHBondContact CE-O 3.22Å; M259-I304 HydrophobicContact CG-CG1 4.5Å; M259-I304 HydrophobicContact SD-CB 4.23Å; M259-I304 HydrophobicContact SD-CG1 4.24Å; M259-I304 HydrophobicContact SD-CG2 3.95Å; L296-I304 HydrophobicContact CD1-CD1 3.95Å; Q300-I304 WeakPolarHBondContact O-CG1 3.39Å; Q300-I304 PolarHBondContact O-N 3.35Å; A301-I304 PolarHBondContact O-N 3.3Å; L302-I304 VanDerWaalsContact C-N 3.29Å; L302-I304 PolarHBondContact O-N 3.42Å; I304-R306 PolarHBondContact O-N 3.26Å; I304-G307 WeakPolarHBondContact O-CA 3.33Å; I304-G307 PolarHBondContact O-N 2.78Å; I304-G307 VanDerWaalsContact O-N 3.17Å
305	I	98.8	Very high	98.4	Very high	1 Å²	1	27 Å²	27	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-64.1	-45.5	-175.8	-64.5	169.7	0	0	0	111.2	F275 A301 L302 G307 C308 L338 E341 M342	F275-I305 HydrophobicContact CD2-CD1 4.04Å; F275-I305 HydrophobicContact CD2-CG1 4.22Å; F275-I305 HydrophobicContact CE2-CD1 3.99Å; F275-I305 HydrophobicContact CE2-CG1 4.24Å; A301-I305 WeakPolarHBondContact O-CG1 3.48Å; A301-I305 PolarHBondContact O-N 3.36Å; L302-I305 PolarHBondContact O-N 2.99Å; I305-G307 PolarHBondContact O-N 3.28Å; I305-C308 VanDerWaalsContact O-CB 3.26Å; I305-C308 WeakPolarHBondContact O-CB 3.3Å; I305-C308 PolarHBondContact O-N 3.4Å; I305-L338 HydrophobicContact CD1-CB 3.96Å; I305-L338 HydrophobicContact CD1-CD2 3.63Å; I305-L338 HydrophobicContact CD1-CG 4.32Å; I305-E341 HydrophobicContact CG2-CB 3.76Å; I305-M342 HydrophobicContact CD1-CE 3.99Å; I305-M342 HydrophobicContact CD1-CG 4.26Å; I305-M342 HydrophobicContact CG1-CE 4.48Å; I305-M342 HydrophobicContact CG1-CG 4.48Å; I305-M342 HydrophobicContact CG2-CG 3.92Å
306	R	98.5	Very high	98.4	Very high	78 Å²	78	26.6 Å²	26.6	29%	0.294	17%	0.166	S	C	.	.	H	α-helix	trans	-67.9	-26.3	177.8	-65.8	173.8	177.5	176.8	0.7	112.2	T111 L302 I304 C308 Q309 E341	T111-R306 HydrophobicContact CG2-CG 4.14Å; L302-R306 WeakPolarHBondContact O-CB 3.2Å; L302-R306 VanDerWaalsContact O-CG 3.23Å; L302-R306 WeakPolarHBondContact O-CG 3.25Å; L302-R306 PolarHBondContact O-N 2.69Å; I304-R306 PolarHBondContact O-N 3.26Å; R306-C308 PolarHBondContact O-N 3.04Å; R306-Q309 VanDerWaalsContact O-CB 3.29Å; R306-Q309 WeakPolarHBondContact O-CB 3.42Å; R306-Q309 PolarHBondContact O-N 3.4Å; R306-E341 WeakPolarHBondContact CG-OE2 3.08Å; R306-E341 IonicContact CZ-OE1 3.28Å; R306-E341 IonicContact CZ-OE2 3.75Å; R306-E341 IonicContact NE-OE1 3.04Å; R306-E341 PolarHBondContact NE-OE1 2.87Å; R306-E341 IonicContact NE-OE2 3.99Å; R306-E341 PolarHBondContact NE-OE2 3.17Å; R306-E341 IonicContact NH2-OE1 2.91Å; R306-E341 PolarHBondContact NH2-OE1 2.74Å; R306-E341 IonicContact NH2-OE2 2.66Å
307	G	98.4	Very high	98.4	Very high	15 Å²	15	26.5 Å²	26.5	16%	0.155	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.1	169.7	0	0	0	0	0	113.7	R263 E303 I304 I305 Q309	R263-G307 WeakPolarHBondContact CD-O 3.49Å; R263-G307 VanDerWaalsContact CG-O 3.23Å; R263-G307 WeakPolarHBondContact CG-O 3.49Å; E303-G307 PolarHBondContact O-N 2.77Å; I304-G307 WeakPolarHBondContact O-CA 3.33Å; I304-G307 PolarHBondContact O-N 2.78Å; I304-G307 VanDerWaalsContact O-N 3.17Å; I305-G307 PolarHBondContact O-N 3.28Å; G307-Q309 VanDerWaalsContact C-N 3.34Å
308	C	98.4	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.9	173.6	-63.6	0	0	0	0	114	L182 I273 I305 R306 G310 L311 V313 A345	L182-C308 WeakPolarHBondContact CD2-SG 2.95Å; I273-C308 HydrophobicContact CD1-CB 4Å; I305-C308 VanDerWaalsContact O-CB 3.26Å; I305-C308 WeakPolarHBondContact O-CB 3.3Å; I305-C308 PolarHBondContact O-N 3.4Å; R306-C308 PolarHBondContact O-N 3.04Å; C308-G310 PolarHBondContact O-N 3.41Å; C308-L311 HydrophobicContact CB-CD1 4.35Å; C308-L311 VanDerWaalsContact O-CB 3.3Å; C308-L311 WeakPolarHBondContact O-CB 3.36Å; C308-L311 WeakPolarHBondContact O-CG 3.36Å; C308-L311 PolarHBondContact O-N 3.46Å; C308-V313 HydrophobicContact CB-CG2 4.33Å; C308-A345 HydrophobicContact CB-CB 4.43Å
309	Q	96.4	Very high	98.5	Very high	64 Å²	64	22.5 Å²	22.5	30%	0.299	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	126.5	179.2	-168	72.3	19.3	0	0	110.8	R306 G307 L311 C344	R306-Q309 VanDerWaalsContact O-CB 3.29Å; R306-Q309 WeakPolarHBondContact O-CB 3.42Å; R306-Q309 PolarHBondContact O-N 3.4Å; G307-Q309 VanDerWaalsContact C-N 3.34Å; Q309-L311 VanDerWaalsContact C-N 3.32Å; Q309-C344 PolarHBondContact OE1-O 2.84Å
310	G	95.3	Very high	98.5	Very high	72 Å²	72	20.6 Å²	20.6	74%	0.742	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	-0.4	-179.1	0	0	0	0	0	115.3	C308	C308-G310 PolarHBondContact O-N 3.41Å
311	L	98.1	Very high	98.5	Very high	11 Å²	11	19.8 Å²	19.8	6%	0.058	12%	0.117	C	C	.	.	S	Bend	trans	-79.5	161.5	166.5	-60.3	-176.8	0	0	0	110.9	R263 M266 I271 C308 Q309 V313	R263-L311 HydrophobicContact CB-CD2 4.27Å; R263-L311 HydrophobicContact CG-CD1 4.07Å; R263-L311 HydrophobicContact CG-CD2 4.16Å; R263-L311 HydrophobicContact CG-CG 4.31Å; M266-L311 HydrophobicContact CB-CD1 4.21Å; M266-L311 HydrophobicContact CG-CD1 4.4Å; I271-L311 HydrophobicContact CD1-CB 3.72Å; I271-L311 HydrophobicContact CD1-CD1 3.51Å; I271-L311 HydrophobicContact CD1-CG 4.27Å; I271-L311 HydrophobicContact CG1-CB 4.39Å; C308-L311 HydrophobicContact CB-CD1 4.35Å; C308-L311 VanDerWaalsContact O-CB 3.3Å; C308-L311 WeakPolarHBondContact O-CB 3.36Å; C308-L311 WeakPolarHBondContact O-CG 3.36Å; C308-L311 PolarHBondContact O-N 3.46Å; Q309-L311 VanDerWaalsContact C-N 3.32Å; L311-V313 VanDerWaalsContact C-N 3.27Å; L311-V313 HydrophobicContact CB-CG2 4.49Å; L311-V313 PolarHBondContact O-N 3.07Å
312	N	98.5	Very high	98.5	Very high	60 Å²	60	19.9 Å²	19.9	32%	0.321	12%	0.117	S	C	.	.			trans	-84	69	177.3	-173.7	15.5	0	0	0	111	P270 I271 V314	P270-N312 WeakPolarHBondContact CA-O 3.38Å; I271-N312 PolarHBondContact N-O 3.01Å; N312-V314 PolarHBondContact O-N 3.33Å
313	V	98.8	Very high	98.5	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	117	176.3	-176	0	0	0	0	109.3	I271 I273 C308 L311 L346 P347	I271-V313 HydrophobicContact CD1-CG2 3.96Å; I271-V313 HydrophobicContact CG1-CB 4.48Å; I271-V313 HydrophobicContact CG1-CG2 4.03Å; I271-V313 WeakPolarHBondContact O-CA 3.36Å; I273-V313 HydrophobicContact CD1-CG1 3.92Å; I273-V313 HydrophobicContact CD1-CG2 3.92Å; I273-V313 HydrophobicContact CG1-CG1 4.2Å; C308-V313 HydrophobicContact CB-CG2 4.33Å; L311-V313 VanDerWaalsContact C-N 3.27Å; L311-V313 HydrophobicContact CB-CG2 4.49Å; L311-V313 PolarHBondContact O-N 3.07Å; V313-L346 HydrophobicContact CB-CD2 4.09Å; V313-L346 HydrophobicContact CG1-CD2 3.72Å; V313-P347 VanDerWaalsContact O-CD 3.28Å; V313-P347 WeakPolarHBondContact O-CD 3.44Å
314	V	98.9	Very high	98.5	Very high	9 Å²	9	19.4 Å²	19.4	6%	0.055	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-7.5	-177.3	-67.1	0	0	0	0	113.8	M172 V179 P270 I271 N312	M172-V314 HydrophobicContact CE-CB 3.78Å; M172-V314 HydrophobicContact CE-CG2 3.52Å; M172-V314 WeakPolarHBondContact CE-O 3.27Å; V179-V314 HydrophobicContact CG1-CG2 4.38Å; P270-V314 HydrophobicContact CB-CG1 3.8Å; P270-V314 HydrophobicContact CB-CG2 3.92Å; P270-V314 HydrophobicContact CG-CG1 4.38Å; I271-V314 VanDerWaalsContact O-CG2 3.26Å; I271-V314 WeakPolarHBondContact O-CG2 3.37Å; I271-V314 PolarHBondContact O-N 2.88Å; N312-V314 PolarHBondContact O-N 3.33Å
315	G	98.9	Very high	98.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177	162.2	175.4	0	0	0	0	0	110.4	P155 Y272 I273	P155-G315 WeakPolarHBondContact O-CA 3.36Å; Y272-G315 WeakPolarHBondContact CA-O 3.23Å; Y272-G315 VanDerWaalsContact CD2-C 3.49Å; Y272-G315 WeakPolarHBondContact CD2-O 3.41Å; Y272-G315 VanDerWaalsContact CE2-C 3.4Å; I273-G315 PolarHBondContact N-O 2.87Å; I273-G315 VanDerWaalsContact N-O 3.15Å
316	C	98.9	Very high	98.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	154.5	174.7	53.2	0	0	0	0	112.6	P155 L156 T157 I273 M342	P155-C316 PolarHBondContact O-N 2.72Å; L156-C316 CarbonylContact C-O 3.47Å; L156-C316 WeakPolarHBondContact CA-O 3.29Å; L156-C316 WeakPolarHBondContact CD2-SG 3.39Å; T157-C316 PolarHBondContact N-O 3.4Å; I273-C316 HydrophobicContact CB-CB 3.85Å; I273-C316 CarbonylContact O-C 3.56Å; I273-C316 WeakPolarHBondContact O-CA 3.33Å; I273-C316 VanDerWaalsContact O-CB 3.31Å; I273-C316 WeakPolarHBondContact O-CB 3.46Å; C316-M342 HydrophobicContact CB-SD 3.83Å
317	D	98.9	Very high	98.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	155.5	170	61.6	42.4	0	0	0	112.1	T157 T165 Y272 I273 S274 F275 V319	T157-D317 HydrophobicContact CG2-CB 4.15Å; T165-D317 WeakPolarHBondContact CB-OD2 3.06Å; T165-D317 WeakPolarHBondContact CG2-OD2 3.18Å; T165-D317 PolarHBondContact OG1-OD2 3.13Å; Y272-D317 HydrophobicContact CE1-CB 4.46Å; Y272-D317 WeakPolarHBondContact CE1-OD2 3.05Å; Y272-D317 PolarHBondContact OH-N 3.41Å; Y272-D317 PolarHBondContact OH-OD2 3.14Å; I273-D317 PolarHBondContact O-N 2.89Å; S274-D317 WeakPolarHBondContact CA-OD1 3.3Å; S274-D317 VanDerWaalsContact CB-OD1 3.26Å; S274-D317 WeakPolarHBondContact CB-OD1 3.33Å; S274-D317 PolarHBondContact OG-OD1 3.01Å; S274-D317 PolarHBondContact OG-OD2 3.38Å; F275-D317 PolarHBondContact N-O 3.46Å; F275-D317 VanDerWaalsContact N-O 3.07Å; F275-D317 PolarHBondContact N-OD1 3.46Å; D317-V319 HydrophobicContact CB-CG1 4.14Å
318	L	98.9	Very high	98	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	117.2	164.5	-170.8	158	0	0	0	108.9	I97 T157 G159 F275 I277 V321 A335 L338 L339	I97-L318 HydrophobicContact CD1-CD2 4.5Å; T157-L318 PolarHBondContact O-N 2.87Å; G159-L318 WeakPolarHBondContact CA-O 3.39Å; G159-L318 PolarHBondContact N-O 3.27Å; F275-L318 VanDerWaalsContact O-CA 3.27Å; F275-L318 WeakPolarHBondContact O-CA 3.21Å; I277-L318 HydrophobicContact CB-CD2 4.43Å; I277-L318 HydrophobicContact CD1-CD2 4.38Å; L318-V321 HydrophobicContact CD2-CG2 3.56Å; L318-A335 HydrophobicContact CD1-CB 3.82Å; L318-A335 WeakPolarHBondContact CD1-O 3.45Å; L318-A335 HydrophobicContact CD2-CB 3.42Å; L318-A335 VanDerWaalsContact CD2-CB 3.42Å; L318-A335 HydrophobicContact CG-CB 4.29Å; L318-L338 HydrophobicContact CD1-CB 3.67Å; L318-L338 HydrophobicContact CD1-CD1 4.11Å; L318-L339 HydrophobicContact CB-CD1 4.34Å; L318-L339 HydrophobicContact CB-CD2 3.94Å; L318-L339 HydrophobicContact CB-CG 3.95Å; L318-L339 HydrophobicContact CD1-CG 4.17Å
319	V	98.9	Very high	98	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	175	-166.7	-58.7	0	0	0	0	112.8	H162 I164 F275 D276 I277 D317 V321	H162-V319 HydrophobicContact CB-CG2 4.23Å; I164-V319 HydrophobicContact CD1-CG1 4.05Å; I164-V319 HydrophobicContact CG1-CG1 4.18Å; F275-V319 PolarHBondContact O-N 2.84Å; D276-V319 HydrophobicContact CB-CG2 4.06Å; I277-V319 PolarHBondContact N-O 2.77Å; D317-V319 HydrophobicContact CB-CG1 4.14Å; V319-V321 PolarHBondContact O-N 3.01Å; V319-V321 VanDerWaalsContact O-N 3.08Å
320	E	98.9	Very high	98	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	19%	0.194	C	C	.	.			trans	61.3	12.5	174	-62.8	-65.8	176.3	0	0	117.2	G160 D161 H162 H201 D276 I277 T288 S322	G160-E320 PolarHBondContact O-N 2.82Å; D161-E320 VanDerWaalsContact CA-OE1 3.25Å; D161-E320 WeakPolarHBondContact CA-OE1 3.25Å; D161-E320 WeakPolarHBondContact CB-OE1 3.5Å; H162-E320 PolarHBondContact N-OE1 3.46Å; H201-E320 IonicContact CG-OE1 3.24Å; H201-E320 IonicContact ND1-OE1 2.78Å; H201-E320 PolarHBondContact ND1-OE1 3.35Å; D276-E320 WeakPolarHBondContact OD1-CB 3.3Å; D276-E320 WeakPolarHBondContact OD2-CG 3.05Å; I277-E320 HydrophobicContact CG2-CB 4.26Å; T288-E320 WeakPolarHBondContact CA-O 3.35Å; T288-E320 PolarHBondContact OG1-O 3.26Å; E320-S322 PolarHBondContact O-N 3.17Å
321	V	98.9	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.			trans	-65.8	112	168.5	179.3	0	0	0	0	109.5	A90 G93 I97 I277 L318 V319 P323 T331 A332 A335	A90-V321 WeakPolarHBondContact CA-O 3.2Å; G93-V321 VanDerWaalsContact CA-O 3.26Å; G93-V321 WeakPolarHBondContact CA-O 3.47Å; I97-V321 HydrophobicContact CD1-CB 4.14Å; I97-V321 HydrophobicContact CD1-CG1 4.41Å; I97-V321 HydrophobicContact CD1-CG2 3.97Å; I97-V321 HydrophobicContact CG1-CG1 4.23Å; I97-V321 HydrophobicContact CG1-CG2 4.43Å; I277-V321 HydrophobicContact CB-CG2 4.1Å; I277-V321 HydrophobicContact CG1-CG2 4.17Å; I277-V321 HydrophobicContact CG2-CG2 4.08Å; L318-V321 HydrophobicContact CD2-CG2 3.56Å; V319-V321 PolarHBondContact O-N 3.01Å; V319-V321 VanDerWaalsContact O-N 3.08Å; V321-P323 WeakPolarHBondContact O-CD 3.42Å; V321-T331 HydrophobicContact CG1-CG2 4.46Å; V321-A332 HydrophobicContact CG1-CB 4.26Å; V321-A335 HydrophobicContact CG2-CB 3.66Å
322	S	98.8	Very high	98.3	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.007	16%	0.156	C	C	.	.			trans	-115.6	93.8	-176.9	-167.8	0	0	0	0	111.3	P88 G89 G287 E320 Y325	P88-S322 PolarHBondContact O-OG 3.2Å; G89-S322 WeakPolarHBondContact CA-OG 3.37Å; G287-S322 PolarHBondContact O-N 3.33Å; E320-S322 PolarHBondContact O-N 3.17Å; S322-Y325 PolarHBondContact O-N 3.17Å; S322-Y325 VanDerWaalsContact O-N 3.07Å; S322-Y325 WeakPolarHBondContact OG-CD2 3.07Å
323	P	98.8	Very high	98.3	Very high	23 Å²	23	27.3 Å²	27.3	15%	0.149	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-55	-33.4	-176	-28.3	36.6	0	0	0	116.8	G89 F92 R96 V321 Y325 D326	G89-P323 WeakPolarHBondContact O-CD 3.2Å; F92-P323 HydrophobicContact CB-CB 4.4Å; F92-P323 HydrophobicContact CB-CG 3.82Å; R96-P323 HydrophobicContact CB-CB 4.15Å; R96-P323 HydrophobicContact CB-CG 3.54Å; R96-P323 HydrophobicContact CG-CB 4.16Å; R96-P323 HydrophobicContact CG-CG 4.03Å; V321-P323 WeakPolarHBondContact O-CD 3.42Å; P323-Y325 PolarHBondContact O-N 3Å; P323-D326 PolarHBondContact O-N 2.95Å
324	P	98.6	Very high	98.3	Very high	71 Å²	71	28.6 Å²	28.6	46%	0.461	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-57.5	-21.9	176.3	-27.4	36.9	0	0	0	114.4
325	Y	98.5	Very high	98.3	Very high	91 Å²	91	28.2 Å²	28.2	36%	0.357	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-105.4	6.6	178.2	-55.5	-81.9	0	0	0	112.8	R87 P88 S322 P323	R87-Y325 HydrophobicContact CB-CE2 3.77Å; R87-Y325 HydrophobicContact CG-CE1 4.35Å; R87-Y325 HydrophobicContact CG-CE2 4.36Å; P88-Y325 WeakPolarHBondContact O-CE2 3.35Å; S322-Y325 PolarHBondContact O-N 3.17Å; S322-Y325 VanDerWaalsContact O-N 3.07Å; S322-Y325 WeakPolarHBondContact OG-CD2 3.07Å; P323-Y325 PolarHBondContact O-N 3Å
326	D	97.9	Very high	98.3	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	15%	0.154	C	C	.	.			trans	-120.1	68.1	178	-173.5	17.2	0	0	0	111.3	P323 S328 G329 N330 T331 A332	P323-D326 PolarHBondContact O-N 2.95Å; D326-S328 PolarHBondContact O-N 2.81Å; D326-G329 VanDerWaalsContact CG-CA 3.49Å; D326-G329 PolarHBondContact O-N 3.01Å; D326-G329 PolarHBondContact OD1-N 2.59Å; D326-G329 VanDerWaalsContact OD1-N 3.13Å; D326-G329 WeakPolarHBondContact OD2-CA 3.5Å; D326-N330 PolarHBondContact OD1-N 3.43Å; D326-N330 PolarHBondContact OD2-N 2.83Å; D326-T331 VanDerWaalsContact CG-N 3.34Å; D326-T331 PolarHBondContact OD1-N 2.95Å; D326-T331 WeakPolarHBondContact OD2-CA 3.46Å; D326-T331 VanDerWaalsContact OD2-CB 3.25Å; D326-T331 WeakPolarHBondContact OD2-CB 3.1Å; D326-T331 PolarHBondContact OD2-N 2.92Å; D326-A332 PolarHBondContact OD2-N 3.37Å
327	L	91.9	Very high	98.3	Very high	174 Å²	174	31.5 Å²	31.5	91%	0.911	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-29.8	-174.7	-64.6	177.5	0	0	0	113.7
328	S	96.4	Very high	98.3	Very high	67 Å²	67	31.7 Å²	31.7	47%	0.469	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-17.7	-178.3	62.2	0	0	0	0	114.7	D326 N330	D326-S328 PolarHBondContact O-N 2.81Å; S328-N330 VanDerWaalsContact C-N 3.32Å; S328-N330 WeakPolarHBondContact OG-CB 3.26Å; S328-N330 PolarHBondContact OG-N 2.8Å; S328-N330 PolarHBondContact OG-ND2 3.41Å
329	G	97.8	Very high	98.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	80.2	5.5	-168.3	0	0	0	0	0	114.9	D326 T331 A332 L333	D326-G329 VanDerWaalsContact CG-CA 3.49Å; D326-G329 PolarHBondContact O-N 3.01Å; D326-G329 PolarHBondContact OD1-N 2.59Å; D326-G329 VanDerWaalsContact OD1-N 3.13Å; D326-G329 WeakPolarHBondContact OD2-CA 3.5Å; G329-T331 VanDerWaalsContact C-N 3.33Å; G329-T331 PolarHBondContact O-N 3.38Å; G329-A332 PolarHBondContact O-N 2.92Å; G329-L333 WeakPolarHBondContact O-CB 3.33Å; G329-L333 PolarHBondContact O-N 3.1Å
330	N	98.3	Very high	98.3	Very high	95 Å²	95	32.3 Å²	32.3	51%	0.508	18%	0.175	S	C	.	.	H	α-helix	trans	-65.1	-35.5	-176.9	-79.3	-21.4	0	0	0	112.8	D326 S328 L334	D326-N330 PolarHBondContact OD1-N 3.43Å; D326-N330 PolarHBondContact OD2-N 2.83Å; S328-N330 VanDerWaalsContact C-N 3.32Å; S328-N330 WeakPolarHBondContact OG-CB 3.26Å; S328-N330 PolarHBondContact OG-N 2.8Å; S328-N330 PolarHBondContact OG-ND2 3.41Å; N330-L334 VanDerWaalsContact O-CB 3.29Å; N330-L334 WeakPolarHBondContact O-CB 3.46Å; N330-L334 PolarHBondContact O-N 2.88Å
331	T	98.9	Very high	98.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68.4	-43.6	177	-50.3	0	0	0	0	110.1	I277 A285 P286 G287 V321 D326 G329 L333 L334 A335	I277-T331 HydrophobicContact CG1-CG2 3.66Å; I277-T331 HydrophobicContact CG2-CG2 4.33Å; A285-T331 HydrophobicContact CB-CG2 3.96Å; P286-T331 VanDerWaalsContact CD-OG1 3.28Å; P286-T331 WeakPolarHBondContact CD-OG1 3.41Å; G287-T331 PolarHBondContact N-OG1 3.27Å; V321-T331 HydrophobicContact CG1-CG2 4.46Å; D326-T331 VanDerWaalsContact CG-N 3.34Å; D326-T331 PolarHBondContact OD1-N 2.95Å; D326-T331 WeakPolarHBondContact OD2-CA 3.46Å; D326-T331 VanDerWaalsContact OD2-CB 3.25Å; D326-T331 WeakPolarHBondContact OD2-CB 3.1Å; D326-T331 PolarHBondContact OD2-N 2.92Å; G329-T331 VanDerWaalsContact C-N 3.33Å; G329-T331 PolarHBondContact O-N 3.38Å; T331-L333 PolarHBondContact O-N 3.32Å; T331-L334 WeakPolarHBondContact O-CB 3.36Å; T331-L334 PolarHBondContact O-N 3.03Å; T331-A335 WeakPolarHBondContact O-CB 3.4Å; T331-A335 PolarHBondContact O-N 3.32Å
332	A	98.8	Very high	98.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.1	-38	176.3	0	0	0	0	0	113	R96 I97 E100 V321 D326 G329 A335 A336	R96-A332 HydrophobicContact CB-CB 4.01Å; R96-A332 HydrophobicContact CG-CB 3.46Å; R96-A332 VanDerWaalsContact CG-CB 3.46Å; I97-A332 HydrophobicContact CG1-CB 4.38Å; E100-A332 HydrophobicContact CB-CB 4.43Å; E100-A332 HydrophobicContact CG-CB 3.94Å; V321-A332 HydrophobicContact CG1-CB 4.26Å; D326-A332 PolarHBondContact OD2-N 3.37Å; G329-A332 PolarHBondContact O-N 2.92Å; A332-A335 PolarHBondContact O-N 3.05Å; A332-A336 WeakPolarHBondContact O-CB 3.46Å; A332-A336 PolarHBondContact O-N 3.17Å
333	L	98.8	Very high	98.3	Very high	37 Å²	37	33 Å²	33	19%	0.194	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-45	172.6	175.3	59.3	0	0	0	111.8	E100 M103 G329 T331 A335 A336 N337	E100-L333 HydrophobicContact CB-CB 4.07Å; E100-L333 HydrophobicContact CB-CD1 4.44Å; E100-L333 HydrophobicContact CG-CB 4.44Å; M103-L333 HydrophobicContact CB-CD1 4.29Å; M103-L333 HydrophobicContact CE-CB 4.47Å; M103-L333 HydrophobicContact CE-CD1 3.35Å; M103-L333 HydrophobicContact CE-CD2 3.31Å; M103-L333 HydrophobicContact CE-CG 3.83Å; G329-L333 WeakPolarHBondContact O-CB 3.33Å; G329-L333 PolarHBondContact O-N 3.1Å; T331-L333 PolarHBondContact O-N 3.32Å; L333-A335 VanDerWaalsContact C-N 3.32Å; L333-A335 PolarHBondContact O-N 2.79Å; L333-A336 PolarHBondContact O-N 3.02Å; L333-N337 WeakPolarHBondContact CD1-ND2 3.32Å; L333-N337 PolarHBondContact O-N 3.28Å; L333-N337 PolarHBondContact O-ND2 3.12Å
334	L	98.8	Very high	98.3	Very high	28 Å²	28	32 Å²	32	15%	0.147	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-47	177.2	-179.3	54.3	0	0	0	110.4	I277 L280 A285 P298 N330 T331 A336 N337 L338	I277-L334 HydrophobicContact CD1-CG 4.43Å; L280-L334 HydrophobicContact CD1-CD1 4.44Å; L280-L334 HydrophobicContact CD1-CD2 3.38Å; L280-L334 HydrophobicContact CD1-CG 3.95Å; A285-L334 HydrophobicContact CB-CD2 4.46Å; P298-L334 HydrophobicContact CB-CD1 4.22Å; P298-L334 HydrophobicContact CG-CD1 4.4Å; N330-L334 VanDerWaalsContact O-CB 3.29Å; N330-L334 WeakPolarHBondContact O-CB 3.46Å; N330-L334 PolarHBondContact O-N 2.88Å; T331-L334 WeakPolarHBondContact O-CB 3.36Å; T331-L334 PolarHBondContact O-N 3.03Å; L334-A336 PolarHBondContact O-N 3.26Å; L334-N337 PolarHBondContact O-N 2.95Å; L334-N337 VanDerWaalsContact O-N 3.16Å; L334-L338 HydrophobicContact CD1-CD1 4.48Å; L334-L338 HydrophobicContact CD1-CG 4.47Å; L334-L338 HydrophobicContact CG-CD1 4.35Å; L334-L338 WeakPolarHBondContact O-CG 3.36Å; L334-L338 PolarHBondContact O-N 3.25Å
335	A	98.9	Very high	98.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-56.8	-46	173.8	0	0	0	0	0	113.2	I97 I277 L318 V321 T331 A332 L333 N337 L338 L339	I97-A335 HydrophobicContact CD1-CB 4.03Å; I97-A335 HydrophobicContact CG1-CB 3.96Å; I277-A335 HydrophobicContact CD1-CB 4.34Å; L318-A335 HydrophobicContact CD1-CB 3.82Å; L318-A335 WeakPolarHBondContact CD1-O 3.45Å; L318-A335 HydrophobicContact CD2-CB 3.42Å; L318-A335 VanDerWaalsContact CD2-CB 3.42Å; L318-A335 HydrophobicContact CG-CB 4.29Å; V321-A335 HydrophobicContact CG2-CB 3.66Å; T331-A335 WeakPolarHBondContact O-CB 3.4Å; T331-A335 PolarHBondContact O-N 3.32Å; A332-A335 PolarHBondContact O-N 3.05Å; L333-A335 VanDerWaalsContact C-N 3.32Å; L333-A335 PolarHBondContact O-N 2.79Å; A335-N337 VanDerWaalsContact C-N 3.29Å; A335-N337 PolarHBondContact O-N 3.07Å; A335-L338 PolarHBondContact O-N 2.85Å; A335-L339 PolarHBondContact O-N 3.07Å
336	A	98.9	Very high	98.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.3	-40.2	176.9	0	0	0	0	0	112	I97 L104 A332 L333 L334 F340	I97-A336 HydrophobicContact CG2-CB 4.08Å; L104-A336 HydrophobicContact CD1-CB 3.96Å; L104-A336 WeakPolarHBondContact CD1-O 3.33Å; A332-A336 WeakPolarHBondContact O-CB 3.46Å; A332-A336 PolarHBondContact O-N 3.17Å; L333-A336 PolarHBondContact O-N 3.02Å; L334-A336 PolarHBondContact O-N 3.26Å; A336-F340 PolarHBondContact O-N 3.13Å; A336-F340 VanDerWaalsContact O-N 3.12Å
337	N	98.9	Very high	98.2	Very high	70 Å²	70	26.1 Å²	26.1	37%	0.374	15%	0.145	S	C	.	.	H	α-helix	trans	-66.4	-42.4	176.1	-79.4	-91.3	0	0	0	112.3	L104 L333 L334 A335 F340 E341	L104-N337 HydrophobicContact CD2-CB 4.3Å; L104-N337 VanDerWaalsContact CD2-OD1 3.32Å; L104-N337 WeakPolarHBondContact CD2-OD1 3.48Å; L333-N337 WeakPolarHBondContact CD1-ND2 3.32Å; L333-N337 PolarHBondContact O-N 3.28Å; L333-N337 PolarHBondContact O-ND2 3.12Å; L334-N337 PolarHBondContact O-N 2.95Å; L334-N337 VanDerWaalsContact O-N 3.16Å; A335-N337 VanDerWaalsContact C-N 3.29Å; A335-N337 PolarHBondContact O-N 3.07Å; N337-F340 WeakPolarHBondContact O-CB 3.36Å; N337-F340 PolarHBondContact O-N 3.04Å; N337-E341 WeakPolarHBondContact O-CG 3.5Å; N337-E341 PolarHBondContact O-N 2.95Å
338	L	98.9	Very high	98.4	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-65.6	-39.9	178.1	-64.7	173.8	0	0	0	111.7	F275 I277 L280 A301 L302 I305 L318 L334 A335 F340 E341 M342	F275-L338 HydrophobicContact CD1-CD1 4.3Å; F275-L338 HydrophobicContact CE1-CD1 3.77Å; F275-L338 HydrophobicContact CZ-CD1 3.9Å; I277-L338 HydrophobicContact CD1-CD1 4.05Å; L280-L338 HydrophobicContact CD1-CD1 4.22Å; A301-L338 HydrophobicContact CB-CD2 4.01Å; L302-L338 HydrophobicContact CD2-CD2 4.44Å; I305-L338 HydrophobicContact CD1-CB 3.96Å; I305-L338 HydrophobicContact CD1-CD2 3.63Å; I305-L338 HydrophobicContact CD1-CG 4.32Å; L318-L338 HydrophobicContact CD1-CB 3.67Å; L318-L338 HydrophobicContact CD1-CD1 4.11Å; L334-L338 HydrophobicContact CD1-CD1 4.48Å; L334-L338 HydrophobicContact CD1-CG 4.47Å; L334-L338 HydrophobicContact CG-CD1 4.35Å; L334-L338 WeakPolarHBondContact O-CG 3.36Å; L334-L338 PolarHBondContact O-N 3.25Å; A335-L338 PolarHBondContact O-N 2.85Å; L338-F340 VanDerWaalsContact C-N 3.3Å; L338-F340 PolarHBondContact O-N 3.07Å; L338-E341 WeakPolarHBondContact O-CB 3.13Å; L338-E341 PolarHBondContact O-N 2.76Å; L338-E341 VanDerWaalsContact O-N 3.15Å; L338-M342 WeakPolarHBondContact O-CG 3.31Å; L338-M342 PolarHBondContact O-N 3.4Å
339	L	98.9	Very high	98.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.1	-37	172.4	-79.4	163.5	0	0	0	112.6	M59 F75 I97 L158 L318 A335 M342 L343	M59-L339 HydrophobicContact CE-CB 3.92Å; M59-L339 HydrophobicContact CE-CD1 4.09Å; F75-L339 HydrophobicContact CE1-CB 4.28Å; I97-L339 HydrophobicContact CG2-CD1 3.83Å; L158-L339 HydrophobicContact CD1-CD1 4.46Å; L158-L339 HydrophobicContact CG-CD1 3.84Å; L318-L339 HydrophobicContact CB-CD1 4.34Å; L318-L339 HydrophobicContact CB-CD2 3.94Å; L318-L339 HydrophobicContact CB-CG 3.95Å; L318-L339 HydrophobicContact CD1-CG 4.17Å; A335-L339 PolarHBondContact O-N 3.07Å; L339-M342 HydrophobicContact CD2-SD 4.42Å; L339-M342 PolarHBondContact O-N 3Å; L339-L343 PolarHBondContact O-N 2.85Å
340	F	98.9	Very high	98.2	Very high	13 Å²	13	26.4 Å²	26.4	6%	0.057	14%	0.138	C	C	.	.	H	α-helix	trans	-66.9	-38	173.5	177.6	-106.4	0	0	0	112.4	M60 L104 R105 N108 P115 F116 A336 N337 L338 L343 C344	M60-F340 HydrophobicContact CE-CD2 3.59Å; M60-F340 HydrophobicContact CE-CE2 3.89Å; M60-F340 HydrophobicContact CE-CG 4.47Å; M60-F340 HydrophobicContact SD-CB 4.49Å; M60-F340 HydrophobicContact SD-CD2 3.76Å; L104-F340 HydrophobicContact CD1-CB 4.19Å; L104-F340 HydrophobicContact CD2-CB 4.36Å; R105-F340 WeakPolarHBondContact O-CE2 3.39Å; N108-F340 HydrophobicContact CB-CE1 4.13Å; P115-F340 HydrophobicContact CG-CE2 3.86Å; P115-F340 HydrophobicContact CG-CZ 4.22Å; F116-F340 AromaticContact CE2-CE2 3.98Å; F116-F340 HydrophobicContact CE2-CE2 3.98Å; A336-F340 PolarHBondContact O-N 3.13Å; A336-F340 VanDerWaalsContact O-N 3.12Å; N337-F340 WeakPolarHBondContact O-CB 3.36Å; N337-F340 PolarHBondContact O-N 3.04Å; L338-F340 VanDerWaalsContact C-N 3.3Å; L338-F340 PolarHBondContact O-N 3.07Å; F340-L343 HydrophobicContact CD2-CD2 4.4Å; F340-L343 WeakPolarHBondContact O-CB 3.36Å; F340-L343 PolarHBondContact O-N 3.28Å; F340-C344 PolarHBondContact O-N 3.21Å; F340-C344 PolarHBondContact O-SG 3Å
341	E	98.8	Very high	97.9	Very high	18 Å²	18	25.2 Å²	25.2	8%	0.084	13%	0.134	C	C	.	.	H	α-helix	trans	-66.3	-38.4	174.5	-68.2	-80.9	172.5	0	0	111.5	N108 L302 I305 R306 N337 L338 C344 A345	N108-E341 PolarHBondContact ND2-OE1 3.07Å; N108-E341 PolarHBondContact ND2-OE2 2.89Å; L302-E341 HydrophobicContact CD2-CB 4.43Å; L302-E341 HydrophobicContact CD2-CG 3.54Å; I305-E341 HydrophobicContact CG2-CB 3.76Å; R306-E341 WeakPolarHBondContact CG-OE2 3.08Å; R306-E341 IonicContact CZ-OE1 3.28Å; R306-E341 IonicContact CZ-OE2 3.75Å; R306-E341 IonicContact NE-OE1 3.04Å; R306-E341 PolarHBondContact NE-OE1 2.87Å; R306-E341 IonicContact NE-OE2 3.99Å; R306-E341 PolarHBondContact NE-OE2 3.17Å; R306-E341 IonicContact NH2-OE1 2.91Å; R306-E341 PolarHBondContact NH2-OE1 2.74Å; R306-E341 IonicContact NH2-OE2 2.66Å; N337-E341 WeakPolarHBondContact O-CG 3.5Å; N337-E341 PolarHBondContact O-N 2.95Å; L338-E341 WeakPolarHBondContact O-CB 3.13Å; L338-E341 PolarHBondContact O-N 2.76Å; L338-E341 VanDerWaalsContact O-N 3.15Å; E341-C344 WeakPolarHBondContact O-CB 3.47Å; E341-C344 PolarHBondContact O-N 3.23Å; E341-A345 PolarHBondContact O-N 3.32Å
342	M	98.9	Very high	97.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.9	-41.4	172.1	-66.6	174.8	-168.3	0	0	112.1	L156 I273 F275 I305 C316 L338 L339 C344 A345 L346	L156-M342 HydrophobicContact CD2-CB 4.08Å; I273-M342 HydrophobicContact CG2-CE 4.27Å; F275-M342 HydrophobicContact CB-CE 3.35Å; F275-M342 HydrophobicContact CD2-CE 3.92Å; F275-M342 HydrophobicContact CG-CE 3.84Å; I305-M342 HydrophobicContact CD1-CE 3.99Å; I305-M342 HydrophobicContact CD1-CG 4.26Å; I305-M342 HydrophobicContact CG1-CE 4.48Å; I305-M342 HydrophobicContact CG1-CG 4.48Å; I305-M342 HydrophobicContact CG2-CG 3.92Å; C316-M342 HydrophobicContact CB-SD 3.83Å; L338-M342 WeakPolarHBondContact O-CG 3.31Å; L338-M342 PolarHBondContact O-N 3.4Å; L339-M342 HydrophobicContact CD2-SD 4.42Å; L339-M342 PolarHBondContact O-N 3Å; M342-C344 VanDerWaalsContact C-N 3.27Å; M342-C344 PolarHBondContact O-N 3.06Å; M342-A345 PolarHBondContact O-N 3.46Å; M342-A345 VanDerWaalsContact O-N 3.12Å; M342-L346 PolarHBondContact O-N 3.15Å
343	L	98.8	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.1	-41.6	172.6	173.2	64.6	0	0	0	111.2	F75 P115 F116 L119 V121 L156 L339 F340 A345 L346	F75-L343 HydrophobicContact CE2-CD2 4.22Å; F75-L343 HydrophobicContact CZ-CB 4.39Å; F75-L343 HydrophobicContact CZ-CD2 4.01Å; P115-L343 HydrophobicContact CB-CD1 4.37Å; P115-L343 HydrophobicContact CB-CD2 3.95Å; P115-L343 HydrophobicContact CB-CG 3.76Å; P115-L343 HydrophobicContact CG-CD2 4.26Å; P115-L343 HydrophobicContact CG-CG 4.4Å; F116-L343 HydrophobicContact CE1-CD2 3.85Å; F116-L343 HydrophobicContact CZ-CD2 3.75Å; L119-L343 HydrophobicContact CD1-CD1 4.22Å; V121-L343 HydrophobicContact CG1-CD1 4.47Å; V121-L343 HydrophobicContact CG2-CD1 4.1Å; L156-L343 HydrophobicContact CD1-CB 4.41Å; L156-L343 HydrophobicContact CD1-CD1 3.83Å; L156-L343 HydrophobicContact CD2-CB 3.96Å; L339-L343 PolarHBondContact O-N 2.85Å; F340-L343 HydrophobicContact CD2-CD2 4.4Å; F340-L343 WeakPolarHBondContact O-CB 3.36Å; F340-L343 PolarHBondContact O-N 3.28Å; L343-A345 VanDerWaalsContact C-N 3.29Å; L343-A345 PolarHBondContact O-N 3.43Å; L343-L346 HydrophobicContact CD1-CD1 4.05Å; L343-L346 WeakPolarHBondContact O-CB 3.46Å; L343-L346 PolarHBondContact O-N 3.21Å
344	C	98.6	Very high	97.3	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.014	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-31.4	177	-67.4	0	0	0	0	112.9	A113 Q309 F340 E341 M342 L346 V349	A113-C344 HydrophobicContact CB-CB 3.8Å; Q309-C344 PolarHBondContact OE1-O 2.84Å; F340-C344 PolarHBondContact O-N 3.21Å; F340-C344 PolarHBondContact O-SG 3Å; E341-C344 WeakPolarHBondContact O-CB 3.47Å; E341-C344 PolarHBondContact O-N 3.23Å; M342-C344 VanDerWaalsContact C-N 3.27Å; M342-C344 PolarHBondContact O-N 3.06Å; C344-L346 VanDerWaalsContact C-N 3.28Å; C344-L346 PolarHBondContact O-N 2.81Å; C344-V349 WeakPolarHBondContact O-CG1 3.48Å
345	A	97.7	Very high	97.2	Very high	2 Å²	2	34.4 Å²	34.4	2%	0.017	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-6.8	179.7	0	0	0	0	0	114.2	C308 E341 M342 L343	C308-A345 HydrophobicContact CB-CB 4.43Å; E341-A345 PolarHBondContact O-N 3.32Å; M342-A345 PolarHBondContact O-N 3.46Å; M342-A345 VanDerWaalsContact O-N 3.12Å; L343-A345 VanDerWaalsContact C-N 3.29Å; L343-A345 PolarHBondContact O-N 3.43Å
346	L	98.6	Very high	97.1	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	20%	0.201	C	C	.	.	S	Bend	trans	-65.4	151.5	-178.7	-66.5	-168.2	0	0	0	112.9	A73 L119 I154 L156 V313 M342 L343 C344 V349	A73-L346 HydrophobicContact CB-CD1 3.71Å; L119-L346 HydrophobicContact CD1-CB 4.23Å; L119-L346 HydrophobicContact CD1-CD1 4.21Å; I154-L346 HydrophobicContact CB-CD1 4.26Å; I154-L346 HydrophobicContact CD1-CD1 4.42Å; I154-L346 HydrophobicContact CG2-CD1 3.84Å; I154-L346 HydrophobicContact CG2-CD2 3.83Å; I154-L346 HydrophobicContact CG2-CG 4.5Å; L156-L346 HydrophobicContact CD1-CD1 4.07Å; V313-L346 HydrophobicContact CB-CD2 4.09Å; V313-L346 HydrophobicContact CG1-CD2 3.72Å; M342-L346 PolarHBondContact O-N 3.15Å; L343-L346 HydrophobicContact CD1-CD1 4.05Å; L343-L346 WeakPolarHBondContact O-CB 3.46Å; L343-L346 PolarHBondContact O-N 3.21Å; C344-L346 VanDerWaalsContact C-N 3.28Å; C344-L346 PolarHBondContact O-N 2.81Å; L346-V349 HydrophobicContact CB-CG2 4.24Å; L346-V349 WeakPolarHBondContact O-CG2 3.48Å; L346-V349 PolarHBondContact O-N 2.67Å
347	P	97.2	Very high	97	Very high	37 Å²	37	38.8 Å²	38.8	24%	0.24	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	149	172	-24.4	34.2	0	0	0	112.2	V313 V349	V313-P347 VanDerWaalsContact O-CD 3.28Å; V313-P347 WeakPolarHBondContact O-CD 3.44Å; P347-V349 PolarHBondContact O-N 3.45Å
348	K	95.8	Very high	96.8	Very high	158 Å²	158	36.7 Å²	36.7	69%	0.687	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	-3.9	-178.2	-43.5	168.3	-176.6	168.3	0	115.8	D72 S118 L119 T350	D72-K348 IonicContact OD1-NZ 3.37Å; D72-K348 PolarHBondContact OD1-NZ 2.63Å; S118-K348 WeakPolarHBondContact CB-O 3.33Å; L119-K348 HydrophobicContact CD2-CB 4.05Å; L119-K348 HydrophobicContact CD2-CD 4.43Å; K348-T350 PolarHBondContact O-N 3.23Å
349	V	97.3	Very high	96.7	Very high	13 Å²	13	39.1 Å²	39.1	8%	0.079	22%	0.216	C	C	.	.			trans	-66.5	123	170.3	177.4	0	0	0	0	109.5	A113 P115 L119 C344 L346 P347	A113-V349 HydrophobicContact CB-CG1 4.02Å; P115-V349 HydrophobicContact CB-CG1 4.38Å; P115-V349 HydrophobicContact CB-CG2 4.37Å; L119-V349 HydrophobicContact CD1-CG2 3.65Å; L119-V349 HydrophobicContact CG-CG2 4.09Å; C344-V349 WeakPolarHBondContact O-CG1 3.48Å; L346-V349 HydrophobicContact CB-CG2 4.24Å; L346-V349 WeakPolarHBondContact O-CG2 3.48Å; L346-V349 PolarHBondContact O-N 2.67Å; P347-V349 PolarHBondContact O-N 3.45Å
350	T	93.9	Very high	96.5	Very high	75 Å²	75	42.1 Å²	42.1	46%	0.46	23%	0.233	S	C	.	.			trans	-76	135.4	176.2	-55.9	0	0	0	0	109.6	A113 L114 S118 K348 V352	A113-T350 WeakPolarHBondContact CA-O 3.18Å; L114-T350 PolarHBondContact N-O 2.89Å; S118-T350 PolarHBondContact OG-N 3.05Å; S118-T350 PolarHBondContact OG-OG1 3.47Å; K348-T350 PolarHBondContact O-N 3.23Å; T350-V352 HydrophobicContact CG2-CG1 4.19Å
351	T	91.8	Very high	96.3	Very high	70 Å²	70	44.5 Å²	44.5	43%	0.429	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-116.9	127.9	171.2	53.1	0	0	0	0	108.7	G112 A113	G112-T351 WeakPolarHBondContact O-CA 3.36Å; A113-T351 HydrophobicContact CB-CG2 4.15Å
352	V	88.3	Confident	96.1	Very high	156 Å²	156	46.9 Å²	46.9	95%	0.945	26%	0.262	S	S	*	.			trans	-110.3	0	-177.6	-66.7	0	0	0	0	113.7	G112 L114 T350	G112-V352 PolarHBondContact O-N 3.13Å; L114-V352 HydrophobicContact CD1-CG1 3.9Å; L114-V352 HydrophobicContact CD1-CG2 3.95Å; L114-V352 HydrophobicContact CG-CG2 4.4Å; T350-V352 HydrophobicContact CG2-CG1 4.19Å

Retrieved 352 of 352 residues in 573 ms (Link to these results)

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