A0A093I2V8_STRCA Loading...

Creatine kinase S-type, mitochondrial

Reversibly catalyzes the transfer of phosphate between ATP and various phosphogens (e.g. creatine phosphate). Creatine kinase isoenzymes play a central role in energy transduction in tissues with large, fluctuating energy demands, such as skeletal muscle, heart, brain and spermatozoa.

AlphaFold DB , UniProt , Accession A0A093I2V8, Species STRCA (Struthio camelus australis), Gene n/a, Length 419 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	36.8	Very low	31.8	Very low	245 Å²	245	134.6 Å²	134.6	100%	1.207	78%	0.776	S	S	*	*				0	129.6	0	-73.9	-161.7	-81.6	0	0	107.8
2	A	31	Very low	31.8	Very low	100 Å²	100	145.3 Å²	145.3	83%	0.826	79%	0.794	S	S	*	*			trans	-37	122.6	-169.9	0	0	0	0	0	114.9
3	S	29.1	Very low	31.6	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	80%	0.797	S	S	*	*				71.6	144.1	86.2	167.9	0	0	0	0	114.1
4	T	37.1	Very low	31.6	Very low	106 Å²	106	137.5 Å²	137.5	65%	0.65	80%	0.8	S	S	*	*			cis	177.9	156.3	-30.5	-21.2	0	0	0	0	104.9
5	F	32.2	Very low	31.6	Very low	185 Å²	185	134.7 Å²	134.7	81%	0.811	80%	0.799	S	S	*	*			trans	74.8	146.3	151.2	-89.7	-120.3	0	0	0	119.3
6	C	31.9	Very low	31.5	Very low	80 Å²	80	132.2 Å²	132.2	54%	0.541	80%	0.798	S	S	.	*			cis	-171.2	146.6	-8.2	-133.5	0	0	0	0	111.3
7	R	32.7	Very low	31.5	Very low	211 Å²	211	133.6 Å²	133.6	80%	0.796	80%	0.799	S	S	*	*				56.7	118	127.4	-80.6	-172.7	-169.6	-177.8	4.4	124.3
8	L	29.6	Very low	31.5	Very low	130 Å²	130	137.6 Å²	137.6	68%	0.681	80%	0.804	S	S	*	*				94.5	142.7	101.7	-130.5	150.5	0	0	0	120.8
9	L	30.4	Very low	31.5	Very low	155 Å²	155	135.2 Å²	135.2	81%	0.812	80%	0.802	S	S	*	*			trans	103.8	138.8	158.7	-61	165.7	0	0	0	116.1
10	A	31.3	Very low	31.4	Very low	95 Å²	95	133.2 Å²	133.2	79%	0.785	80%	0.801	S	S	*	*			cis	170.7	150.6	-25.1	0	0	0	0	0	106.6
11	G	27.8	Very low	31.6	Very low	65 Å²	65	132.2 Å²	132.2	67%	0.67	81%	0.808	S	S	*	*			trans	136.8	85.1	161.2	0	0	0	0	0	113.9
12	R	31.9	Very low	31.2	Very low	263 Å²	263	123.8 Å²	123.8	99%	0.992	78%	0.784	S	S	*	*				59.5	124	94.9	-65.2	-177.2	117.1	-175.3	2	112.3
13	G	29.5	Very low	31.3	Very low	80 Å²	80	126 Å²	126	83%	0.825	79%	0.787	S	S	*	*			cis	-173.8	-178.8	5.7	0	0	0	0	0	104.8
14	A	30.4	Very low	31.1	Very low	101 Å²	101	124.6 Å²	124.6	84%	0.835	79%	0.79	S	S	*	*			cis	-154.4	148.3	2.6	0	0	0	0	0	105.7
15	A	33	Very low	30.9	Very low	96 Å²	96	123.5 Å²	123.5	79%	0.793	79%	0.792	S	S	*	*			trans	-71.1	137	166.1	0	0	0	0	0	109.6
16	A	29.9	Very low	30.9	Very low	94 Å²	94	122.6 Å²	122.6	78%	0.777	79%	0.794	S	S	*	*			trans	-137.1	99.9	153.4	0	0	0	0	0	107.7
17	L	31.2	Very low	31	Very low	156 Å²	156	125.1 Å²	125.1	82%	0.817	81%	0.808	S	S	*	*			trans	-62.6	126.6	161.6	-88	95.5	0	0	0	108.5
18	F	31.5	Very low	31.1	Very low	205 Å²	205	120.7 Å²	120.7	90%	0.899	80%	0.804	S	S	*	*			trans	-118.7	103.9	145.3	-98.6	-79.1	0	0	0	107.7
19	A	31.1	Very low	31.3	Very low	92 Å²	92	117.7 Å²	117.7	76%	0.76	80%	0.804	S	S	*	*			trans	-84.6	117.2	161.2	0	0	0	0	0	107.6
20	A	30.4	Very low	31.7	Very low	95 Å²	95	119.7 Å²	119.7	79%	0.785	80%	0.802	S	S	*	*			trans	-140	116.8	156.4	0	0	0	0	0	107.4
21	A	34.2	Very low	31.9	Very low	114 Å²	114	123.1 Å²	123.1	94%	0.942	81%	0.807	S	S	*	*			trans	-62.8	135.5	-179.4	0	0	0	0	0	111.2
22	G	28.4	Very low	32.5	Very low	68 Å²	68	125.6 Å²	125.6	70%	0.701	80%	0.804	S	S	*	*			trans	-168.5	112.4	171.1	0	0	0	0	0	109	G24	G22-G24 PolarHBondContact O-N 3.26Å
23	T	32.9	Very low	32.6	Very low	147 Å²	147	120.9 Å²	120.9	90%	0.902	79%	0.793	S	S	*	*			trans	-34.2	113.2	177.2	42.1	0	0	0	0	113.6	A25	T23-A25 PolarHBondContact O-N 2.63Å
24	G	25	Very low	33.1	Very low	79 Å²	79	126.4 Å²	126.4	81%	0.814	80%	0.797	S	S	*	*			trans	-72.8	107.9	-179.9	0	0	0	0	0	112.3	G22	G22-G24 PolarHBondContact O-N 3.26Å
25	A	34.5	Very low	33.4	Very low	83 Å²	83	128.9 Å²	128.9	69%	0.686	79%	0.791	S	S	*	*			trans	-85.3	105.8	150.2	0	0	0	0	0	107.1	T23 T27	T23-A25 PolarHBondContact O-N 2.63Å; A25-T27 VanDerWaalsContact C-N 3.28Å; A25-T27 PolarHBondContact O-N 3.12Å
26	L	31.3	Very low	33.6	Very low	166 Å²	166	132 Å²	132	87%	0.869	80%	0.795	S	S	*	*			trans	-65.8	90.7	169	-88.6	160.3	0	0	0	108.4	T28	L26-T28 PolarHBondContact O-N 3.23Å
27	T	34.2	Very low	34.1	Very low	133 Å²	133	132.5 Å²	132.5	82%	0.816	79%	0.788	S	S	*	*			trans	-85	83.4	166.4	31.1	0	0	0	0	107.7	A25 G29	A25-T27 VanDerWaalsContact C-N 3.28Å; A25-T27 PolarHBondContact O-N 3.12Å; T27-G29 PolarHBondContact O-N 3.2Å
28	T	35	Very low	35	Very low	118 Å²	118	131.8 Å²	131.8	72%	0.724	79%	0.785	S	S	*	*			trans	-74.2	85	166.1	-46.8	0	0	0	0	107.6	L26 Y30	L26-T28 PolarHBondContact O-N 3.23Å; T28-Y30 PolarHBondContact O-N 2.99Å; T28-Y30 VanDerWaalsContact O-N 3.12Å
29	G	33.8	Very low	36.2	Very low	66 Å²	66	122.7 Å²	122.7	68%	0.68	75%	0.748	S	S	*	*			trans	-67.4	104	170.8	0	0	0	0	0	109.5	T27 L31	T27-G29 PolarHBondContact O-N 3.2Å; G29-L31 PolarHBondContact O-N 3.35Å; G29-L31 VanDerWaalsContact O-N 3.14Å
30	Y	38.4	Very low	38	Very low	197 Å²	197	121.7 Å²	121.7	77%	0.773	74%	0.739	S	S	*	*			trans	-77.6	94.7	171.3	-149.5	-99.1	0	0	0	107.8	T28 L32	T28-Y30 PolarHBondContact O-N 2.99Å; T28-Y30 VanDerWaalsContact O-N 3.12Å; Y30-L32 HydrophobicContact CD1-CD2 3.73Å; Y30-L32 HydrophobicContact CD1-CG 3.83Å; Y30-L32 HydrophobicContact CE1-CD2 3.54Å; Y30-L32 HydrophobicContact CE1-CG 4.19Å; Y30-L32 PolarHBondContact O-N 2.79Å
31	L	35.4	Very low	40	Very low	168 Å²	168	120.2 Å²	120.2	88%	0.88	72%	0.72	S	S	*	*			trans	-72.4	93.1	170.2	-79.1	165.6	0	0	0	108.3	G29 H33	G29-L31 PolarHBondContact O-N 3.35Å; G29-L31 VanDerWaalsContact O-N 3.14Å; L31-H33 PolarHBondContact O-N 2.61Å
32	L	40.4	Very low	42.2	Very low	117 Å²	117	119.2 Å²	119.2	61%	0.613	70%	0.696	S	S	*	*			trans	-68.9	99	164.3	-73.4	171.2	0	0	0	108.1	Y30	Y30-L32 HydrophobicContact CD1-CD2 3.73Å; Y30-L32 HydrophobicContact CD1-CG 3.83Å; Y30-L32 HydrophobicContact CE1-CD2 3.54Å; Y30-L32 HydrophobicContact CE1-CG 4.19Å; Y30-L32 PolarHBondContact O-N 2.79Å
33	H	34.6	Very low	44.8	Very low	164 Å²	164	123 Å²	123	76%	0.759	70%	0.695	S	S	*	*			trans	-69.5	136	168.3	-154.3	63.4	0	0	0	108.6	L31 Q35	L31-H33 PolarHBondContact O-N 2.61Å; H33-Q35 VanDerWaalsContact C-N 3.29Å; H33-Q35 PolarHBondContact O-N 3.32Å
34	Q	40	Very low	47.1	Very low	196 Å²	196	122.8 Å²	122.8	92%	0.916	68%	0.682	S	S	*	*			trans	-61	90.3	172.5	-80.6	-179.3	-23.2	0	0	109.7
35	Q	36	Very low	49.7	Very low	153 Å²	153	130 Å²	130	72%	0.715	69%	0.685	S	S	*	*			trans	-96.3	133.6	161.5	-73.2	-173.2	-23.5	0	0	107.6	H33 V37	H33-Q35 VanDerWaalsContact C-N 3.29Å; H33-Q35 PolarHBondContact O-N 3.32Å; Q35-V37 WeakPolarHBondContact O-CG2 3.32Å; Q35-V37 PolarHBondContact O-N 2.81Å
36	N	37.5	Very low	52.2	Low	161 Å²	161	129.5 Å²	129.5	86%	0.861	67%	0.667	S	S	*	*			trans	-53.5	106.6	161.1	-76.6	-29.8	0	0	0	106.9	N38	N36-N38 PolarHBondContact O-N 3.11Å; N36-N38 VanDerWaalsContact O-N 3.08Å
37	V	41.3	Very low	54.9	Low	104 Å²	104	129.2 Å²	129.2	63%	0.63	67%	0.665	S	S	*	*			trans	-72.6	102.9	-178.5	-165	0	0	0	0	106.3	Q35	Q35-V37 WeakPolarHBondContact O-CG2 3.32Å; Q35-V37 PolarHBondContact O-N 2.81Å
38	N	49.3	Very low	57.8	Low	142 Å²	142	128.7 Å²	128.7	76%	0.759	65%	0.652	S	S	*	*			trans	-82.2	119.5	160.3	-79.6	-38.5	0	0	0	106	N36 A40	N36-N38 PolarHBondContact O-N 3.11Å; N36-N38 VanDerWaalsContact O-N 3.08Å; N38-A40 PolarHBondContact O-N 2.66Å; N38-A40 VanDerWaalsContact O-N 3.11Å
39	A	56.7	Low	60.7	Low	14 Å²	14	126.8 Å²	126.8	12%	0.116	64%	0.642	C	S	.	*			trans	-61	118.1	177.5	0	0	0	0	0	109.8	V41 E114 E117 V118	A39-V41 PolarHBondContact O-N 3.12Å; A39-E114 HydrophobicContact CB-CB 4.25Å; A39-E114 HydrophobicContact CB-CG 4.23Å; A39-E117 HydrophobicContact CB-CB 4.34Å; A39-E117 VanDerWaalsContact CB-CD 3.45Å; A39-E117 HydrophobicContact CB-CG 4.16Å; A39-E117 WeakPolarHBondContact CB-OE2 3.41Å; A39-E117 PolarHBondContact N-OE1 3.05Å; A39-V118 HydrophobicContact CB-CG2 3.94Å
40	A	67.8	Low	63.7	Low	70 Å²	70	125.4 Å²	125.4	58%	0.579	62%	0.621	S	S	*	*			trans	-69.6	97.2	173.1	0	0	0	0	0	109.1	N38 Q42	N38-A40 PolarHBondContact O-N 2.66Å; N38-A40 VanDerWaalsContact O-N 3.11Å; A40-Q42 PolarHBondContact O-N 3.41Å
41	V	72.8	Confident	66.5	Low	64 Å²	64	120.5 Å²	120.5	39%	0.388	62%	0.615	S	S	.	*			trans	-71.6	124.4	178.2	-178.6	0	0	0	0	109.4	A39 K79 V118	A39-V41 PolarHBondContact O-N 3.12Å; V41-K79 HydrophobicContact CG1-CB 3.98Å; V41-K79 HydrophobicContact CG1-CD 3.92Å; V41-K79 HydrophobicContact CG1-CG 3.91Å; V41-V118 HydrophobicContact CG1-CG1 4.26Å; V41-V118 HydrophobicContact CG2-CG1 4.25Å; V41-V118 HydrophobicContact CG2-CG2 4.08Å
42	Q	81.9	Confident	69.4	Low	93 Å²	93	115.6 Å²	115.6	44%	0.435	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.7	140.5	169.1	-63.9	177.2	27.9	0	0	109.2	A40 K79 M80 P82	A40-Q42 PolarHBondContact O-N 3.41Å; Q42-K79 CarbonylContact O-C 3.54Å; Q42-M80 HydrophobicContact CB-CB 4.31Å; Q42-M80 HydrophobicContact CB-CE 3.94Å; Q42-M80 PolarHBondContact N-O 3.38Å; Q42-M80 VanDerWaalsContact N-O 3.14Å; Q42-M80 PolarHBondContact O-N 3.03Å; Q42-P82 PolarHBondContact NE2-O 3.08Å
43	E	81.8	Confident	72.1	Confident	147 Å²	147	113.1 Å²	113.1	69%	0.687	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.6	132.1	174	-71.7	-171.9	174	0	0	110.5	D78 K79	E43-D78 WeakPolarHBondContact CA-O 3.17Å; E43-K79 HydrophobicContact CG-CG 4.36Å
44	K	81.1	Confident	75.2	Confident	144 Å²	144	108.7 Å²	108.7	63%	0.626	56%	0.563	S	S	*	*			trans	-126.2	101.3	171.6	-175.2	177.7	-179.2	179.8	0	109	K46 D78 M80	K44-K46 PolarHBondContact O-N 3.35Å; K44-D78 PolarHBondContact N-O 3.15Å; K44-M80 HydrophobicContact CB-CE 3.62Å; K44-M80 HydrophobicContact CB-SD 4.06Å
45	R	79.4	Confident	78	Confident	230 Å²	230	100.2 Å²	100.2	87%	0.868	53%	0.526	S	S	*	.			trans	-60	119.7	177.7	-170.3	174.3	179.8	178	0.5	110.3
46	K	86.6	Confident	80.9	Confident	72 Å²	72	97.3 Å²	97.3	31%	0.313	52%	0.515	S	S	.	.			trans	-84.4	162.7	175.9	-69.9	176.1	173.1	-174.5	0	111.2	K44 R77 D78 D88	K44-K46 PolarHBondContact O-N 3.35Å; K46-R77 VanDerWaalsContact CB-NH2 3.35Å; K46-R77 HydrophobicContact CD-CG 4.27Å; K46-D78 PolarHBondContact N-OD2 3.2Å; K46-D88 IonicContact NZ-OD2 3.09Å; K46-D88 PolarHBondContact NZ-OD2 3.42Å
47	L	89.9	Confident	83.8	Confident	160 Å²	160	90.9 Å²	90.9	84%	0.838	48%	0.48	S	S	*	.	S	Bend	trans	-65.3	-45.4	-174	-179	63.9	0	0	0	113.1
48	F	94.6	Very high	86.5	Confident	123 Å²	123	95.9 Å²	95.9	54%	0.539	49%	0.488	S	S	.	.	S	Bend	trans	-92.1	151.7	-176.4	-68.5	-78.3	0	0	0	111.9	A52 R77	F48-A52 HydrophobicContact CB-CB 4.13Å; F48-R77 PolarHBondContact O-NH1 3.2Å; F48-R77 PolarHBondContact O-NH2 3.08Å
49	P	95.6	Very high	88.7	Confident	78 Å²	78	98.2 Å²	98.2	51%	0.506	49%	0.491	S	S	.	.			trans	-57.9	146.5	173.1	26.4	-34.9	0	0	0	110.2	S51 A52	P49-S51 PolarHBondContact O-N 2.86Å; P49-S51 VanDerWaalsContact O-N 3.1Å; P49-A52 HydrophobicContact CG-CB 4.25Å; P49-A52 WeakPolarHBondContact O-CB 3.24Å; P49-A52 PolarHBondContact O-N 3.42Å
50	P	96.3	Very high	90.7	Very high	36 Å²	36	99.5 Å²	99.5	23%	0.234	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-56.3	-33.3	-174.2	-27.7	34.4	0	0	0	114.7	A52 D53 Y54 Y73 A74	P50-A52 PolarHBondContact O-N 3.11Å; P50-D53 PolarHBondContact O-N 3.12Å; P50-D53 VanDerWaalsContact O-N 3.17Å; P50-Y54 PolarHBondContact O-N 3.46Å; P50-Y73 VanDerWaalsContact O-CE1 3.27Å; P50-Y73 WeakPolarHBondContact O-CE1 3.37Å; P50-A74 HydrophobicContact CB-CB 3.82Å; P50-A74 HydrophobicContact CG-CB 4.27Å
51	S	96.5	Very high	92	Very high	95 Å²	95	100.4 Å²	100.4	66%	0.664	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-62.6	-23.6	178.4	57.6	0	0	0	0	114	P49 D53 Y54	P49-S51 PolarHBondContact O-N 2.86Å; P49-S51 VanDerWaalsContact O-N 3.1Å; S51-D53 VanDerWaalsContact C-N 3.3Å; S51-Y54 PolarHBondContact O-N 3.12Å
52	A	97.6	Very high	93.2	Very high	64 Å²	64	97.3 Å²	97.3	53%	0.529	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-72.8	-24.2	178.6	0	0	0	0	0	112.8	F48 P49 P50	F48-A52 HydrophobicContact CB-CB 4.13Å; P49-A52 HydrophobicContact CG-CB 4.25Å; P49-A52 WeakPolarHBondContact O-CB 3.24Å; P49-A52 PolarHBondContact O-N 3.42Å; P50-A52 PolarHBondContact O-N 3.11Å
53	D	97.9	Very high	93.9	Very high	66 Å²	66	93 Å²	93	35%	0.353	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-98.6	1.6	176.2	-70.8	-16.9	0	0	0	112.5	P50 S51 Y73 R77	P50-D53 PolarHBondContact O-N 3.12Å; P50-D53 VanDerWaalsContact O-N 3.17Å; S51-D53 VanDerWaalsContact C-N 3.3Å; D53-Y73 HydrophobicContact CB-CE1 4.08Å; D53-Y73 VanDerWaalsContact CB-OH 3.31Å; D53-Y73 WeakPolarHBondContact CB-OH 3.31Å; D53-Y73 PolarHBondContact O-OH 3.44Å; D53-R77 IonicContact OD2-CZ 2.78Å; D53-R77 IonicContact OD2-NE 3.38Å; D53-R77 PolarHBondContact OD2-NE 3.36Å; D53-R77 IonicContact OD2-NH2 3.53Å; D53-R77 PolarHBondContact OD2-NH2 3.17Å
54	Y	98.4	Very high	94.7	Very high	70 Å²	70	86 Å²	86	28%	0.275	42%	0.419	S	S	.	.			trans	-63.6	128.5	-178.6	-168.8	-93.8	0	0	0	110.8	P50 S51 L68 T69 P70 Y73	P50-Y54 PolarHBondContact O-N 3.46Å; S51-Y54 PolarHBondContact O-N 3.12Å; Y54-L68 HydrophobicContact CE2-CD2 4.15Å; Y54-L68 HydrophobicContact CE2-CG 4.15Å; Y54-L68 PolarHBondContact OH-O 2.73Å; Y54-T69 WeakPolarHBondContact OH-CA 3.43Å; Y54-P70 HydrophobicContact CE1-CG 4.43Å; Y54-P70 HydrophobicContact CE2-CB 4.34Å; Y54-P70 HydrophobicContact CE2-CG 4.16Å; Y54-Y73 AromaticContact CD2-CD1 3.67Å; Y54-Y73 HydrophobicContact CD2-CD1 3.67Å; Y54-Y73 HydrophobicContact CD2-CD2 4.39Å; Y54-Y73 AromaticContact CD2-CG 3.61Å; Y54-Y73 HydrophobicContact CD2-CG 3.61Å; Y54-Y73 HydrophobicContact CE2-CG 4.09Å; Y54-Y73 HydrophobicContact CG-CD1 4.45Å
55	P	98.3	Very high	95.5	Very high	19 Å²	19	80.1 Å²	80.1	12%	0.123	40%	0.397	C	S	.	.			trans	-71.3	145.2	-174	28.6	-35.7	0	0	0	112.7	L57 L68 I91 V95	P55-L57 HydrophobicContact CB-CD1 4.44Å; P55-L57 HydrophobicContact CB-CD2 4.07Å; P55-L57 HydrophobicContact CB-CG 4.02Å; P55-L57 HydrophobicContact CG-CD1 3.82Å; P55-L57 HydrophobicContact CG-CD2 4.3Å; P55-L57 HydrophobicContact CG-CG 3.94Å; P55-L57 PolarHBondContact O-N 3.23Å; P55-L68 HydrophobicContact CG-CD2 3.82Å; P55-I91 HydrophobicContact CG-CD1 4.37Å; P55-V95 HydrophobicContact CB-CG1 4.2Å; P55-V95 HydrophobicContact CB-CG2 3.87Å; P55-V95 HydrophobicContact CG-CG2 4.28Å
56	D	98.4	Very high	96.4	Very high	92 Å²	92	74 Å²	74	49%	0.492	38%	0.378	S	S	.	.			trans	-79.1	104	168	-178.5	7.3	0	0	0	110.4	R58 H60	D56-R58 WeakPolarHBondContact OD1-CB 3Å; D56-R58 VanDerWaalsContact OD1-CG 3.26Å; D56-R58 WeakPolarHBondContact OD1-CG 3.34Å; D56-R58 IonicContact OD1-CZ 2.81Å; D56-R58 PolarHBondContact OD1-N 2.87Å; D56-R58 IonicContact OD1-NE 3.61Å; D56-R58 PolarHBondContact OD1-NE 3.32Å; D56-R58 IonicContact OD1-NH2 2.78Å; D56-R58 IonicContact OD2-CZ 3.62Å; D56-R58 IonicContact OD2-NE 2.8Å; D56-R58 PolarHBondContact OD2-NE 2.65Å; D56-R58 IonicContact OD2-NH2 2.62Å; D56-R58 PolarHBondContact OD2-NH2 3.28Å; D56-H60 PolarHBondContact O-CE1 2.86Å
57	L	98.1	Very high	96.9	Very high	25 Å²	25	71.3 Å²	71.3	13%	0.131	37%	0.368	C	S	.	.			trans	-110	16.1	-175.7	-60.2	176	0	0	0	113.2	P55 K59 H60 M64 A65 L68 V95	P55-L57 HydrophobicContact CB-CD1 4.44Å; P55-L57 HydrophobicContact CB-CD2 4.07Å; P55-L57 HydrophobicContact CB-CG 4.02Å; P55-L57 HydrophobicContact CG-CD1 3.82Å; P55-L57 HydrophobicContact CG-CD2 4.3Å; P55-L57 HydrophobicContact CG-CG 3.94Å; P55-L57 PolarHBondContact O-N 3.23Å; L57-K59 PolarHBondContact O-N 2.94Å; L57-H60 HydrophobicContact CB-CB 4.33Å; L57-H60 HydrophobicContact CD2-CB 4.39Å; L57-H60 WeakPolarHBondContact O-CB 3.34Å; L57-H60 PolarHBondContact O-N 2.87Å; L57-H60 VanDerWaalsContact O-N 3.13Å; L57-M64 HydrophobicContact CD1-SD 4.26Å; L57-M64 HydrophobicContact CD2-CE 4.37Å; L57-A65 HydrophobicContact CB-CB 4.22Å; L57-A65 HydrophobicContact CD1-CB 4.05Å; L57-A65 HydrophobicContact CD2-CB 4.4Å; L57-A65 HydrophobicContact CG-CB 4.47Å; L57-L68 HydrophobicContact CD1-CB 4.48Å; L57-L68 HydrophobicContact CD1-CD2 3.9Å; L57-V95 HydrophobicContact CD2-CG2 4.29Å
58	R	97.3	Very high	97.3	Very high	210 Å²	210	64.2 Å²	64.2	79%	0.792	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.7	-172.2	-71.3	176.3	-66.2	173.3	-0.1	114.8	D56	D56-R58 WeakPolarHBondContact OD1-CB 3Å; D56-R58 VanDerWaalsContact OD1-CG 3.26Å; D56-R58 WeakPolarHBondContact OD1-CG 3.34Å; D56-R58 IonicContact OD1-CZ 2.81Å; D56-R58 PolarHBondContact OD1-N 2.87Å; D56-R58 IonicContact OD1-NE 3.61Å; D56-R58 PolarHBondContact OD1-NE 3.32Å; D56-R58 IonicContact OD1-NH2 2.78Å; D56-R58 IonicContact OD2-CZ 3.62Å; D56-R58 IonicContact OD2-NE 2.8Å; D56-R58 PolarHBondContact OD2-NE 2.65Å; D56-R58 IonicContact OD2-NH2 2.62Å; D56-R58 PolarHBondContact OD2-NH2 3.28Å
59	K	96.5	Very high	97.5	Very high	190 Å²	190	61 Å²	61	83%	0.826	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	16.2	-177.7	-63.1	-177.1	-179.2	177.8	0	112.6	L57	L57-K59 PolarHBondContact O-N 2.94Å
60	H	97.4	Very high	97.7	Very high	41 Å²	41	61.5 Å²	61.5	19%	0.19	33%	0.325	C	S	.	.			trans	-98.9	138	-172.8	-68.7	57.1	0	0	0	111.6	D56 L57 A65 G94 V95 P98	D56-H60 PolarHBondContact O-CE1 2.86Å; L57-H60 HydrophobicContact CB-CB 4.33Å; L57-H60 HydrophobicContact CD2-CB 4.39Å; L57-H60 WeakPolarHBondContact O-CB 3.34Å; L57-H60 PolarHBondContact O-N 2.87Å; L57-H60 VanDerWaalsContact O-N 3.13Å; H60-A65 HydrophobicContact CB-CB 3.68Å; H60-G94 PolarHBondContact CD2-O 2.95Å; H60-V95 PolarHBondContact NE2-O 2.99Å; H60-P98 CarbonylContact C-O 3.53Å; H60-P98 WeakPolarHBondContact CA-O 3.39Å; H60-P98 VanDerWaalsContact CD2-CA 3.47Å; H60-P98 WeakPolarHBondContact CD2-CA 3.31Å
61	N	95.6	Very high	97.8	Very high	89 Å²	89	63.4 Å²	63.4	48%	0.476	34%	0.343	S	S	.	.			trans	-129.2	70.7	177.9	-178.4	21.4	0	0	0	109.5	P98	N61-P98 PolarHBondContact N-O 3.06Å
62	N	97.1	Very high	97.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-141.2	159.3	172.9	63.6	59.5	0	0	0	109.9	M64 A65 E66 G94 N97 T105	N62-M64 VanDerWaalsContact C-N 3.3Å; N62-M64 PolarHBondContact O-N 2.74Å; N62-M64 PolarHBondContact OD1-N 3.49Å; N62-A65 PolarHBondContact O-N 3.27Å; N62-A65 WeakPolarHBondContact OD1-CB 3.38Å; N62-A65 PolarHBondContact OD1-N 3.04Å; N62-E66 PolarHBondContact O-N 3.45Å; N62-G94 PolarHBondContact ND2-O 3.05Å; N62-N97 PolarHBondContact ND2-O 2.94Å; N62-T105 WeakPolarHBondContact CA-O 3.22Å; N62-T105 WeakPolarHBondContact CB-OG1 3.24Å
63	C	97.7	Very high	97.9	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.02	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-37.5	-171.8	-55.7	0	0	0	0	112.6	E66 C67 T105 V106 V126 V129	C63-E66 PolarHBondContact O-N 3.33Å; C63-C67 PolarHBondContact O-N 3.14Å; C63-C67 PolarHBondContact O-SG 2.85Å; C63-T105 PolarHBondContact N-O 3.44Å; C63-T105 PolarHBondContact SG-O 2.68Å; C63-V106 CarbonylContact C-O 3.57Å; C63-V106 WeakPolarHBondContact CB-O 3.4Å; C63-V106 PolarHBondContact N-O 2.91Å; C63-V126 HydrophobicContact CB-CG1 4.01Å; C63-V129 HydrophobicContact CB-CG1 4.36Å
64	M	98.6	Very high	97.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.5	-49.6	176.3	179.2	-77.5	-67	0	0	110.8	L57 N62 E66 C67 L68 I91 V95 V106 G107 M108	L57-M64 HydrophobicContact CD1-SD 4.26Å; L57-M64 HydrophobicContact CD2-CE 4.37Å; N62-M64 VanDerWaalsContact C-N 3.3Å; N62-M64 PolarHBondContact O-N 2.74Å; N62-M64 PolarHBondContact OD1-N 3.49Å; M64-E66 VanDerWaalsContact C-N 3.27Å; M64-E66 PolarHBondContact O-N 2.81Å; M64-C67 PolarHBondContact O-N 2.61Å; M64-C67 VanDerWaalsContact O-N 3.07Å; M64-L68 WeakPolarHBondContact O-CB 3.35Å; M64-L68 PolarHBondContact O-N 3.08Å; M64-L68 HydrophobicContact SD-CB 4.13Å; M64-L68 HydrophobicContact SD-CD2 4.01Å; M64-I91 HydrophobicContact CE-CB 4.01Å; M64-I91 HydrophobicContact CG-CB 4.05Å; M64-I91 HydrophobicContact CG-CG2 3.72Å; M64-I91 HydrophobicContact SD-CB 3.96Å; M64-I91 HydrophobicContact SD-CG2 4.03Å; M64-V95 HydrophobicContact CE-CG2 4.12Å; M64-V106 WeakPolarHBondContact CB-O 3.38Å; M64-V106 PolarHBondContact N-O 3.38Å; M64-G107 WeakPolarHBondContact CB-O 3.4Å; M64-M108 HydrophobicContact CB-CB 4.24Å; M64-M108 HydrophobicContact CB-CG 4.28Å; M64-M108 HydrophobicContact CB-SD 4.38Å; M64-M108 HydrophobicContact CG-CB 4.13Å; M64-M108 HydrophobicContact CG-CG 4.47Å; M64-M108 HydrophobicContact CG-SD 4.29Å
65	A	98.2	Very high	97.9	Very high	19 Å²	19	58.5 Å²	58.5	16%	0.157	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-31.2	-178.4	0	0	0	0	0	113.5	L57 H60 N62	L57-A65 HydrophobicContact CB-CB 4.22Å; L57-A65 HydrophobicContact CD1-CB 4.05Å; L57-A65 HydrophobicContact CD2-CB 4.4Å; L57-A65 HydrophobicContact CG-CB 4.47Å; H60-A65 HydrophobicContact CB-CB 3.68Å; N62-A65 PolarHBondContact O-N 3.27Å; N62-A65 WeakPolarHBondContact OD1-CB 3.38Å; N62-A65 PolarHBondContact OD1-N 3.04Å
66	E	97.3	Very high	97.9	Very high	101 Å²	101	57.6 Å²	57.6	47%	0.472	30%	0.301	S	S	.	.	H	α-helix	trans	-73.8	-26.5	175	-68.7	178.3	173.6	0	0	113.6	N62 C63 M64 K104	N62-E66 PolarHBondContact O-N 3.45Å; C63-E66 PolarHBondContact O-N 3.33Å; M64-E66 VanDerWaalsContact C-N 3.27Å; M64-E66 PolarHBondContact O-N 2.81Å; E66-K104 VanDerWaalsContact CD-CE 3.46Å; E66-K104 WeakPolarHBondContact OE1-CE 3.27Å; E66-K104 IonicContact OE1-NZ 3.6Å; E66-K104 PolarHBondContact OE1-NZ 3.48Å; E66-K104 VanDerWaalsContact OE2-CE 3.28Å; E66-K104 WeakPolarHBondContact OE2-CE 3.49Å; E66-K104 IonicContact OE2-NZ 2.66Å; E66-K104 PolarHBondContact OE2-NZ 2.88Å
67	C	98.4	Very high	97.9	Very high	17 Å²	17	53.4 Å²	53.4	12%	0.115	28%	0.278	C	S	.	.	H	α-helix	trans	-99.7	-23.8	-175.2	-62.4	0	0	0	0	113.1	C63 M64 I122 P125 V126	C63-C67 PolarHBondContact O-N 3.14Å; C63-C67 PolarHBondContact O-SG 2.85Å; M64-C67 PolarHBondContact O-N 2.61Å; M64-C67 VanDerWaalsContact O-N 3.07Å; C67-I122 HydrophobicContact CB-CD1 3.84Å; C67-P125 HydrophobicContact CB-CB 4.17Å; C67-P125 HydrophobicContact CB-CG 4.26Å; C67-V126 HydrophobicContact CB-CG2 3.69Å
68	L	98.7	Very high	97.8	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.052	28%	0.281	C	S	.	.			trans	-71.4	135	-178.1	-169	67.5	0	0	0	110.7	Y54 P55 L57 M64 I72 Y73 I91 I122	Y54-L68 HydrophobicContact CE2-CD2 4.15Å; Y54-L68 HydrophobicContact CE2-CG 4.15Å; Y54-L68 PolarHBondContact OH-O 2.73Å; P55-L68 HydrophobicContact CG-CD2 3.82Å; L57-L68 HydrophobicContact CD1-CB 4.48Å; L57-L68 HydrophobicContact CD1-CD2 3.9Å; M64-L68 WeakPolarHBondContact O-CB 3.35Å; M64-L68 PolarHBondContact O-N 3.08Å; M64-L68 HydrophobicContact SD-CB 4.13Å; M64-L68 HydrophobicContact SD-CD2 4.01Å; L68-I72 HydrophobicContact CD1-CG2 4.22Å; L68-Y73 HydrophobicContact CD1-CD2 4.44Å; L68-Y73 HydrophobicContact CD2-CD2 4.34Å; L68-I91 HydrophobicContact CD2-CD1 4.13Å; L68-I122 HydrophobicContact CB-CD1 4.16Å; L68-I122 HydrophobicContact CD1-CD1 4.05Å; L68-I122 HydrophobicContact CD1-CG1 4.33Å
69	T	98.7	Very high	97.8	Very high	57 Å²	57	45.8 Å²	45.8	35%	0.35	25%	0.251	S	S	.	.			trans	-130.1	156.9	175	67	0	0	0	0	110.3	Y54 A71 I72 Y73	Y54-T69 WeakPolarHBondContact OH-CA 3.43Å; T69-A71 PolarHBondContact O-N 3.41Å; T69-I72 HydrophobicContact CG2-CD1 4.34Å; T69-I72 PolarHBondContact O-N 3.25Å; T69-I72 VanDerWaalsContact O-N 3.16Å; T69-I72 VanDerWaalsContact OG1-CG1 3.31Å; T69-I72 WeakPolarHBondContact OG1-CG1 3.44Å; T69-I72 PolarHBondContact OG1-N 3.33Å; T69-Y73 PolarHBondContact O-N 3.35Å
70	P	98.6	Very high	97.9	Very high	88 Å²	88	38.3 Å²	38.3	57%	0.571	22%	0.22	S	C	*	.	H	α-helix	trans	-54	-35.9	175	-29	36.6	0	0	0	113.4	Y54 A74	Y54-P70 HydrophobicContact CE1-CG 4.43Å; Y54-P70 HydrophobicContact CE2-CB 4.34Å; Y54-P70 HydrophobicContact CE2-CG 4.16Å; P70-A74 VanDerWaalsContact O-CB 3.23Å; P70-A74 WeakPolarHBondContact O-CB 3.22Å; P70-A74 PolarHBondContact O-N 2.85Å
71	A	98.5	Very high	97.9	Very high	75 Å²	75	36.3 Å²	36.3	62%	0.62	21%	0.21	S	C	*	.	H	α-helix	trans	-68.5	-46.6	178.1	0	0	0	0	0	112.4	T69 A74 K75	T69-A71 PolarHBondContact O-N 3.41Å; A71-A74 PolarHBondContact O-N 2.96Å; A71-K75 WeakPolarHBondContact O-CB 3.43Å; A71-K75 PolarHBondContact O-N 3.37Å; A71-K75 VanDerWaalsContact O-N 3.1Å
72	I	98.6	Very high	98	Very high	28 Å²	28	34.1 Å²	34.1	14%	0.144	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-47.4	176.6	-69.5	169	0	0	0	109.9	L68 T69 A74 K75 L76 I122	L68-I72 HydrophobicContact CD1-CG2 4.22Å; T69-I72 HydrophobicContact CG2-CD1 4.34Å; T69-I72 PolarHBondContact O-N 3.25Å; T69-I72 VanDerWaalsContact O-N 3.16Å; T69-I72 VanDerWaalsContact OG1-CG1 3.31Å; T69-I72 WeakPolarHBondContact OG1-CG1 3.44Å; T69-I72 PolarHBondContact OG1-N 3.33Å; I72-A74 PolarHBondContact O-N 2.95Å; I72-K75 PolarHBondContact O-N 3.3Å; I72-L76 HydrophobicContact CG2-CD1 3.77Å; I72-L76 HydrophobicContact CG2-CG 4.39Å; I72-L76 WeakPolarHBondContact O-CB 3.37Å; I72-L76 WeakPolarHBondContact O-CG 3.18Å; I72-L76 PolarHBondContact O-N 3.46Å; I72-I122 HydrophobicContact CG2-CB 3.96Å
73	Y	98.7	Very high	98	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-48.5	179.9	-173	-98.8	0	0	0	111.6	P50 D53 Y54 L68 T69 K75 L76 R77 L87 D88 I91	P50-Y73 VanDerWaalsContact O-CE1 3.27Å; P50-Y73 WeakPolarHBondContact O-CE1 3.37Å; D53-Y73 HydrophobicContact CB-CE1 4.08Å; D53-Y73 VanDerWaalsContact CB-OH 3.31Å; D53-Y73 WeakPolarHBondContact CB-OH 3.31Å; D53-Y73 PolarHBondContact O-OH 3.44Å; Y54-Y73 AromaticContact CD2-CD1 3.67Å; Y54-Y73 HydrophobicContact CD2-CD1 3.67Å; Y54-Y73 HydrophobicContact CD2-CD2 4.39Å; Y54-Y73 AromaticContact CD2-CG 3.61Å; Y54-Y73 HydrophobicContact CD2-CG 3.61Å; Y54-Y73 HydrophobicContact CE2-CG 4.09Å; Y54-Y73 HydrophobicContact CG-CD1 4.45Å; L68-Y73 HydrophobicContact CD1-CD2 4.44Å; L68-Y73 HydrophobicContact CD2-CD2 4.34Å; T69-Y73 PolarHBondContact O-N 3.35Å; Y73-K75 PolarHBondContact O-N 3.01Å; Y73-L76 PolarHBondContact O-N 3.39Å; Y73-R77 HydrophobicContact CD1-CB 4.44Å; Y73-R77 HydrophobicContact CE1-CB 4.17Å; Y73-R77 HydrophobicContact CE1-CG 4.15Å; Y73-R77 WeakPolarHBondContact O-CB 3.43Å; Y73-R77 PolarHBondContact O-N 2.89Å; Y73-L87 HydrophobicContact CD2-CD2 3.57Å; Y73-L87 HydrophobicContact CE2-CD2 3.9Å; Y73-L87 HydrophobicContact CG-CD2 4.37Å; Y73-D88 VanDerWaalsContact CE2-OD1 3.29Å; Y73-D88 WeakPolarHBondContact CE2-OD1 3.31Å; Y73-D88 PolarHBondContact OH-OD1 2.99Å; Y73-I91 HydrophobicContact CD2-CD1 4.41Å; Y73-I91 HydrophobicContact CE2-CD1 4.11Å
74	A	98	Very high	98	Very high	49 Å²	49	40.2 Å²	40.2	41%	0.405	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-34.7	179	0	0	0	0	0	113.3	P50 P70 A71 I72	P50-A74 HydrophobicContact CB-CB 3.82Å; P50-A74 HydrophobicContact CG-CB 4.27Å; P70-A74 VanDerWaalsContact O-CB 3.23Å; P70-A74 WeakPolarHBondContact O-CB 3.22Å; P70-A74 PolarHBondContact O-N 2.85Å; A71-A74 PolarHBondContact O-N 2.96Å; I72-A74 PolarHBondContact O-N 2.95Å
75	K	97.9	Very high	98	Very high	113 Å²	113	40.8 Å²	40.8	49%	0.491	24%	0.243	S	C	.	.	H	α-helix	trans	-75.4	-31.6	179	-172.9	175.9	179.9	-171.1	0	113.7	A71 I72 Y73 E121	A71-K75 WeakPolarHBondContact O-CB 3.43Å; A71-K75 PolarHBondContact O-N 3.37Å; A71-K75 VanDerWaalsContact O-N 3.1Å; I72-K75 PolarHBondContact O-N 3.3Å; Y73-K75 PolarHBondContact O-N 3.01Å; K75-E121 WeakPolarHBondContact CD-OE1 3.38Å; K75-E121 WeakPolarHBondContact CD-OE2 3.35Å; K75-E121 WeakPolarHBondContact CE-OE1 3.28Å; K75-E121 WeakPolarHBondContact CE-OE2 2.93Å; K75-E121 IonicContact NZ-OE1 2.64Å; K75-E121 PolarHBondContact NZ-OE1 3.26Å; K75-E121 IonicContact NZ-OE2 2.81Å; K75-E121 PolarHBondContact NZ-OE2 3.42Å
76	L	98.1	Very high	98	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-104.2	-22.3	-171.2	-66.1	-174.6	0	0	0	114	I72 Y73 D78 K79 L87 F119 E121 I122	I72-L76 HydrophobicContact CG2-CD1 3.77Å; I72-L76 HydrophobicContact CG2-CG 4.39Å; I72-L76 WeakPolarHBondContact O-CB 3.37Å; I72-L76 WeakPolarHBondContact O-CG 3.18Å; I72-L76 PolarHBondContact O-N 3.46Å; Y73-L76 PolarHBondContact O-N 3.39Å; L76-D78 VanDerWaalsContact C-N 3.29Å; L76-D78 PolarHBondContact O-N 2.86Å; L76-K79 HydrophobicContact CD2-CD 3.98Å; L76-K79 WeakPolarHBondContact O-CB 3.24Å; L76-K79 PolarHBondContact O-N 3.5Å; L76-L87 HydrophobicContact CB-CD1 4.46Å; L76-L87 HydrophobicContact CB-CD2 3.73Å; L76-L87 HydrophobicContact CB-CG 4.48Å; L76-L87 HydrophobicContact CD1-CD1 4.36Å; L76-F119 HydrophobicContact CB-CD1 4.3Å; L76-F119 HydrophobicContact CD1-CB 4.34Å; L76-F119 HydrophobicContact CD1-CD1 4.45Å; L76-E121 HydrophobicContact CD1-CB 4.15Å; L76-I122 HydrophobicContact CD1-CB 4.25Å; L76-I122 HydrophobicContact CD1-CG2 3.8Å
77	R	97.6	Very high	98.1	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.011	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-41.4	-171.6	173.3	-176	163.6	-108.5	21.4	114.1	K46 F48 D53 Y73 K79	K46-R77 VanDerWaalsContact CB-NH2 3.35Å; K46-R77 HydrophobicContact CD-CG 4.27Å; F48-R77 PolarHBondContact O-NH1 3.2Å; F48-R77 PolarHBondContact O-NH2 3.08Å; D53-R77 IonicContact OD2-CZ 2.78Å; D53-R77 IonicContact OD2-NE 3.38Å; D53-R77 PolarHBondContact OD2-NE 3.36Å; D53-R77 IonicContact OD2-NH2 3.53Å; D53-R77 PolarHBondContact OD2-NH2 3.17Å; Y73-R77 HydrophobicContact CD1-CB 4.44Å; Y73-R77 HydrophobicContact CE1-CB 4.17Å; Y73-R77 HydrophobicContact CE1-CG 4.15Å; Y73-R77 WeakPolarHBondContact O-CB 3.43Å; Y73-R77 PolarHBondContact O-N 2.89Å; R77-K79 VanDerWaalsContact C-N 3.33Å
78	D	96.9	Very high	98.1	Very high	35 Å²	35	37 Å²	37	19%	0.187	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-0.3	-174.3	-69.6	2.5	0	0	0	112.3	E43 K44 K46 L76	E43-D78 WeakPolarHBondContact CA-O 3.17Å; K44-D78 PolarHBondContact N-O 3.15Å; K46-D78 PolarHBondContact N-OD2 3.2Å; L76-D78 VanDerWaalsContact C-N 3.29Å; L76-D78 PolarHBondContact O-N 2.86Å
79	K	97.4	Very high	98.1	Very high	40 Å²	40	40.6 Å²	40.6	17%	0.174	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	148	174.6	-63.1	-172.6	175.2	-169.3	0	111.5	V41 Q42 E43 L76 R77 V118 F119	V41-K79 HydrophobicContact CG1-CB 3.98Å; V41-K79 HydrophobicContact CG1-CD 3.92Å; V41-K79 HydrophobicContact CG1-CG 3.91Å; Q42-K79 CarbonylContact O-C 3.54Å; E43-K79 HydrophobicContact CG-CG 4.36Å; L76-K79 HydrophobicContact CD2-CD 3.98Å; L76-K79 WeakPolarHBondContact O-CB 3.24Å; L76-K79 PolarHBondContact O-N 3.5Å; R77-K79 VanDerWaalsContact C-N 3.33Å; K79-V118 HydrophobicContact CB-CG1 4.08Å; K79-F119 HydrophobicContact CB-CE1 4.05Å
80	M	97.7	Very high	98.1	Very high	33 Å²	33	37.9 Å²	37.9	16%	0.163	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149.1	176	-51.5	-175.1	-66.8	0	0	110.2	Q42 K44 Y85 T86	Q42-M80 HydrophobicContact CB-CB 4.31Å; Q42-M80 HydrophobicContact CB-CE 3.94Å; Q42-M80 PolarHBondContact N-O 3.38Å; Q42-M80 VanDerWaalsContact N-O 3.14Å; Q42-M80 PolarHBondContact O-N 3.03Å; K44-M80 HydrophobicContact CB-CE 3.62Å; K44-M80 HydrophobicContact CB-SD 4.06Å; M80-Y85 VanDerWaalsContact CA-O 3.31Å; M80-Y85 WeakPolarHBondContact CA-O 3.32Å; M80-T86 HydrophobicContact CG-CG2 4.09Å; M80-T86 HydrophobicContact SD-CG2 4.45Å
81	T	98.4	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.196	C	C	.	.			trans	-68.4	167.1	168.6	69.3	0	0	0	0	110.1	N83 G84 Y85 D112 V118 F119	T81-N83 PolarHBondContact O-N 2.96Å; T81-N83 VanDerWaalsContact O-N 3.11Å; T81-G84 PolarHBondContact O-N 3.48Å; T81-G84 PolarHBondContact OG1-N 3.22Å; T81-Y85 PolarHBondContact N-O 3.5Å; T81-Y85 WeakPolarHBondContact OG1-CB 3.08Å; T81-Y85 PolarHBondContact OG1-N 3.19Å; T81-D112 WeakPolarHBondContact CB-OD2 3.46Å; T81-D112 VanDerWaalsContact CG2-OD1 3.29Å; T81-D112 WeakPolarHBondContact CG2-OD1 3.42Å; T81-D112 PolarHBondContact OG1-OD2 3.32Å; T81-V118 HydrophobicContact CG2-CB 4.35Å; T81-V118 HydrophobicContact CG2-CG2 4.27Å; T81-F119 HydrophobicContact CG2-CE2 3.69Å; T81-F119 HydrophobicContact CG2-CZ 4.29Å
82	P	98	Very high	98.2	Very high	42 Å²	42	33.9 Å²	33.9	27%	0.273	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-31.1	175.9	-28.6	37.2	0	0	0	113.9	Q42 G84 E114	Q42-P82 PolarHBondContact NE2-O 3.08Å; P82-G84 VanDerWaalsContact C-N 3.34Å; P82-E114 HydrophobicContact CG-CB 4.47Å; P82-E114 HydrophobicContact CG-CG 4.02Å
83	N	96.8	Very high	98.2	Very high	101 Å²	101	32.9 Å²	32.9	54%	0.54	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	6.9	178.1	-62.2	-41.3	0	0	0	113.7	T81	T81-N83 PolarHBondContact O-N 2.96Å; T81-N83 VanDerWaalsContact O-N 3.11Å
84	G	97.7	Very high	98.1	Very high	31 Å²	31	32.8 Å²	32.8	32%	0.32	18%	0.179	S	C	.	.			trans	82.1	15.6	175	0	0	0	0	0	115	T81 P82	T81-G84 PolarHBondContact O-N 3.48Å; T81-G84 PolarHBondContact OG1-N 3.22Å; P82-G84 VanDerWaalsContact C-N 3.34Å
85	Y	98.5	Very high	98.2	Very high	12 Å²	12	32.4 Å²	32.4	5%	0.047	17%	0.171	C	C	.	.			trans	-75.2	140.3	173.7	-153.2	-112.6	0	0	0	110.5	M80 T81 Q89 C90 F119 P178 A179	M80-Y85 VanDerWaalsContact CA-O 3.31Å; M80-Y85 WeakPolarHBondContact CA-O 3.32Å; T81-Y85 PolarHBondContact N-O 3.5Å; T81-Y85 WeakPolarHBondContact OG1-CB 3.08Å; T81-Y85 PolarHBondContact OG1-N 3.19Å; Y85-Q89 HydrophobicContact CD1-CB 4.43Å; Y85-Q89 HydrophobicContact CD2-CB 4.13Å; Y85-Q89 HydrophobicContact CE1-CB 3.95Å; Y85-Q89 HydrophobicContact CE2-CB 3.61Å; Y85-Q89 HydrophobicContact CE2-CG 4.25Å; Y85-Q89 PolarHBondContact OH-O 3.07Å; Y85-C90 HydrophobicContact CE1-CB 4.46Å; Y85-C90 VanDerWaalsContact CE1-SG 3.53Å; Y85-F119 WeakPolarHBondContact O-CZ 3.5Å; Y85-P178 HydrophobicContact CE2-CB 4.48Å; Y85-P178 VanDerWaalsContact OH-CB 3.28Å; Y85-P178 WeakPolarHBondContact OH-CB 3.41Å; Y85-A179 HydrophobicContact CD2-CB 3.47Å; Y85-A179 VanDerWaalsContact CD2-CB 3.47Å; Y85-A179 HydrophobicContact CE2-CB 3.58Å; Y85-A179 HydrophobicContact CG-CB 4.32Å
86	T	98.6	Very high	98.2	Very high	25 Å²	25	30.7 Å²	30.7	15%	0.153	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-116.3	162.8	-169.3	63.6	0	0	0	0	112.4	M80 D88 Q89 C90	M80-T86 HydrophobicContact CG-CG2 4.09Å; M80-T86 HydrophobicContact SD-CG2 4.45Å; T86-D88 VanDerWaalsContact C-N 3.31Å; T86-D88 PolarHBondContact O-N 3.5Å; T86-Q89 PolarHBondContact O-N 2.92Å; T86-Q89 VanDerWaalsContact OG1-CG 3.3Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.35Å; T86-Q89 PolarHBondContact OG1-N 3.14Å; T86-Q89 PolarHBondContact OG1-OE1 3.24Å; T86-C90 PolarHBondContact O-N 3.41Å; T86-C90 VanDerWaalsContact O-N 3.11Å; T86-C90 PolarHBondContact O-SG 2.88Å
87	L	98.7	Very high	98.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57	-44.8	172.3	177.6	68	0	0	0	112	Y73 L76 Q89 C90 I91 F119 I122	Y73-L87 HydrophobicContact CD2-CD2 3.57Å; Y73-L87 HydrophobicContact CE2-CD2 3.9Å; Y73-L87 HydrophobicContact CG-CD2 4.37Å; L76-L87 HydrophobicContact CB-CD1 4.46Å; L76-L87 HydrophobicContact CB-CD2 3.73Å; L76-L87 HydrophobicContact CB-CG 4.48Å; L76-L87 HydrophobicContact CD1-CD1 4.36Å; L87-Q89 VanDerWaalsContact C-N 3.29Å; L87-Q89 PolarHBondContact O-N 3.48Å; L87-C90 VanDerWaalsContact O-CB 3.3Å; L87-C90 WeakPolarHBondContact O-CB 3.33Å; L87-C90 PolarHBondContact O-N 3.01Å; L87-I91 HydrophobicContact CD1-CG2 4.11Å; L87-I91 PolarHBondContact O-N 3.31Å; L87-F119 HydrophobicContact CB-CD1 4.12Å; L87-F119 HydrophobicContact CB-CE1 3.95Å; L87-F119 HydrophobicContact CD1-CD1 4.35Å; L87-I122 HydrophobicContact CD1-CG2 3.8Å
88	D	98.7	Very high	98	Very high	33 Å²	33	34.3 Å²	34.3	18%	0.176	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-41.5	-177.8	-66.9	-35.4	0	0	0	110.9	K46 Y73 T86 C90 I91 Q92	K46-D88 IonicContact NZ-OD2 3.09Å; K46-D88 PolarHBondContact NZ-OD2 3.42Å; Y73-D88 VanDerWaalsContact CE2-OD1 3.29Å; Y73-D88 WeakPolarHBondContact CE2-OD1 3.31Å; Y73-D88 PolarHBondContact OH-OD1 2.99Å; T86-D88 VanDerWaalsContact C-N 3.31Å; T86-D88 PolarHBondContact O-N 3.5Å; D88-C90 VanDerWaalsContact C-N 3.34Å; D88-C90 PolarHBondContact O-N 3.27Å; D88-I91 PolarHBondContact O-N 2.8Å; D88-Q92 WeakPolarHBondContact O-CB 3.4Å; D88-Q92 PolarHBondContact O-N 3.09Å
89	Q	98.8	Very high	97.4	Very high	84 Å²	84	34.2 Å²	34.2	39%	0.393	20%	0.198	S	C	.	.	H	α-helix	trans	-63.8	-38.2	174.3	-69.6	166.4	-59.4	0	0	112.3	Y85 T86 L87 I91	Y85-Q89 HydrophobicContact CD1-CB 4.43Å; Y85-Q89 HydrophobicContact CD2-CB 4.13Å; Y85-Q89 HydrophobicContact CE1-CB 3.95Å; Y85-Q89 HydrophobicContact CE2-CB 3.61Å; Y85-Q89 HydrophobicContact CE2-CG 4.25Å; Y85-Q89 PolarHBondContact OH-O 3.07Å; T86-Q89 PolarHBondContact O-N 2.92Å; T86-Q89 VanDerWaalsContact OG1-CG 3.3Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.35Å; T86-Q89 PolarHBondContact OG1-N 3.14Å; T86-Q89 PolarHBondContact OG1-OE1 3.24Å; L87-Q89 VanDerWaalsContact C-N 3.29Å; L87-Q89 PolarHBondContact O-N 3.48Å; Q89-I91 VanDerWaalsContact C-N 3.34Å; Q89-I91 PolarHBondContact O-N 2.99Å
90	C	98.9	Very high	96.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.9	-44.8	176.1	-63.7	0	0	0	0	111.5	Y85 T86 L87 D88 M108 V109 F123	Y85-C90 HydrophobicContact CE1-CB 4.46Å; Y85-C90 VanDerWaalsContact CE1-SG 3.53Å; T86-C90 PolarHBondContact O-N 3.41Å; T86-C90 VanDerWaalsContact O-N 3.11Å; T86-C90 PolarHBondContact O-SG 2.88Å; L87-C90 VanDerWaalsContact O-CB 3.3Å; L87-C90 WeakPolarHBondContact O-CB 3.33Å; L87-C90 PolarHBondContact O-N 3.01Å; D88-C90 VanDerWaalsContact C-N 3.34Å; D88-C90 PolarHBondContact O-N 3.27Å; C90-M108 HydrophobicContact CB-CE 4.24Å; C90-M108 CarbonylContact O-C 3.55Å; C90-M108 WeakPolarHBondContact O-CA 3.47Å; C90-M108 VanDerWaalsContact O-CB 3.25Å; C90-M108 WeakPolarHBondContact O-CB 3.36Å; C90-V109 WeakPolarHBondContact CA-O 3.22Å; C90-V109 WeakPolarHBondContact CB-O 3.42Å; C90-V109 PolarHBondContact O-N 3.06Å; C90-F123 HydrophobicContact CB-CZ 4.46Å
91	I	98.8	Very high	95.5	Very high	3 Å²	3	38 Å²	38	2%	0.015	23%	0.225	C	C	.	.	H	α-helix	trans	-91.9	-11.6	-171.4	70.4	175.4	0	0	0	114	P55 M64 L68 Y73 L87 D88 Q89 T93 G94 V95 M108	P55-I91 HydrophobicContact CG-CD1 4.37Å; M64-I91 HydrophobicContact CE-CB 4.01Å; M64-I91 HydrophobicContact CG-CB 4.05Å; M64-I91 HydrophobicContact CG-CG2 3.72Å; M64-I91 HydrophobicContact SD-CB 3.96Å; M64-I91 HydrophobicContact SD-CG2 4.03Å; L68-I91 HydrophobicContact CD2-CD1 4.13Å; Y73-I91 HydrophobicContact CD2-CD1 4.41Å; Y73-I91 HydrophobicContact CE2-CD1 4.11Å; L87-I91 HydrophobicContact CD1-CG2 4.11Å; L87-I91 PolarHBondContact O-N 3.31Å; D88-I91 PolarHBondContact O-N 2.8Å; Q89-I91 VanDerWaalsContact C-N 3.34Å; Q89-I91 PolarHBondContact O-N 2.99Å; I91-T93 VanDerWaalsContact C-N 3.29Å; I91-T93 PolarHBondContact O-N 2.95Å; I91-T93 VanDerWaalsContact O-N 3.16Å; I91-G94 WeakPolarHBondContact O-CA 3.41Å; I91-G94 PolarHBondContact O-N 3.28Å; I91-V95 HydrophobicContact CD1-CG2 4.25Å; I91-V95 HydrophobicContact CG1-CG2 4.14Å; I91-V95 PolarHBondContact O-N 2.94Å; I91-M108 HydrophobicContact CG2-CB 4.38Å; I91-M108 HydrophobicContact CG2-CE 4.43Å
92	Q	98.8	Very high	94.1	Very high	76 Å²	76	44.6 Å²	44.6	36%	0.355	25%	0.254	S	S	.	.	H	α-helix	trans	-50.6	-46.8	-171.8	-170.5	65.4	58.6	0	0	112.6	D88 G94 V95 D96	D88-Q92 WeakPolarHBondContact O-CB 3.4Å; D88-Q92 PolarHBondContact O-N 3.09Å; Q92-G94 VanDerWaalsContact C-N 3.26Å; Q92-G94 PolarHBondContact O-N 2.99Å; Q92-V95 PolarHBondContact O-N 2.9Å; Q92-V95 VanDerWaalsContact O-N 3.09Å; Q92-D96 PolarHBondContact NE2-OD1 2.88Å; Q92-D96 PolarHBondContact NE2-OD2 2.96Å; Q92-D96 PolarHBondContact O-N 3.37Å
93	T	98.4	Very high	93.1	Very high	7 Å²	7	46 Å²	46	4%	0.043	26%	0.259	C	S	.	.	H	α-helix	trans	-60.4	-35.1	179	-171.6	0	0	0	0	112.7	I91 N97 V109 L235 A239	I91-T93 VanDerWaalsContact C-N 3.29Å; I91-T93 PolarHBondContact O-N 2.95Å; I91-T93 VanDerWaalsContact O-N 3.16Å; T93-N97 WeakPolarHBondContact O-CB 3.3Å; T93-N97 PolarHBondContact O-N 3.42Å; T93-N97 VanDerWaalsContact O-N 3.09Å; T93-N97 PolarHBondContact O-ND2 2.93Å; T93-V109 HydrophobicContact CG2-CG1 4.28Å; T93-L235 PolarHBondContact OG1-O 3.3Å; T93-A239 HydrophobicContact CG2-CB 4.34Å
94	G	98.4	Very high	92.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-76.3	-30.1	175.4	0	0	0	0	0	113.5	H60 N62 I91 Q92 G107	H60-G94 PolarHBondContact CD2-O 2.95Å; N62-G94 PolarHBondContact ND2-O 3.05Å; I91-G94 WeakPolarHBondContact O-CA 3.41Å; I91-G94 PolarHBondContact O-N 3.28Å; Q92-G94 VanDerWaalsContact C-N 3.26Å; Q92-G94 PolarHBondContact O-N 2.99Å; G94-G107 VanDerWaalsContact CA-CA 3.49Å; G94-G107 WeakPolarHBondContact CA-O 3.43Å; G94-G107 PolarHBondContact N-O 2.94Å
95	V	98.5	Very high	92.4	Very high	41 Å²	41	44.3 Å²	44.3	25%	0.248	24%	0.239	C	C	.	.	H	α-helix	trans	-68.7	-44.2	173.5	177.4	0	0	0	0	110.2	P55 L57 H60 M64 I91 Q92 N97	P55-V95 HydrophobicContact CB-CG1 4.2Å; P55-V95 HydrophobicContact CB-CG2 3.87Å; P55-V95 HydrophobicContact CG-CG2 4.28Å; L57-V95 HydrophobicContact CD2-CG2 4.29Å; H60-V95 PolarHBondContact NE2-O 2.99Å; M64-V95 HydrophobicContact CE-CG2 4.12Å; I91-V95 HydrophobicContact CD1-CG2 4.25Å; I91-V95 HydrophobicContact CG1-CG2 4.14Å; I91-V95 PolarHBondContact O-N 2.94Å; Q92-V95 PolarHBondContact O-N 2.9Å; Q92-V95 VanDerWaalsContact O-N 3.09Å; V95-N97 VanDerWaalsContact C-N 3.33Å; V95-N97 PolarHBondContact O-N 3.35Å
96	D	98.3	Very high	92.3	Very high	77 Å²	77	44.2 Å²	44.2	41%	0.412	24%	0.239	S	C	.	.	H	α-helix	trans	-74.3	-24.5	-178	-65	-11.9	0	0	0	112.8	Q92 P98 C238	Q92-D96 PolarHBondContact NE2-OD1 2.88Å; Q92-D96 PolarHBondContact NE2-OD2 2.96Å; Q92-D96 PolarHBondContact O-N 3.37Å; D96-P98 WeakPolarHBondContact O-CD 3.38Å; D96-C238 HydrophobicContact CB-CB 4.04Å
97	N	96.9	Very high	92.3	Very high	16 Å²	16	43.3 Å²	43.3	9%	0.086	24%	0.236	C	C	.	.			trans	-117.4	94.2	-176.7	-61.8	-85.9	0	0	0	111.1	N62 T93 V95 G99 P234 L235	N62-N97 PolarHBondContact ND2-O 2.94Å; T93-N97 WeakPolarHBondContact O-CB 3.3Å; T93-N97 PolarHBondContact O-N 3.42Å; T93-N97 VanDerWaalsContact O-N 3.09Å; T93-N97 PolarHBondContact O-ND2 2.93Å; V95-N97 VanDerWaalsContact C-N 3.33Å; V95-N97 PolarHBondContact O-N 3.35Å; N97-G99 PolarHBondContact O-N 3.39Å; N97-G99 VanDerWaalsContact O-N 3.12Å; N97-P234 PolarHBondContact ND2-O 3.12Å; N97-P234 VanDerWaalsContact OD1-CB 3.29Å; N97-P234 WeakPolarHBondContact OD1-CB 3.33Å; N97-P234 WeakPolarHBondContact OD1-CG 3.38Å; N97-L235 HydrophobicContact CB-CD2 3.77Å
98	P	93.8	Very high	92.3	Very high	64 Å²	64	43.5 Å²	43.5	42%	0.416	24%	0.236	S	C	.	.			trans	-66.2	-16.1	-177.1	26.3	-34.5	0	0	0	113.8	H60 N61 D96	H60-P98 CarbonylContact C-O 3.53Å; H60-P98 WeakPolarHBondContact CA-O 3.39Å; H60-P98 VanDerWaalsContact CD2-CA 3.47Å; H60-P98 WeakPolarHBondContact CD2-CA 3.31Å; N61-P98 PolarHBondContact N-O 3.06Å; D96-P98 WeakPolarHBondContact O-CD 3.38Å
99	G	85.8	Confident	92.3	Very high	33 Å²	33	42.4 Å²	42.4	34%	0.34	23%	0.231	S	C	.	.			trans	-176.8	-175.4	175.4	0	0	0	0	0	111	N97	N97-G99 PolarHBondContact O-N 3.39Å; N97-G99 VanDerWaalsContact O-N 3.12Å
100	H	80.6	Confident	92.3	Very high	41 Å²	41	38.4 Å²	38.4	19%	0.19	21%	0.212	C	C	.	.			trans	-135.2	142.4	173.4	-172.2	-96.9	0	0	0	109.7	F102 I103 T105 D360	H100-F102 AromaticContact CE1-CD2 3.76Å; H100-F102 PolarHBondContact O-N 3.48Å; H100-F102 VanDerWaalsContact O-N 3.07Å; H100-I103 HydrophobicContact CB-CG1 4.43Å; H100-I103 WeakPolarHBondContact CB-O 3.46Å; H100-T105 HydrophobicContact CB-CG2 3.53Å; H100-D360 IonicContact CE1-OD1 3.69Å; H100-D360 PolarHBondContact CE1-OD1 3.06Å; H100-D360 IonicContact NE2-OD1 3.73Å; H100-D360 PolarHBondContact NE2-OD1 3.29Å
101	P	73.5	Confident	92.3	Very high	110 Å²	110	38.4 Å²	38.4	71%	0.714	21%	0.212	S	C	*	.	S	Bend	trans	-58	-28.2	-172.6	-27.5	35.6	0	0	0	115.1
102	F	70.1	Confident	92.3	Very high	139 Å²	139	38.3 Å²	38.3	61%	0.61	21%	0.212	S	C	*	.	S	Bend	trans	-113.3	-23	-169.6	-55.8	-64.2	0	0	0	115.1	H100	H100-F102 AromaticContact CE1-CD2 3.76Å; H100-F102 PolarHBondContact O-N 3.48Å; H100-F102 VanDerWaalsContact O-N 3.07Å
103	I	76.4	Confident	92.3	Very high	72 Å²	72	36 Å²	36	37%	0.369	20%	0.201	S	C	.	.	S	Bend	trans	-148.5	152.3	-170.6	59.1	169.6	0	0	0	111.2	H100 T105 V359	H100-I103 HydrophobicContact CB-CG1 4.43Å; H100-I103 WeakPolarHBondContact CB-O 3.46Å; I103-T105 HydrophobicContact CG1-CG2 4.46Å; I103-T105 PolarHBondContact O-N 3.31Å; I103-V359 HydrophobicContact CD1-CG2 4.07Å
104	K	86.7	Confident	92.3	Very high	85 Å²	85	37.9 Å²	37.9	37%	0.37	21%	0.209	S	C	.	.			trans	-74.3	123.5	164.7	-174.6	172.9	170.7	179.6	0	109.6	E66	E66-K104 VanDerWaalsContact CD-CE 3.46Å; E66-K104 WeakPolarHBondContact OE1-CE 3.27Å; E66-K104 IonicContact OE1-NZ 3.6Å; E66-K104 PolarHBondContact OE1-NZ 3.48Å; E66-K104 VanDerWaalsContact OE2-CE 3.28Å; E66-K104 WeakPolarHBondContact OE2-CE 3.49Å; E66-K104 IonicContact OE2-NZ 2.66Å; E66-K104 PolarHBondContact OE2-NZ 2.88Å
105	T	93.1	Very high	92.3	Very high	11 Å²	11	37.9 Å²	37.9	7%	0.067	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-89.8	167.2	-177.3	57.7	0	0	0	0	111.8	N62 C63 H100 I103 L235	N62-T105 WeakPolarHBondContact CA-O 3.22Å; N62-T105 WeakPolarHBondContact CB-OG1 3.24Å; C63-T105 PolarHBondContact N-O 3.44Å; C63-T105 PolarHBondContact SG-O 2.68Å; H100-T105 HydrophobicContact CB-CG2 3.53Å; I103-T105 HydrophobicContact CG1-CG2 4.46Å; I103-T105 PolarHBondContact O-N 3.31Å; T105-L235 HydrophobicContact CG2-CD1 3.8Å; T105-L235 HydrophobicContact CG2-CD2 4.12Å
106	V	97.1	Very high	92.3	Very high	10 Å²	10	36 Å²	36	6%	0.061	20%	0.197	C	C	.	.			trans	-73.8	-47.2	174.6	-179.1	0	0	0	0	111	C63 M64 M108 V126 R130 P318	C63-V106 CarbonylContact C-O 3.57Å; C63-V106 WeakPolarHBondContact CB-O 3.4Å; C63-V106 PolarHBondContact N-O 2.91Å; M64-V106 WeakPolarHBondContact CB-O 3.38Å; M64-V106 PolarHBondContact N-O 3.38Å; V106-M108 HydrophobicContact CG1-CG 4.02Å; V106-V126 HydrophobicContact CG1-CG1 3.59Å; V106-R130 HydrophobicContact CG2-CG 3.96Å; V106-P318 HydrophobicContact CG1-CB 3.96Å; V106-P318 HydrophobicContact CG1-CG 3.84Å
107	G	97.8	Very high	92.3	Very high	7 Å²	7	36.3 Å²	36.3	7%	0.072	20%	0.196	C	C	.	.			trans	80.9	12.4	-179.7	0	0	0	0	0	115	M64 G94	M64-G107 WeakPolarHBondContact CB-O 3.4Å; G94-G107 VanDerWaalsContact CA-CA 3.49Å; G94-G107 WeakPolarHBondContact CA-O 3.43Å; G94-G107 PolarHBondContact N-O 2.94Å
108	M	98.7	Very high	92.4	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.015	19%	0.194	C	C	.	.			trans	-155	159.3	169.8	63.9	-175.8	-53	0	0	111.9	M64 C90 I91 V106 I122 F123 V126 P318	M64-M108 HydrophobicContact CB-CB 4.24Å; M64-M108 HydrophobicContact CB-CG 4.28Å; M64-M108 HydrophobicContact CB-SD 4.38Å; M64-M108 HydrophobicContact CG-CB 4.13Å; M64-M108 HydrophobicContact CG-CG 4.47Å; M64-M108 HydrophobicContact CG-SD 4.29Å; C90-M108 HydrophobicContact CB-CE 4.24Å; C90-M108 CarbonylContact O-C 3.55Å; C90-M108 WeakPolarHBondContact O-CA 3.47Å; C90-M108 VanDerWaalsContact O-CB 3.25Å; C90-M108 WeakPolarHBondContact O-CB 3.36Å; I91-M108 HydrophobicContact CG2-CB 4.38Å; I91-M108 HydrophobicContact CG2-CE 4.43Å; V106-M108 HydrophobicContact CG1-CG 4.02Å; M108-I122 HydrophobicContact CE-CG1 4.16Å; M108-I122 HydrophobicContact CE-CG2 3.89Å; M108-I122 HydrophobicContact SD-CG1 4.08Å; M108-F123 HydrophobicContact CE-CD1 3.61Å; M108-F123 HydrophobicContact CE-CD2 3.93Å; M108-F123 HydrophobicContact CE-CE1 3.39Å; M108-F123 HydrophobicContact CE-CE2 3.7Å; M108-F123 HydrophobicContact CE-CG 3.88Å; M108-F123 HydrophobicContact CE-CZ 3.44Å; M108-F123 VanDerWaalsContact CE-CZ 3.44Å; M108-F123 HydrophobicContact CG-CE1 4.22Å; M108-F123 HydrophobicContact SD-CD1 4.01Å; M108-F123 HydrophobicContact SD-CE1 4.09Å; M108-V126 HydrophobicContact CG-CG1 4.26Å; M108-V126 HydrophobicContact SD-CB 4.05Å; M108-V126 HydrophobicContact SD-CG1 3.97Å; M108-V126 HydrophobicContact SD-CG2 3.77Å; M108-P318 HydrophobicContact CG-CG 4.25Å; M108-P318 VanDerWaalsContact O-CD 3.28Å; M108-P318 WeakPolarHBondContact O-CD 3.36Å
109	V	98.9	Very high	92.7	Very high	10 Å²	10	32.9 Å²	32.9	6%	0.061	18%	0.175	C	C	.	.			trans	-134	157.5	178.8	-66	0	0	0	0	110.9	C90 T93 P178 A239 T316	C90-V109 WeakPolarHBondContact CA-O 3.22Å; C90-V109 WeakPolarHBondContact CB-O 3.42Å; C90-V109 PolarHBondContact O-N 3.06Å; T93-V109 HydrophobicContact CG2-CG1 4.28Å; V109-P178 HydrophobicContact CB-CG 4.13Å; V109-P178 HydrophobicContact CG2-CB 4.14Å; V109-P178 HydrophobicContact CG2-CG 3.85Å; V109-A239 HydrophobicContact CG1-CB 4.15Å; V109-A239 HydrophobicContact CG2-CB 4.13Å; V109-T316 WeakPolarHBondContact CA-O 3.18Å; V109-T316 HydrophobicContact CB-CG2 4.15Å; V109-T316 HydrophobicContact CG1-CG2 4.33Å
110	A	98.9	Very high	93.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.			trans	-94.1	138.9	168.5	0	0	0	0	0	110.4	Y116 F123 L176 T316	A110-Y116 HydrophobicContact CB-CD2 3.87Å; A110-Y116 HydrophobicContact CB-CE2 3.3Å; A110-F123 HydrophobicContact CB-CZ 4.17Å; A110-L176 HydrophobicContact CB-CD1 3.85Å; A110-T316 PolarHBondContact N-O 3.24Å
111	G	98.8	Very high	94.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-91.4	-22.6	175.4	0	0	0	0	0	113.3	S115 S175 L176 A179	G111-S115 PolarHBondContact N-OG 3.49Å; G111-S175 CarbonylContact O-C 3.57Å; G111-L176 WeakPolarHBondContact O-CA 3.36Å; G111-L176 WeakPolarHBondContact O-CB 3.27Å; G111-L176 PolarHBondContact O-N 3.5Å; G111-A179 WeakPolarHBondContact O-CB 3.28Å
112	D	98.9	Very high	95.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.141	C	C	.	.	S	Bend	trans	-156.2	176.9	-179.9	49.3	32.3	0	0	0	109.7	T81 E114 S115	T81-D112 WeakPolarHBondContact CB-OD2 3.46Å; T81-D112 VanDerWaalsContact CG2-OD1 3.29Å; T81-D112 WeakPolarHBondContact CG2-OD1 3.42Å; T81-D112 PolarHBondContact OG1-OD2 3.32Å; D112-E114 VanDerWaalsContact C-N 3.31Å; D112-E114 PolarHBondContact O-N 3.44Å; D112-S115 PolarHBondContact N-OG 3.48Å; D112-S115 WeakPolarHBondContact O-CB 3.43Å; D112-S115 PolarHBondContact O-N 2.61Å; D112-S115 PolarHBondContact O-OG 2.91Å; D112-S115 WeakPolarHBondContact OD1-CB 3.31Å; D112-S115 PolarHBondContact OD1-N 3.31Å; D112-S115 PolarHBondContact OD1-OG 2.87Å
113	E	98.8	Very high	96.7	Very high	28 Å²	28	22.2 Å²	22.2	13%	0.131	11%	0.112	C	C	.	.	S	Bend	trans	-64.9	-39.5	-178.1	-170.8	165.5	-160.8	0	0	111	S115 Y116 R172 M306 W307 V314	E113-S115 VanDerWaalsContact C-N 3.28Å; E113-S115 PolarHBondContact O-N 3.12Å; E113-Y116 PolarHBondContact O-N 3.49Å; E113-R172 IonicContact OE1-CZ 3.76Å; E113-R172 IonicContact OE1-NE 3.64Å; E113-R172 IonicContact OE1-NH2 2.72Å; E113-R172 PolarHBondContact OE1-NH2 3.32Å; E113-R172 IonicContact OE2-CZ 2.89Å; E113-R172 IonicContact OE2-NE 3.32Å; E113-R172 PolarHBondContact OE2-NE 2.94Å; E113-R172 IonicContact OE2-NH2 2.86Å; E113-M306 HydrophobicContact CB-CE 4.17Å; E113-M306 HydrophobicContact CB-CG 4.32Å; E113-M306 HydrophobicContact CB-SD 3.82Å; E113-M306 HydrophobicContact CG-CB 4.29Å; E113-M306 HydrophobicContact CG-CG 4.32Å; E113-M306 HydrophobicContact CG-SD 4.29Å; E113-M306 WeakPolarHBondContact OE1-CA 3.39Å; E113-M306 WeakPolarHBondContact OE1-CB 3.39Å; E113-W307 PolarHBondContact OE1-N 2.96Å; E113-V314 HydrophobicContact CG-CG1 4.5Å
114	E	98.8	Very high	97.8	Very high	47 Å²	47	19.5 Å²	19.5	22%	0.22	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-23.6	-177.2	-63.1	81.8	180	0	0	113	A39 P82 D112 Y116 E117 V118	A39-E114 HydrophobicContact CB-CB 4.25Å; A39-E114 HydrophobicContact CB-CG 4.23Å; P82-E114 HydrophobicContact CG-CB 4.47Å; P82-E114 HydrophobicContact CG-CG 4.02Å; D112-E114 VanDerWaalsContact C-N 3.31Å; D112-E114 PolarHBondContact O-N 3.44Å; E114-Y116 PolarHBondContact O-N 3.05Å; E114-Y116 VanDerWaalsContact O-N 3.12Å; E114-E117 PolarHBondContact O-N 3.03Å; E114-V118 HydrophobicContact CB-CG2 4.38Å; E114-V118 WeakPolarHBondContact O-CG2 3.45Å; E114-V118 PolarHBondContact O-N 2.75Å
115	S	98.8	Very high	98.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-48.8	-40.2	174.3	-68.1	0	0	0	0	112.2	G111 D112 E113 E117 F119 F123	G111-S115 PolarHBondContact N-OG 3.49Å; D112-S115 PolarHBondContact N-OG 3.48Å; D112-S115 WeakPolarHBondContact O-CB 3.43Å; D112-S115 PolarHBondContact O-N 2.61Å; D112-S115 PolarHBondContact O-OG 2.91Å; D112-S115 WeakPolarHBondContact OD1-CB 3.31Å; D112-S115 PolarHBondContact OD1-N 3.31Å; D112-S115 PolarHBondContact OD1-OG 2.87Å; E113-S115 VanDerWaalsContact C-N 3.28Å; E113-S115 PolarHBondContact O-N 3.12Å; S115-E117 VanDerWaalsContact C-N 3.25Å; S115-E117 PolarHBondContact O-N 2.93Å; S115-F119 WeakPolarHBondContact O-CB 3.44Å; S115-F119 WeakPolarHBondContact O-CD2 3.36Å; S115-F119 PolarHBondContact O-N 3.14Å; S115-F119 VanDerWaalsContact O-N 3.09Å; S115-F123 WeakPolarHBondContact O-CD2 3.45Å; S115-F123 VanDerWaalsContact O-CE2 3.26Å; S115-F123 WeakPolarHBondContact O-CE2 3.45Å
116	Y	98.8	Very high	98.6	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-71.5	-15.4	180	-75.6	-72.3	0	0	0	114.4	A110 E113 E114 F123 I127 R310 L311 V314 L315 P318 L321	A110-Y116 HydrophobicContact CB-CD2 3.87Å; A110-Y116 HydrophobicContact CB-CE2 3.3Å; E113-Y116 PolarHBondContact O-N 3.49Å; E114-Y116 PolarHBondContact O-N 3.05Å; E114-Y116 VanDerWaalsContact O-N 3.12Å; Y116-F123 HydrophobicContact CD1-CB 4.18Å; Y116-F123 AromaticContact CD1-CD1 3.64Å; Y116-F123 HydrophobicContact CD1-CD1 3.64Å; Y116-F123 HydrophobicContact CD1-CD2 4.32Å; Y116-F123 HydrophobicContact CD1-CE1 4.03Å; Y116-F123 AromaticContact CD1-CG 3.8Å; Y116-F123 HydrophobicContact CD1-CG 3.8Å; Y116-F123 AromaticContact CE1-CD1 3.5Å; Y116-F123 HydrophobicContact CE1-CD1 3.5Å; Y116-F123 AromaticContact CE1-CE1 3.66Å; Y116-F123 HydrophobicContact CE1-CE1 3.66Å; Y116-F123 HydrophobicContact CE1-CG 4.16Å; Y116-F123 HydrophobicContact CE1-CZ 4.44Å; Y116-I127 HydrophobicContact CD1-CD1 4.26Å; Y116-I127 HydrophobicContact CE1-CD1 4.35Å; Y116-R310 PolarHBondContact O-NH2 2.93Å; Y116-L311 HydrophobicContact CD1-CD1 3.86Å; Y116-L311 HydrophobicContact CD2-CD1 4.39Å; Y116-L311 HydrophobicContact CG-CD1 3.73Å; Y116-V314 HydrophobicContact CD2-CG1 3.58Å; Y116-V314 HydrophobicContact CE2-CG1 3.49Å; Y116-V314 VanDerWaalsContact CE2-CG1 3.49Å; Y116-L315 WeakPolarHBondContact CE2-O 3.47Å; Y116-L315 PolarHBondContact OH-O 3.49Å; Y116-P318 HydrophobicContact CE1-CB 4.48Å; Y116-P318 HydrophobicContact CE1-CG 4.17Å; Y116-L321 HydrophobicContact CD1-CD1 4.29Å; Y116-L321 HydrophobicContact CE1-CD1 3.66Å; Y116-L321 HydrophobicContact CE1-CD2 4.16Å; Y116-L321 HydrophobicContact CE1-CG 4.31Å; Y116-L321 HydrophobicContact CE2-CD2 4.11Å
117	E	98.5	Very high	98.7	Very high	83 Å²	83	15.9 Å²	15.9	39%	0.388	8%	0.084	S	C	.	.	H	α-helix	trans	-99.4	-52.4	175.6	-174.4	-176.8	158.6	0	0	110.6	A39 E114 S115 F119 A120	A39-E117 HydrophobicContact CB-CB 4.34Å; A39-E117 VanDerWaalsContact CB-CD 3.45Å; A39-E117 HydrophobicContact CB-CG 4.16Å; A39-E117 WeakPolarHBondContact CB-OE2 3.41Å; A39-E117 PolarHBondContact N-OE1 3.05Å; E114-E117 PolarHBondContact O-N 3.03Å; S115-E117 VanDerWaalsContact C-N 3.25Å; S115-E117 PolarHBondContact O-N 2.93Å; E117-F119 VanDerWaalsContact C-N 3.26Å; E117-F119 PolarHBondContact O-N 2.93Å; E117-A120 VanDerWaalsContact O-CB 3.27Å; E117-A120 WeakPolarHBondContact O-CB 3.35Å; E117-A120 PolarHBondContact O-N 3.32Å; E117-A120 VanDerWaalsContact O-N 3.14Å
118	V	98.6	Very high	98.6	Very high	8 Å²	8	19.3 Å²	19.3	5%	0.048	10%	0.097	C	C	.	.	H	α-helix	trans	-58.7	-39.8	-178.4	177.8	0	0	0	0	111.6	A39 V41 K79 T81 E114	A39-V118 HydrophobicContact CB-CG2 3.94Å; V41-V118 HydrophobicContact CG1-CG1 4.26Å; V41-V118 HydrophobicContact CG2-CG1 4.25Å; V41-V118 HydrophobicContact CG2-CG2 4.08Å; K79-V118 HydrophobicContact CB-CG1 4.08Å; T81-V118 HydrophobicContact CG2-CB 4.35Å; T81-V118 HydrophobicContact CG2-CG2 4.27Å; E114-V118 HydrophobicContact CB-CG2 4.38Å; E114-V118 WeakPolarHBondContact O-CG2 3.45Å; E114-V118 PolarHBondContact O-N 2.75Å
119	F	98.8	Very high	98.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	25.9	-179.8	-47.4	-64.7	0	0	0	112.4	L76 K79 T81 Y85 L87 S115 E117 E121 I122 F123	L76-F119 HydrophobicContact CB-CD1 4.3Å; L76-F119 HydrophobicContact CD1-CB 4.34Å; L76-F119 HydrophobicContact CD1-CD1 4.45Å; K79-F119 HydrophobicContact CB-CE1 4.05Å; T81-F119 HydrophobicContact CG2-CE2 3.69Å; T81-F119 HydrophobicContact CG2-CZ 4.29Å; Y85-F119 WeakPolarHBondContact O-CZ 3.5Å; L87-F119 HydrophobicContact CB-CD1 4.12Å; L87-F119 HydrophobicContact CB-CE1 3.95Å; L87-F119 HydrophobicContact CD1-CD1 4.35Å; S115-F119 WeakPolarHBondContact O-CB 3.44Å; S115-F119 WeakPolarHBondContact O-CD2 3.36Å; S115-F119 PolarHBondContact O-N 3.14Å; S115-F119 VanDerWaalsContact O-N 3.09Å; E117-F119 VanDerWaalsContact C-N 3.26Å; E117-F119 PolarHBondContact O-N 2.93Å; F119-E121 PolarHBondContact O-N 2.94Å; F119-E121 VanDerWaalsContact O-N 3.1Å; F119-I122 HydrophobicContact CB-CG2 3.99Å; F119-I122 WeakPolarHBondContact O-CG2 3.17Å; F119-I122 PolarHBondContact O-N 3.39Å; F119-F123 HydrophobicContact CB-CD2 3.75Å; F119-F123 HydrophobicContact CB-CE2 3.84Å; F119-F123 HydrophobicContact CD2-CE2 4.27Å; F119-F123 WeakPolarHBondContact O-CD2 3.36Å; F119-F123 PolarHBondContact O-N 2.77Å
120	A	98.7	Very high	98.2	Very high	21 Å²	21	24.3 Å²	24.3	17%	0.174	12%	0.121	C	C	.	.	H	α-helix	trans	-53.2	-33.8	-178.5	0	0	0	0	0	113.3	E117 I122 F123 D124	E117-A120 VanDerWaalsContact O-CB 3.27Å; E117-A120 WeakPolarHBondContact O-CB 3.35Å; E117-A120 PolarHBondContact O-N 3.32Å; E117-A120 VanDerWaalsContact O-N 3.14Å; A120-I122 PolarHBondContact O-N 3.16Å; A120-I122 VanDerWaalsContact O-N 3.13Å; A120-F123 PolarHBondContact O-N 2.84Å; A120-D124 VanDerWaalsContact O-CB 3.25Å; A120-D124 WeakPolarHBondContact O-CB 3.03Å; A120-D124 VanDerWaalsContact O-CG 3.26Å; A120-D124 PolarHBondContact O-N 2.69Å
121	E	98.6	Very high	98	Very high	78 Å²	78	24.4 Å²	24.4	36%	0.364	12%	0.122	S	C	.	.	H	α-helix	trans	-62.7	-21	-180	-69.5	-178.2	-116.9	0	0	114.5	K75 L76 F119 P125	K75-E121 WeakPolarHBondContact CD-OE1 3.38Å; K75-E121 WeakPolarHBondContact CD-OE2 3.35Å; K75-E121 WeakPolarHBondContact CE-OE1 3.28Å; K75-E121 WeakPolarHBondContact CE-OE2 2.93Å; K75-E121 IonicContact NZ-OE1 2.64Å; K75-E121 PolarHBondContact NZ-OE1 3.26Å; K75-E121 IonicContact NZ-OE2 2.81Å; K75-E121 PolarHBondContact NZ-OE2 3.42Å; L76-E121 HydrophobicContact CD1-CB 4.15Å; F119-E121 PolarHBondContact O-N 2.94Å; F119-E121 VanDerWaalsContact O-N 3.1Å; E121-P125 WeakPolarHBondContact O-CD 3.45Å; E121-P125 WeakPolarHBondContact O-CG 3.44Å
122	I	98.8	Very high	97.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-103.7	-36.6	168.8	-175.6	59	0	0	0	112.3	C67 L68 I72 L76 L87 M108 F119 A120 P125 V126	C67-I122 HydrophobicContact CB-CD1 3.84Å; L68-I122 HydrophobicContact CB-CD1 4.16Å; L68-I122 HydrophobicContact CD1-CD1 4.05Å; L68-I122 HydrophobicContact CD1-CG1 4.33Å; I72-I122 HydrophobicContact CG2-CB 3.96Å; L76-I122 HydrophobicContact CD1-CB 4.25Å; L76-I122 HydrophobicContact CD1-CG2 3.8Å; L87-I122 HydrophobicContact CD1-CG2 3.8Å; M108-I122 HydrophobicContact CE-CG1 4.16Å; M108-I122 HydrophobicContact CE-CG2 3.89Å; M108-I122 HydrophobicContact SD-CG1 4.08Å; F119-I122 HydrophobicContact CB-CG2 3.99Å; F119-I122 WeakPolarHBondContact O-CG2 3.17Å; F119-I122 PolarHBondContact O-N 3.39Å; A120-I122 PolarHBondContact O-N 3.16Å; A120-I122 VanDerWaalsContact O-N 3.13Å; I122-P125 WeakPolarHBondContact O-CD 3.49Å; I122-P125 WeakPolarHBondContact O-CG 3.42Å; I122-V126 HydrophobicContact CD1-CG2 4.13Å; I122-V126 HydrophobicContact CG1-CG2 4.42Å; I122-V126 WeakPolarHBondContact O-CB 3.48Å; I122-V126 VanDerWaalsContact O-CG2 3.25Å; I122-V126 WeakPolarHBondContact O-CG2 3.48Å; I122-V126 PolarHBondContact O-N 2.72Å
123	F	98.8	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.4	-44.5	179.8	-84.3	-72.2	0	0	0	112.5	C90 M108 A110 S115 Y116 F119 A120 V126 I127 P318	C90-F123 HydrophobicContact CB-CZ 4.46Å; M108-F123 HydrophobicContact CE-CD1 3.61Å; M108-F123 HydrophobicContact CE-CD2 3.93Å; M108-F123 HydrophobicContact CE-CE1 3.39Å; M108-F123 HydrophobicContact CE-CE2 3.7Å; M108-F123 HydrophobicContact CE-CG 3.88Å; M108-F123 HydrophobicContact CE-CZ 3.44Å; M108-F123 VanDerWaalsContact CE-CZ 3.44Å; M108-F123 HydrophobicContact CG-CE1 4.22Å; M108-F123 HydrophobicContact SD-CD1 4.01Å; M108-F123 HydrophobicContact SD-CE1 4.09Å; A110-F123 HydrophobicContact CB-CZ 4.17Å; S115-F123 WeakPolarHBondContact O-CD2 3.45Å; S115-F123 VanDerWaalsContact O-CE2 3.26Å; S115-F123 WeakPolarHBondContact O-CE2 3.45Å; Y116-F123 HydrophobicContact CD1-CB 4.18Å; Y116-F123 AromaticContact CD1-CD1 3.64Å; Y116-F123 HydrophobicContact CD1-CD1 3.64Å; Y116-F123 HydrophobicContact CD1-CD2 4.32Å; Y116-F123 HydrophobicContact CD1-CE1 4.03Å; Y116-F123 AromaticContact CD1-CG 3.8Å; Y116-F123 HydrophobicContact CD1-CG 3.8Å; Y116-F123 AromaticContact CE1-CD1 3.5Å; Y116-F123 HydrophobicContact CE1-CD1 3.5Å; Y116-F123 AromaticContact CE1-CE1 3.66Å; Y116-F123 HydrophobicContact CE1-CE1 3.66Å; Y116-F123 HydrophobicContact CE1-CG 4.16Å; Y116-F123 HydrophobicContact CE1-CZ 4.44Å; F119-F123 HydrophobicContact CB-CD2 3.75Å; F119-F123 HydrophobicContact CB-CE2 3.84Å; F119-F123 HydrophobicContact CD2-CE2 4.27Å; F119-F123 WeakPolarHBondContact O-CD2 3.36Å; F119-F123 PolarHBondContact O-N 2.77Å; A120-F123 PolarHBondContact O-N 2.84Å; F123-V126 PolarHBondContact O-N 2.91Å; F123-I127 HydrophobicContact CB-CD1 4.26Å; F123-I127 WeakPolarHBondContact O-CB 3.49Å; F123-I127 WeakPolarHBondContact O-CD1 3.41Å; F123-I127 WeakPolarHBondContact O-CG1 3.4Å; F123-I127 PolarHBondContact O-N 2.99Å; F123-P318 HydrophobicContact CD1-CG 3.83Å; F123-P318 HydrophobicContact CE1-CG 3.7Å
124	D	98.7	Very high	97.1	Very high	16 Å²	16	28.6 Å²	28.6	9%	0.086	15%	0.152	C	C	.	.	H	α-helix	trans	-59.8	-49.1	-177	-68.5	-13.2	0	0	0	113.4	A120 V126 I127 K128 P136 R137 R310	A120-D124 VanDerWaalsContact O-CB 3.25Å; A120-D124 WeakPolarHBondContact O-CB 3.03Å; A120-D124 VanDerWaalsContact O-CG 3.26Å; A120-D124 PolarHBondContact O-N 2.69Å; D124-V126 VanDerWaalsContact C-N 3.34Å; D124-V126 PolarHBondContact O-N 2.94Å; D124-I127 PolarHBondContact O-N 2.6Å; D124-K128 WeakPolarHBondContact O-CB 3.26Å; D124-K128 PolarHBondContact O-N 2.96Å; D124-P136 HydrophobicContact CB-CG 3.91Å; D124-P136 WeakPolarHBondContact OD1-CG 3.35Å; D124-R137 HydrophobicContact CB-CG 4.13Å; D124-R137 WeakPolarHBondContact OD2-CG 3.34Å; D124-R310 IonicContact OD1-NH1 2.72Å; D124-R310 PolarHBondContact OD1-NH1 3.44Å
125	P	98.5	Very high	97.1	Very high	29 Å²	29	26.9 Å²	26.9	19%	0.188	15%	0.145	C	C	.	.	H	α-helix	trans	-64.5	-37.2	174.7	23.7	-32.3	0	0	0	112.5	C67 E121 I122 K128 V129	C67-P125 HydrophobicContact CB-CB 4.17Å; C67-P125 HydrophobicContact CB-CG 4.26Å; E121-P125 WeakPolarHBondContact O-CD 3.45Å; E121-P125 WeakPolarHBondContact O-CG 3.44Å; I122-P125 WeakPolarHBondContact O-CD 3.49Å; I122-P125 WeakPolarHBondContact O-CG 3.42Å; P125-K128 PolarHBondContact O-N 3.36Å; P125-V129 WeakPolarHBondContact O-CG2 3.37Å; P125-V129 PolarHBondContact O-N 3.26Å
126	V	98.6	Very high	97	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.4	-43	176.4	168.1	0	0	0	0	111.7	C63 C67 V106 M108 I122 F123 D124 K128 V129 R130	C63-V126 HydrophobicContact CB-CG1 4.01Å; C67-V126 HydrophobicContact CB-CG2 3.69Å; V106-V126 HydrophobicContact CG1-CG1 3.59Å; M108-V126 HydrophobicContact CG-CG1 4.26Å; M108-V126 HydrophobicContact SD-CB 4.05Å; M108-V126 HydrophobicContact SD-CG1 3.97Å; M108-V126 HydrophobicContact SD-CG2 3.77Å; I122-V126 HydrophobicContact CD1-CG2 4.13Å; I122-V126 HydrophobicContact CG1-CG2 4.42Å; I122-V126 WeakPolarHBondContact O-CB 3.48Å; I122-V126 VanDerWaalsContact O-CG2 3.25Å; I122-V126 WeakPolarHBondContact O-CG2 3.48Å; I122-V126 PolarHBondContact O-N 2.72Å; F123-V126 PolarHBondContact O-N 2.91Å; D124-V126 VanDerWaalsContact C-N 3.34Å; D124-V126 PolarHBondContact O-N 2.94Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-V129 PolarHBondContact O-N 3.03Å; V126-R130 VanDerWaalsContact O-CB 3.26Å; V126-R130 WeakPolarHBondContact O-CB 3.43Å; V126-R130 PolarHBondContact O-N 2.74Å
127	I	98.4	Very high	96.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.1	-46.9	174.6	-71.7	165.2	0	0	0	109.3	Y116 F123 D124 V129 R130 H131 Y134 P136 L311 P318 L321 M376	Y116-I127 HydrophobicContact CD1-CD1 4.26Å; Y116-I127 HydrophobicContact CE1-CD1 4.35Å; F123-I127 HydrophobicContact CB-CD1 4.26Å; F123-I127 WeakPolarHBondContact O-CB 3.49Å; F123-I127 WeakPolarHBondContact O-CD1 3.41Å; F123-I127 WeakPolarHBondContact O-CG1 3.4Å; F123-I127 PolarHBondContact O-N 2.99Å; D124-I127 PolarHBondContact O-N 2.6Å; I127-V129 PolarHBondContact O-N 3.2Å; I127-R130 PolarHBondContact O-N 2.84Å; I127-H131 WeakPolarHBondContact O-CB 3.44Å; I127-H131 PolarHBondContact O-CD2 2.72Å; I127-H131 PolarHBondContact O-N 3.24Å; I127-Y134 HydrophobicContact CG2-CD1 4.27Å; I127-P136 HydrophobicContact CB-CG 4.3Å; I127-P136 HydrophobicContact CD1-CG 4.35Å; I127-P136 HydrophobicContact CG2-CG 3.99Å; I127-L311 HydrophobicContact CD1-CD2 3.93Å; I127-P318 HydrophobicContact CG1-CB 4.19Å; I127-L321 HydrophobicContact CD1-CD1 3.5Å; I127-L321 HydrophobicContact CG1-CD1 3.78Å; I127-M376 HydrophobicContact CG2-SD 3.84Å
128	K	97.1	Very high	96.9	Very high	79 Å²	79	35.4 Å²	35.4	34%	0.343	19%	0.187	S	C	.	.	H	α-helix	trans	-59.6	-45.6	178.6	-172.5	176.3	-172	163.3	0	112.6	D124 P125 V126 N132 G133 Y134 D135	D124-K128 WeakPolarHBondContact O-CB 3.26Å; D124-K128 PolarHBondContact O-N 2.96Å; P125-K128 PolarHBondContact O-N 3.36Å; V126-K128 VanDerWaalsContact C-N 3.33Å; K128-N132 PolarHBondContact O-N 3.33Å; K128-G133 PolarHBondContact O-N 3.47Å; K128-Y134 VanDerWaalsContact CA-O 3.24Å; K128-Y134 WeakPolarHBondContact CA-O 3.42Å; K128-D135 HydrophobicContact CD-CB 4.17Å; K128-D135 WeakPolarHBondContact CD-OD2 3.31Å; K128-D135 IonicContact NZ-OD2 3.31Å; K128-D135 PolarHBondContact NZ-OD2 3.11Å
129	V	94.4	Very high	96.8	Very high	65 Å²	65	37.5 Å²	37.5	39%	0.394	20%	0.197	S	C	.	.	H	α-helix	trans	-64.4	-47.8	176	170.5	0	0	0	0	110.5	C63 P125 V126 I127 H131 N132	C63-V129 HydrophobicContact CB-CG1 4.36Å; P125-V129 WeakPolarHBondContact O-CG2 3.37Å; P125-V129 PolarHBondContact O-N 3.26Å; V126-V129 PolarHBondContact O-N 3.03Å; I127-V129 PolarHBondContact O-N 3.2Å; V129-H131 VanDerWaalsContact C-N 3.35Å; V129-H131 PolarHBondContact O-N 2.81Å; V129-N132 PolarHBondContact O-N 3.04Å
130	R	94	Very high	96.7	Very high	53 Å²	53	43 Å²	43	20%	0.2	22%	0.221	C	C	.	.	H	α-helix	trans	-68.2	-33.6	-174.3	-178	58.4	-172.2	88.4	-7.9	113.2	V106 V126 I127	V106-R130 HydrophobicContact CG2-CG 3.96Å; V126-R130 VanDerWaalsContact O-CB 3.26Å; V126-R130 WeakPolarHBondContact O-CB 3.43Å; V126-R130 PolarHBondContact O-N 2.74Å; I127-R130 PolarHBondContact O-N 2.84Å
131	H	93.9	Very high	96.6	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.014	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	30.5	-179.2	-61.9	-78.6	0	0	0	112.3	I127 V129 G133 Y134 P318 S319 M376	I127-H131 WeakPolarHBondContact O-CB 3.44Å; I127-H131 PolarHBondContact O-CD2 2.72Å; I127-H131 PolarHBondContact O-N 3.24Å; V129-H131 VanDerWaalsContact C-N 3.35Å; V129-H131 PolarHBondContact O-N 2.81Å; H131-G133 VanDerWaalsContact C-N 3.33Å; H131-G133 PolarHBondContact O-N 2.86Å; H131-Y134 PolarHBondContact O-N 2.65Å; H131-P318 PolarHBondContact NE2-O 3.47Å; H131-S319 PolarHBondContact CE1-O 3.16Å; H131-M376 HydrophobicContact CB-CB 4.13Å; H131-M376 VanDerWaalsContact CD2-SD 3.54Å
132	N	89	Confident	96.5	Very high	86 Å²	86	43.7 Å²	43.7	46%	0.46	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	50.2	168.4	-161.8	36.8	0	0	0	114	K128 V129 Q415	K128-N132 PolarHBondContact O-N 3.33Å; V129-N132 PolarHBondContact O-N 3.04Å; N132-Q415 VanDerWaalsContact ND2-CD 3.28Å; N132-Q415 PolarHBondContact ND2-OE1 2.78Å; N132-Q415 WeakPolarHBondContact O-CG 3.31Å
133	G	93.7	Very high	96.4	Very high	30 Å²	30	46 Å²	46	31%	0.309	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.6	-7.6	173.8	0	0	0	0	0	115.5	K128 H131 D135 F416	K128-G133 PolarHBondContact O-N 3.47Å; H131-G133 VanDerWaalsContact C-N 3.33Å; H131-G133 PolarHBondContact O-N 2.86Å; G133-D135 PolarHBondContact O-N 3.35Å; G133-F416 VanDerWaalsContact C-CZ 3.47Å
134	Y	96.7	Very high	96.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.243	C	C	.	.			trans	-61	111.4	174.6	-177.6	-88.9	0	0	0	109.5	I127 K128 H131 P136 M139 K140 H141 R310 M376 F416	I127-Y134 HydrophobicContact CG2-CD1 4.27Å; K128-Y134 VanDerWaalsContact CA-O 3.24Å; K128-Y134 WeakPolarHBondContact CA-O 3.42Å; H131-Y134 PolarHBondContact O-N 2.65Å; Y134-P136 HydrophobicContact CE1-CB 4.2Å; Y134-P136 WeakPolarHBondContact O-CD 3.32Å; Y134-M139 HydrophobicContact CD2-CB 4.23Å; Y134-M139 HydrophobicContact CD2-CE 3.8Å; Y134-M139 HydrophobicContact CD2-SD 3.95Å; Y134-M139 HydrophobicContact CE2-CB 3.74Å; Y134-M139 HydrophobicContact CE2-CE 4.16Å; Y134-M139 HydrophobicContact CE2-SD 4.4Å; Y134-M139 HydrophobicContact CG-SD 4.36Å; Y134-K140 PolarHBondContact OH-O 3.33Å; Y134-H141 PolarHBondContact OH-N 3.49Å; Y134-H141 VanDerWaalsContact OH-N 3.11Å; Y134-R310 WeakPolarHBondContact CE1-O 3.14Å; Y134-R310 PolarHBondContact OH-O 3.49Å; Y134-M376 HydrophobicContact CD1-CB 4.21Å; Y134-M376 HydrophobicContact CD1-CE 3.7Å; Y134-M376 HydrophobicContact CD1-SD 4.02Å; Y134-M376 HydrophobicContact CD2-CB 4.38Å; Y134-M376 HydrophobicContact CE1-CE 3.28Å; Y134-M376 HydrophobicContact CE1-SD 4.23Å; Y134-M376 HydrophobicContact CG-CB 4.08Å; Y134-F416 HydrophobicContact CD2-CE1 4.42Å
135	D	97.4	Very high	96.4	Very high	12 Å²	12	47.6 Å²	47.6	6%	0.064	24%	0.243	C	C	.	.			trans	-103.6	102.3	-175	-164.7	-32.1	0	0	0	110.1	K128 G133 R137 T138 M139	K128-D135 HydrophobicContact CD-CB 4.17Å; K128-D135 WeakPolarHBondContact CD-OD2 3.31Å; K128-D135 IonicContact NZ-OD2 3.31Å; K128-D135 PolarHBondContact NZ-OD2 3.11Å; G133-D135 PolarHBondContact O-N 3.35Å; D135-R137 PolarHBondContact O-N 2.94Å; D135-R137 WeakPolarHBondContact OD1-CB 3.32Å; D135-R137 IonicContact OD1-CZ 3.3Å; D135-R137 PolarHBondContact OD1-N 2.74Å; D135-R137 IonicContact OD1-NE 2.84Å; D135-R137 PolarHBondContact OD1-NE 3.49Å; D135-R137 IonicContact OD1-NH2 3.04Å; D135-R137 PolarHBondContact OD1-NH2 2.82Å; D135-R137 IonicContact OD2-CZ 3.33Å; D135-R137 IonicContact OD2-NE 2.91Å; D135-R137 IonicContact OD2-NH2 3.76Å; D135-R137 PolarHBondContact OD2-NH2 3.3Å; D135-T138 PolarHBondContact O-N 3.13Å; D135-T138 PolarHBondContact O-OG1 3.06Å; D135-M139 PolarHBondContact N-SD 3Å; D135-M139 VanDerWaalsContact N-SD 3.36Å; D135-M139 WeakPolarHBondContact O-CB 3.45Å; D135-M139 PolarHBondContact O-N 3.36Å
136	P	97.2	Very high	96.4	Very high	5 Å²	5	49 Å²	49	3%	0.032	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-9.6	-174.7	29.1	-37.1	0	0	0	113.6	D124 I127 Y134 L311	D124-P136 HydrophobicContact CB-CG 3.91Å; D124-P136 WeakPolarHBondContact OD1-CG 3.35Å; I127-P136 HydrophobicContact CB-CG 4.3Å; I127-P136 HydrophobicContact CD1-CG 4.35Å; I127-P136 HydrophobicContact CG2-CG 3.99Å; Y134-P136 HydrophobicContact CE1-CB 4.2Å; Y134-P136 WeakPolarHBondContact O-CD 3.32Å; P136-L311 HydrophobicContact CB-CD2 3.65Å; P136-L311 HydrophobicContact CG-CD2 4.46Å
137	R	97.4	Very high	96.4	Very high	144 Å²	144	49.5 Å²	49.5	54%	0.543	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-21.8	175.5	-59.5	168	-66.9	-170.6	0.1	112.9	D124 D135	D124-R137 HydrophobicContact CB-CG 4.13Å; D124-R137 WeakPolarHBondContact OD2-CG 3.34Å; D135-R137 PolarHBondContact O-N 2.94Å; D135-R137 WeakPolarHBondContact OD1-CB 3.32Å; D135-R137 IonicContact OD1-CZ 3.3Å; D135-R137 PolarHBondContact OD1-N 2.74Å; D135-R137 IonicContact OD1-NE 2.84Å; D135-R137 PolarHBondContact OD1-NE 3.49Å; D135-R137 IonicContact OD1-NH2 3.04Å; D135-R137 PolarHBondContact OD1-NH2 2.82Å; D135-R137 IonicContact OD2-CZ 3.33Å; D135-R137 IonicContact OD2-NE 2.91Å; D135-R137 IonicContact OD2-NH2 3.76Å; D135-R137 PolarHBondContact OD2-NH2 3.3Å
138	T	97.4	Very high	96.3	Very high	114 Å²	114	53.4 Å²	53.4	70%	0.699	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.4	-11.5	-171.7	63.2	0	0	0	0	113.5	D135	D135-T138 PolarHBondContact O-N 3.13Å; D135-T138 PolarHBondContact O-OG1 3.06Å
139	M	96.8	Very high	96.4	Very high	52 Å²	52	54.6 Å²	54.6	26%	0.256	29%	0.285	S	S	.	.			trans	-116.2	153.9	-177.5	-58.4	-179.2	71.4	0	0	110.9	Y134 D135 F416	Y134-M139 HydrophobicContact CD2-CB 4.23Å; Y134-M139 HydrophobicContact CD2-CE 3.8Å; Y134-M139 HydrophobicContact CD2-SD 3.95Å; Y134-M139 HydrophobicContact CE2-CB 3.74Å; Y134-M139 HydrophobicContact CE2-CE 4.16Å; Y134-M139 HydrophobicContact CE2-SD 4.4Å; Y134-M139 HydrophobicContact CG-SD 4.36Å; D135-M139 PolarHBondContact N-SD 3Å; D135-M139 VanDerWaalsContact N-SD 3.36Å; D135-M139 WeakPolarHBondContact O-CB 3.45Å; D135-M139 PolarHBondContact O-N 3.36Å; M139-F416 HydrophobicContact CE-CD1 3.98Å; M139-F416 HydrophobicContact CE-CD2 3.99Å; M139-F416 HydrophobicContact CE-CE1 4.12Å; M139-F416 HydrophobicContact CE-CE2 4.12Å; M139-F416 HydrophobicContact CE-CG 3.93Å; M139-F416 HydrophobicContact CE-CZ 4.19Å; M139-F416 HydrophobicContact SD-CZ 4.39Å
140	K	96.6	Very high	96.6	Very high	116 Å²	116	51.6 Å²	51.6	50%	0.504	27%	0.267	S	S	.	.			trans	-114.9	151.5	170.8	-61.1	-170.9	-178.7	-160.3	0	109.6	Y134 E309	Y134-K140 PolarHBondContact OH-O 3.33Å; K140-E309 WeakPolarHBondContact CA-O 3.33Å; K140-E309 HydrophobicContact CD-CG 4.49Å; K140-E309 VanDerWaalsContact CE-CD 3.46Å; K140-E309 WeakPolarHBondContact CE-OE1 3.05Å; K140-E309 WeakPolarHBondContact CE-OE2 3.12Å; K140-E309 IonicContact NZ-OE1 2.84Å; K140-E309 PolarHBondContact NZ-OE1 3.45Å; K140-E309 IonicContact NZ-OE2 2.69Å; K140-E309 PolarHBondContact NZ-OE2 3.41Å
141	H	96.6	Very high	96.6	Very high	7 Å²	7	54 Å²	54	3%	0.032	29%	0.287	C	S	.	.			trans	-101.3	133.3	177.3	-173.2	64.4	0	0	0	110.2	Y134 E309 G322 T323 R378	Y134-H141 PolarHBondContact OH-N 3.49Å; Y134-H141 VanDerWaalsContact OH-N 3.11Å; H141-E309 PolarHBondContact N-O 2.89Å; H141-G322 VanDerWaalsContact NE2-CA 3.35Å; H141-G322 WeakPolarHBondContact NE2-CA 3.45Å; H141-T323 PolarHBondContact NE2-N 2.74Å; H141-R378 PolarHBondContact CE1-O 3.32Å; H141-R378 VanDerWaalsContact CE1-O 3.29Å
142	H	95.6	Very high	96.6	Very high	106 Å²	106	61.2 Å²	61.2	49%	0.491	32%	0.321	S	S	.	.			trans	-107.1	123	178.5	-61	-74.5	0	0	0	109.6	S379	H142-S379 WeakPolarHBondContact O-CA 3.31Å; H142-S379 WeakPolarHBondContact O-CB 3.5Å
143	T	97.7	Very high	96.9	Very high	50 Å²	50	57.3 Å²	57.3	31%	0.307	30%	0.302	S	S	.	.			trans	-90.8	133.4	173.7	-67.3	0	0	0	0	109.5	L145 Y313 E380	T143-L145 HydrophobicContact CG2-CD1 4.41Å; T143-L145 HydrophobicContact CG2-CG 4.3Å; T143-Y313 HydrophobicContact CG2-CE2 3.98Å; T143-E380 WeakPolarHBondContact CA-OE2 3.37Å
144	D	98.3	Very high	97.1	Very high	34 Å²	34	60.5 Å²	60.5	18%	0.182	31%	0.308	C	S	.	.			trans	-142.2	99.9	176.2	-169.7	-0.4	0	0	0	110.8	D146 K149 E380 V381	D144-D146 VanDerWaalsContact OD1-CB 3.31Å; D144-D146 WeakPolarHBondContact OD1-CB 3.21Å; D144-D146 PolarHBondContact OD1-N 3.29Å; D144-D146 VanDerWaalsContact OD1-N 3.11Å; D144-K149 VanDerWaalsContact CG-NZ 3.31Å; D144-K149 IonicContact OD1-NZ 3.32Å; D144-K149 PolarHBondContact OD1-NZ 2.84Å; D144-K149 WeakPolarHBondContact OD2-CD 3.26Å; D144-K149 IonicContact OD2-NZ 2.61Å; D144-K149 PolarHBondContact OD2-NZ 2.83Å; D144-E380 PolarHBondContact N-OE2 3.3Å; D144-E380 WeakPolarHBondContact O-CB 2.95Å; D144-V381 HydrophobicContact CB-CB 4.41Å; D144-V381 HydrophobicContact CB-CG2 4.32Å; D144-V381 WeakPolarHBondContact O-CG2 3.42Å; D144-V381 PolarHBondContact O-N 3.33Å
145	L	98.3	Very high	97.2	Very high	14 Å²	14	60.8 Å²	60.8	7%	0.073	31%	0.31	C	S	.	.			trans	-103.7	30.5	176.9	-67	170.1	0	0	0	111.6	T143 A147 F287 C288 L291 K292 E380	T143-L145 HydrophobicContact CG2-CD1 4.41Å; T143-L145 HydrophobicContact CG2-CG 4.3Å; L145-A147 PolarHBondContact O-N 3.06Å; L145-F287 HydrophobicContact CD2-CE1 4.08Å; L145-C288 HydrophobicContact CB-CB 4.49Å; L145-L291 HydrophobicContact CD1-CD2 3.96Å; L145-L291 HydrophobicContact CD2-CD2 4.24Å; L145-K292 VanDerWaalsContact O-CE 3.22Å; L145-K292 WeakPolarHBondContact O-CE 3.42Å; L145-K292 PolarHBondContact O-NZ 3.43Å; L145-E380 HydrophobicContact CD2-CB 3.92Å; L145-E380 HydrophobicContact CD2-CG 3.72Å
146	D	98.5	Very high	97.2	Very high	59 Å²	59	62.2 Å²	62.2	32%	0.316	32%	0.317	S	S	.	.			trans	-86.7	88.6	172	-175.6	7.2	0	0	0	111.4	D144 S148 K149 V381	D144-D146 VanDerWaalsContact OD1-CB 3.31Å; D144-D146 WeakPolarHBondContact OD1-CB 3.21Å; D144-D146 PolarHBondContact OD1-N 3.29Å; D144-D146 VanDerWaalsContact OD1-N 3.11Å; D146-S148 VanDerWaalsContact CG-OG 3.25Å; D146-S148 PolarHBondContact O-N 2.79Å; D146-S148 VanDerWaalsContact O-N 3.08Å; D146-S148 VanDerWaalsContact OD1-CB 3.32Å; D146-S148 WeakPolarHBondContact OD1-CB 3.36Å; D146-S148 PolarHBondContact OD1-N 3.2Å; D146-S148 VanDerWaalsContact OD1-N 3.12Å; D146-S148 PolarHBondContact OD1-OG 2.78Å; D146-S148 PolarHBondContact OD2-OG 3.32Å; D146-K149 HydrophobicContact CB-CD 4.13Å; D146-K149 HydrophobicContact CB-CG 4.28Å; D146-K149 WeakPolarHBondContact O-CB 3.1Å; D146-K149 PolarHBondContact O-N 2.83Å; D146-K149 WeakPolarHBondContact OD2-CE 3.39Å; D146-V381 VanDerWaalsContact O-CG2 3.27Å; D146-V381 WeakPolarHBondContact O-CG2 3.27Å
147	A	98.4	Very high	97.3	Very high	11 Å²	11	67 Å²	67	9%	0.091	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-59.8	-20	179.5	0	0	0	0	0	113.9	L145 K149 I150 F284 E285 C288	L145-A147 PolarHBondContact O-N 3.06Å; A147-K149 PolarHBondContact O-N 3.3Å; A147-I150 PolarHBondContact O-N 2.82Å; A147-I150 VanDerWaalsContact O-N 3.08Å; A147-F284 HydrophobicContact CB-CD1 3.92Å; A147-F284 HydrophobicContact CB-CE1 4.19Å; A147-E285 HydrophobicContact CB-CB 4.35Å; A147-E285 HydrophobicContact CB-CG 3.87Å; A147-C288 HydrophobicContact CB-CB 4.11Å
148	S	98.2	Very high	97.3	Very high	81 Å²	81	65.6 Å²	65.6	57%	0.566	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-64.8	-24	179.7	75.4	0	0	0	0	113	D146 I150	D146-S148 VanDerWaalsContact CG-OG 3.25Å; D146-S148 PolarHBondContact O-N 2.79Å; D146-S148 VanDerWaalsContact O-N 3.08Å; D146-S148 VanDerWaalsContact OD1-CB 3.32Å; D146-S148 WeakPolarHBondContact OD1-CB 3.36Å; D146-S148 PolarHBondContact OD1-N 3.2Å; D146-S148 VanDerWaalsContact OD1-N 3.12Å; D146-S148 PolarHBondContact OD1-OG 2.78Å; D146-S148 PolarHBondContact OD2-OG 3.32Å; S148-I150 PolarHBondContact O-N 2.89Å
149	K	98.4	Very high	97.3	Very high	105 Å²	105	61.4 Å²	61.4	46%	0.457	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-67.7	-22.1	175.6	-64	178.9	-175.9	172.7	0	112.9	D144 D146 A147 T151 V381	D144-K149 VanDerWaalsContact CG-NZ 3.31Å; D144-K149 IonicContact OD1-NZ 3.32Å; D144-K149 PolarHBondContact OD1-NZ 2.84Å; D144-K149 WeakPolarHBondContact OD2-CD 3.26Å; D144-K149 IonicContact OD2-NZ 2.61Å; D144-K149 PolarHBondContact OD2-NZ 2.83Å; D146-K149 HydrophobicContact CB-CD 4.13Å; D146-K149 HydrophobicContact CB-CG 4.28Å; D146-K149 WeakPolarHBondContact O-CB 3.1Å; D146-K149 PolarHBondContact O-N 2.83Å; D146-K149 WeakPolarHBondContact OD2-CE 3.39Å; A147-K149 PolarHBondContact O-N 3.3Å; K149-T151 PolarHBondContact O-N 2.69Å; K149-T151 VanDerWaalsContact O-N 3.12Å; K149-V381 HydrophobicContact CB-CG1 3.74Å; K149-V381 HydrophobicContact CB-CG2 4.37Å; K149-V381 HydrophobicContact CD-CG1 4.22Å; K149-V381 HydrophobicContact CD-CG2 4.44Å
150	I	98.2	Very high	97.4	Very high	1 Å²	1	59 Å²	59	1%	0.005	30%	0.302	C	S	.	.			trans	-80.2	91.7	169.1	-56.6	-56.7	0	0	0	107.9	A147 S148 Q152 K281 F284 V381 V384 Q385 I388	A147-I150 PolarHBondContact O-N 2.82Å; A147-I150 VanDerWaalsContact O-N 3.08Å; S148-I150 PolarHBondContact O-N 2.89Å; I150-Q152 WeakPolarHBondContact CG2-O 3.47Å; I150-K281 HydrophobicContact CG2-CB 4.22Å; I150-K281 HydrophobicContact CG2-CG 4.3Å; I150-K281 WeakPolarHBondContact O-CD 3.41Å; I150-K281 VanDerWaalsContact O-CE 3.24Å; I150-K281 WeakPolarHBondContact O-CE 3.41Å; I150-K281 PolarHBondContact O-NZ 2.89Å; I150-F284 HydrophobicContact CB-CD1 4.49Å; I150-F284 HydrophobicContact CG1-CD1 3.66Å; I150-F284 HydrophobicContact CG1-CE1 3.83Å; I150-V381 HydrophobicContact CD1-CG1 4.07Å; I150-V384 HydrophobicContact CD1-CB 4.32Å; I150-V384 HydrophobicContact CD1-CG1 4.07Å; I150-V384 HydrophobicContact CG1-CG1 4.18Å; I150-Q385 HydrophobicContact CD1-CB 4.2Å; I150-I388 HydrophobicContact CG2-CD1 3.61Å
151	T	94.1	Very high	97.4	Very high	103 Å²	103	56.7 Å²	56.7	63%	0.632	30%	0.295	S	S	*	.			trans	-77.4	-35.9	-176.7	55.8	0	0	0	0	112.2	K149 K281	K149-T151 PolarHBondContact O-N 2.69Å; K149-T151 VanDerWaalsContact O-N 3.12Å; T151-K281 PolarHBondContact O-NZ 3.01Å
152	Q	93.6	Very high	97.3	Very high	155 Å²	155	57 Å²	57	72%	0.724	30%	0.299	S	S	*	.			trans	-129.6	145.5	177.9	-58.8	-180	9.8	0	0	110	I150	I150-Q152 WeakPolarHBondContact CG2-O 3.47Å
153	G	95.9	Very high	97.4	Very high	5 Å²	5	52 Å²	52	5%	0.052	28%	0.275	C	S	.	.			trans	-176.7	34.4	-178.3	0	0	0	0	0	113.6	N279 M280 K281	G153-N279 CarbonylContact O-C 3.59Å; G153-M280 WeakPolarHBondContact O-CB 3.21Å; G153-M280 PolarHBondContact O-N 2.8Å; G153-K281 PolarHBondContact O-N 2.86Å
154	Q	98.4	Very high	97.5	Very high	96 Å²	96	52.4 Å²	52.4	45%	0.449	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-100.9	121.3	173.2	179	64.9	51.3	0	0	108.8	E157 N279	Q154-E157 PolarHBondContact NE2-OE1 3.05Å; Q154-N279 VanDerWaalsContact OE1-CB 3.23Å
155	F	98.6	Very high	97.5	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.026	26%	0.263	C	S	.	.			trans	-88.8	163.8	173.6	-58.1	-57.3	0	0	0	112.3	E157 V160 G278 M280 V329 I388 V391 N392	F155-E157 PolarHBondContact O-N 2.98Å; F155-V160 HydrophobicContact CB-CB 3.89Å; F155-V160 HydrophobicContact CB-CG1 4.24Å; F155-V160 HydrophobicContact CB-CG2 3.66Å; F155-V160 HydrophobicContact CD2-CG1 4.08Å; F155-V160 HydrophobicContact CD2-CG2 4.28Å; F155-V160 HydrophobicContact CG-CG2 4.04Å; F155-G278 WeakPolarHBondContact CD2-O 3.21Å; F155-G278 PolarHBondContact N-O 2.67Å; F155-M280 HydrophobicContact CD2-CB 4.29Å; F155-M280 HydrophobicContact CE2-CB 3.59Å; F155-M280 HydrophobicContact CE2-CE 4.03Å; F155-M280 HydrophobicContact CE2-CG 4.24Å; F155-M280 HydrophobicContact CZ-CB 4.13Å; F155-V329 HydrophobicContact CD2-CG1 3.83Å; F155-V329 HydrophobicContact CE2-CG1 3.46Å; F155-V329 VanDerWaalsContact CE2-CG1 3.46Å; F155-V329 HydrophobicContact CZ-CG1 4.3Å; F155-I388 HydrophobicContact CE1-CB 4.39Å; F155-I388 HydrophobicContact CE1-CG1 4.43Å; F155-I388 HydrophobicContact CE1-CG2 4.38Å; F155-I388 HydrophobicContact CZ-CB 4.4Å; F155-I388 HydrophobicContact CZ-CG1 4.03Å; F155-V391 HydrophobicContact CD1-CB 4.26Å; F155-V391 HydrophobicContact CD1-CG1 3.76Å; F155-V391 HydrophobicContact CE1-CB 3.67Å; F155-V391 HydrophobicContact CE1-CG1 3.67Å; F155-V391 HydrophobicContact CE2-CG1 4.4Å; F155-V391 HydrophobicContact CG-CG1 4.19Å; F155-V391 HydrophobicContact CZ-CB 3.93Å; F155-V391 HydrophobicContact CZ-CG1 4Å; F155-V391 HydrophobicContact CZ-CG2 4.4Å; F155-N392 WeakPolarHBondContact CD1-OD1 3.15Å
156	D	98.3	Very high	97.5	Very high	42 Å²	42	51.8 Å²	51.8	23%	0.225	27%	0.265	C	S	.	.			trans	-72.5	110.9	169.9	-170.5	-25.5	0	0	0	110.7	N158 Y159 V160 V395 K399	D156-N158 PolarHBondContact O-N 3.13Å; D156-N158 VanDerWaalsContact OD1-CB 3.24Å; D156-N158 WeakPolarHBondContact OD1-CB 3.44Å; D156-N158 PolarHBondContact OD1-N 2.97Å; D156-N158 PolarHBondContact OD1-ND2 3.45Å; D156-Y159 HydrophobicContact CB-CD2 4.14Å; D156-Y159 PolarHBondContact O-N 2.93Å; D156-V160 PolarHBondContact O-N 3Å; D156-V395 HydrophobicContact CB-CG1 4.22Å; D156-K399 WeakPolarHBondContact OD2-CE 3.23Å; D156-K399 IonicContact OD2-NZ 3.8Å; D156-K399 PolarHBondContact OD2-NZ 2.66Å
157	E	97.9	Very high	97.5	Very high	105 Å²	105	49 Å²	49	49%	0.491	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-7.9	-175.4	-54.8	-164.4	160.2	0	0	113.5	Q154 F155 Y159 G278	Q154-E157 PolarHBondContact NE2-OE1 3.05Å; F155-E157 PolarHBondContact O-N 2.98Å; E157-Y159 PolarHBondContact O-N 2.95Å; E157-G278 PolarHBondContact OE1-N 2.94Å
158	N	97.6	Very high	97.5	Very high	115 Å²	115	48.5 Å²	48.5	62%	0.615	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-25.6	167.5	-63	-58.7	0	0	0	111.7	D156 K332	D156-N158 PolarHBondContact O-N 3.13Å; D156-N158 VanDerWaalsContact OD1-CB 3.24Å; D156-N158 WeakPolarHBondContact OD1-CB 3.44Å; D156-N158 PolarHBondContact OD1-N 2.97Å; D156-N158 PolarHBondContact OD1-ND2 3.45Å; N158-K332 WeakPolarHBondContact O-CE 3.43Å; N158-K332 PolarHBondContact O-NZ 3.3Å
159	Y	98	Very high	97.5	Very high	26 Å²	26	44.7 Å²	44.7	10%	0.102	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-45.8	-178.7	-59.6	-93.3	0	0	0	111.8	D156 E157 V331 K332 V395 E398 K399 E402	D156-Y159 HydrophobicContact CB-CD2 4.14Å; D156-Y159 PolarHBondContact O-N 2.93Å; E157-Y159 PolarHBondContact O-N 2.95Å; Y159-V331 WeakPolarHBondContact O-CA 3.17Å; Y159-K332 PolarHBondContact O-N 2.86Å; Y159-V395 HydrophobicContact CD2-CG1 3.68Å; Y159-V395 HydrophobicContact CE2-CG1 4.14Å; Y159-V395 HydrophobicContact CG-CG1 3.95Å; Y159-V395 HydrophobicContact CG-CG2 4.35Å; Y159-E398 HydrophobicContact CD1-CB 4.45Å; Y159-E398 HydrophobicContact CD1-CG 3.94Å; Y159-E398 HydrophobicContact CE1-CB 4.23Å; Y159-E398 HydrophobicContact CE1-CG 3.61Å; Y159-K399 HydrophobicContact CE1-CG 4.49Å; Y159-K399 HydrophobicContact CE2-CD 4.3Å; Y159-K399 HydrophobicContact CE2-CG 3.99Å; Y159-K399 VanDerWaalsContact OH-CG 3.22Å; Y159-K399 WeakPolarHBondContact OH-CG 3.47Å; Y159-E402 WeakPolarHBondContact CE1-OE1 3.45Å; Y159-E402 PolarHBondContact OH-OE1 2.9Å; Y159-E402 PolarHBondContact OH-OE2 3.38Å
160	V	97.9	Very high	97.5	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117.7	-178.3	175.2	0	0	0	0	111	F155 D156 V329 H330 V331 V391	F155-V160 HydrophobicContact CB-CB 3.89Å; F155-V160 HydrophobicContact CB-CG1 4.24Å; F155-V160 HydrophobicContact CB-CG2 3.66Å; F155-V160 HydrophobicContact CD2-CG1 4.08Å; F155-V160 HydrophobicContact CD2-CG2 4.28Å; F155-V160 HydrophobicContact CG-CG2 4.04Å; D156-V160 PolarHBondContact O-N 3Å; V160-V329 HydrophobicContact CG1-CB 3.92Å; V160-V329 HydrophobicContact CG1-CG1 3.89Å; V160-H330 CarbonylContact C-O 3.55Å; V160-H330 WeakPolarHBondContact CA-O 3.33Å; V160-V331 HydrophobicContact CG2-CB 4.27Å; V160-V331 HydrophobicContact CG2-CG2 4.01Å; V160-V391 HydrophobicContact CG2-CG1 3.96Å
161	L	96.2	Very high	97.6	Very high	68 Å²	68	39.7 Å²	39.7	36%	0.356	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-32.2	-175.1	-54.8	-179.4	0	0	0	113.1	G277 H330 K332 V367	L161-G277 PolarHBondContact O-N 3.49Å; L161-H330 HydrophobicContact CB-CB 4.2Å; L161-H330 PolarHBondContact N-O 2.58Å; L161-K332 HydrophobicContact CD1-CG 4.22Å; L161-K332 HydrophobicContact CD2-CD 4.16Å; L161-K332 HydrophobicContact CD2-CG 4.41Å; L161-K332 HydrophobicContact CG-CG 4.4Å; L161-V367 HydrophobicContact CD1-CG1 3.94Å; L161-V367 HydrophobicContact CD1-CG2 3.8Å
162	S	96.1	Very high	97.8	Very high	15 Å²	15	38.6 Å²	38.6	11%	0.105	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	151.8	179.7	56	0	0	0	0	111.2	E275 G277 V329 H330	S162-E275 WeakPolarHBondContact CA-O 3.2Å; S162-E275 WeakPolarHBondContact CB-O 3.25Å; S162-G277 CarbonylContact C-O 3.34Å; S162-G277 WeakPolarHBondContact CA-O 3.35Å; S162-V329 CarbonylContact O-C 3.54Å; S162-V329 VanDerWaalsContact O-CA 3.23Å; S162-V329 WeakPolarHBondContact O-CA 3.26Å; S162-H330 PolarHBondContact O-N 2.62Å
163	S	98	Very high	98	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.7	179.4	-61.5	0	0	0	0	110	M274 E275 G277	S163-M274 VanDerWaalsContact O-CA 3.3Å; S163-M274 WeakPolarHBondContact O-CA 3.44Å; S163-E275 PolarHBondContact N-O 3.49Å; S163-E275 PolarHBondContact O-N 3.32Å; S163-G277 PolarHBondContact N-O 3.49Å; S163-G277 PolarHBondContact OG-O 2.87Å
164	R	98	Very high	98.1	Very high	58 Å²	58	34.8 Å²	34.8	22%	0.219	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	137.2	-175.9	176.6	165.7	-178.8	-97.1	6.3	112.2	I272 S273 M274 A327 G328	R164-I272 HydrophobicContact CG-CG2 4.13Å; R164-S273 CarbonylContact C-O 3.59Å; R164-S273 WeakPolarHBondContact CA-O 3.26Å; R164-M274 HydrophobicContact CB-CB 3.89Å; R164-M274 HydrophobicContact CG-CB 3.92Å; R164-A327 CarbonylContact O-C 3.55Å; R164-A327 WeakPolarHBondContact O-CA 3.25Å; R164-G328 PolarHBondContact N-O 3.41Å; R164-G328 PolarHBondContact O-N 3.07Å
165	V	98.5	Very high	98.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.8	170.2	-176.8	0	0	0	0	108.5	I272 S273 M280 V283 F284 F287 L325 A327	V165-I272 WeakPolarHBondContact O-CA 3.41Å; V165-S273 PolarHBondContact N-O 3.01Å; V165-S273 PolarHBondContact O-N 3.44Å; V165-M280 HydrophobicContact CG2-SD 3.61Å; V165-V283 HydrophobicContact CB-CG1 4.18Å; V165-V283 HydrophobicContact CG2-CG1 3.78Å; V165-F284 HydrophobicContact CG1-CD2 4.3Å; V165-F284 HydrophobicContact CG2-CD2 4.45Å; V165-F287 HydrophobicContact CB-CB 4.47Å; V165-F287 HydrophobicContact CB-CD2 4.14Å; V165-F287 HydrophobicContact CB-CG 4.22Å; V165-F287 HydrophobicContact CG1-CB 4.47Å; V165-F287 HydrophobicContact CG1-CD1 3.9Å; V165-F287 HydrophobicContact CG1-CD2 3.78Å; V165-F287 HydrophobicContact CG1-CE1 4Å; V165-F287 HydrophobicContact CG1-CE2 3.88Å; V165-F287 HydrophobicContact CG1-CG 3.79Å; V165-F287 HydrophobicContact CG1-CZ 3.98Å; V165-L325 HydrophobicContact CG1-CD1 3.9Å; V165-L325 HydrophobicContact CG1-CG 4.1Å; V165-A327 HydrophobicContact CG1-CB 4.47Å; V165-A327 HydrophobicContact CG2-CB 3.94Å
166	R	97.9	Very high	98.2	Very high	34 Å²	34	30.1 Å²	30.1	13%	0.128	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.5	174.3	69.6	179.8	-118.8	169.9	5.6	111.9	E266 R270 V271 I272 L325 R326	R166-E266 IonicContact CZ-OE1 3.31Å; R166-E266 IonicContact NH2-OE1 2.87Å; R166-E266 PolarHBondContact NH2-OE1 3.5Å; R166-R270 VanDerWaalsContact NH2-CZ 3.34Å; R166-V271 CarbonylContact C-O 3.5Å; R166-V271 VanDerWaalsContact CA-O 3.23Å; R166-V271 WeakPolarHBondContact CA-O 3.42Å; R166-I272 HydrophobicContact CB-CG1 3.9Å; R166-L325 CarbonylContact O-C 3.54Å; R166-L325 VanDerWaalsContact O-CA 3.3Å; R166-L325 WeakPolarHBondContact O-CA 3.46Å; R166-R326 HydrophobicContact CG-CB 3.78Å; R166-R326 PolarHBondContact N-O 3.31Å; R166-R326 PolarHBondContact O-N 3.02Å
167	T	98.6	Very high	98.2	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	178.9	163.8	-167.6	0	0	0	0	110.4	R169 R270 V271 F287 L291 T323 G324	T167-R169 PolarHBondContact OG1-NH1 2.96Å; T167-R270 CarbonylContact O-C 3.59Å; T167-R270 WeakPolarHBondContact O-CA 3.44Å; T167-R270 WeakPolarHBondContact O-CD 3.33Å; T167-V271 HydrophobicContact CG2-CB 4.28Å; T167-V271 PolarHBondContact N-O 3Å; T167-V271 PolarHBondContact O-N 3.49Å; T167-F287 HydrophobicContact CG2-CE2 3.82Å; T167-F287 HydrophobicContact CG2-CZ 3.46Å; T167-F287 VanDerWaalsContact CG2-CZ 3.46Å; T167-L291 HydrophobicContact CG2-CD1 4.32Å; T167-L291 HydrophobicContact CG2-CD2 4Å; T167-T323 PolarHBondContact OG1-O 2.78Å; T167-G324 WeakPolarHBondContact CA-O 3.32Å
168	G	98.4	Very high	98.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	157.2	164.9	0	0	0	0	0	111.8	T269	G168-T269 CarbonylContact C-O 3.6Å; G168-T269 WeakPolarHBondContact CA-O 3.11Å
169	R	98.8	Very high	98.3	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.5	166.9	-62.8	-69.6	179.6	-99.1	12	110.2	T167 T269 L291 F305 Y313	T167-R169 PolarHBondContact OG1-NH1 2.96Å; R169-T269 WeakPolarHBondContact CB-OG1 3.47Å; R169-T269 PolarHBondContact N-O 3.1Å; R169-T269 VanDerWaalsContact N-O 3.09Å; R169-T269 PolarHBondContact N-OG1 2.92Å; R169-T269 PolarHBondContact O-N 2.81Å; R169-T269 VanDerWaalsContact O-N 3.08Å; R169-T269 PolarHBondContact O-OG1 3Å; R169-L291 HydrophobicContact CG-CD1 4.05Å; R169-F305 HydrophobicContact CB-CD1 3.7Å; R169-F305 HydrophobicContact CB-CD2 4.4Å; R169-F305 HydrophobicContact CB-CE1 3.54Å; R169-F305 HydrophobicContact CB-CE2 4.23Å; R169-F305 HydrophobicContact CB-CG 4.15Å; R169-F305 HydrophobicContact CB-CZ 3.82Å; R169-F305 HydrophobicContact CG-CD1 4.32Å; R169-F305 HydrophobicContact CG-CD2 4.13Å; R169-F305 HydrophobicContact CG-CE1 4.08Å; R169-F305 HydrophobicContact CG-CE2 3.85Å; R169-F305 HydrophobicContact CG-CG 4.36Å; R169-F305 HydrophobicContact CG-CZ 3.83Å; R169-Y313 VanDerWaalsContact CD-CD1 3.47Å; R169-Y313 VanDerWaalsContact CZ-CD2 3.42Å; R169-Y313 VanDerWaalsContact CZ-CE2 3.44Å; R169-Y313 VanDerWaalsContact NE-CE1 3.35Å; R169-Y313 VanDerWaalsContact NH2-CD2 3.31Å
170	S	98.9	Very high	98.3	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.014	11%	0.108	C	C	.	.			trans	-111.3	139.9	174.7	-60.9	0	0	0	0	110.4	L176 F305 M306 V314 L315	S170-L176 VanDerWaalsContact OG-CD2 3.29Å; S170-L176 WeakPolarHBondContact OG-CD2 3.29Å; S170-F305 CarbonylContact O-C 3.55Å; S170-F305 VanDerWaalsContact O-CA 3.24Å; S170-F305 WeakPolarHBondContact O-CA 3.48Å; S170-M306 WeakPolarHBondContact CB-SD 3.48Å; S170-M306 PolarHBondContact O-N 3.37Å; S170-V314 WeakPolarHBondContact CB-O 3.34Å; S170-V314 PolarHBondContact OG-O 3.43Å; S170-V314 VanDerWaalsContact OG-O 3.12Å; S170-L315 WeakPolarHBondContact OG-CD2 3.46Å
171	I	98.9	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-86.7	119.2	179.4	-52.5	-58.9	0	0	0	108.4	L174 V188 V192 H268 I298 W303 F305 M306	I171-L174 HydrophobicContact CB-CD1 4.31Å; I171-L174 HydrophobicContact CG2-CD1 4.06Å; I171-L174 PolarHBondContact O-N 2.9Å; I171-V188 HydrophobicContact CG1-CG1 4.47Å; I171-V192 HydrophobicContact CD1-CG2 4.29Å; I171-V192 HydrophobicContact CG1-CG2 4.38Å; I171-H268 PolarHBondContact N-ND1 3.02Å; I171-I298 HydrophobicContact CD1-CD1 3.99Å; I171-I298 HydrophobicContact CD1-CG2 4.38Å; I171-W303 HydrophobicContact CG2-CB 4.38Å; I171-W303 HydrophobicContact CG2-CD2 4.05Å; I171-W303 HydrophobicContact CG2-CE3 3.45Å; I171-W303 VanDerWaalsContact CG2-CE3 3.45Å; I171-W303 HydrophobicContact CG2-CG 4.47Å; I171-W303 HydrophobicContact CG2-CZ3 4.05Å; I171-F305 HydrophobicContact CD1-CD1 3.95Å; I171-F305 HydrophobicContact CD1-CE1 3.76Å; I171-M306 VanDerWaalsContact O-CE 3.29Å; I171-M306 WeakPolarHBondContact O-CE 3.49Å
172	R	98.8	Very high	98.5	Very high	79 Å²	79	25.2 Å²	25.2	30%	0.298	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	142.5	-179.1	175.3	167.9	-75.1	172.3	1.2	111.2	E113 L174 E304 M306 W307	E113-R172 IonicContact OE1-CZ 3.76Å; E113-R172 IonicContact OE1-NE 3.64Å; E113-R172 IonicContact OE1-NH2 2.72Å; E113-R172 PolarHBondContact OE1-NH2 3.32Å; E113-R172 IonicContact OE2-CZ 2.89Å; E113-R172 IonicContact OE2-NE 3.32Å; E113-R172 PolarHBondContact OE2-NE 2.94Å; E113-R172 IonicContact OE2-NH2 2.86Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-E304 HydrophobicContact CB-CB 4.33Å; R172-E304 WeakPolarHBondContact CB-O 3.33Å; R172-E304 PolarHBondContact N-O 3.47Å; R172-E304 IonicContact NH1-OE2 3.45Å; R172-M306 HydrophobicContact CB-CG 4.06Å; R172-W307 PolarHBondContact NH2-O 2.88Å
173	G	98.3	Very high	98.6	Very high	64 Å²	64	27.8 Å²	27.8	66%	0.66	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.1	-1.7	-179.5	0	0	0	0	0	114.9
174	L	98.8	Very high	98.7	Very high	16 Å²	16	29.5 Å²	29.5	8%	0.084	17%	0.166	C	C	.	.	S	Bend	trans	-119.1	133.5	174.8	-62.7	171.6	0	0	0	109.3	I171 R172 E184 E187 V188 H268 W303 M306	I171-L174 HydrophobicContact CB-CD1 4.31Å; I171-L174 HydrophobicContact CG2-CD1 4.06Å; I171-L174 PolarHBondContact O-N 2.9Å; R172-L174 VanDerWaalsContact C-N 3.34Å; L174-E184 HydrophobicContact CD2-CB 4.18Å; L174-E184 HydrophobicContact CD2-CG 4.1Å; L174-E187 HydrophobicContact CD1-CB 4.24Å; L174-E187 HydrophobicContact CD1-CG 4.08Å; L174-E187 HydrophobicContact CD2-CB 4.31Å; L174-E187 HydrophobicContact CD2-CG 4.29Å; L174-V188 HydrophobicContact CB-CG2 4.11Å; L174-V188 HydrophobicContact CD1-CB 4.46Å; L174-V188 HydrophobicContact CD1-CG2 3.52Å; L174-V188 HydrophobicContact CG-CG2 4.43Å; L174-H268 PolarHBondContact O-CE1 3.01Å; L174-W303 HydrophobicContact CD1-CH2 4.06Å; L174-W303 HydrophobicContact CD1-CZ3 3.93Å; L174-W303 HydrophobicContact CD2-CH2 4.37Å; L174-W303 HydrophobicContact CG-CH2 4.24Å; L174-W303 HydrophobicContact CG-CZ3 3.96Å; L174-M306 WeakPolarHBondContact O-CE 3.24Å
175	S	98.9	Very high	98.7	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.028	16%	0.156	C	C	.	.			trans	-61.7	148.1	179.6	-53.5	0	0	0	0	111.5	G111 C180 E184 H268	G111-S175 CarbonylContact O-C 3.57Å; S175-C180 WeakPolarHBondContact O-CB 3.39Å; S175-E184 WeakPolarHBondContact CB-OE1 3.43Å; S175-E184 PolarHBondContact N-OE1 3.25Å; S175-E184 PolarHBondContact OG-OE1 3Å; S175-H268 PolarHBondContact O-NE2 2.78Å
176	L	98.9	Very high	98.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.			trans	-69.1	163.7	178.6	-61.4	173.3	0	0	0	111.5	A110 G111 S170 P178 A179 C180 M306	A110-L176 HydrophobicContact CB-CD1 3.85Å; G111-L176 WeakPolarHBondContact O-CA 3.36Å; G111-L176 WeakPolarHBondContact O-CB 3.27Å; G111-L176 PolarHBondContact O-N 3.5Å; S170-L176 VanDerWaalsContact OG-CD2 3.29Å; S170-L176 WeakPolarHBondContact OG-CD2 3.29Å; L176-P178 VanDerWaalsContact C-N 3.31Å; L176-P178 WeakPolarHBondContact O-CD 3.3Å; L176-A179 PolarHBondContact O-N 3.27Å; L176-C180 PolarHBondContact O-N 3.22Å; L176-M306 HydrophobicContact CD2-CE 4.09Å; L176-M306 HydrophobicContact CD2-SD 3.87Å; L176-M306 HydrophobicContact CG-CE 4.47Å; L176-M306 HydrophobicContact CG-SD 4.47Å
177	P	98.8	Very high	98.8	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.019	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-38	-175.5	-29.2	36.3	0	0	0	116.4	A179 C180 M241 R243 T316	P177-A179 VanDerWaalsContact C-N 3.27Å; P177-A179 PolarHBondContact O-N 2.91Å; P177-C180 PolarHBondContact O-SG 2.92Å; P177-M241 HydrophobicContact CB-CE 4.37Å; P177-M241 HydrophobicContact CB-CG 4.32Å; P177-R243 PolarHBondContact O-NH2 2.79Å; P177-R243 VanDerWaalsContact O-NH2 3.12Å; P177-T316 WeakPolarHBondContact CD-OG1 3.49Å
178	P	98.8	Very high	98.8	Very high	9 Å²	9	34.3 Å²	34.3	6%	0.058	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-36.1	176.7	-28.4	38.6	0	0	0	113.7	Y85 V109 L176 A239 M241 R243 T316	Y85-P178 HydrophobicContact CE2-CB 4.48Å; Y85-P178 VanDerWaalsContact OH-CB 3.28Å; Y85-P178 WeakPolarHBondContact OH-CB 3.41Å; V109-P178 HydrophobicContact CB-CG 4.13Å; V109-P178 HydrophobicContact CG2-CB 4.14Å; V109-P178 HydrophobicContact CG2-CG 3.85Å; L176-P178 VanDerWaalsContact C-N 3.31Å; L176-P178 WeakPolarHBondContact O-CD 3.3Å; P178-A239 WeakPolarHBondContact CA-O 3.48Å; P178-A239 VanDerWaalsContact CB-O 3.3Å; P178-A239 WeakPolarHBondContact CB-O 3.33Å; P178-M241 HydrophobicContact CG-CG 3.9Å; P178-M241 HydrophobicContact CG-SD 4.28Å; P178-R243 PolarHBondContact O-NH2 3.21Å; P178-T316 HydrophobicContact CG-CG2 3.36Å
179	A	98.8	Very high	98.8	Very high	30 Å²	30	36 Å²	36	25%	0.248	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-24.1	-171.1	0	0	0	0	0	114.3	Y85 G111 L176 P177 T181	Y85-A179 HydrophobicContact CD2-CB 3.47Å; Y85-A179 VanDerWaalsContact CD2-CB 3.47Å; Y85-A179 HydrophobicContact CE2-CB 3.58Å; Y85-A179 HydrophobicContact CG-CB 4.32Å; G111-A179 WeakPolarHBondContact O-CB 3.28Å; L176-A179 PolarHBondContact O-N 3.27Å; P177-A179 VanDerWaalsContact C-N 3.27Å; P177-A179 PolarHBondContact O-N 2.91Å; A179-T181 PolarHBondContact O-N 3.22Å
180	C	98.8	Very high	98.8	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.02	22%	0.216	C	C	.	.			trans	-53.2	137.5	-173.5	66.7	0	0	0	0	113.4	S175 L176 P177 E184 R185 R243	S175-C180 WeakPolarHBondContact O-CB 3.39Å; L176-C180 PolarHBondContact O-N 3.22Å; P177-C180 PolarHBondContact O-SG 2.92Å; C180-E184 HydrophobicContact CB-CB 4.18Å; C180-R185 PolarHBondContact SG-NE 3.23Å; C180-R185 PolarHBondContact SG-NH2 3.1Å; C180-R243 PolarHBondContact O-NH1 3.07Å; C180-R243 PolarHBondContact O-NH2 2.81Å
181	T	98.9	Very high	98.8	Very high	74 Å²	74	40 Å²	40	45%	0.454	22%	0.217	S	C	.	.			trans	-72.9	166.8	166.2	63.3	0	0	0	0	110.5	A179 A183 E184 R185	A179-T181 PolarHBondContact O-N 3.22Å; T181-A183 PolarHBondContact O-N 3.5Å; T181-E184 WeakPolarHBondContact CB-OE2 3.4Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.28Å; T181-E184 PolarHBondContact N-OE2 3.49Å; T181-E184 PolarHBondContact O-N 3.02Å; T181-E184 WeakPolarHBondContact OG1-CG 3.37Å; T181-E184 PolarHBondContact OG1-N 3.04Å; T181-E184 PolarHBondContact OG1-OE2 3.03Å; T181-R185 WeakPolarHBondContact O-CB 3.37Å; T181-R185 PolarHBondContact O-N 2.9Å
182	R	98.8	Very high	98.8	Very high	136 Å²	136	40 Å²	40	51%	0.513	22%	0.217	S	C	.	.	H	α-helix	trans	-57.7	-36.6	171.8	-73.6	-177.2	-70.5	-86.3	0.4	112	R186 D244	R182-R186 WeakPolarHBondContact O-CB 3.11Å; R182-R186 WeakPolarHBondContact O-CD 3.3Å; R182-R186 WeakPolarHBondContact O-CG 3.3Å; R182-R186 PolarHBondContact O-N 2.72Å; R182-D244 WeakPolarHBondContact CD-OD1 3.37Å; R182-D244 HydrophobicContact CG-CB 4.08Å; R182-D244 IonicContact CZ-OD1 2.67Å; R182-D244 IonicContact NH1-OD1 3.76Å; R182-D244 PolarHBondContact NH1-OD1 2.8Å
183	A	98.8	Very high	98.8	Very high	69 Å²	69	38 Å²	38	57%	0.57	21%	0.214	S	C	*	.	H	α-helix	trans	-67	-49.7	-180	0	0	0	0	0	111.7	T181 R185 R186 E187	T181-A183 PolarHBondContact O-N 3.5Å; A183-R185 VanDerWaalsContact C-N 3.3Å; A183-R185 PolarHBondContact O-N 3.36Å; A183-R186 PolarHBondContact O-N 3.29Å; A183-E187 PolarHBondContact O-N 2.85Å
184	E	98.9	Very high	98.8	Very high	36 Å²	36	36.9 Å²	36.9	17%	0.168	19%	0.194	C	C	.	.	H	α-helix	trans	-60	-42	176.6	-70.9	166.8	104.9	0	0	111.7	L174 S175 C180 T181 R186 E187 V188	L174-E184 HydrophobicContact CD2-CB 4.18Å; L174-E184 HydrophobicContact CD2-CG 4.1Å; S175-E184 WeakPolarHBondContact CB-OE1 3.43Å; S175-E184 PolarHBondContact N-OE1 3.25Å; S175-E184 PolarHBondContact OG-OE1 3Å; C180-E184 HydrophobicContact CB-CB 4.18Å; T181-E184 WeakPolarHBondContact CB-OE2 3.4Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.28Å; T181-E184 PolarHBondContact N-OE2 3.49Å; T181-E184 PolarHBondContact O-N 3.02Å; T181-E184 WeakPolarHBondContact OG1-CG 3.37Å; T181-E184 PolarHBondContact OG1-N 3.04Å; T181-E184 PolarHBondContact OG1-OE2 3.03Å; E184-R186 PolarHBondContact O-N 3.04Å; E184-E187 WeakPolarHBondContact O-CB 3.34Å; E184-E187 PolarHBondContact O-N 3.42Å; E184-E187 VanDerWaalsContact O-N 3.13Å; E184-V188 WeakPolarHBondContact O-CG2 3.12Å; E184-V188 PolarHBondContact O-N 3.28Å
185	R	98.9	Very high	98.8	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-62.3	-43.2	178.5	-167.5	-177.3	-63.1	128.1	1.2	112.5	C180 T181 A183 E187 V188 E189 R243 D244 A248 R249 N264	C180-R185 PolarHBondContact SG-NE 3.23Å; C180-R185 PolarHBondContact SG-NH2 3.1Å; T181-R185 WeakPolarHBondContact O-CB 3.37Å; T181-R185 PolarHBondContact O-N 2.9Å; A183-R185 VanDerWaalsContact C-N 3.3Å; A183-R185 PolarHBondContact O-N 3.36Å; R185-E187 VanDerWaalsContact C-N 3.29Å; R185-E187 PolarHBondContact O-N 2.67Å; R185-V188 WeakPolarHBondContact O-CB 3.18Å; R185-V188 PolarHBondContact O-N 3.31Å; R185-E189 PolarHBondContact O-N 3.31Å; R185-R243 PolarHBondContact NH1-O 3.19Å; R185-D244 IonicContact CZ-OD2 3.91Å; R185-D244 IonicContact NH1-OD2 2.81Å; R185-D244 PolarHBondContact NH1-OD2 2.78Å; R185-D244 IonicContact NH2-OD2 3.27Å; R185-A248 HydrophobicContact CB-CB 4.48Å; R185-A248 HydrophobicContact CG-CB 3.96Å; R185-R249 VanDerWaalsContact CD-NH1 3.33Å; R185-R249 VanDerWaalsContact CZ-NH2 3.31Å; R185-R249 VanDerWaalsContact NE-CZ 3.31Å; R185-N264 HydrophobicContact CG-CB 3.9Å; R185-N264 VanDerWaalsContact CG-CG 3.5Å; R185-N264 WeakPolarHBondContact CG-ND2 3.41Å; R185-N264 PolarHBondContact O-ND2 2.98Å
186	R	98.9	Very high	98.8	Very high	124 Å²	124	36.1 Å²	36.1	47%	0.468	19%	0.19	S	C	.	.	H	α-helix	trans	-64.3	-34.6	173.8	-71.5	164.7	-175.4	-172.4	-6.6	111.7	R182 A183 E184 E189 N190 D247 A248	R182-R186 WeakPolarHBondContact O-CB 3.11Å; R182-R186 WeakPolarHBondContact O-CD 3.3Å; R182-R186 WeakPolarHBondContact O-CG 3.3Å; R182-R186 PolarHBondContact O-N 2.72Å; A183-R186 PolarHBondContact O-N 3.29Å; E184-R186 PolarHBondContact O-N 3.04Å; R186-E189 PolarHBondContact O-N 2.81Å; R186-N190 WeakPolarHBondContact O-CB 3.32Å; R186-N190 PolarHBondContact O-N 3.48Å; R186-D247 IonicContact CZ-OD1 3.37Å; R186-D247 IonicContact CZ-OD2 2.61Å; R186-D247 IonicContact NE-OD1 3.82Å; R186-D247 PolarHBondContact NE-OD1 2.87Å; R186-D247 IonicContact NE-OD2 2.8Å; R186-D247 PolarHBondContact NE-OD2 2.75Å; R186-D247 IonicContact NH2-OD1 3.7Å; R186-D247 IonicContact NH2-OD2 3.77Å; R186-D247 PolarHBondContact NH2-OD2 3.47Å; R186-A248 HydrophobicContact CB-CB 4.38Å; R186-A248 HydrophobicContact CG-CB 3.71Å
187	E	98.9	Very high	98.7	Very high	68 Å²	68	39.6 Å²	39.6	32%	0.318	22%	0.218	S	C	.	.	H	α-helix	trans	-68.2	-41.2	174.7	-170.8	58.4	-160.3	0	0	111.7	L174 A183 E184 R185 E189 N190 V191 W303	L174-E187 HydrophobicContact CD1-CB 4.24Å; L174-E187 HydrophobicContact CD1-CG 4.08Å; L174-E187 HydrophobicContact CD2-CB 4.31Å; L174-E187 HydrophobicContact CD2-CG 4.29Å; A183-E187 PolarHBondContact O-N 2.85Å; E184-E187 WeakPolarHBondContact O-CB 3.34Å; E184-E187 PolarHBondContact O-N 3.42Å; E184-E187 VanDerWaalsContact O-N 3.13Å; R185-E187 VanDerWaalsContact C-N 3.29Å; R185-E187 PolarHBondContact O-N 2.67Å; E187-E189 VanDerWaalsContact C-N 3.32Å; E187-E189 PolarHBondContact O-N 2.66Å; E187-N190 PolarHBondContact O-N 3.02Å; E187-V191 HydrophobicContact CG-CG2 4.27Å; E187-V191 WeakPolarHBondContact O-CB 3.13Å; E187-V191 VanDerWaalsContact O-CG2 3.26Å; E187-V191 WeakPolarHBondContact O-CG2 3.42Å; E187-V191 PolarHBondContact O-N 2.92Å; E187-W303 HydrophobicContact CG-CH2 4.08Å; E187-W303 HydrophobicContact CG-CZ2 4.06Å; E187-W303 WeakPolarHBondContact OE1-CZ2 3.25Å
188	V	98.9	Very high	98.7	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-56.1	-47.9	170.9	173.9	0	0	0	0	110.7	I171 L174 E184 R185 V192 N264 H268	I171-V188 HydrophobicContact CG1-CG1 4.47Å; L174-V188 HydrophobicContact CB-CG2 4.11Å; L174-V188 HydrophobicContact CD1-CB 4.46Å; L174-V188 HydrophobicContact CD1-CG2 3.52Å; L174-V188 HydrophobicContact CG-CG2 4.43Å; E184-V188 WeakPolarHBondContact O-CG2 3.12Å; E184-V188 PolarHBondContact O-N 3.28Å; R185-V188 WeakPolarHBondContact O-CB 3.18Å; R185-V188 PolarHBondContact O-N 3.31Å; V188-V192 HydrophobicContact CG1-CG2 4.25Å; V188-V192 WeakPolarHBondContact O-CB 3.13Å; V188-V192 WeakPolarHBondContact O-CG2 3.49Å; V188-V192 PolarHBondContact O-N 3.03Å; V188-N264 VanDerWaalsContact CG1-OD1 3.24Å; V188-N264 WeakPolarHBondContact CG1-OD1 3.47Å; V188-H268 HydrophobicContact CG1-CB 3.63Å
189	E	98.9	Very high	98.7	Very high	35 Å²	35	40.2 Å²	40.2	16%	0.164	23%	0.226	C	C	.	.	H	α-helix	trans	-58.1	-50.6	177.1	179.8	-174.1	-144.7	0	0	111	R185 R186 E187 V191 V192 V193 Y207 A248 I263	R185-E189 PolarHBondContact O-N 3.31Å; R186-E189 PolarHBondContact O-N 2.81Å; E187-E189 VanDerWaalsContact C-N 3.32Å; E187-E189 PolarHBondContact O-N 2.66Å; E189-V191 PolarHBondContact O-N 3.39Å; E189-V192 PolarHBondContact O-N 2.97Å; E189-V193 HydrophobicContact CG-CG2 4.05Å; E189-V193 VanDerWaalsContact O-CB 3.26Å; E189-V193 WeakPolarHBondContact O-CB 3.41Å; E189-V193 WeakPolarHBondContact O-CG2 3.36Å; E189-V193 PolarHBondContact O-N 3.34Å; E189-Y207 HydrophobicContact CG-CE1 4.41Å; E189-Y207 PolarHBondContact OE1-OH 3.03Å; E189-A248 HydrophobicContact CB-CB 4.17Å; E189-A248 WeakPolarHBondContact OE2-CA 3.36Å; E189-A248 WeakPolarHBondContact OE2-CB 3.48Å; E189-I263 HydrophobicContact CB-CG2 4.34Å
190	N	98.8	Very high	98.7	Very high	82 Å²	82	45.9 Å²	45.9	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-58.1	-50.3	-179.9	177.9	54.2	0	0	0	112.4	R186 E187 V192 T194	R186-N190 WeakPolarHBondContact O-CB 3.32Å; R186-N190 PolarHBondContact O-N 3.48Å; E187-N190 PolarHBondContact O-N 3.02Å; N190-V192 PolarHBondContact O-N 3.26Å; N190-T194 WeakPolarHBondContact O-CB 3.43Å; N190-T194 PolarHBondContact O-N 3.49Å; N190-T194 PolarHBondContact O-OG1 3Å
191	V	98.7	Very high	98.6	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.024	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-50	179.5	170.6	0	0	0	0	110.7	E187 E189 A195 W303	E187-V191 HydrophobicContact CG-CG2 4.27Å; E187-V191 WeakPolarHBondContact O-CB 3.13Å; E187-V191 VanDerWaalsContact O-CG2 3.26Å; E187-V191 WeakPolarHBondContact O-CG2 3.42Å; E187-V191 PolarHBondContact O-N 2.92Å; E189-V191 PolarHBondContact O-N 3.39Å; V191-A195 PolarHBondContact O-N 2.83Å; V191-W303 HydrophobicContact CG1-CB 4.32Å; V191-W303 HydrophobicContact CG1-CD2 4.33Å; V191-W303 HydrophobicContact CG1-CG 3.9Å; V191-W303 HydrophobicContact CG2-CD2 4.04Å; V191-W303 VanDerWaalsContact CG2-CE2 3.44Å; V191-W303 HydrophobicContact CG2-CG 4.3Å; V191-W303 HydrophobicContact CG2-CZ2 3.74Å
192	V	98.8	Very high	98.6	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-68	-52.9	-176	176.2	0	0	0	0	110.3	I171 V188 E189 N190 T194 A195 L196 I261 I263 T269	I171-V192 HydrophobicContact CD1-CG2 4.29Å; I171-V192 HydrophobicContact CG1-CG2 4.38Å; V188-V192 HydrophobicContact CG1-CG2 4.25Å; V188-V192 WeakPolarHBondContact O-CB 3.13Å; V188-V192 WeakPolarHBondContact O-CG2 3.49Å; V188-V192 PolarHBondContact O-N 3.03Å; E189-V192 PolarHBondContact O-N 2.97Å; N190-V192 PolarHBondContact O-N 3.26Å; V192-T194 PolarHBondContact O-N 3.06Å; V192-A195 WeakPolarHBondContact O-CB 3.47Å; V192-A195 PolarHBondContact O-N 3.07Å; V192-A195 VanDerWaalsContact O-N 3.09Å; V192-L196 HydrophobicContact CG1-CD1 3.81Å; V192-L196 HydrophobicContact CG1-CG 4.13Å; V192-L196 VanDerWaalsContact O-CG 3.26Å; V192-L196 WeakPolarHBondContact O-CG 3.31Å; V192-L196 PolarHBondContact O-N 2.92Å; V192-I261 HydrophobicContact CG1-CG2 4.48Å; V192-I263 HydrophobicContact CB-CD1 4.15Å; V192-I263 HydrophobicContact CG1-CD1 3.59Å; V192-I263 HydrophobicContact CG1-CG1 3.98Å; V192-T269 HydrophobicContact CB-CG2 4.32Å; V192-T269 HydrophobicContact CG1-CG2 3.82Å; V192-T269 HydrophobicContact CG2-CG2 3.52Å
193	V	98.7	Very high	98.6	Very high	38 Å²	38	41.9 Å²	41.9	23%	0.23	24%	0.244	C	C	.	.	H	α-helix	trans	-56.8	-41.2	-179	171.8	0	0	0	0	111.2	E189 L196 A197 Y207 I263	E189-V193 HydrophobicContact CG-CG2 4.05Å; E189-V193 VanDerWaalsContact O-CB 3.26Å; E189-V193 WeakPolarHBondContact O-CB 3.41Å; E189-V193 WeakPolarHBondContact O-CG2 3.36Å; E189-V193 PolarHBondContact O-N 3.34Å; V193-L196 PolarHBondContact O-N 2.9Å; V193-A197 PolarHBondContact O-N 3.06Å; V193-Y207 HydrophobicContact CB-CD1 4.46Å; V193-Y207 HydrophobicContact CG1-CD1 3.95Å; V193-Y207 HydrophobicContact CG1-CG 4.17Å; V193-Y207 HydrophobicContact CG2-CD1 3.58Å; V193-Y207 HydrophobicContact CG2-CD2 3.83Å; V193-Y207 HydrophobicContact CG2-CE1 3.62Å; V193-Y207 HydrophobicContact CG2-CE2 3.89Å; V193-Y207 HydrophobicContact CG2-CG 3.67Å; V193-I263 HydrophobicContact CG2-CD1 3.73Å
194	T	98.4	Very high	98.6	Very high	40 Å²	40	40.3 Å²	40.3	25%	0.245	23%	0.229	C	C	.	.	H	α-helix	trans	-68.3	-38.3	179.6	-53	0	0	0	0	112.3	N190 V192 R301	N190-T194 WeakPolarHBondContact O-CB 3.43Å; N190-T194 PolarHBondContact O-N 3.49Å; N190-T194 PolarHBondContact O-OG1 3Å; V192-T194 PolarHBondContact O-N 3.06Å; T194-R301 VanDerWaalsContact CG2-NH1 3.3Å
195	A	98.4	Very high	98.5	Very high	1 Å²	1	40 Å²	40	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-44.1	171.4	0	0	0	0	0	111.1	V191 V192 A197 G198 L297 I298	V191-A195 PolarHBondContact O-N 2.83Å; V192-A195 WeakPolarHBondContact O-CB 3.47Å; V192-A195 PolarHBondContact O-N 3.07Å; V192-A195 VanDerWaalsContact O-N 3.09Å; A195-A197 VanDerWaalsContact C-N 3.31Å; A195-A197 PolarHBondContact O-N 2.79Å; A195-G198 WeakPolarHBondContact O-CA 3.33Å; A195-G198 PolarHBondContact O-N 3.06Å; A195-L297 HydrophobicContact CB-CB 3.99Å; A195-L297 WeakPolarHBondContact O-CD1 3.29Å; A195-I298 HydrophobicContact CB-CG1 3.59Å
196	L	98.5	Very high	98.4	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-65	-30.1	-178.8	-62.2	-177.8	0	0	0	113.9	V192 V193 G198 L199 W252 I261 I263 V294	V192-L196 HydrophobicContact CG1-CD1 3.81Å; V192-L196 HydrophobicContact CG1-CG 4.13Å; V192-L196 VanDerWaalsContact O-CG 3.26Å; V192-L196 WeakPolarHBondContact O-CG 3.31Å; V192-L196 PolarHBondContact O-N 2.92Å; V193-L196 PolarHBondContact O-N 2.9Å; L196-G198 PolarHBondContact O-N 2.81Å; L196-L199 HydrophobicContact CD2-CD1 3.69Å; L196-L199 WeakPolarHBondContact O-CB 3.15Å; L196-L199 PolarHBondContact O-N 2.76Å; L196-L199 VanDerWaalsContact O-N 3.1Å; L196-W252 HydrophobicContact CB-CD2 4.37Å; L196-W252 HydrophobicContact CB-CG 4.23Å; L196-W252 HydrophobicContact CD1-CB 3.61Å; L196-W252 HydrophobicContact CD1-CD2 3.87Å; L196-W252 HydrophobicContact CD1-CE3 4.33Å; L196-W252 HydrophobicContact CD1-CG 3.53Å; L196-W252 HydrophobicContact CG-CG 4.44Å; L196-I261 HydrophobicContact CD1-CB 4.15Å; L196-I261 HydrophobicContact CD1-CD1 3.88Å; L196-I261 HydrophobicContact CD1-CG2 4.25Å; L196-I261 HydrophobicContact CD2-CD1 3.32Å; L196-I261 HydrophobicContact CG-CD1 4.23Å; L196-I263 HydrophobicContact CD1-CD1 4.34Å; L196-V294 HydrophobicContact CD2-CG1 4.32Å; L196-V294 HydrophobicContact CD2-CG2 3.65Å
197	A	98.3	Very high	98.4	Very high	72 Å²	72	41.2 Å²	41.2	60%	0.595	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.1	171.4	0	0	0	0	0	113.2	V193 A195 K200	V193-A197 PolarHBondContact O-N 3.06Å; A195-A197 VanDerWaalsContact C-N 3.31Å; A195-A197 PolarHBondContact O-N 2.79Å; A197-K200 PolarHBondContact O-NZ 3.02Å
198	G	98.1	Very high	98.3	Very high	22 Å²	22	40 Å²	40	23%	0.227	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-20.3	174.3	0	0	0	0	0	114.2	A195 L196 K200	A195-G198 WeakPolarHBondContact O-CA 3.33Å; A195-G198 PolarHBondContact O-N 3.06Å; L196-G198 PolarHBondContact O-N 2.81Å; G198-K200 WeakPolarHBondContact O-CE 3.14Å; G198-K200 WeakPolarHBondContact O-CG 3.3Å
199	L	98.5	Very high	98.2	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	24%	0.244	C	C	.	.			trans	-65.3	139.7	-177.9	-64.8	175.1	0	0	0	112	L196 L203 W252 E293 V294 L297	L196-L199 HydrophobicContact CD2-CD1 3.69Å; L196-L199 WeakPolarHBondContact O-CB 3.15Å; L196-L199 PolarHBondContact O-N 2.76Å; L196-L199 VanDerWaalsContact O-N 3.1Å; L199-L203 HydrophobicContact CB-CB 4.24Å; L199-L203 VanDerWaalsContact CB-O 3.28Å; L199-L203 WeakPolarHBondContact CB-O 3.31Å; L199-L203 HydrophobicContact CD2-CB 4.47Å; L199-W252 HydrophobicContact CD1-CH2 3.63Å; L199-W252 HydrophobicContact CD1-CZ2 3.66Å; L199-W252 HydrophobicContact CD1-CZ3 4.36Å; L199-E293 HydrophobicContact CD2-CB 4.07Å; L199-E293 HydrophobicContact CD2-CG 3.53Å; L199-V294 HydrophobicContact CD1-CG2 4.13Å; L199-V294 HydrophobicContact CD2-CG2 4.2Å; L199-L297 HydrophobicContact CD2-CD1 3.8Å; L199-L297 HydrophobicContact CG-CD1 4.22Å
200	K	98.2	Very high	98	Very high	149 Å²	149	40.9 Å²	40.9	65%	0.648	24%	0.244	S	C	*	.			trans	-125.9	169.9	-175.5	-53.1	-58.5	170.5	-150.1	0	111.7	A197 G198 L203	A197-K200 PolarHBondContact O-NZ 3.02Å; G198-K200 WeakPolarHBondContact O-CE 3.14Å; G198-K200 WeakPolarHBondContact O-CG 3.3Å; K200-L203 PolarHBondContact O-N 3.36Å
201	G	98.1	Very high	97.7	Very high	57 Å²	57	40.6 Å²	40.6	59%	0.588	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	63	-137.5	177.8	0	0	0	0	0	112.4	L203 S204	G201-L203 PolarHBondContact O-N 2.75Å; G201-S204 WeakPolarHBondContact O-CB 3.24Å; G201-S204 PolarHBondContact O-N 2.89Å; G201-S204 PolarHBondContact O-OG 2.8Å
202	D	98.2	Very high	97.4	Very high	67 Å²	67	46.8 Å²	46.8	36%	0.358	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-67.2	-13.1	178.6	72.4	-54.7	0	0	0	113.5	N254 R289	D202-N254 WeakPolarHBondContact O-CB 3.37Å; D202-N254 PolarHBondContact O-ND2 3.04Å; D202-R289 IonicContact OD1-CZ 2.65Å; D202-R289 IonicContact OD1-NH1 2.68Å; D202-R289 PolarHBondContact OD1-NH1 3.31Å; D202-R289 IonicContact OD1-NH2 3.55Å; D202-R289 PolarHBondContact OD1-NH2 3.21Å; D202-R289 IonicContact OD2-CZ 3.44Å; D202-R289 IonicContact OD2-NH1 2.74Å; D202-R289 IonicContact OD2-NH2 3.33Å; D202-R289 PolarHBondContact OD2-NH2 3.42Å
203	L	98.6	Very high	97.1	Very high	5 Å²	5	48 Å²	48	3%	0.026	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-93.5	-1.2	173.2	-61.2	175.7	0	0	0	112.9	L199 K200 G201 W252 F259 R286 R289	L199-L203 HydrophobicContact CB-CB 4.24Å; L199-L203 VanDerWaalsContact CB-O 3.28Å; L199-L203 WeakPolarHBondContact CB-O 3.31Å; L199-L203 HydrophobicContact CD2-CB 4.47Å; K200-L203 PolarHBondContact O-N 3.36Å; G201-L203 PolarHBondContact O-N 2.75Å; L203-W252 WeakPolarHBondContact O-CH2 3.33Å; L203-W252 WeakPolarHBondContact O-CZ2 3.37Å; L203-F259 HydrophobicContact CD2-CB 4.21Å; L203-F259 HydrophobicContact CD2-CD1 3.8Å; L203-F259 HydrophobicContact CD2-CE1 4.37Å; L203-F259 HydrophobicContact CD2-CG 4Å; L203-R286 HydrophobicContact CD2-CG 4.14Å; L203-R289 HydrophobicContact CD1-CG 4.35Å; L203-R289 VanDerWaalsContact CD1-NH1 3.35Å
204	S	98.6	Very high	96.7	Very high	35 Å²	35	49.7 Å²	49.7	25%	0.245	29%	0.294	C	S	.	.			trans	-70	143.6	174	65.9	0	0	0	0	111.1	G201 N254 N255	G201-S204 WeakPolarHBondContact O-CB 3.24Å; G201-S204 PolarHBondContact O-N 2.89Å; G201-S204 PolarHBondContact O-OG 2.8Å; S204-N254 CarbonylContact O-C 3.57Å; S204-N254 WeakPolarHBondContact O-CA 3.17Å; S204-N254 WeakPolarHBondContact O-CB 3.32Å; S204-N255 PolarHBondContact O-N 2.97Å; S204-N255 PolarHBondContact O-ND2 2.96Å; S204-N255 PolarHBondContact OG-ND2 2.86Å
205	G	97.6	Very high	96.2	Very high	30 Å²	30	55.9 Å²	55.9	31%	0.309	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	-175.6	-170.6	0	0	0	0	0	114.2	H253	G205-H253 CarbonylContact C-O 3.51Å; G205-H253 WeakPolarHBondContact CA-O 3.35Å
206	K	97.1	Very high	95.8	Very high	104 Å²	104	64.3 Å²	64.3	45%	0.452	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.3	-178	-179.4	177.1	170.1	-158.2	0	110.7	Y208 E217 W252 H253	K206-Y208 HydrophobicContact CB-CE2 3.8Å; K206-Y208 HydrophobicContact CD-CE1 3.9Å; K206-Y208 HydrophobicContact CD-CE2 4.09Å; K206-Y208 HydrophobicContact CG-CD2 4.33Å; K206-Y208 HydrophobicContact CG-CE1 4.43Å; K206-Y208 HydrophobicContact CG-CE2 3.82Å; K206-Y208 WeakPolarHBondContact O-CD2 3.48Å; K206-Y208 WeakPolarHBondContact O-CE2 3.49Å; K206-E217 IonicContact NZ-OE1 3.48Å; K206-E217 PolarHBondContact NZ-OE1 2.86Å; K206-W252 VanDerWaalsContact C-CD1 3.4Å; K206-W252 WeakPolarHBondContact O-CA 3.34Å; K206-H253 PolarHBondContact N-O 3.33Å; K206-H253 PolarHBondContact O-N 2.79Å
207	Y	97.8	Very high	95.4	Very high	47 Å²	47	66.8 Å²	66.8	18%	0.184	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	139.4	169.5	177.8	-118.9	0	0	0	110.9	E189 V193 R249 G250 I251 W252 I263	E189-Y207 HydrophobicContact CG-CE1 4.41Å; E189-Y207 PolarHBondContact OE1-OH 3.03Å; V193-Y207 HydrophobicContact CB-CD1 4.46Å; V193-Y207 HydrophobicContact CG1-CD1 3.95Å; V193-Y207 HydrophobicContact CG1-CG 4.17Å; V193-Y207 HydrophobicContact CG2-CD1 3.58Å; V193-Y207 HydrophobicContact CG2-CD2 3.83Å; V193-Y207 HydrophobicContact CG2-CE1 3.62Å; V193-Y207 HydrophobicContact CG2-CE2 3.89Å; V193-Y207 HydrophobicContact CG2-CG 3.67Å; Y207-R249 PolarHBondContact OH-O 3.49Å; Y207-G250 WeakPolarHBondContact OH-CA 3.34Å; Y207-G250 PolarHBondContact OH-N 2.9Å; Y207-I251 WeakPolarHBondContact CD2-O 3.43Å; Y207-W252 HydrophobicContact CD2-CB 4.16Å; Y207-I263 HydrophobicContact CD2-CD1 3.98Å; Y207-I263 HydrophobicContact CE2-CD1 3.65Å; Y207-I263 HydrophobicContact CE2-CG1 4.41Å
208	Y	96.5	Very high	94.8	Very high	44 Å²	44	67.3 Å²	67.3	17%	0.173	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	107.8	176.5	-56.5	-102.4	0	0	0	108.4	K206 E217 G250 I251 H253	K206-Y208 HydrophobicContact CB-CE2 3.8Å; K206-Y208 HydrophobicContact CD-CE1 3.9Å; K206-Y208 HydrophobicContact CD-CE2 4.09Å; K206-Y208 HydrophobicContact CG-CD2 4.33Å; K206-Y208 HydrophobicContact CG-CE1 4.43Å; K206-Y208 HydrophobicContact CG-CE2 3.82Å; K206-Y208 WeakPolarHBondContact O-CD2 3.48Å; K206-Y208 WeakPolarHBondContact O-CE2 3.49Å; Y208-E217 HydrophobicContact CE1-CG 4.42Å; Y208-G250 WeakPolarHBondContact O-CA 3.33Å; Y208-I251 PolarHBondContact N-O 2.83Å; Y208-I251 PolarHBondContact O-N 3.08Å; Y208-H253 AromaticContact CE2-CD2 3.81Å; Y208-H253 AromaticContact CE2-CE1 3.91Å; Y208-H253 AromaticContact CE2-NE2 3.28Å; Y208-H253 VanDerWaalsContact CE2-NE2 3.28Å; Y208-H253 WeakPolarHBondContact CE2-NE2 3.42Å; Y208-H253 AromaticContact CZ-NE2 3.78Å
209	S	96.8	Very high	94.1	Very high	25 Å²	25	70.9 Å²	70.9	18%	0.175	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	130.8	173.5	176.9	0	0	0	0	109.7	T211 N212 M213	S209-T211 PolarHBondContact O-N 3.15Å; S209-T211 PolarHBondContact OG-N 3.05Å; S209-N212 PolarHBondContact O-N 3.13Å; S209-M213 WeakPolarHBondContact O-CB 3.41Å; S209-M213 PolarHBondContact O-N 2.98Å; S209-M213 VanDerWaalsContact O-N 3.1Å
210	L	94.9	Very high	93.5	Very high	28 Å²	28	74.9 Å²	74.9	15%	0.147	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26	177.6	-64.1	-165.3	0	0	0	112.4	N212 M213 L227 F228 W245 P246 R249	L210-N212 VanDerWaalsContact C-N 3.33Å; L210-M213 HydrophobicContact CD2-CE 3.56Å; L210-M213 HydrophobicContact CD2-SD 4.23Å; L210-L227 HydrophobicContact CD2-CD1 3.65Å; L210-F228 HydrophobicContact CD1-CD2 4.48Å; L210-F228 HydrophobicContact CD1-CE2 3.76Å; L210-F228 HydrophobicContact CD1-CZ 4.03Å; L210-W245 HydrophobicContact CD1-CH2 3.68Å; L210-W245 HydrophobicContact CD1-CZ2 3.48Å; L210-W245 VanDerWaalsContact CD1-CZ2 3.48Å; L210-P246 HydrophobicContact CB-CB 3.82Å; L210-R249 HydrophobicContact CB-CB 4.48Å; L210-R249 WeakPolarHBondContact CB-O 3.45Å; L210-R249 HydrophobicContact CD1-CB 3.83Å; L210-R249 HydrophobicContact CG-CB 4.14Å; L210-R249 PolarHBondContact N-O 2.96Å
211	T	93.7	Very high	93	Very high	76 Å²	76	68 Å²	68	47%	0.466	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-35.8	179.1	-54.1	0	0	0	0	112.4	S209	S209-T211 PolarHBondContact O-N 3.15Å; S209-T211 PolarHBondContact OG-N 3.05Å
212	N	92.1	Very high	92.1	Very high	134 Å²	134	68.3 Å²	68.3	72%	0.717	35%	0.346	S	S	*	.	S	Bend	trans	-115.4	13.1	-172.7	-60.6	-31.2	0	0	0	112.5	S209 L210	S209-N212 PolarHBondContact O-N 3.13Å; L210-N212 VanDerWaalsContact C-N 3.33Å
213	M	91.8	Very high	91.1	Very high	26 Å²	26	69.6 Å²	69.6	13%	0.128	35%	0.353	C	S	.	.			trans	-72	131	-179.3	-170.8	176.2	-74.2	0	0	110	S209 L210 E217 Q218 L221 L227 I251	S209-M213 WeakPolarHBondContact O-CB 3.41Å; S209-M213 PolarHBondContact O-N 2.98Å; S209-M213 VanDerWaalsContact O-N 3.1Å; L210-M213 HydrophobicContact CD2-CE 3.56Å; L210-M213 HydrophobicContact CD2-SD 4.23Å; M213-E217 HydrophobicContact CG-CB 3.76Å; M213-Q218 HydrophobicContact CG-CB 4.12Å; M213-Q218 VanDerWaalsContact SD-CA 3.52Å; M213-Q218 HydrophobicContact SD-CB 3.76Å; M213-Q218 HydrophobicContact SD-CG 4.07Å; M213-L221 HydrophobicContact CE-CD1 3.42Å; M213-L221 VanDerWaalsContact CE-CD1 3.42Å; M213-L221 HydrophobicContact SD-CD1 3.79Å; M213-L227 HydrophobicContact CE-CD1 4.12Å; M213-L227 HydrophobicContact SD-CD1 4.22Å; M213-I251 HydrophobicContact CE-CG2 3.94Å
214	T	91.4	Very high	90.2	Very high	74 Å²	74	71.3 Å²	71.3	45%	0.454	36%	0.362	S	S	.	.			trans	-72.9	153.3	173.8	61.3	0	0	0	0	110.9	K216 E217 Q218	T214-K216 PolarHBondContact O-N 3.37Å; T214-K216 VanDerWaalsContact O-N 3.16Å; T214-E217 PolarHBondContact N-OE2 2.82Å; T214-E217 VanDerWaalsContact N-OE2 3.09Å; T214-E217 PolarHBondContact O-N 2.66Å; T214-E217 WeakPolarHBondContact OG1-CB 3.41Å; T214-E217 VanDerWaalsContact OG1-CG 3.24Å; T214-E217 WeakPolarHBondContact OG1-CG 3.46Å; T214-E217 PolarHBondContact OG1-N 2.95Å; T214-E217 PolarHBondContact OG1-OE2 2.95Å; T214-Q218 WeakPolarHBondContact O-CB 3.04Å; T214-Q218 PolarHBondContact O-N 3Å
215	E	86.3	Confident	89.2	Confident	171 Å²	171	77 Å²	77	80%	0.799	39%	0.385	S	S	*	.	H	α-helix	trans	-54.9	-36	176.3	-66.9	179.7	174.7	0	0	112.3	Q218 Q219	E215-Q218 PolarHBondContact O-N 3.43Å; E215-Q219 WeakPolarHBondContact O-CB 3.3Å; E215-Q219 PolarHBondContact O-N 3.43Å
216	K	90.3	Very high	88.7	Confident	177 Å²	177	76.5 Å²	76.5	77%	0.77	37%	0.374	S	S	*	.	H	α-helix	trans	-66.4	-45.5	176.6	-175	-178.9	178	-178.2	0	112.4	T214 Q218 Q220	T214-K216 PolarHBondContact O-N 3.37Å; T214-K216 VanDerWaalsContact O-N 3.16Å; K216-Q218 VanDerWaalsContact C-N 3.32Å; K216-Q220 WeakPolarHBondContact O-CB 3.37Å; K216-Q220 PolarHBondContact O-N 3.09Å
217	E	90	Very high	88	Confident	55 Å²	55	72.7 Å²	72.7	26%	0.257	36%	0.358	S	S	.	.	H	α-helix	trans	-64.2	-41.1	175.9	-74.5	168.4	136.4	0	0	110.8	K206 Y208 M213 T214 Q220 L221	K206-E217 IonicContact NZ-OE1 3.48Å; K206-E217 PolarHBondContact NZ-OE1 2.86Å; Y208-E217 HydrophobicContact CE1-CG 4.42Å; M213-E217 HydrophobicContact CG-CB 3.76Å; T214-E217 PolarHBondContact N-OE2 2.82Å; T214-E217 VanDerWaalsContact N-OE2 3.09Å; T214-E217 PolarHBondContact O-N 2.66Å; T214-E217 WeakPolarHBondContact OG1-CB 3.41Å; T214-E217 VanDerWaalsContact OG1-CG 3.24Å; T214-E217 WeakPolarHBondContact OG1-CG 3.46Å; T214-E217 PolarHBondContact OG1-N 2.95Å; T214-E217 PolarHBondContact OG1-OE2 2.95Å; E217-Q220 PolarHBondContact O-N 3.48Å; E217-L221 VanDerWaalsContact O-CG 3.3Å; E217-L221 WeakPolarHBondContact O-CG 3.13Å; E217-L221 PolarHBondContact O-N 2.88Å
218	Q	86	Confident	87.4	Confident	83 Å²	83	70.9 Å²	70.9	39%	0.388	35%	0.351	S	S	.	.	H	α-helix	trans	-60.6	-51.9	177	-167.3	-177.1	-0.5	0	0	111.3	M213 T214 E215 K216 Q220 L221 I222 L227	M213-Q218 HydrophobicContact CG-CB 4.12Å; M213-Q218 VanDerWaalsContact SD-CA 3.52Å; M213-Q218 HydrophobicContact SD-CB 3.76Å; M213-Q218 HydrophobicContact SD-CG 4.07Å; T214-Q218 WeakPolarHBondContact O-CB 3.04Å; T214-Q218 PolarHBondContact O-N 3Å; E215-Q218 PolarHBondContact O-N 3.43Å; K216-Q218 VanDerWaalsContact C-N 3.32Å; Q218-Q220 VanDerWaalsContact C-N 3.32Å; Q218-Q220 PolarHBondContact O-N 3Å; Q218-L221 PolarHBondContact O-N 3.08Å; Q218-I222 HydrophobicContact CG-CD1 4.13Å; Q218-I222 WeakPolarHBondContact O-CG1 3.41Å; Q218-I222 PolarHBondContact O-N 3.28Å; Q218-L227 HydrophobicContact CG-CD2 3.44Å; Q218-L227 VanDerWaalsContact CG-CD2 3.44Å
219	Q	83.5	Confident	86.5	Confident	97 Å²	97	74 Å²	74	45%	0.453	37%	0.371	S	S	.	.	H	α-helix	trans	-60.5	-42.6	179.1	-171.5	60.9	54.4	0	0	111.4	E215 L221 I222 D223	E215-Q219 WeakPolarHBondContact O-CB 3.3Å; E215-Q219 PolarHBondContact O-N 3.43Å; Q219-L221 VanDerWaalsContact C-N 3.32Å; Q219-L221 PolarHBondContact O-N 2.69Å; Q219-I222 WeakPolarHBondContact O-CB 3.26Å; Q219-I222 PolarHBondContact O-N 2.92Å; Q219-I222 VanDerWaalsContact O-N 3.17Å; Q219-D223 PolarHBondContact NE2-OD1 2.84Å; Q219-D223 WeakPolarHBondContact O-CB 3.4Å; Q219-D223 PolarHBondContact O-N 3.14Å
220	Q	87.1	Confident	85.8	Confident	88 Å²	88	78.3 Å²	78.3	41%	0.411	39%	0.387	S	S	.	.	H	α-helix	trans	-59	-43.6	176.5	-176.8	63.6	67.7	0	0	111.9	K216 E217 Q218 I222 D223 D224	K216-Q220 WeakPolarHBondContact O-CB 3.37Å; K216-Q220 PolarHBondContact O-N 3.09Å; E217-Q220 PolarHBondContact O-N 3.48Å; Q218-Q220 VanDerWaalsContact C-N 3.32Å; Q218-Q220 PolarHBondContact O-N 3Å; Q220-I222 VanDerWaalsContact C-N 3.33Å; Q220-D223 PolarHBondContact O-N 3.06Å; Q220-D224 PolarHBondContact NE2-OD1 2.96Å; Q220-D224 VanDerWaalsContact NE2-OD1 3.07Å; Q220-D224 PolarHBondContact NE2-OD2 2.8Å; Q220-D224 WeakPolarHBondContact O-CB 3.33Å; Q220-D224 PolarHBondContact O-N 2.96Å; Q220-D224 VanDerWaalsContact O-OD2 3.04Å
221	L	86.6	Confident	85.4	Confident	5 Å²	5	77.5 Å²	77.5	3%	0.026	38%	0.383	C	S	.	.	H	α-helix	trans	-70.6	-29	178.7	-68.7	166.5	0	0	0	112.7	M213 E217 Q218 Q219 H225 F226 L227 I251	M213-L221 HydrophobicContact CE-CD1 3.42Å; M213-L221 VanDerWaalsContact CE-CD1 3.42Å; M213-L221 HydrophobicContact SD-CD1 3.79Å; E217-L221 VanDerWaalsContact O-CG 3.3Å; E217-L221 WeakPolarHBondContact O-CG 3.13Å; E217-L221 PolarHBondContact O-N 2.88Å; Q218-L221 PolarHBondContact O-N 3.08Å; Q219-L221 VanDerWaalsContact C-N 3.32Å; Q219-L221 PolarHBondContact O-N 2.69Å; L221-H225 PolarHBondContact O-N 3.04Å; L221-F226 HydrophobicContact CD2-CB 4.15Å; L221-F226 HydrophobicContact CD2-CD2 4.21Å; L221-F226 PolarHBondContact O-N 3.09Å; L221-L227 HydrophobicContact CB-CB 3.84Å; L221-L227 HydrophobicContact CB-CD1 4.37Å; L221-L227 HydrophobicContact CD1-CD1 4.25Å; L221-L227 PolarHBondContact O-N 3.28Å; L221-I251 HydrophobicContact CD1-CG2 3.75Å; L221-I251 HydrophobicContact CD2-CD1 4.44Å
222	I	80	Confident	85.1	Confident	63 Å²	63	80.1 Å²	80.1	32%	0.323	40%	0.398	S	S	.	.	H	α-helix	trans	-67.1	-49.8	170.8	-69.7	166.8	0	0	0	110	Q218 Q219 Q220 D224 H225 L227	Q218-I222 HydrophobicContact CG-CD1 4.13Å; Q218-I222 WeakPolarHBondContact O-CG1 3.41Å; Q218-I222 PolarHBondContact O-N 3.28Å; Q219-I222 WeakPolarHBondContact O-CB 3.26Å; Q219-I222 PolarHBondContact O-N 2.92Å; Q219-I222 VanDerWaalsContact O-N 3.17Å; Q220-I222 VanDerWaalsContact C-N 3.33Å; I222-D224 PolarHBondContact O-N 2.89Å; I222-H225 WeakPolarHBondContact O-CA 3.41Å; I222-H225 PolarHBondContact O-N 2.95Å; I222-L227 HydrophobicContact CD1-CD2 4.19Å; I222-L227 HydrophobicContact CG1-CB 4.13Å; I222-L227 HydrophobicContact CG1-CD2 3.76Å
223	D	77.4	Confident	85.1	Confident	94 Å²	94	74.7 Å²	74.7	50%	0.503	37%	0.371	S	S	.	.	H	α-helix	trans	-61.6	-35	-179	-65.8	-16.4	0	0	0	111.6	Q219 Q220 H225	Q219-D223 PolarHBondContact NE2-OD1 2.84Å; Q219-D223 WeakPolarHBondContact O-CB 3.4Å; Q219-D223 PolarHBondContact O-N 3.14Å; Q220-D223 PolarHBondContact O-N 3.06Å; D223-H225 PolarHBondContact O-N 2.88Å
224	D	79.4	Confident	85.1	Confident	42 Å²	42	76.5 Å²	76.5	23%	0.225	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-4.6	175.6	-62.8	-35.6	0	0	0	113.7	Q220 I222 F226 K257	Q220-D224 PolarHBondContact NE2-OD1 2.96Å; Q220-D224 VanDerWaalsContact NE2-OD1 3.07Å; Q220-D224 PolarHBondContact NE2-OD2 2.8Å; Q220-D224 WeakPolarHBondContact O-CB 3.33Å; Q220-D224 PolarHBondContact O-N 2.96Å; Q220-D224 VanDerWaalsContact O-OD2 3.04Å; I222-D224 PolarHBondContact O-N 2.89Å; D224-F226 VanDerWaalsContact C-N 3.31Å; D224-F226 HydrophobicContact CB-CD1 4.32Å; D224-F226 HydrophobicContact CB-CD2 3.34Å; D224-F226 HydrophobicContact CB-CE1 4.34Å; D224-F226 HydrophobicContact CB-CE2 3.33Å; D224-F226 HydrophobicContact CB-CG 3.84Å; D224-F226 HydrophobicContact CB-CZ 3.86Å; D224-F226 VanDerWaalsContact O-CD1 3.24Å; D224-F226 WeakPolarHBondContact O-CD1 3.33Å; D224-F226 WeakPolarHBondContact O-CE1 3.48Å; D224-F226 PolarHBondContact O-N 3.09Å; D224-K257 IonicContact OD1-NZ 2.58Å; D224-K257 WeakPolarHBondContact OD2-CE 3.24Å; D224-K257 IonicContact OD2-NZ 2.62Å; D224-K257 PolarHBondContact OD2-NZ 3.18Å
225	H	77.9	Confident	85.2	Confident	155 Å²	155	74.9 Å²	74.9	72%	0.718	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	35.5	-173.1	-53.6	-64.9	0	0	0	114.2	L221 I222 D223	L221-H225 PolarHBondContact O-N 3.04Å; I222-H225 WeakPolarHBondContact O-CA 3.41Å; I222-H225 PolarHBondContact O-N 2.95Å; D223-H225 PolarHBondContact O-N 2.88Å
226	F	85.4	Confident	85.6	Confident	18 Å²	18	68.4 Å²	68.4	8%	0.079	34%	0.344	C	S	.	.			trans	-105.1	-30.2	-179.1	-61.3	-24.8	0	0	0	113.9	L221 D224 I251 K257 L260 W262 M274	L221-F226 HydrophobicContact CD2-CB 4.15Å; L221-F226 HydrophobicContact CD2-CD2 4.21Å; L221-F226 PolarHBondContact O-N 3.09Å; D224-F226 VanDerWaalsContact C-N 3.31Å; D224-F226 HydrophobicContact CB-CD1 4.32Å; D224-F226 HydrophobicContact CB-CD2 3.34Å; D224-F226 HydrophobicContact CB-CE1 4.34Å; D224-F226 HydrophobicContact CB-CE2 3.33Å; D224-F226 HydrophobicContact CB-CG 3.84Å; D224-F226 HydrophobicContact CB-CZ 3.86Å; D224-F226 VanDerWaalsContact O-CD1 3.24Å; D224-F226 WeakPolarHBondContact O-CD1 3.33Å; D224-F226 WeakPolarHBondContact O-CE1 3.48Å; D224-F226 PolarHBondContact O-N 3.09Å; F226-I251 HydrophobicContact CB-CD1 3.83Å; F226-I251 WeakPolarHBondContact O-CD1 3.1Å; F226-K257 HydrophobicContact CD2-CG 4.49Å; F226-K257 HydrophobicContact CE2-CB 3.47Å; F226-K257 VanDerWaalsContact CE2-CB 3.47Å; F226-K257 HydrophobicContact CE2-CD 3.72Å; F226-K257 HydrophobicContact CE2-CG 3.62Å; F226-K257 HydrophobicContact CZ-CB 3.64Å; F226-K257 HydrophobicContact CZ-CD 4.48Å; F226-K257 HydrophobicContact CZ-CG 4.31Å; F226-L260 HydrophobicContact CB-CD2 3.65Å; F226-L260 HydrophobicContact CD1-CD2 3.4Å; F226-L260 VanDerWaalsContact CD1-CD2 3.4Å; F226-L260 HydrophobicContact CD2-CD2 3.8Å; F226-L260 HydrophobicContact CE1-CD1 4.47Å; F226-L260 HydrophobicContact CE1-CD2 3.95Å; F226-L260 HydrophobicContact CE2-CD2 4.31Å; F226-L260 HydrophobicContact CG-CD2 3.33Å; F226-L260 HydrophobicContact CZ-CD2 4.39Å; F226-W262 WeakPolarHBondContact O-CZ2 3.48Å; F226-W262 PolarHBondContact O-NE1 3.48Å; F226-M274 HydrophobicContact CD1-SD 4.32Å; F226-M274 HydrophobicContact CE1-CE 4.07Å; F226-M274 HydrophobicContact CE1-SD 4.03Å
227	L	83.9	Confident	85.9	Confident	24 Å²	24	63 Å²	63	13%	0.126	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-72.5	140.6	-178.8	-162.2	63.4	0	0	0	110.8	L210 M213 Q218 L221 I222 I251	L210-L227 HydrophobicContact CD2-CD1 3.65Å; M213-L227 HydrophobicContact CE-CD1 4.12Å; M213-L227 HydrophobicContact SD-CD1 4.22Å; Q218-L227 HydrophobicContact CG-CD2 3.44Å; Q218-L227 VanDerWaalsContact CG-CD2 3.44Å; L221-L227 HydrophobicContact CB-CB 3.84Å; L221-L227 HydrophobicContact CB-CD1 4.37Å; L221-L227 HydrophobicContact CD1-CD1 4.25Å; L221-L227 PolarHBondContact O-N 3.28Å; I222-L227 HydrophobicContact CD1-CD2 4.19Å; I222-L227 HydrophobicContact CG1-CB 4.13Å; I222-L227 HydrophobicContact CG1-CD2 3.76Å; L227-I251 HydrophobicContact CD1-CG2 4.33Å
228	F	84.8	Confident	86.3	Confident	10 Å²	10	62.4 Å²	62.4	4%	0.044	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-100.3	138.1	165	56.7	-88.5	0	0	0	108.9	L210 W245 R249 G250 I251 W262 E265	L210-F228 HydrophobicContact CD1-CD2 4.48Å; L210-F228 HydrophobicContact CD1-CE2 3.76Å; L210-F228 HydrophobicContact CD1-CZ 4.03Å; F228-W245 AromaticContact CD2-CH2 3.63Å; F228-W245 HydrophobicContact CD2-CH2 3.63Å; F228-W245 HydrophobicContact CD2-CZ3 4.35Å; F228-W245 AromaticContact CE2-CH2 3.5Å; F228-W245 HydrophobicContact CE2-CH2 3.5Å; F228-W245 HydrophobicContact CE2-CZ3 4.03Å; F228-R249 HydrophobicContact CE2-CB 4.42Å; F228-R249 HydrophobicContact CZ-CB 4.46Å; F228-G250 WeakPolarHBondContact CE1-O 3.28Å; F228-G250 WeakPolarHBondContact CZ-O 3.44Å; F228-I251 HydrophobicContact CE1-CB 4.4Å; F228-W262 HydrophobicContact CB-CD2 4.18Å; F228-W262 HydrophobicContact CB-CE3 3.99Å; F228-W262 HydrophobicContact CB-CH2 3.95Å; F228-W262 HydrophobicContact CB-CZ2 4.14Å; F228-W262 HydrophobicContact CB-CZ3 3.87Å; F228-W262 HydrophobicContact CD1-CB 3.76Å; F228-W262 AromaticContact CD1-CD1 3.56Å; F228-W262 AromaticContact CD1-CD2 3.41Å; F228-W262 HydrophobicContact CD1-CD2 3.41Å; F228-W262 VanDerWaalsContact CD1-CD2 3.41Å; F228-W262 AromaticContact CD1-CE2 3.71Å; F228-W262 AromaticContact CD1-CE3 3.93Å; F228-W262 HydrophobicContact CD1-CE3 3.93Å; F228-W262 AromaticContact CD1-CG 3.33Å; F228-W262 HydrophobicContact CD1-CG 3.33Å; F228-W262 HydrophobicContact CD1-CZ2 4.43Å; F228-W262 AromaticContact CD1-NE1 3.76Å; F228-W262 HydrophobicContact CE1-CB 3.5Å; F228-W262 VanDerWaalsContact CE1-CB 3.5Å; F228-W262 AromaticContact CE1-CD1 3.75Å; F228-W262 HydrophobicContact CE1-CD2 4.12Å; F228-W262 AromaticContact CE1-CG 3.54Å; F228-W262 HydrophobicContact CE1-CG 3.54Å; F228-W262 HydrophobicContact CG-CD2 4.1Å; F228-W262 HydrophobicContact CG-CE3 4.17Å; F228-W262 HydrophobicContact CG-CG 4.38Å; F228-W262 HydrophobicContact CZ-CB 4.31Å; F228-E265 HydrophobicContact CB-CG 4.15Å; F228-E265 HydrophobicContact CD2-CB 3.78Å; F228-E265 HydrophobicContact CD2-CG 3.24Å; F228-E265 HydrophobicContact CE2-CB 3.64Å; F228-E265 HydrophobicContact CE2-CG 3.64Å; F228-E265 HydrophobicContact CG-CB 4.29Å; F228-E265 HydrophobicContact CG-CG 3.75Å; F228-E265 HydrophobicContact CZ-CB 4.08Å; F228-E265 HydrophobicContact CZ-CG 4.45Å
229	D	76.8	Confident	86.9	Confident	108 Å²	108	58.8 Å²	58.8	58%	0.578	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-86.5	170.1	179.7	-68.6	-41.7	0	0	0	111.9	P231	D229-P231 WeakPolarHBondContact O-CD 3.23Å
230	K	82.1	Confident	87.6	Confident	117 Å²	117	55 Å²	55	51%	0.509	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-52.9	128	169.9	-176.3	175.4	179.9	179.7	0	108.9	V232 W245	K230-V232 PolarHBondContact O-N 2.97Å; K230-W245 VanDerWaalsContact CA-CZ2 3.49Å; K230-W245 HydrophobicContact CB-CD2 4.14Å; K230-W245 HydrophobicContact CB-CG 4.32Å; K230-W245 HydrophobicContact CB-CZ2 4.09Å; K230-W245 HydrophobicContact CD-CB 4.48Å; K230-W245 HydrophobicContact CD-CG 4.06Å; K230-W245 HydrophobicContact CG-CB 4.45Å; K230-W245 HydrophobicContact CG-CD2 3.95Å; K230-W245 HydrophobicContact CG-CG 3.81Å
231	P	86.3	Confident	88.1	Confident	11 Å²	11	51.2 Å²	51.2	7%	0.071	28%	0.281	C	S	.	.			trans	-56.6	112.5	176.4	-28.3	35.5	0	0	0	111.3	D229 L236 T237 A242 W245	D229-P231 WeakPolarHBondContact O-CD 3.23Å; P231-L236 HydrophobicContact CB-CB 3.92Å; P231-L236 HydrophobicContact CB-CD1 3.8Å; P231-L236 HydrophobicContact CG-CD1 4.39Å; P231-T237 VanDerWaalsContact O-CG2 3.28Å; P231-T237 WeakPolarHBondContact O-CG2 3.42Å; P231-A242 HydrophobicContact CB-CB 4.3Å; P231-W245 HydrophobicContact CG-CZ3 4.32Å
232	V	88.8	Confident	88.6	Confident	130 Å²	130	52 Å²	52	79%	0.788	29%	0.288	S	S	*	.			trans	-102.9	-16.2	174.3	-65.9	0	0	0	0	112.6	K230	K230-V232 PolarHBondContact O-N 2.97Å
233	S	90.5	Very high	89.5	Confident	21 Å²	21	53 Å²	53	15%	0.147	29%	0.288	C	S	.	.			trans	-61.9	129.2	178.2	-179.4	0	0	0	0	110.2	L235 L236 T237	S233-L235 PolarHBondContact O-N 2.8Å; S233-L235 VanDerWaalsContact O-N 3.16Å; S233-L235 PolarHBondContact OG-N 3.24Å; S233-L236 PolarHBondContact O-N 2.89Å; S233-T237 PolarHBondContact O-N 2.89Å; S233-T237 PolarHBondContact O-OG1 3.25Å
234	P	93.3	Very high	90.5	Very high	64 Å²	64	51.2 Å²	51.2	42%	0.416	28%	0.278	S	S	.	.	H	α-helix	trans	-63.2	-22.2	178.7	29	-36.4	0	0	0	112.3	N97 L236 T237 C238	N97-P234 PolarHBondContact ND2-O 3.12Å; N97-P234 VanDerWaalsContact OD1-CB 3.29Å; N97-P234 WeakPolarHBondContact OD1-CB 3.33Å; N97-P234 WeakPolarHBondContact OD1-CG 3.38Å; P234-L236 VanDerWaalsContact C-N 3.29Å; P234-L236 PolarHBondContact O-N 3.33Å; P234-T237 WeakPolarHBondContact CA-OG1 3.3Å; P234-C238 WeakPolarHBondContact O-CB 3.44Å; P234-C238 PolarHBondContact O-N 3.09Å; P234-C238 PolarHBondContact O-SG 3.01Å; P234-C238 VanDerWaalsContact O-SG 3.36Å
235	L	93.4	Very high	91.3	Very high	40 Å²	40	52 Å²	52	21%	0.209	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-37.1	172.9	-61.2	175.8	0	0	0	112.2	T93 N97 T105 S233 A239	T93-L235 PolarHBondContact OG1-O 3.3Å; N97-L235 HydrophobicContact CB-CD2 3.77Å; T105-L235 HydrophobicContact CG2-CD1 3.8Å; T105-L235 HydrophobicContact CG2-CD2 4.12Å; S233-L235 PolarHBondContact O-N 2.8Å; S233-L235 VanDerWaalsContact O-N 3.16Å; S233-L235 PolarHBondContact OG-N 3.24Å; L235-A239 VanDerWaalsContact O-CB 3.28Å; L235-A239 WeakPolarHBondContact O-CB 3.4Å
236	L	94.8	Very high	92.1	Very high	34 Å²	34	46.8 Å²	46.8	18%	0.178	26%	0.257	C	S	.	.	H	α-helix	trans	-87.5	-40.6	-179.2	-61.7	176.4	0	0	0	111.7	P231 S233 P234 A239 G240 M241 E266	P231-L236 HydrophobicContact CB-CB 3.92Å; P231-L236 HydrophobicContact CB-CD1 3.8Å; P231-L236 HydrophobicContact CG-CD1 4.39Å; S233-L236 PolarHBondContact O-N 2.89Å; P234-L236 VanDerWaalsContact C-N 3.29Å; P234-L236 PolarHBondContact O-N 3.33Å; L236-A239 PolarHBondContact O-N 3.06Å; L236-G240 PolarHBondContact O-N 3.25Å; L236-M241 HydrophobicContact CD2-CE 3.7Å; L236-M241 HydrophobicContact CD2-SD 3.7Å; L236-M241 WeakPolarHBondContact O-CB 3.34Å; L236-M241 PolarHBondContact O-N 3.05Å; L236-E266 HydrophobicContact CD2-CB 4.41Å
237	T	97	Very high	92.7	Very high	65 Å²	65	47.6 Å²	47.6	40%	0.399	26%	0.263	S	S	.	.	H	α-helix	trans	-71.4	-42.7	-178.1	59.3	0	0	0	0	111.9	P231 S233 P234 A239 G240 A242	P231-T237 VanDerWaalsContact O-CG2 3.28Å; P231-T237 WeakPolarHBondContact O-CG2 3.42Å; S233-T237 PolarHBondContact O-N 2.89Å; S233-T237 PolarHBondContact O-OG1 3.25Å; P234-T237 WeakPolarHBondContact CA-OG1 3.3Å; T237-A239 PolarHBondContact O-N 3.23Å; T237-G240 PolarHBondContact O-N 3.02Å; T237-A242 HydrophobicContact CG2-CB 4Å
238	C	97.7	Very high	93.4	Very high	42 Å²	42	46.6 Å²	46.6	28%	0.284	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.3	173	-66	0	0	0	0	112.8	D96 P234 G240	D96-C238 HydrophobicContact CB-CB 4.04Å; P234-C238 WeakPolarHBondContact O-CB 3.44Å; P234-C238 PolarHBondContact O-N 3.09Å; P234-C238 PolarHBondContact O-SG 3.01Å; P234-C238 VanDerWaalsContact O-SG 3.36Å; C238-G240 PolarHBondContact O-N 3.09Å
239	A	98.2	Very high	94.1	Very high	6 Å²	6	46.2 Å²	46.2	5%	0.05	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	1.3	170.5	0	0	0	0	0	113.3	T93 V109 P178 L235 L236 T237 M241	T93-A239 HydrophobicContact CG2-CB 4.34Å; V109-A239 HydrophobicContact CG1-CB 4.15Å; V109-A239 HydrophobicContact CG2-CB 4.13Å; P178-A239 WeakPolarHBondContact CA-O 3.48Å; P178-A239 VanDerWaalsContact CB-O 3.3Å; P178-A239 WeakPolarHBondContact CB-O 3.33Å; L235-A239 VanDerWaalsContact O-CB 3.28Å; L235-A239 WeakPolarHBondContact O-CB 3.4Å; L236-A239 PolarHBondContact O-N 3.06Å; T237-A239 PolarHBondContact O-N 3.23Å; A239-M241 VanDerWaalsContact C-N 3.3Å; A239-M241 HydrophobicContact CB-CG 3.93Å; A239-M241 HydrophobicContact CB-SD 3.74Å; A239-M241 PolarHBondContact O-N 2.81Å
240	G	98	Very high	95.1	Very high	18 Å²	18	41 Å²	41	19%	0.186	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	15.6	178.9	0	0	0	0	0	114.8	L236 T237 C238 R243	L236-G240 PolarHBondContact O-N 3.25Å; T237-G240 PolarHBondContact O-N 3.02Å; C238-G240 PolarHBondContact O-N 3.09Å; G240-R243 WeakPolarHBondContact O-CG 3.26Å; G240-R243 PolarHBondContact O-NE 3.18Å
241	M	98.3	Very high	95.8	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.039	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-14.3	-172.3	-59.5	169.5	63.5	0	0	113.3	P177 P178 L236 A239 R249 E266 T316	P177-M241 HydrophobicContact CB-CE 4.37Å; P177-M241 HydrophobicContact CB-CG 4.32Å; P178-M241 HydrophobicContact CG-CG 3.9Å; P178-M241 HydrophobicContact CG-SD 4.28Å; L236-M241 HydrophobicContact CD2-CE 3.7Å; L236-M241 HydrophobicContact CD2-SD 3.7Å; L236-M241 WeakPolarHBondContact O-CB 3.34Å; L236-M241 PolarHBondContact O-N 3.05Å; A239-M241 VanDerWaalsContact C-N 3.3Å; A239-M241 HydrophobicContact CB-CG 3.93Å; A239-M241 HydrophobicContact CB-SD 3.74Å; A239-M241 PolarHBondContact O-N 2.81Å; M241-R249 PolarHBondContact O-NH2 3.38Å; M241-E266 VanDerWaalsContact CE-CA 3.41Å; M241-E266 HydrophobicContact CE-CB 3.77Å; M241-E266 WeakPolarHBondContact CE-O 3.41Å; M241-T316 HydrophobicContact CE-CG2 4.11Å; M241-T316 HydrophobicContact SD-CG2 4.25Å
242	A	97.6	Very high	96.4	Very high	21 Å²	21	35.1 Å²	35.1	17%	0.174	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	5.3	179	0	0	0	0	0	114.5	P231 T237	P231-A242 HydrophobicContact CB-CB 4.3Å; T237-A242 HydrophobicContact CG2-CB 4Å
243	R	97.9	Very high	96.8	Very high	86 Å²	86	29.4 Å²	29.4	33%	0.325	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	142.6	-177.4	-71.1	179.1	-62.2	107.7	-5.3	112.1	P177 P178 C180 R185 G240 W245 R249	P177-R243 PolarHBondContact O-NH2 2.79Å; P177-R243 VanDerWaalsContact O-NH2 3.12Å; P178-R243 PolarHBondContact O-NH2 3.21Å; C180-R243 PolarHBondContact O-NH1 3.07Å; C180-R243 PolarHBondContact O-NH2 2.81Å; R185-R243 PolarHBondContact NH1-O 3.19Å; G240-R243 WeakPolarHBondContact O-CG 3.26Å; G240-R243 PolarHBondContact O-NE 3.18Å; R243-W245 PolarHBondContact O-N 3.21Å; R243-W245 VanDerWaalsContact O-N 3.15Å; R243-R249 PolarHBondContact O-NH1 2.61Å; R243-R249 PolarHBondContact O-NH2 3.41Å
244	D	97.9	Very high	97.2	Very high	55 Å²	55	28.4 Å²	28.4	29%	0.294	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	21.7	176.4	-38.2	-82.3	0	0	0	114.8	R182 R185 D247	R182-D244 WeakPolarHBondContact CD-OD1 3.37Å; R182-D244 HydrophobicContact CG-CB 4.08Å; R182-D244 IonicContact CZ-OD1 2.67Å; R182-D244 IonicContact NH1-OD1 3.76Å; R182-D244 PolarHBondContact NH1-OD1 2.8Å; R185-D244 IonicContact CZ-OD2 3.91Å; R185-D244 IonicContact NH1-OD2 2.81Å; R185-D244 PolarHBondContact NH1-OD2 2.78Å; R185-D244 IonicContact NH2-OD2 3.27Å; D244-D247 HydrophobicContact CB-CB 4.23Å; D244-D247 WeakPolarHBondContact O-CB 3.21Å; D244-D247 PolarHBondContact O-N 3.38Å
245	W	96.1	Very high	97.4	Very high	60 Å²	60	30.5 Å²	30.5	23%	0.227	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	135.8	-179	-176.3	-84.2	0	0	0	112.6	L210 F228 K230 P231 R243 R249	L210-W245 HydrophobicContact CD1-CH2 3.68Å; L210-W245 HydrophobicContact CD1-CZ2 3.48Å; L210-W245 VanDerWaalsContact CD1-CZ2 3.48Å; F228-W245 AromaticContact CD2-CH2 3.63Å; F228-W245 HydrophobicContact CD2-CH2 3.63Å; F228-W245 HydrophobicContact CD2-CZ3 4.35Å; F228-W245 AromaticContact CE2-CH2 3.5Å; F228-W245 HydrophobicContact CE2-CH2 3.5Å; F228-W245 HydrophobicContact CE2-CZ3 4.03Å; K230-W245 VanDerWaalsContact CA-CZ2 3.49Å; K230-W245 HydrophobicContact CB-CD2 4.14Å; K230-W245 HydrophobicContact CB-CG 4.32Å; K230-W245 HydrophobicContact CB-CZ2 4.09Å; K230-W245 HydrophobicContact CD-CB 4.48Å; K230-W245 HydrophobicContact CD-CG 4.06Å; K230-W245 HydrophobicContact CG-CB 4.45Å; K230-W245 HydrophobicContact CG-CD2 3.95Å; K230-W245 HydrophobicContact CG-CG 3.81Å; P231-W245 HydrophobicContact CG-CZ3 4.32Å; R243-W245 PolarHBondContact O-N 3.21Å; R243-W245 VanDerWaalsContact O-N 3.15Å; W245-R249 HydrophobicContact CE3-CG 4.21Å; W245-R249 HydrophobicContact CZ3-CB 4.5Å; W245-R249 HydrophobicContact CZ3-CG 3.91Å
246	P	96.1	Very high	97.5	Very high	44 Å²	44	34 Å²	34	29%	0.286	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	cis	-98.3	22.3	3.1	38.5	-35.5	0	0	0	115	L210 A248 R249	L210-P246 HydrophobicContact CB-CB 3.82Å; P246-A248 PolarHBondContact O-N 2.82Å; P246-R249 PolarHBondContact O-N 3.25Å; P246-R249 VanDerWaalsContact O-N 3.14Å
247	D	98.2	Very high	97.6	Very high	35 Å²	35	35.6 Å²	35.6	19%	0.187	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	127.6	-174.9	-175.5	-97	0	0	0	112.3	R186 D244 R249	R186-D247 IonicContact CZ-OD1 3.37Å; R186-D247 IonicContact CZ-OD2 2.61Å; R186-D247 IonicContact NE-OD1 3.82Å; R186-D247 PolarHBondContact NE-OD1 2.87Å; R186-D247 IonicContact NE-OD2 2.8Å; R186-D247 PolarHBondContact NE-OD2 2.75Å; R186-D247 IonicContact NH2-OD1 3.7Å; R186-D247 IonicContact NH2-OD2 3.77Å; R186-D247 PolarHBondContact NH2-OD2 3.47Å; D244-D247 HydrophobicContact CB-CB 4.23Å; D244-D247 WeakPolarHBondContact O-CB 3.21Å; D244-D247 PolarHBondContact O-N 3.38Å; D247-R249 WeakPolarHBondContact O-CD 3.24Å; D247-R249 PolarHBondContact O-N 3.28Å; D247-R249 PolarHBondContact O-NH1 3.19Å
248	A	98.3	Very high	97.6	Very high	3 Å²	3	34 Å²	34	3%	0.025	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	26.7	179.6	0	0	0	0	0	115.5	R185 R186 E189 P246 N264	R185-A248 HydrophobicContact CB-CB 4.48Å; R185-A248 HydrophobicContact CG-CB 3.96Å; R186-A248 HydrophobicContact CB-CB 4.38Å; R186-A248 HydrophobicContact CG-CB 3.71Å; E189-A248 HydrophobicContact CB-CB 4.17Å; E189-A248 WeakPolarHBondContact OE2-CA 3.36Å; E189-A248 WeakPolarHBondContact OE2-CB 3.48Å; P246-A248 PolarHBondContact O-N 2.82Å; A248-N264 VanDerWaalsContact O-CB 3.31Å; A248-N264 WeakPolarHBondContact O-CB 3.48Å; A248-N264 PolarHBondContact O-ND2 3.09Å
249	R	98.4	Very high	97.6	Very high	2 Å²	2	32 Å²	32	1%	0.008	17%	0.168	C	C	.	.			trans	-106.7	147.6	171.4	-80.1	65.7	168.5	-144.1	-6.2	110.1	R185 Y207 L210 F228 M241 R243 W245 P246 D247 N264	R185-R249 VanDerWaalsContact CD-NH1 3.33Å; R185-R249 VanDerWaalsContact CZ-NH2 3.31Å; R185-R249 VanDerWaalsContact NE-CZ 3.31Å; Y207-R249 PolarHBondContact OH-O 3.49Å; L210-R249 HydrophobicContact CB-CB 4.48Å; L210-R249 WeakPolarHBondContact CB-O 3.45Å; L210-R249 HydrophobicContact CD1-CB 3.83Å; L210-R249 HydrophobicContact CG-CB 4.14Å; L210-R249 PolarHBondContact N-O 2.96Å; F228-R249 HydrophobicContact CE2-CB 4.42Å; F228-R249 HydrophobicContact CZ-CB 4.46Å; M241-R249 PolarHBondContact O-NH2 3.38Å; R243-R249 PolarHBondContact O-NH1 2.61Å; R243-R249 PolarHBondContact O-NH2 3.41Å; W245-R249 HydrophobicContact CE3-CG 4.21Å; W245-R249 HydrophobicContact CZ3-CB 4.5Å; W245-R249 HydrophobicContact CZ3-CG 3.91Å; P246-R249 PolarHBondContact O-N 3.25Å; P246-R249 VanDerWaalsContact O-N 3.14Å; D247-R249 WeakPolarHBondContact O-CD 3.24Å; D247-R249 PolarHBondContact O-N 3.28Å; D247-R249 PolarHBondContact O-NH1 3.19Å; R249-N264 WeakPolarHBondContact CD-O 3.48Å; R249-N264 HydrophobicContact CG-CB 3.98Å; R249-N264 WeakPolarHBondContact CG-O 3.27Å; R249-N264 PolarHBondContact NE-O 3.08Å
250	G	97.3	Very high	97.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	177.9	175.3	0	0	0	0	0	113.4	Y207 Y208 F228 I263	Y207-G250 WeakPolarHBondContact OH-CA 3.34Å; Y207-G250 PolarHBondContact OH-N 2.9Å; Y208-G250 WeakPolarHBondContact O-CA 3.33Å; F228-G250 WeakPolarHBondContact CE1-O 3.28Å; F228-G250 WeakPolarHBondContact CZ-O 3.44Å; G250-I263 PolarHBondContact N-O 2.85Å; G250-I263 PolarHBondContact O-N 3.08Å
251	I	97.8	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.5	178.3	179.8	165.3	0	0	0	108.9	Y207 Y208 M213 L221 F226 L227 F228 L260	Y207-I251 WeakPolarHBondContact CD2-O 3.43Å; Y208-I251 PolarHBondContact N-O 2.83Å; Y208-I251 PolarHBondContact O-N 3.08Å; M213-I251 HydrophobicContact CE-CG2 3.94Å; L221-I251 HydrophobicContact CD1-CG2 3.75Å; L221-I251 HydrophobicContact CD2-CD1 4.44Å; F226-I251 HydrophobicContact CB-CD1 3.83Å; F226-I251 WeakPolarHBondContact O-CD1 3.1Å; L227-I251 HydrophobicContact CD1-CG2 4.33Å; F228-I251 HydrophobicContact CE1-CB 4.4Å; I251-L260 HydrophobicContact CD1-CD2 4.27Å
252	W	98.3	Very high	97.7	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.6	165.2	177.6	99.6	0	0	0	108.6	L196 L199 L203 K206 Y207 N254 F259 L260 I261	L196-W252 HydrophobicContact CB-CD2 4.37Å; L196-W252 HydrophobicContact CB-CG 4.23Å; L196-W252 HydrophobicContact CD1-CB 3.61Å; L196-W252 HydrophobicContact CD1-CD2 3.87Å; L196-W252 HydrophobicContact CD1-CE3 4.33Å; L196-W252 HydrophobicContact CD1-CG 3.53Å; L196-W252 HydrophobicContact CG-CG 4.44Å; L199-W252 HydrophobicContact CD1-CH2 3.63Å; L199-W252 HydrophobicContact CD1-CZ2 3.66Å; L199-W252 HydrophobicContact CD1-CZ3 4.36Å; L203-W252 WeakPolarHBondContact O-CH2 3.33Å; L203-W252 WeakPolarHBondContact O-CZ2 3.37Å; K206-W252 VanDerWaalsContact C-CD1 3.4Å; K206-W252 WeakPolarHBondContact O-CA 3.34Å; Y207-W252 HydrophobicContact CD2-CB 4.16Å; W252-N254 HydrophobicContact CH2-CB 3.96Å; W252-F259 AromaticContact CH2-CD1 3.84Å; W252-F259 HydrophobicContact CH2-CD1 3.84Å; W252-F259 HydrophobicContact CH2-CE1 4.45Å; W252-F259 AromaticContact CZ3-CD1 3.49Å; W252-F259 HydrophobicContact CZ3-CD1 3.49Å; W252-F259 VanDerWaalsContact CZ3-CD1 3.49Å; W252-F259 HydrophobicContact CZ3-CE1 4.06Å; W252-F259 HydrophobicContact CZ3-CG 4.39Å; W252-F259 WeakPolarHBondContact CZ3-O 3.24Å; W252-L260 CarbonylContact O-C 3.57Å; W252-L260 WeakPolarHBondContact O-CA 3.5Å; W252-I261 HydrophobicContact CE3-CB 4.25Å; W252-I261 HydrophobicContact CE3-CD1 4.17Å; W252-I261 HydrophobicContact CE3-CG1 4.09Å; W252-I261 HydrophobicContact CZ3-CD1 4.42Å; W252-I261 HydrophobicContact CZ3-CG1 4.48Å; W252-I261 PolarHBondContact N-O 3.06Å; W252-I261 PolarHBondContact O-N 3.12Å
253	H	98	Very high	97.7	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.046	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	152.8	167.2	64.1	76.6	0	0	0	111.1	G205 K206 Y208 F259 L260	G205-H253 CarbonylContact C-O 3.51Å; G205-H253 WeakPolarHBondContact CA-O 3.35Å; K206-H253 PolarHBondContact N-O 3.33Å; K206-H253 PolarHBondContact O-N 2.79Å; Y208-H253 AromaticContact CE2-CD2 3.81Å; Y208-H253 AromaticContact CE2-CE1 3.91Å; Y208-H253 AromaticContact CE2-NE2 3.28Å; Y208-H253 VanDerWaalsContact CE2-NE2 3.28Å; Y208-H253 WeakPolarHBondContact CE2-NE2 3.42Å; Y208-H253 AromaticContact CZ-NE2 3.78Å; H253-F259 CarbonylContact C-O 3.58Å; H253-F259 VanDerWaalsContact CA-O 3.3Å; H253-F259 WeakPolarHBondContact CA-O 3.42Å; H253-L260 HydrophobicContact CB-CB 4.31Å; H253-L260 HydrophobicContact CB-CD2 4.01Å; H253-L260 HydrophobicContact CB-CG 3.8Å
254	N	98.4	Very high	97.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	165.1	171	73.9	-25.9	0	0	0	111.4	D202 S204 W252 D256 K257 T258 F259	D202-N254 WeakPolarHBondContact O-CB 3.37Å; D202-N254 PolarHBondContact O-ND2 3.04Å; S204-N254 CarbonylContact O-C 3.57Å; S204-N254 WeakPolarHBondContact O-CA 3.17Å; S204-N254 WeakPolarHBondContact O-CB 3.32Å; W252-N254 HydrophobicContact CH2-CB 3.96Å; N254-D256 PolarHBondContact O-N 3.27Å; N254-K257 PolarHBondContact O-N 2.73Å; N254-K257 WeakPolarHBondContact OD1-CA 3.46Å; N254-K257 PolarHBondContact OD1-N 3.5Å; N254-T258 PolarHBondContact ND2-OG1 3.32Å; N254-T258 PolarHBondContact OD1-N 3.21Å; N254-F259 HydrophobicContact CB-CB 4.4Å; N254-F259 PolarHBondContact N-O 2.85Å; N254-F259 PolarHBondContact OD1-N 2.8Å; N254-F259 PolarHBondContact OD1-O 2.89Å
255	N	97.2	Very high	97.7	Very high	108 Å²	108	25.8 Å²	25.8	58%	0.578	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-37.5	-176.8	-62.4	-34.4	0	0	0	112.7	S204 K257	S204-N255 PolarHBondContact O-N 2.97Å; S204-N255 PolarHBondContact O-ND2 2.96Å; S204-N255 PolarHBondContact OG-ND2 2.86Å; N255-K257 VanDerWaalsContact C-N 3.28Å; N255-K257 PolarHBondContact O-N 3.39Å
256	D	96.6	Very high	97.6	Very high	112 Å²	112	24.8 Å²	24.8	60%	0.599	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	1	-178.9	-60.4	-30.7	0	0	0	113.6	N254 T258	N254-D256 PolarHBondContact O-N 3.27Å; D256-T258 HydrophobicContact CB-CG2 4.34Å; D256-T258 WeakPolarHBondContact O-CG2 3.41Å; D256-T258 PolarHBondContact O-N 2.89Å
257	K	96.1	Very high	97.7	Very high	68 Å²	68	22.8 Å²	22.8	30%	0.296	12%	0.115	S	C	.	.	S	Bend	trans	57.5	32.8	178.3	-66.9	163.8	161.5	-166.4	0	113.8	D224 F226 N254 N255	D224-K257 IonicContact OD1-NZ 2.58Å; D224-K257 WeakPolarHBondContact OD2-CE 3.24Å; D224-K257 IonicContact OD2-NZ 2.62Å; D224-K257 PolarHBondContact OD2-NZ 3.18Å; F226-K257 HydrophobicContact CD2-CG 4.49Å; F226-K257 HydrophobicContact CE2-CB 3.47Å; F226-K257 VanDerWaalsContact CE2-CB 3.47Å; F226-K257 HydrophobicContact CE2-CD 3.72Å; F226-K257 HydrophobicContact CE2-CG 3.62Å; F226-K257 HydrophobicContact CZ-CB 3.64Å; F226-K257 HydrophobicContact CZ-CD 4.48Å; F226-K257 HydrophobicContact CZ-CG 4.31Å; N254-K257 PolarHBondContact O-N 2.73Å; N254-K257 WeakPolarHBondContact OD1-CA 3.46Å; N254-K257 PolarHBondContact OD1-N 3.5Å; N255-K257 VanDerWaalsContact C-N 3.28Å; N255-K257 PolarHBondContact O-N 3.39Å
258	T	97.4	Very high	97.8	Very high	32 Å²	32	21.1 Å²	21.1	20%	0.196	11%	0.106	C	C	.	.	S	Bend	trans	-110.7	-9.7	-179.5	55.5	0	0	0	0	113.7	N254 D256 S273 M274 R286	N254-T258 PolarHBondContact ND2-OG1 3.32Å; N254-T258 PolarHBondContact OD1-N 3.21Å; D256-T258 HydrophobicContact CB-CG2 4.34Å; D256-T258 WeakPolarHBondContact O-CG2 3.41Å; D256-T258 PolarHBondContact O-N 2.89Å; T258-S273 WeakPolarHBondContact O-CA 3.48Å; T258-M274 VanDerWaalsContact CA-O 3.3Å; T258-M274 WeakPolarHBondContact CA-O 3.48Å; T258-M274 WeakPolarHBondContact CB-O 3.36Å; T258-M274 PolarHBondContact O-N 2.84Å; T258-R286 PolarHBondContact O-NE 3.39Å; T258-R286 PolarHBondContact O-NH2 3.18Å
259	F	98.6	Very high	97.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	121.3	173.4	-169.9	-117	0	0	0	109.2	L203 W252 H253 N254 I261 V271 I272	L203-F259 HydrophobicContact CD2-CB 4.21Å; L203-F259 HydrophobicContact CD2-CD1 3.8Å; L203-F259 HydrophobicContact CD2-CE1 4.37Å; L203-F259 HydrophobicContact CD2-CG 4Å; W252-F259 AromaticContact CH2-CD1 3.84Å; W252-F259 HydrophobicContact CH2-CD1 3.84Å; W252-F259 HydrophobicContact CH2-CE1 4.45Å; W252-F259 AromaticContact CZ3-CD1 3.49Å; W252-F259 HydrophobicContact CZ3-CD1 3.49Å; W252-F259 VanDerWaalsContact CZ3-CD1 3.49Å; W252-F259 HydrophobicContact CZ3-CE1 4.06Å; W252-F259 HydrophobicContact CZ3-CG 4.39Å; W252-F259 WeakPolarHBondContact CZ3-O 3.24Å; H253-F259 CarbonylContact C-O 3.58Å; H253-F259 VanDerWaalsContact CA-O 3.3Å; H253-F259 WeakPolarHBondContact CA-O 3.42Å; N254-F259 HydrophobicContact CB-CB 4.4Å; N254-F259 PolarHBondContact N-O 2.85Å; N254-F259 PolarHBondContact OD1-N 2.8Å; N254-F259 PolarHBondContact OD1-O 2.89Å; F259-I261 HydrophobicContact CE1-CD1 4.02Å; F259-I261 HydrophobicContact CE1-CG1 4.43Å; F259-I261 HydrophobicContact CZ-CD1 4.36Å; F259-V271 HydrophobicContact CE2-CG1 3.48Å; F259-V271 VanDerWaalsContact CE2-CG1 3.48Å; F259-V271 HydrophobicContact CZ-CG1 3.42Å; F259-V271 VanDerWaalsContact CZ-CG1 3.42Å; F259-I272 CarbonylContact C-O 3.43Å; F259-I272 WeakPolarHBondContact CA-O 3.37Å; F259-I272 VanDerWaalsContact CD2-O 3.29Å; F259-I272 WeakPolarHBondContact CD2-O 3.49Å
260	L	98.1	Very high	97.8	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.2	-172	-52.5	91.7	0	0	0	110.5	F226 I251 W252 H253 I272 M274	F226-L260 HydrophobicContact CB-CD2 3.65Å; F226-L260 HydrophobicContact CD1-CD2 3.4Å; F226-L260 VanDerWaalsContact CD1-CD2 3.4Å; F226-L260 HydrophobicContact CD2-CD2 3.8Å; F226-L260 HydrophobicContact CE1-CD1 4.47Å; F226-L260 HydrophobicContact CE1-CD2 3.95Å; F226-L260 HydrophobicContact CE2-CD2 4.31Å; F226-L260 HydrophobicContact CG-CD2 3.33Å; F226-L260 HydrophobicContact CZ-CD2 4.39Å; I251-L260 HydrophobicContact CD1-CD2 4.27Å; W252-L260 CarbonylContact O-C 3.57Å; W252-L260 WeakPolarHBondContact O-CA 3.5Å; H253-L260 HydrophobicContact CB-CB 4.31Å; H253-L260 HydrophobicContact CB-CD2 4.01Å; H253-L260 HydrophobicContact CB-CG 3.8Å; L260-I272 HydrophobicContact CB-CB 4.25Å; L260-I272 HydrophobicContact CD1-CG2 4.27Å; L260-I272 PolarHBondContact N-O 2.91Å; L260-I272 PolarHBondContact O-N 2.96Å; L260-M274 HydrophobicContact CD1-CG 3.76Å; L260-M274 HydrophobicContact CD1-SD 3.89Å
261	I	98.6	Very high	97.9	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	117.1	175.4	-60.4	175.2	0	0	0	108.6	V192 L196 W252 F259 I263 T269 R270 V271 V294	V192-I261 HydrophobicContact CG1-CG2 4.48Å; L196-I261 HydrophobicContact CD1-CB 4.15Å; L196-I261 HydrophobicContact CD1-CD1 3.88Å; L196-I261 HydrophobicContact CD1-CG2 4.25Å; L196-I261 HydrophobicContact CD2-CD1 3.32Å; L196-I261 HydrophobicContact CG-CD1 4.23Å; W252-I261 HydrophobicContact CE3-CB 4.25Å; W252-I261 HydrophobicContact CE3-CD1 4.17Å; W252-I261 HydrophobicContact CE3-CG1 4.09Å; W252-I261 HydrophobicContact CZ3-CD1 4.42Å; W252-I261 HydrophobicContact CZ3-CG1 4.48Å; W252-I261 PolarHBondContact N-O 3.06Å; W252-I261 PolarHBondContact O-N 3.12Å; F259-I261 HydrophobicContact CE1-CD1 4.02Å; F259-I261 HydrophobicContact CE1-CG1 4.43Å; F259-I261 HydrophobicContact CZ-CD1 4.36Å; I261-I263 HydrophobicContact CG2-CG1 4.2Å; I261-T269 HydrophobicContact CG2-CG2 4.33Å; I261-R270 VanDerWaalsContact CA-O 3.3Å; I261-R270 WeakPolarHBondContact CA-O 3.21Å; I261-V271 HydrophobicContact CD1-CG2 4.32Å; I261-V271 HydrophobicContact CG1-CB 4.45Å; I261-V271 HydrophobicContact CG1-CG1 4.24Å; I261-V271 HydrophobicContact CG1-CG2 4.18Å; I261-V294 HydrophobicContact CD1-CG2 4.11Å
262	W	98.4	Very high	97.9	Very high	36 Å²	36	21.5 Å²	21.5	14%	0.136	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	137.6	167.6	-57.2	-17.9	0	0	0	109.2	F226 F228 T269 R270 I272	F226-W262 WeakPolarHBondContact O-CZ2 3.48Å; F226-W262 PolarHBondContact O-NE1 3.48Å; F228-W262 HydrophobicContact CB-CD2 4.18Å; F228-W262 HydrophobicContact CB-CE3 3.99Å; F228-W262 HydrophobicContact CB-CH2 3.95Å; F228-W262 HydrophobicContact CB-CZ2 4.14Å; F228-W262 HydrophobicContact CB-CZ3 3.87Å; F228-W262 HydrophobicContact CD1-CB 3.76Å; F228-W262 AromaticContact CD1-CD1 3.56Å; F228-W262 AromaticContact CD1-CD2 3.41Å; F228-W262 HydrophobicContact CD1-CD2 3.41Å; F228-W262 VanDerWaalsContact CD1-CD2 3.41Å; F228-W262 AromaticContact CD1-CE2 3.71Å; F228-W262 AromaticContact CD1-CE3 3.93Å; F228-W262 HydrophobicContact CD1-CE3 3.93Å; F228-W262 AromaticContact CD1-CG 3.33Å; F228-W262 HydrophobicContact CD1-CG 3.33Å; F228-W262 HydrophobicContact CD1-CZ2 4.43Å; F228-W262 AromaticContact CD1-NE1 3.76Å; F228-W262 HydrophobicContact CE1-CB 3.5Å; F228-W262 VanDerWaalsContact CE1-CB 3.5Å; F228-W262 AromaticContact CE1-CD1 3.75Å; F228-W262 HydrophobicContact CE1-CD2 4.12Å; F228-W262 AromaticContact CE1-CG 3.54Å; F228-W262 HydrophobicContact CE1-CG 3.54Å; F228-W262 HydrophobicContact CG-CD2 4.1Å; F228-W262 HydrophobicContact CG-CE3 4.17Å; F228-W262 HydrophobicContact CG-CG 4.38Å; F228-W262 HydrophobicContact CZ-CB 4.31Å; W262-T269 CarbonylContact O-C 3.59Å; W262-T269 VanDerWaalsContact O-CA 3.25Å; W262-T269 WeakPolarHBondContact O-CA 3.45Å; W262-R270 HydrophobicContact CB-CB 4.15Å; W262-R270 HydrophobicContact CE3-CB 4.36Å; W262-R270 PolarHBondContact N-O 3.24Å; W262-R270 PolarHBondContact O-N 3.06Å; W262-I272 HydrophobicContact CD2-CD1 4.03Å; W262-I272 HydrophobicContact CG-CD1 4.37Å; W262-I272 HydrophobicContact CZ2-CD1 4.27Å
263	I	98.8	Very high	97.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.9	-176.2	-54.4	-177.1	0	0	0	108.8	E189 V192 V193 L196 Y207 G250 I261 E265 H268	E189-I263 HydrophobicContact CB-CG2 4.34Å; V192-I263 HydrophobicContact CB-CD1 4.15Å; V192-I263 HydrophobicContact CG1-CD1 3.59Å; V192-I263 HydrophobicContact CG1-CG1 3.98Å; V193-I263 HydrophobicContact CG2-CD1 3.73Å; L196-I263 HydrophobicContact CD1-CD1 4.34Å; Y207-I263 HydrophobicContact CD2-CD1 3.98Å; Y207-I263 HydrophobicContact CE2-CD1 3.65Å; Y207-I263 HydrophobicContact CE2-CG1 4.41Å; G250-I263 PolarHBondContact N-O 2.85Å; G250-I263 PolarHBondContact O-N 3.08Å; I261-I263 HydrophobicContact CG2-CG1 4.2Å; I263-E265 VanDerWaalsContact C-N 3.35Å; I263-E265 PolarHBondContact O-N 2.75Å; I263-H268 WeakPolarHBondContact CA-O 3.44Å
264	N	98.6	Very high	97.9	Very high	5 Å²	5	22.8 Å²	22.8	3%	0.027	11%	0.114	C	C	.	.	S	Bend	trans	59.7	31.4	174.5	-69	-41.9	0	0	0	116.6	R185 V188 A248 R249 H268	R185-N264 HydrophobicContact CG-CB 3.9Å; R185-N264 VanDerWaalsContact CG-CG 3.5Å; R185-N264 WeakPolarHBondContact CG-ND2 3.41Å; R185-N264 PolarHBondContact O-ND2 2.98Å; V188-N264 VanDerWaalsContact CG1-OD1 3.24Å; V188-N264 WeakPolarHBondContact CG1-OD1 3.47Å; A248-N264 VanDerWaalsContact O-CB 3.31Å; A248-N264 WeakPolarHBondContact O-CB 3.48Å; A248-N264 PolarHBondContact O-ND2 3.09Å; R249-N264 WeakPolarHBondContact CD-O 3.48Å; R249-N264 HydrophobicContact CG-CB 3.98Å; R249-N264 WeakPolarHBondContact CG-O 3.27Å; R249-N264 PolarHBondContact NE-O 3.08Å; N264-H268 PolarHBondContact N-O 2.68Å
265	E	95.5	Very high	97.7	Very high	20 Å²	20	23.8 Å²	23.8	9%	0.093	12%	0.119	C	C	.	.	S	Bend	trans	-83.2	-106.2	170.6	-166.6	-88.2	147.3	0	0	110	F228 I263 D267	F228-E265 HydrophobicContact CB-CG 4.15Å; F228-E265 HydrophobicContact CD2-CB 3.78Å; F228-E265 HydrophobicContact CD2-CG 3.24Å; F228-E265 HydrophobicContact CE2-CB 3.64Å; F228-E265 HydrophobicContact CE2-CG 3.64Å; F228-E265 HydrophobicContact CG-CB 4.29Å; F228-E265 HydrophobicContact CG-CG 3.75Å; F228-E265 HydrophobicContact CZ-CB 4.08Å; F228-E265 HydrophobicContact CZ-CG 4.45Å; I263-E265 VanDerWaalsContact C-N 3.35Å; I263-E265 PolarHBondContact O-N 2.75Å; E265-D267 PolarHBondContact N-O 2.95Å
266	E	95.7	Very high	97.6	Very high	39 Å²	39	26.6 Å²	26.6	18%	0.182	13%	0.126	C	C	.	.	S	Bend	trans	-86.1	-15.1	179.5	72.6	-173.6	165.5	0	0	113.7	R166 L236 M241 R270 T316	R166-E266 IonicContact CZ-OE1 3.31Å; R166-E266 IonicContact NH2-OE1 2.87Å; R166-E266 PolarHBondContact NH2-OE1 3.5Å; L236-E266 HydrophobicContact CD2-CB 4.41Å; M241-E266 VanDerWaalsContact CE-CA 3.41Å; M241-E266 HydrophobicContact CE-CB 3.77Å; M241-E266 WeakPolarHBondContact CE-O 3.41Å; E266-R270 VanDerWaalsContact CD-CZ 3.49Å; E266-R270 HydrophobicContact CG-CG 4.44Å; E266-R270 IonicContact OE1-CZ 3.43Å; E266-R270 IonicContact OE1-NE 2.69Å; E266-R270 PolarHBondContact OE1-NE 3.28Å; E266-R270 IonicContact OE1-NH1 3.84Å; E266-R270 IonicContact OE1-NH2 2.74Å; E266-R270 PolarHBondContact OE1-NH2 3.39Å; E266-R270 IonicContact OE2-NH2 3.79Å; E266-R270 PolarHBondContact OE2-NH2 3.34Å; E266-T316 PolarHBondContact O-OG1 3.49Å
267	D	98.6	Very high	97.6	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.011	10%	0.102	C	C	.	.	S	Bend	trans	-144	170.3	175.7	-72	-64.5	0	0	0	107.9	E265 T269 R270 L315 T316	E265-D267 PolarHBondContact N-O 2.95Å; D267-T269 VanDerWaalsContact C-N 3.27Å; D267-T269 PolarHBondContact O-N 2.61Å; D267-R270 IonicContact OD2-CZ 3.7Å; D267-R270 IonicContact OD2-NE 3.77Å; D267-R270 PolarHBondContact OD2-NE 3.31Å; D267-R270 IonicContact OD2-NH2 2.87Å; D267-R270 PolarHBondContact OD2-NH2 3.46Å; D267-L315 HydrophobicContact CB-CD2 4.17Å; D267-T316 VanDerWaalsContact OD1-CB 3.25Å; D267-T316 WeakPolarHBondContact OD1-CB 3.44Å; D267-T316 PolarHBondContact OD1-N 2.54Å; D267-T316 PolarHBondContact OD1-OG1 2.87Å
268	H	98.9	Very high	97.7	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	9%	0.088	C	C	.	.	S	Bend	trans	-56.1	-45.7	176.8	-70.8	-171.3	0	0	0	111.1	I171 L174 S175 V188 I263 N264	I171-H268 PolarHBondContact N-ND1 3.02Å; L174-H268 PolarHBondContact O-CE1 3.01Å; S175-H268 PolarHBondContact O-NE2 2.78Å; V188-H268 HydrophobicContact CG1-CB 3.63Å; I263-H268 WeakPolarHBondContact CA-O 3.44Å; N264-H268 PolarHBondContact N-O 2.68Å
269	T	98.8	Very high	97.7	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.031	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	144.1	173	64.9	0	0	0	0	112	G168 R169 V192 I261 W262 D267	G168-T269 CarbonylContact C-O 3.6Å; G168-T269 WeakPolarHBondContact CA-O 3.11Å; R169-T269 WeakPolarHBondContact CB-OG1 3.47Å; R169-T269 PolarHBondContact N-O 3.1Å; R169-T269 VanDerWaalsContact N-O 3.09Å; R169-T269 PolarHBondContact N-OG1 2.92Å; R169-T269 PolarHBondContact O-N 2.81Å; R169-T269 VanDerWaalsContact O-N 3.08Å; R169-T269 PolarHBondContact O-OG1 3Å; V192-T269 HydrophobicContact CB-CG2 4.32Å; V192-T269 HydrophobicContact CG1-CG2 3.82Å; V192-T269 HydrophobicContact CG2-CG2 3.52Å; I261-T269 HydrophobicContact CG2-CG2 4.33Å; W262-T269 CarbonylContact O-C 3.59Å; W262-T269 VanDerWaalsContact O-CA 3.25Å; W262-T269 WeakPolarHBondContact O-CA 3.45Å; D267-T269 VanDerWaalsContact C-N 3.27Å; D267-T269 PolarHBondContact O-N 2.61Å
270	R	98.5	Very high	97.7	Very high	3 Å²	3	18.6 Å²	18.6	1%	0.011	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	108.5	161.7	-68.6	-65.6	-170.5	144.8	0.5	109.3	R166 T167 I261 W262 E266 D267 N320	R166-R270 VanDerWaalsContact NH2-CZ 3.34Å; T167-R270 CarbonylContact O-C 3.59Å; T167-R270 WeakPolarHBondContact O-CA 3.44Å; T167-R270 WeakPolarHBondContact O-CD 3.33Å; I261-R270 VanDerWaalsContact CA-O 3.3Å; I261-R270 WeakPolarHBondContact CA-O 3.21Å; W262-R270 HydrophobicContact CB-CB 4.15Å; W262-R270 HydrophobicContact CE3-CB 4.36Å; W262-R270 PolarHBondContact N-O 3.24Å; W262-R270 PolarHBondContact O-N 3.06Å; E266-R270 VanDerWaalsContact CD-CZ 3.49Å; E266-R270 HydrophobicContact CG-CG 4.44Å; E266-R270 IonicContact OE1-CZ 3.43Å; E266-R270 IonicContact OE1-NE 2.69Å; E266-R270 PolarHBondContact OE1-NE 3.28Å; E266-R270 IonicContact OE1-NH1 3.84Å; E266-R270 IonicContact OE1-NH2 2.74Å; E266-R270 PolarHBondContact OE1-NH2 3.39Å; E266-R270 IonicContact OE2-NH2 3.79Å; E266-R270 PolarHBondContact OE2-NH2 3.34Å; D267-R270 IonicContact OD2-CZ 3.7Å; D267-R270 IonicContact OD2-NE 3.77Å; D267-R270 PolarHBondContact OD2-NE 3.31Å; D267-R270 IonicContact OD2-NH2 2.87Å; D267-R270 PolarHBondContact OD2-NH2 3.46Å; R270-N320 PolarHBondContact NH2-ND2 2.86Å
271	V	98.6	Very high	97.7	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.2	-179.8	-176.1	0	0	0	0	109.2	R166 T167 F259 I261 L291	R166-V271 CarbonylContact C-O 3.5Å; R166-V271 VanDerWaalsContact CA-O 3.23Å; R166-V271 WeakPolarHBondContact CA-O 3.42Å; T167-V271 HydrophobicContact CG2-CB 4.28Å; T167-V271 PolarHBondContact N-O 3Å; T167-V271 PolarHBondContact O-N 3.49Å; F259-V271 HydrophobicContact CE2-CG1 3.48Å; F259-V271 VanDerWaalsContact CE2-CG1 3.48Å; F259-V271 HydrophobicContact CZ-CG1 3.42Å; F259-V271 VanDerWaalsContact CZ-CG1 3.42Å; I261-V271 HydrophobicContact CD1-CG2 4.32Å; I261-V271 HydrophobicContact CG1-CB 4.45Å; I261-V271 HydrophobicContact CG1-CG1 4.24Å; I261-V271 HydrophobicContact CG1-CG2 4.18Å; V271-L291 HydrophobicContact CB-CD1 4.16Å; V271-L291 HydrophobicContact CG1-CD1 4.13Å; V271-L291 HydrophobicContact CG2-CD1 3.91Å
272	I	98.6	Very high	97.8	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.015	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.5	-169.6	-59.7	160.3	0	0	0	108.8	R164 V165 R166 F259 L260 W262 M274	R164-I272 HydrophobicContact CG-CG2 4.13Å; V165-I272 WeakPolarHBondContact O-CA 3.41Å; R166-I272 HydrophobicContact CB-CG1 3.9Å; F259-I272 CarbonylContact C-O 3.43Å; F259-I272 WeakPolarHBondContact CA-O 3.37Å; F259-I272 VanDerWaalsContact CD2-O 3.29Å; F259-I272 WeakPolarHBondContact CD2-O 3.49Å; L260-I272 HydrophobicContact CB-CB 4.25Å; L260-I272 HydrophobicContact CD1-CG2 4.27Å; L260-I272 PolarHBondContact N-O 2.91Å; L260-I272 PolarHBondContact O-N 2.96Å; W262-I272 HydrophobicContact CD2-CD1 4.03Å; W262-I272 HydrophobicContact CG-CD1 4.37Å; W262-I272 HydrophobicContact CZ2-CD1 4.27Å; I272-M274 HydrophobicContact CG2-CB 4.45Å; I272-M274 HydrophobicContact CG2-CG 4.27Å; I272-M274 HydrophobicContact CG2-SD 4.05Å
273	S	98.6	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.5	162.6	-175.9	0	0	0	0	108.1	R164 V165 T258 V283 R286	R164-S273 CarbonylContact C-O 3.59Å; R164-S273 WeakPolarHBondContact CA-O 3.26Å; V165-S273 PolarHBondContact N-O 3.01Å; V165-S273 PolarHBondContact O-N 3.44Å; T258-S273 WeakPolarHBondContact O-CA 3.48Å; S273-V283 WeakPolarHBondContact CB-O 3.49Å; S273-V283 VanDerWaalsContact O-CG1 3.28Å; S273-V283 WeakPolarHBondContact O-CG1 3.46Å; S273-V283 PolarHBondContact OG-O 3.17Å; S273-R286 PolarHBondContact OG-NE 2.92Å; S273-R286 VanDerWaalsContact OG-NE 3.14Å; S273-R286 PolarHBondContact OG-NH2 3.27Å
274	M	97.1	Very high	97.8	Very high	41 Å²	41	25 Å²	25	20%	0.202	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	157.2	178.7	61.1	-171.2	-74	0	0	112.3	S163 R164 F226 T258 L260 I272 R286	S163-M274 VanDerWaalsContact O-CA 3.3Å; S163-M274 WeakPolarHBondContact O-CA 3.44Å; R164-M274 HydrophobicContact CB-CB 3.89Å; R164-M274 HydrophobicContact CG-CB 3.92Å; F226-M274 HydrophobicContact CD1-SD 4.32Å; F226-M274 HydrophobicContact CE1-CE 4.07Å; F226-M274 HydrophobicContact CE1-SD 4.03Å; T258-M274 VanDerWaalsContact CA-O 3.3Å; T258-M274 WeakPolarHBondContact CA-O 3.48Å; T258-M274 WeakPolarHBondContact CB-O 3.36Å; T258-M274 PolarHBondContact O-N 2.84Å; L260-M274 HydrophobicContact CD1-CG 3.76Å; L260-M274 HydrophobicContact CD1-SD 3.89Å; I272-M274 HydrophobicContact CG2-CB 4.45Å; I272-M274 HydrophobicContact CG2-CG 4.27Å; I272-M274 HydrophobicContact CG2-SD 4.05Å; M274-R286 PolarHBondContact O-NH2 3.38Å
275	E	95.5	Very high	97.8	Very high	21 Å²	21	28.5 Å²	28.5	10%	0.098	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	162.7	170.5	65.6	-159.8	-130.5	0	0	111.2	S162 S163 N279 R282 V283 R286	S162-E275 WeakPolarHBondContact CA-O 3.2Å; S162-E275 WeakPolarHBondContact CB-O 3.25Å; S163-E275 PolarHBondContact N-O 3.49Å; S163-E275 PolarHBondContact O-N 3.32Å; E275-N279 WeakPolarHBondContact OE1-CB 3.18Å; E275-R282 IonicContact OE1-CZ 3.09Å; E275-R282 IonicContact OE1-NE 2.75Å; E275-R282 PolarHBondContact OE1-NE 3.4Å; E275-R282 IonicContact OE1-NH2 2.95Å; E275-R282 PolarHBondContact OE1-NH2 3.01Å; E275-R282 IonicContact OE2-NE 3.53Å; E275-R282 PolarHBondContact OE2-NE 2.97Å; E275-V283 HydrophobicContact CB-CG2 4.36Å; E275-V283 HydrophobicContact CG-CG2 3.36Å; E275-V283 WeakPolarHBondContact OE2-CG2 3.16Å; E275-R286 IonicContact OE2-CZ 3.12Å; E275-R286 IonicContact OE2-NH1 3.87Å; E275-R286 PolarHBondContact OE2-NH1 3.02Å; E275-R286 IonicContact OE2-NH2 3.18Å; E275-R286 PolarHBondContact OE2-NH2 3.41Å
276	K	95.1	Very high	97.9	Very high	167 Å²	167	28.3 Å²	28.3	73%	0.726	13%	0.128	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	152.5	168	-63.7	-67.2	-175.3	178.3	0	110
277	G	96.1	Very high	98.1	Very high	10 Å²	10	26.5 Å²	26.5	10%	0.103	12%	0.119	C	C	.	.	S	Bend	trans	81.6	-163.9	-178.1	0	0	0	0	0	114.2	L161 S162 S163	L161-G277 PolarHBondContact O-N 3.49Å; S162-G277 CarbonylContact C-O 3.34Å; S162-G277 WeakPolarHBondContact CA-O 3.35Å; S163-G277 PolarHBondContact N-O 3.49Å; S163-G277 PolarHBondContact OG-O 2.87Å
278	G	97	Very high	98.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-107.2	5.3	-162.1	0	0	0	0	0	116.1	F155 E157 M280	F155-G278 WeakPolarHBondContact CD2-O 3.21Å; F155-G278 PolarHBondContact N-O 2.67Å; E157-G278 PolarHBondContact OE1-N 2.94Å; G278-M280 VanDerWaalsContact C-N 3.3Å; G278-M280 PolarHBondContact O-N 3.02Å
279	N	98.5	Very high	98.1	Very high	35 Å²	35	31.7 Å²	31.7	19%	0.187	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-83.1	69.7	-172.1	-163.5	-24.5	0	0	0	112.8	G153 Q154 E275 K281 R282 V283	G153-N279 CarbonylContact O-C 3.59Å; Q154-N279 VanDerWaalsContact OE1-CB 3.23Å; E275-N279 WeakPolarHBondContact OE1-CB 3.18Å; N279-K281 PolarHBondContact O-N 2.82Å; N279-R282 HydrophobicContact CB-CB 4.32Å; N279-R282 PolarHBondContact O-N 3.48Å; N279-R282 VanDerWaalsContact OD1-CB 3.32Å; N279-R282 WeakPolarHBondContact OD1-CB 3.37Å; N279-R282 PolarHBondContact OD1-N 2.78Å; N279-V283 WeakPolarHBondContact O-CG2 3.43Å; N279-V283 PolarHBondContact O-N 2.96Å; N279-V283 VanDerWaalsContact O-N 3.16Å
280	M	98.7	Very high	98.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.5	-34.5	177.6	-177.2	58.1	70.9	0	0	112.8	G153 F155 V165 G278 V283 F284 G328 V329 V384 V387 I388	G153-M280 WeakPolarHBondContact O-CB 3.21Å; G153-M280 PolarHBondContact O-N 2.8Å; F155-M280 HydrophobicContact CD2-CB 4.29Å; F155-M280 HydrophobicContact CE2-CB 3.59Å; F155-M280 HydrophobicContact CE2-CE 4.03Å; F155-M280 HydrophobicContact CE2-CG 4.24Å; F155-M280 HydrophobicContact CZ-CB 4.13Å; V165-M280 HydrophobicContact CG2-SD 3.61Å; G278-M280 VanDerWaalsContact C-N 3.3Å; G278-M280 PolarHBondContact O-N 3.02Å; M280-V283 PolarHBondContact O-N 2.9Å; M280-F284 WeakPolarHBondContact O-CB 3.45Å; M280-F284 PolarHBondContact O-N 3.4Å; M280-G328 WeakPolarHBondContact CE-O 3.26Å; M280-V329 HydrophobicContact CE-CG1 3.92Å; M280-V384 HydrophobicContact CG-CG1 4.11Å; M280-V387 HydrophobicContact CE-CG1 4.42Å; M280-I388 HydrophobicContact CB-CG1 4.36Å; M280-I388 HydrophobicContact CG-CD1 4.2Å; M280-I388 HydrophobicContact CG-CG1 3.99Å
281	K	98.6	Very high	98.1	Very high	52 Å²	52	31.3 Å²	31.3	23%	0.226	14%	0.137	C	C	.	.	H	α-helix	trans	-58.7	-52.6	176.7	175.9	171.3	175	142.7	0	111.3	I150 T151 G153 N279 V283 F284 E285	I150-K281 HydrophobicContact CG2-CB 4.22Å; I150-K281 HydrophobicContact CG2-CG 4.3Å; I150-K281 WeakPolarHBondContact O-CD 3.41Å; I150-K281 VanDerWaalsContact O-CE 3.24Å; I150-K281 WeakPolarHBondContact O-CE 3.41Å; I150-K281 PolarHBondContact O-NZ 2.89Å; T151-K281 PolarHBondContact O-NZ 3.01Å; G153-K281 PolarHBondContact O-N 2.86Å; N279-K281 PolarHBondContact O-N 2.82Å; K281-V283 VanDerWaalsContact C-N 3.33Å; K281-V283 PolarHBondContact O-N 3.04Å; K281-F284 PolarHBondContact O-N 2.84Å; K281-F284 VanDerWaalsContact O-N 3.12Å; K281-E285 WeakPolarHBondContact CE-OE1 3.36Å; K281-E285 HydrophobicContact CG-CG 4.41Å; K281-E285 WeakPolarHBondContact O-CG 3.43Å; K281-E285 PolarHBondContact O-N 3.32Å
282	R	98.7	Very high	98.1	Very high	120 Å²	120	36.3 Å²	36.3	45%	0.453	16%	0.159	S	C	.	.	H	α-helix	trans	-62.9	-39.5	178.9	-177.4	172.6	61.3	-163.4	-2.5	112.2	E275 N279 F284 E285 R286	E275-R282 IonicContact OE1-CZ 3.09Å; E275-R282 IonicContact OE1-NE 2.75Å; E275-R282 PolarHBondContact OE1-NE 3.4Å; E275-R282 IonicContact OE1-NH2 2.95Å; E275-R282 PolarHBondContact OE1-NH2 3.01Å; E275-R282 IonicContact OE2-NE 3.53Å; E275-R282 PolarHBondContact OE2-NE 2.97Å; N279-R282 HydrophobicContact CB-CB 4.32Å; N279-R282 PolarHBondContact O-N 3.48Å; N279-R282 VanDerWaalsContact OD1-CB 3.32Å; N279-R282 WeakPolarHBondContact OD1-CB 3.37Å; N279-R282 PolarHBondContact OD1-N 2.78Å; R282-F284 VanDerWaalsContact C-N 3.3Å; R282-F284 PolarHBondContact O-N 3.39Å; R282-E285 PolarHBondContact O-N 2.99Å; R282-R286 WeakPolarHBondContact O-CB 3.5Å; R282-R286 PolarHBondContact O-N 2.87Å
283	V	98.8	Very high	98.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56.8	-46.6	173	176.1	0	0	0	0	110.6	V165 S273 E275 N279 M280 K281 F287	V165-V283 HydrophobicContact CB-CG1 4.18Å; V165-V283 HydrophobicContact CG2-CG1 3.78Å; S273-V283 WeakPolarHBondContact CB-O 3.49Å; S273-V283 VanDerWaalsContact O-CG1 3.28Å; S273-V283 WeakPolarHBondContact O-CG1 3.46Å; S273-V283 PolarHBondContact OG-O 3.17Å; E275-V283 HydrophobicContact CB-CG2 4.36Å; E275-V283 HydrophobicContact CG-CG2 3.36Å; E275-V283 WeakPolarHBondContact OE2-CG2 3.16Å; N279-V283 WeakPolarHBondContact O-CG2 3.43Å; N279-V283 PolarHBondContact O-N 2.96Å; N279-V283 VanDerWaalsContact O-N 3.16Å; M280-V283 PolarHBondContact O-N 2.9Å; K281-V283 VanDerWaalsContact C-N 3.33Å; K281-V283 PolarHBondContact O-N 3.04Å; V283-F287 VanDerWaalsContact O-CB 3.31Å; V283-F287 WeakPolarHBondContact O-CB 3.24Å; V283-F287 PolarHBondContact O-N 3.02Å
284	F	98.8	Very high	98.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-73.4	-35.4	-177.5	-171.8	-123.3	0	0	0	113.3	A147 I150 V165 M280 K281 R282 F287 C288 L325 E380 V381 V384	A147-F284 HydrophobicContact CB-CD1 3.92Å; A147-F284 HydrophobicContact CB-CE1 4.19Å; I150-F284 HydrophobicContact CB-CD1 4.49Å; I150-F284 HydrophobicContact CG1-CD1 3.66Å; I150-F284 HydrophobicContact CG1-CE1 3.83Å; V165-F284 HydrophobicContact CG1-CD2 4.3Å; V165-F284 HydrophobicContact CG2-CD2 4.45Å; M280-F284 WeakPolarHBondContact O-CB 3.45Å; M280-F284 PolarHBondContact O-N 3.4Å; K281-F284 PolarHBondContact O-N 2.84Å; K281-F284 VanDerWaalsContact O-N 3.12Å; R282-F284 VanDerWaalsContact C-N 3.3Å; R282-F284 PolarHBondContact O-N 3.39Å; F284-F287 HydrophobicContact CD2-CB 4.45Å; F284-F287 AromaticContact CD2-CD1 3.9Å; F284-F287 HydrophobicContact CD2-CD1 3.9Å; F284-F287 AromaticContact CE2-CD1 3.89Å; F284-F287 HydrophobicContact CE2-CD1 3.89Å; F284-F287 HydrophobicContact CE2-CE1 4.3Å; F284-F287 WeakPolarHBondContact O-CB 3.27Å; F284-F287 PolarHBondContact O-N 2.91Å; F284-C288 WeakPolarHBondContact CE2-SG 3.18Å; F284-C288 WeakPolarHBondContact CZ-SG 3.3Å; F284-C288 PolarHBondContact O-N 2.8Å; F284-C288 PolarHBondContact O-SG 3.25Å; F284-L325 HydrophobicContact CE2-CD1 4.25Å; F284-E380 HydrophobicContact CE2-CB 4.34Å; F284-E380 HydrophobicContact CZ-CB 4.16Å; F284-V381 HydrophobicContact CE1-CG2 3.94Å; F284-V381 HydrophobicContact CZ-CG2 4.18Å; F284-V384 HydrophobicContact CB-CG1 4.4Å; F284-V384 HydrophobicContact CD1-CG1 4.27Å; F284-V384 HydrophobicContact CD1-CG2 4.45Å; F284-V384 HydrophobicContact CD2-CG2 3.65Å; F284-V384 HydrophobicContact CE1-CG2 4.43Å; F284-V384 HydrophobicContact CE2-CG2 3.64Å; F284-V384 HydrophobicContact CG-CG1 4.18Å; F284-V384 HydrophobicContact CG-CG2 4.07Å; F284-V384 HydrophobicContact CZ-CG2 4.04Å
285	E	98.8	Very high	98.1	Very high	78 Å²	78	39 Å²	39	36%	0.364	17%	0.171	S	C	.	.	H	α-helix	trans	-60.1	-48.4	172.1	-74.3	170.6	166.3	0	0	111.2	A147 K281 R282 F287 C288 R289	A147-E285 HydrophobicContact CB-CB 4.35Å; A147-E285 HydrophobicContact CB-CG 3.87Å; K281-E285 WeakPolarHBondContact CE-OE1 3.36Å; K281-E285 HydrophobicContact CG-CG 4.41Å; K281-E285 WeakPolarHBondContact O-CG 3.43Å; K281-E285 PolarHBondContact O-N 3.32Å; R282-E285 PolarHBondContact O-N 2.99Å; E285-F287 VanDerWaalsContact C-N 3.35Å; E285-C288 PolarHBondContact O-N 3.45Å; E285-R289 WeakPolarHBondContact O-CB 3.25Å; E285-R289 PolarHBondContact O-N 3.13Å
286	R	98.8	Very high	98.3	Very high	17 Å²	17	42.8 Å²	42.8	6%	0.064	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-42.2	174.5	-178.6	171.8	60.8	-102.1	4.4	111.6	L203 T258 S273 M274 E275 R282 R289 G290	L203-R286 HydrophobicContact CD2-CG 4.14Å; T258-R286 PolarHBondContact O-NE 3.39Å; T258-R286 PolarHBondContact O-NH2 3.18Å; S273-R286 PolarHBondContact OG-NE 2.92Å; S273-R286 VanDerWaalsContact OG-NE 3.14Å; S273-R286 PolarHBondContact OG-NH2 3.27Å; M274-R286 PolarHBondContact O-NH2 3.38Å; E275-R286 IonicContact OE2-CZ 3.12Å; E275-R286 IonicContact OE2-NH1 3.87Å; E275-R286 PolarHBondContact OE2-NH1 3.02Å; E275-R286 IonicContact OE2-NH2 3.18Å; E275-R286 PolarHBondContact OE2-NH2 3.41Å; R282-R286 WeakPolarHBondContact O-CB 3.5Å; R282-R286 PolarHBondContact O-N 2.87Å; R286-R289 PolarHBondContact O-N 3.26Å; R286-G290 PolarHBondContact O-N 2.92Å
287	F	98.9	Very high	98.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.4	-53.1	176.7	176.3	-97.1	0	0	0	111.8	L145 V165 T167 V283 F284 E285 R289 G290 L291 L325	L145-F287 HydrophobicContact CD2-CE1 4.08Å; V165-F287 HydrophobicContact CB-CB 4.47Å; V165-F287 HydrophobicContact CB-CD2 4.14Å; V165-F287 HydrophobicContact CB-CG 4.22Å; V165-F287 HydrophobicContact CG1-CB 4.47Å; V165-F287 HydrophobicContact CG1-CD1 3.9Å; V165-F287 HydrophobicContact CG1-CD2 3.78Å; V165-F287 HydrophobicContact CG1-CE1 4Å; V165-F287 HydrophobicContact CG1-CE2 3.88Å; V165-F287 HydrophobicContact CG1-CG 3.79Å; V165-F287 HydrophobicContact CG1-CZ 3.98Å; T167-F287 HydrophobicContact CG2-CE2 3.82Å; T167-F287 HydrophobicContact CG2-CZ 3.46Å; T167-F287 VanDerWaalsContact CG2-CZ 3.46Å; V283-F287 VanDerWaalsContact O-CB 3.31Å; V283-F287 WeakPolarHBondContact O-CB 3.24Å; V283-F287 PolarHBondContact O-N 3.02Å; F284-F287 HydrophobicContact CD2-CB 4.45Å; F284-F287 AromaticContact CD2-CD1 3.9Å; F284-F287 HydrophobicContact CD2-CD1 3.9Å; F284-F287 AromaticContact CE2-CD1 3.89Å; F284-F287 HydrophobicContact CE2-CD1 3.89Å; F284-F287 HydrophobicContact CE2-CE1 4.3Å; F284-F287 WeakPolarHBondContact O-CB 3.27Å; F284-F287 PolarHBondContact O-N 2.91Å; E285-F287 VanDerWaalsContact C-N 3.35Å; F287-R289 PolarHBondContact O-N 2.83Å; F287-G290 PolarHBondContact O-N 3.41Å; F287-L291 HydrophobicContact CE1-CD2 3.92Å; F287-L291 HydrophobicContact CZ-CD2 3.88Å; F287-L291 WeakPolarHBondContact O-CB 3.33Å; F287-L291 PolarHBondContact O-N 3.4Å; F287-L325 HydrophobicContact CE1-CD1 4.13Å; F287-L325 HydrophobicContact CZ-CD1 4.43Å
288	C	98.8	Very high	98.6	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.027	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-42.4	-178.2	-67.6	0	0	0	0	111.8	L145 A147 F284 E285 K292	L145-C288 HydrophobicContact CB-CB 4.49Å; A147-C288 HydrophobicContact CB-CB 4.11Å; F284-C288 WeakPolarHBondContact CE2-SG 3.18Å; F284-C288 WeakPolarHBondContact CZ-SG 3.3Å; F284-C288 PolarHBondContact O-N 2.8Å; F284-C288 PolarHBondContact O-SG 3.25Å; E285-C288 PolarHBondContact O-N 3.45Å; C288-K292 WeakPolarHBondContact O-CB 3.43Å; C288-K292 VanDerWaalsContact O-CG 3.28Å; C288-K292 WeakPolarHBondContact O-CG 3.41Å; C288-K292 PolarHBondContact O-N 3.45Å
289	R	98.8	Very high	98.6	Very high	109 Å²	109	40.1 Å²	40.1	41%	0.411	17%	0.171	S	C	.	.	H	α-helix	trans	-64.5	-48.6	178	-179.7	169.8	52.6	88.1	2.7	111.7	D202 L203 E285 R286 F287 L291 K292 E293	D202-R289 IonicContact OD1-CZ 2.65Å; D202-R289 IonicContact OD1-NH1 2.68Å; D202-R289 PolarHBondContact OD1-NH1 3.31Å; D202-R289 IonicContact OD1-NH2 3.55Å; D202-R289 PolarHBondContact OD1-NH2 3.21Å; D202-R289 IonicContact OD2-CZ 3.44Å; D202-R289 IonicContact OD2-NH1 2.74Å; D202-R289 IonicContact OD2-NH2 3.33Å; D202-R289 PolarHBondContact OD2-NH2 3.42Å; L203-R289 HydrophobicContact CD1-CG 4.35Å; L203-R289 VanDerWaalsContact CD1-NH1 3.35Å; E285-R289 WeakPolarHBondContact O-CB 3.25Å; E285-R289 PolarHBondContact O-N 3.13Å; R286-R289 PolarHBondContact O-N 3.26Å; F287-R289 PolarHBondContact O-N 2.83Å; R289-L291 PolarHBondContact O-N 3.49Å; R289-K292 PolarHBondContact O-N 3.11Å; R289-E293 WeakPolarHBondContact O-CB 3.45Å; R289-E293 PolarHBondContact O-N 2.88Å
290	G	98.6	Very high	98.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-44.8	178.1	0	0	0	0	0	112.1	R286 F287 E293 V294	R286-G290 PolarHBondContact O-N 2.92Å; F287-G290 PolarHBondContact O-N 3.41Å; G290-E293 PolarHBondContact O-N 3.33Å; G290-V294 VanDerWaalsContact O-CG2 3.27Å; G290-V294 WeakPolarHBondContact O-CG2 3.36Å; G290-V294 PolarHBondContact O-N 2.78Å
291	L	98.3	Very high	98.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-42.9	-179.3	-168.2	61.4	0	0	0	112.8	L145 T167 R169 V271 F287 R289 E293 V294 E295	L145-L291 HydrophobicContact CD1-CD2 3.96Å; L145-L291 HydrophobicContact CD2-CD2 4.24Å; T167-L291 HydrophobicContact CG2-CD1 4.32Å; T167-L291 HydrophobicContact CG2-CD2 4Å; R169-L291 HydrophobicContact CG-CD1 4.05Å; V271-L291 HydrophobicContact CB-CD1 4.16Å; V271-L291 HydrophobicContact CG1-CD1 4.13Å; V271-L291 HydrophobicContact CG2-CD1 3.91Å; F287-L291 HydrophobicContact CE1-CD2 3.92Å; F287-L291 HydrophobicContact CZ-CD2 3.88Å; F287-L291 WeakPolarHBondContact O-CB 3.33Å; F287-L291 PolarHBondContact O-N 3.4Å; R289-L291 PolarHBondContact O-N 3.49Å; L291-E293 VanDerWaalsContact C-N 3.35Å; L291-V294 PolarHBondContact O-N 2.86Å; L291-E295 WeakPolarHBondContact O-CB 3.41Å; L291-E295 PolarHBondContact O-N 3.26Å
292	K	98.7	Very high	98.3	Very high	106 Å²	106	51.9 Å²	51.9	46%	0.461	24%	0.235	S	C	.	.	H	α-helix	trans	-62.8	-40.7	175.1	-73.6	175.2	-173.5	176.1	0	111.9	L145 C288 R289 E295 R296	L145-K292 VanDerWaalsContact O-CE 3.22Å; L145-K292 WeakPolarHBondContact O-CE 3.42Å; L145-K292 PolarHBondContact O-NZ 3.43Å; C288-K292 WeakPolarHBondContact O-CB 3.43Å; C288-K292 VanDerWaalsContact O-CG 3.28Å; C288-K292 WeakPolarHBondContact O-CG 3.41Å; C288-K292 PolarHBondContact O-N 3.45Å; R289-K292 PolarHBondContact O-N 3.11Å; K292-E295 PolarHBondContact O-N 2.99Å; K292-R296 WeakPolarHBondContact O-CB 3.28Å; K292-R296 PolarHBondContact O-N 3.27Å
293	E	98.8	Very high	98.3	Very high	57 Å²	57	49.4 Å²	49.4	27%	0.266	23%	0.226	S	C	.	.	H	α-helix	trans	-70.4	-40.3	-180	-174.6	59.7	-164.6	0	0	112.2	L199 R289 G290 L291 E295 R296 L297	L199-E293 HydrophobicContact CD2-CB 4.07Å; L199-E293 HydrophobicContact CD2-CG 3.53Å; R289-E293 WeakPolarHBondContact O-CB 3.45Å; R289-E293 PolarHBondContact O-N 2.88Å; G290-E293 PolarHBondContact O-N 3.33Å; L291-E293 VanDerWaalsContact C-N 3.35Å; E293-E295 VanDerWaalsContact C-N 3.35Å; E293-E295 PolarHBondContact O-N 3.4Å; E293-R296 VanDerWaalsContact CD-NE 3.33Å; E293-R296 WeakPolarHBondContact O-CB 3.02Å; E293-R296 PolarHBondContact O-N 3.49Å; E293-R296 IonicContact OE1-CZ 3.08Å; E293-R296 VanDerWaalsContact OE1-CZ 3.31Å; E293-R296 IonicContact OE1-NE 3.78Å; E293-R296 PolarHBondContact OE1-NE 3.43Å; E293-R296 VanDerWaalsContact OE1-NE 3.12Å; E293-R296 IonicContact OE1-NH2 2.73Å; E293-R296 PolarHBondContact OE1-NH2 2.72Å; E293-R296 IonicContact OE2-CZ 2.85Å; E293-R296 IonicContact OE2-NE 3.49Å; E293-R296 PolarHBondContact OE2-NE 3.46Å; E293-L297 HydrophobicContact CG-CD1 4.02Å; E293-L297 WeakPolarHBondContact O-CD1 3.16Å; E293-L297 WeakPolarHBondContact O-CG 3.46Å; E293-L297 PolarHBondContact O-N 3.23Å
294	V	98.6	Very high	98.3	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.03	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-45.5	172.6	172.1	0	0	0	0	110.7	L196 L199 I261 G290 L291 R296 L297 I298 F305	L196-V294 HydrophobicContact CD2-CG1 4.32Å; L196-V294 HydrophobicContact CD2-CG2 3.65Å; L199-V294 HydrophobicContact CD1-CG2 4.13Å; L199-V294 HydrophobicContact CD2-CG2 4.2Å; I261-V294 HydrophobicContact CD1-CG2 4.11Å; G290-V294 VanDerWaalsContact O-CG2 3.27Å; G290-V294 WeakPolarHBondContact O-CG2 3.36Å; G290-V294 PolarHBondContact O-N 2.78Å; L291-V294 PolarHBondContact O-N 2.86Å; V294-R296 VanDerWaalsContact C-N 3.33Å; V294-R296 PolarHBondContact O-N 3.34Å; V294-L297 PolarHBondContact O-N 3.48Å; V294-I298 HydrophobicContact CG1-CD1 3.75Å; V294-I298 HydrophobicContact CG1-CG1 4.45Å; V294-I298 WeakPolarHBondContact O-CG1 3.26Å; V294-I298 PolarHBondContact O-N 3.25Å; V294-F305 HydrophobicContact CG1-CZ 4.4Å
295	E	98.4	Very high	98.3	Very high	37 Å²	37	53.9 Å²	53.9	17%	0.173	25%	0.247	C	C	.	.	H	α-helix	trans	-59.8	-43.9	176.8	-168.2	173.5	156.2	0	0	111.9	L291 K292 E293 L297 I298 K299 F305 Y313	L291-E295 WeakPolarHBondContact O-CB 3.41Å; L291-E295 PolarHBondContact O-N 3.26Å; K292-E295 PolarHBondContact O-N 2.99Å; E293-E295 VanDerWaalsContact C-N 3.35Å; E293-E295 PolarHBondContact O-N 3.4Å; E295-L297 PolarHBondContact O-N 2.74Å; E295-I298 PolarHBondContact O-N 2.94Å; E295-K299 HydrophobicContact CG-CD 4.18Å; E295-K299 WeakPolarHBondContact O-CB 3.29Å; E295-K299 WeakPolarHBondContact O-CG 3.4Å; E295-K299 PolarHBondContact O-N 3.42Å; E295-K299 WeakPolarHBondContact OE1-CE 3.34Å; E295-K299 IonicContact OE1-NZ 3.37Å; E295-K299 PolarHBondContact OE1-NZ 3.35Å; E295-F305 HydrophobicContact CB-CD2 4.21Å; E295-F305 HydrophobicContact CB-CE2 3.61Å; E295-F305 HydrophobicContact CB-CZ 4.46Å; E295-F305 HydrophobicContact CG-CD2 3.67Å; E295-F305 HydrophobicContact CG-CE2 3.61Å; E295-Y313 PolarHBondContact OE2-OH 3.45Å
296	R	98.8	Very high	98.3	Very high	102 Å²	102	50.3 Å²	50.3	39%	0.385	23%	0.23	S	C	.	.	H	α-helix	trans	-57.8	-48.4	177.1	-167	-168	70.6	67.3	9.2	111.3	K292 E293 V294 K299 E300	K292-R296 WeakPolarHBondContact O-CB 3.28Å; K292-R296 PolarHBondContact O-N 3.27Å; E293-R296 VanDerWaalsContact CD-NE 3.33Å; E293-R296 WeakPolarHBondContact O-CB 3.02Å; E293-R296 PolarHBondContact O-N 3.49Å; E293-R296 IonicContact OE1-CZ 3.08Å; E293-R296 VanDerWaalsContact OE1-CZ 3.31Å; E293-R296 IonicContact OE1-NE 3.78Å; E293-R296 PolarHBondContact OE1-NE 3.43Å; E293-R296 VanDerWaalsContact OE1-NE 3.12Å; E293-R296 IonicContact OE1-NH2 2.73Å; E293-R296 PolarHBondContact OE1-NH2 2.72Å; E293-R296 IonicContact OE2-CZ 2.85Å; E293-R296 IonicContact OE2-NE 3.49Å; E293-R296 PolarHBondContact OE2-NE 3.46Å; V294-R296 VanDerWaalsContact C-N 3.33Å; V294-R296 PolarHBondContact O-N 3.34Å; R296-K299 PolarHBondContact O-N 2.97Å; R296-E300 IonicContact CZ-OE1 3.46Å; R296-E300 IonicContact NH1-OE1 2.78Å; R296-E300 PolarHBondContact NH1-OE1 3.32Å; R296-E300 IonicContact NH1-OE2 3.38Å; R296-E300 PolarHBondContact NH1-OE2 2.99Å; R296-E300 IonicContact NH2-OE2 2.91Å; R296-E300 WeakPolarHBondContact O-CG 3.25Å; R296-E300 PolarHBondContact O-N 2.91Å
297	L	98.6	Very high	98.3	Very high	14 Å²	14	54.5 Å²	54.5	7%	0.073	25%	0.246	C	C	.	.	H	α-helix	trans	-67.9	-32.9	-178.8	-71.4	162.9	0	0	0	113.2	A195 L199 E293 V294 E295	A195-L297 HydrophobicContact CB-CB 3.99Å; A195-L297 WeakPolarHBondContact O-CD1 3.29Å; L199-L297 HydrophobicContact CD2-CD1 3.8Å; L199-L297 HydrophobicContact CG-CD1 4.22Å; E293-L297 HydrophobicContact CG-CD1 4.02Å; E293-L297 WeakPolarHBondContact O-CD1 3.16Å; E293-L297 WeakPolarHBondContact O-CG 3.46Å; E293-L297 PolarHBondContact O-N 3.23Å; V294-L297 PolarHBondContact O-N 3.48Å; E295-L297 PolarHBondContact O-N 2.74Å
298	I	97.8	Very high	98.3	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-69.4	-44.7	173	-71.7	172.9	0	0	0	110.1	I171 A195 V294 E295 E300 R301 W303 F305	I171-I298 HydrophobicContact CD1-CD1 3.99Å; I171-I298 HydrophobicContact CD1-CG2 4.38Å; A195-I298 HydrophobicContact CB-CG1 3.59Å; V294-I298 HydrophobicContact CG1-CD1 3.75Å; V294-I298 HydrophobicContact CG1-CG1 4.45Å; V294-I298 WeakPolarHBondContact O-CG1 3.26Å; V294-I298 PolarHBondContact O-N 3.25Å; E295-I298 PolarHBondContact O-N 2.94Å; I298-E300 PolarHBondContact O-N 2.9Å; I298-R301 PolarHBondContact O-N 3.47Å; I298-R301 VanDerWaalsContact O-N 3.09Å; I298-W303 HydrophobicContact CG2-CB 3.47Å; I298-W303 VanDerWaalsContact CG2-CB 3.47Å; I298-W303 PolarHBondContact O-N 3.13Å; I298-F305 HydrophobicContact CD1-CE1 3.55Å; I298-F305 HydrophobicContact CD1-CZ 3.65Å
299	K	97.9	Very high	98.2	Very high	103 Å²	103	61 Å²	61	45%	0.448	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-37.2	177.3	-79.6	176.4	168.3	168.4	0	113.6	E295 R296 R301 G302 W303	E295-K299 HydrophobicContact CG-CD 4.18Å; E295-K299 WeakPolarHBondContact O-CB 3.29Å; E295-K299 WeakPolarHBondContact O-CG 3.4Å; E295-K299 PolarHBondContact O-N 3.42Å; E295-K299 WeakPolarHBondContact OE1-CE 3.34Å; E295-K299 IonicContact OE1-NZ 3.37Å; E295-K299 PolarHBondContact OE1-NZ 3.35Å; R296-K299 PolarHBondContact O-N 2.97Å; K299-R301 PolarHBondContact O-N 3.29Å; K299-G302 PolarHBondContact O-N 3.06Å; K299-W303 WeakPolarHBondContact CA-O 3Å
300	E	97.5	Very high	98.2	Very high	127 Å²	127	58.4 Å²	58.4	59%	0.593	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-21.6	174.1	-79.3	-176.5	153.4	0	0	113.4	R296 I298	R296-E300 IonicContact CZ-OE1 3.46Å; R296-E300 IonicContact NH1-OE1 2.78Å; R296-E300 PolarHBondContact NH1-OE1 3.32Å; R296-E300 IonicContact NH1-OE2 3.38Å; R296-E300 PolarHBondContact NH1-OE2 2.99Å; R296-E300 IonicContact NH2-OE2 2.91Å; R296-E300 WeakPolarHBondContact O-CG 3.25Å; R296-E300 PolarHBondContact O-N 2.91Å; I298-E300 PolarHBondContact O-N 2.9Å
301	R	95.1	Very high	98.2	Very high	149 Å²	149	58.4 Å²	58.4	56%	0.562	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	8.8	178.4	-63.5	-178.2	173.9	-100.6	-5.7	113.5	T194 I298 K299	T194-R301 VanDerWaalsContact CG2-NH1 3.3Å; I298-R301 PolarHBondContact O-N 3.47Å; I298-R301 VanDerWaalsContact O-N 3.09Å; K299-R301 PolarHBondContact O-N 3.29Å
302	G	97.9	Very high	98.2	Very high	59 Å²	59	58.4 Å²	58.4	61%	0.608	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	11.9	177.8	0	0	0	0	0	114.9	K299	K299-G302 PolarHBondContact O-N 3.06Å
303	W	98.7	Very high	98.2	Very high	67 Å²	67	54.1 Å²	54.1	25%	0.254	25%	0.248	S	C	.	.			trans	-99.4	153.3	176.4	-67.2	96.3	0	0	0	111.4	I171 L174 E187 V191 I298 K299	I171-W303 HydrophobicContact CG2-CB 4.38Å; I171-W303 HydrophobicContact CG2-CD2 4.05Å; I171-W303 HydrophobicContact CG2-CE3 3.45Å; I171-W303 VanDerWaalsContact CG2-CE3 3.45Å; I171-W303 HydrophobicContact CG2-CG 4.47Å; I171-W303 HydrophobicContact CG2-CZ3 4.05Å; L174-W303 HydrophobicContact CD1-CH2 4.06Å; L174-W303 HydrophobicContact CD1-CZ3 3.93Å; L174-W303 HydrophobicContact CD2-CH2 4.37Å; L174-W303 HydrophobicContact CG-CH2 4.24Å; L174-W303 HydrophobicContact CG-CZ3 3.96Å; E187-W303 HydrophobicContact CG-CH2 4.08Å; E187-W303 HydrophobicContact CG-CZ2 4.06Å; E187-W303 WeakPolarHBondContact OE1-CZ2 3.25Å; V191-W303 HydrophobicContact CG1-CB 4.32Å; V191-W303 HydrophobicContact CG1-CD2 4.33Å; V191-W303 HydrophobicContact CG1-CG 3.9Å; V191-W303 HydrophobicContact CG2-CD2 4.04Å; V191-W303 VanDerWaalsContact CG2-CE2 3.44Å; V191-W303 HydrophobicContact CG2-CG 4.3Å; V191-W303 HydrophobicContact CG2-CZ2 3.74Å; I298-W303 HydrophobicContact CG2-CB 3.47Å; I298-W303 VanDerWaalsContact CG2-CB 3.47Å; I298-W303 PolarHBondContact O-N 3.13Å; K299-W303 WeakPolarHBondContact CA-O 3Å
304	E	98.4	Very high	98.2	Very high	85 Å²	85	51.4 Å²	51.4	40%	0.397	24%	0.235	S	C	.	.			trans	-128	159.3	177.4	-61.8	-170.6	118.7	0	0	111	R172	R172-E304 HydrophobicContact CB-CB 4.33Å; R172-E304 WeakPolarHBondContact CB-O 3.33Å; R172-E304 PolarHBondContact N-O 3.47Å; R172-E304 IonicContact NH1-OE2 3.45Å
305	F	98.8	Very high	98.2	Very high	10 Å²	10	51.1 Å²	51.1	4%	0.044	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-82.1	144	165.4	-68.1	-40.3	0	0	0	111	R169 S170 I171 V294 E295 I298 W307 Y313	R169-F305 HydrophobicContact CB-CD1 3.7Å; R169-F305 HydrophobicContact CB-CD2 4.4Å; R169-F305 HydrophobicContact CB-CE1 3.54Å; R169-F305 HydrophobicContact CB-CE2 4.23Å; R169-F305 HydrophobicContact CB-CG 4.15Å; R169-F305 HydrophobicContact CB-CZ 3.82Å; R169-F305 HydrophobicContact CG-CD1 4.32Å; R169-F305 HydrophobicContact CG-CD2 4.13Å; R169-F305 HydrophobicContact CG-CE1 4.08Å; R169-F305 HydrophobicContact CG-CE2 3.85Å; R169-F305 HydrophobicContact CG-CG 4.36Å; R169-F305 HydrophobicContact CG-CZ 3.83Å; S170-F305 CarbonylContact O-C 3.55Å; S170-F305 VanDerWaalsContact O-CA 3.24Å; S170-F305 WeakPolarHBondContact O-CA 3.48Å; I171-F305 HydrophobicContact CD1-CD1 3.95Å; I171-F305 HydrophobicContact CD1-CE1 3.76Å; V294-F305 HydrophobicContact CG1-CZ 4.4Å; E295-F305 HydrophobicContact CB-CD2 4.21Å; E295-F305 HydrophobicContact CB-CE2 3.61Å; E295-F305 HydrophobicContact CB-CZ 4.46Å; E295-F305 HydrophobicContact CG-CD2 3.67Å; E295-F305 HydrophobicContact CG-CE2 3.61Å; I298-F305 HydrophobicContact CD1-CE1 3.55Å; I298-F305 HydrophobicContact CD1-CZ 3.65Å; F305-W307 PolarHBondContact O-N 3.26Å; F305-W307 VanDerWaalsContact O-N 3.15Å; F305-Y313 HydrophobicContact CB-CD1 4.31Å; F305-Y313 HydrophobicContact CB-CE1 4.13Å; F305-Y313 HydrophobicContact CD2-CE1 4.18Å
306	M	98.8	Very high	98.2	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	23%	0.226	C	C	.	.			trans	-64.9	112.3	170	-59.2	-179.6	176.4	0	0	109.5	E113 S170 I171 R172 L174 L176 V314	E113-M306 HydrophobicContact CB-CE 4.17Å; E113-M306 HydrophobicContact CB-CG 4.32Å; E113-M306 HydrophobicContact CB-SD 3.82Å; E113-M306 HydrophobicContact CG-CB 4.29Å; E113-M306 HydrophobicContact CG-CG 4.32Å; E113-M306 HydrophobicContact CG-SD 4.29Å; E113-M306 WeakPolarHBondContact OE1-CA 3.39Å; E113-M306 WeakPolarHBondContact OE1-CB 3.39Å; S170-M306 WeakPolarHBondContact CB-SD 3.48Å; S170-M306 PolarHBondContact O-N 3.37Å; I171-M306 VanDerWaalsContact O-CE 3.29Å; I171-M306 WeakPolarHBondContact O-CE 3.49Å; R172-M306 HydrophobicContact CB-CG 4.06Å; L174-M306 WeakPolarHBondContact O-CE 3.24Å; L176-M306 HydrophobicContact CD2-CE 4.09Å; L176-M306 HydrophobicContact CD2-SD 3.87Å; L176-M306 HydrophobicContact CG-CE 4.47Å; L176-M306 HydrophobicContact CG-SD 4.47Å; M306-V314 HydrophobicContact CB-CB 3.8Å; M306-V314 HydrophobicContact CB-CG1 4.49Å; M306-V314 PolarHBondContact O-N 2.89Å; M306-V314 HydrophobicContact SD-CG1 4.45Å
307	W	98.7	Very high	98.2	Very high	104 Å²	104	46.1 Å²	46.1	39%	0.394	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	142.3	-179.1	-179.1	98.2	0	0	0	110.7	E113 R172 F305 E309 G312 Y313	E113-W307 PolarHBondContact OE1-N 2.96Å; R172-W307 PolarHBondContact NH2-O 2.88Å; F305-W307 PolarHBondContact O-N 3.26Å; F305-W307 VanDerWaalsContact O-N 3.15Å; W307-E309 HydrophobicContact CH2-CB 4.31Å; W307-G312 VanDerWaalsContact CA-O 3.31Å; W307-G312 WeakPolarHBondContact CA-O 3.31Å; W307-Y313 HydrophobicContact CB-CD1 4.12Å; W307-Y313 HydrophobicContact CB-CE1 4.36Å; W307-Y313 AromaticContact CD1-CD1 3.79Å; W307-Y313 AromaticContact CD1-CD2 3.89Å; W307-Y313 AromaticContact CD1-CE1 3.94Å; W307-Y313 AromaticContact CD1-CG 3.79Å; W307-Y313 HydrophobicContact CG-CD1 4.35Å; W307-Y313 HydrophobicContact CG-CE1 4.46Å
308	N	98.4	Very high	98.2	Very high	40 Å²	40	45.4 Å²	45.4	21%	0.214	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	162.7	168.8	64.2	65	0	0	0	111.4	R310 L311 G312	N308-R310 VanDerWaalsContact C-N 3.31Å; N308-R310 PolarHBondContact O-N 3.36Å; N308-R310 WeakPolarHBondContact OD1-CG 3.35Å; N308-R310 PolarHBondContact OD1-N 3.04Å; N308-L311 PolarHBondContact O-N 2.86Å; N308-L311 WeakPolarHBondContact OD1-CB 3.41Å; N308-L311 PolarHBondContact OD1-N 2.8Å; N308-G312 PolarHBondContact N-O 3.41Å; N308-G312 VanDerWaalsContact O-CA 3.3Å; N308-G312 WeakPolarHBondContact O-CA 3.45Å; N308-G312 PolarHBondContact O-N 3.14Å
309	E	97.4	Very high	98.1	Very high	100 Å²	100	46 Å²	46	47%	0.467	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-28.4	-171.7	63.1	165.6	-150.5	0	0	114.7	K140 H141 W307	K140-E309 WeakPolarHBondContact CA-O 3.33Å; K140-E309 HydrophobicContact CD-CG 4.49Å; K140-E309 VanDerWaalsContact CE-CD 3.46Å; K140-E309 WeakPolarHBondContact CE-OE1 3.05Å; K140-E309 WeakPolarHBondContact CE-OE2 3.12Å; K140-E309 IonicContact NZ-OE1 2.84Å; K140-E309 PolarHBondContact NZ-OE1 3.45Å; K140-E309 IonicContact NZ-OE2 2.69Å; K140-E309 PolarHBondContact NZ-OE2 3.41Å; H141-E309 PolarHBondContact N-O 2.89Å; W307-E309 HydrophobicContact CH2-CB 4.31Å
310	R	97.6	Very high	98.1	Very high	56 Å²	56	41.7 Å²	41.7	21%	0.211	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-31.9	-176.8	59.3	159.6	-166.6	121	-1	112.4	Y116 D124 Y134 N308	Y116-R310 PolarHBondContact O-NH2 2.93Å; D124-R310 IonicContact OD1-NH1 2.72Å; D124-R310 PolarHBondContact OD1-NH1 3.44Å; Y134-R310 WeakPolarHBondContact CE1-O 3.14Å; Y134-R310 PolarHBondContact OH-O 3.49Å; N308-R310 VanDerWaalsContact C-N 3.31Å; N308-R310 PolarHBondContact O-N 3.36Å; N308-R310 WeakPolarHBondContact OD1-CG 3.35Å; N308-R310 PolarHBondContact OD1-N 3.04Å
311	L	98.4	Very high	98.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-11.2	-175.9	-60.4	-169.7	0	0	0	113.8	Y116 I127 P136 N308 V314 L321 G322 M376	Y116-L311 HydrophobicContact CD1-CD1 3.86Å; Y116-L311 HydrophobicContact CD2-CD1 4.39Å; Y116-L311 HydrophobicContact CG-CD1 3.73Å; I127-L311 HydrophobicContact CD1-CD2 3.93Å; P136-L311 HydrophobicContact CB-CD2 3.65Å; P136-L311 HydrophobicContact CG-CD2 4.46Å; N308-L311 PolarHBondContact O-N 2.86Å; N308-L311 WeakPolarHBondContact OD1-CB 3.41Å; N308-L311 PolarHBondContact OD1-N 2.8Å; L311-V314 HydrophobicContact CB-CG2 4.46Å; L311-L321 HydrophobicContact CB-CD2 4.45Å; L311-L321 HydrophobicContact CD1-CD1 4.29Å; L311-L321 HydrophobicContact CD1-CD2 4.45Å; L311-L321 HydrophobicContact CD2-CD1 4.25Å; L311-G322 WeakPolarHBondContact O-CA 3.38Å; L311-G322 PolarHBondContact O-N 3.28Å; L311-M376 HydrophobicContact CD2-CE 4.3Å
312	G	98.6	Very high	98.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.4	-140.3	-168.4	0	0	0	0	0	111.2	W307 N308	W307-G312 VanDerWaalsContact CA-O 3.31Å; W307-G312 WeakPolarHBondContact CA-O 3.31Å; N308-G312 PolarHBondContact N-O 3.41Å; N308-G312 VanDerWaalsContact O-CA 3.3Å; N308-G312 WeakPolarHBondContact O-CA 3.45Å; N308-G312 PolarHBondContact O-N 3.14Å
313	Y	98.8	Very high	98.3	Very high	15 Å²	15	25.7 Å²	25.7	6%	0.059	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	130	174.8	-69.8	-78.3	0	0	0	110.8	T143 R169 E295 F305 W307 G322	T143-Y313 HydrophobicContact CG2-CE2 3.98Å; R169-Y313 VanDerWaalsContact CD-CD1 3.47Å; R169-Y313 VanDerWaalsContact CZ-CD2 3.42Å; R169-Y313 VanDerWaalsContact CZ-CE2 3.44Å; R169-Y313 VanDerWaalsContact NE-CE1 3.35Å; R169-Y313 VanDerWaalsContact NH2-CD2 3.31Å; E295-Y313 PolarHBondContact OE2-OH 3.45Å; F305-Y313 HydrophobicContact CB-CD1 4.31Å; F305-Y313 HydrophobicContact CB-CE1 4.13Å; F305-Y313 HydrophobicContact CD2-CE1 4.18Å; W307-Y313 HydrophobicContact CB-CD1 4.12Å; W307-Y313 HydrophobicContact CB-CE1 4.36Å; W307-Y313 AromaticContact CD1-CD1 3.79Å; W307-Y313 AromaticContact CD1-CD2 3.89Å; W307-Y313 AromaticContact CD1-CE1 3.94Å; W307-Y313 AromaticContact CD1-CG 3.79Å; W307-Y313 HydrophobicContact CG-CD1 4.35Å; W307-Y313 HydrophobicContact CG-CE1 4.46Å; Y313-G322 PolarHBondContact N-O 3.36Å
314	V	98.8	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.105	C	C	.	.			trans	-90.2	128.8	-178.1	177.6	0	0	0	0	109.7	E113 Y116 S170 M306 L311 L321	E113-V314 HydrophobicContact CG-CG1 4.5Å; Y116-V314 HydrophobicContact CD2-CG1 3.58Å; Y116-V314 HydrophobicContact CE2-CG1 3.49Å; Y116-V314 VanDerWaalsContact CE2-CG1 3.49Å; S170-V314 WeakPolarHBondContact CB-O 3.34Å; S170-V314 PolarHBondContact OG-O 3.43Å; S170-V314 VanDerWaalsContact OG-O 3.12Å; M306-V314 HydrophobicContact CB-CB 3.8Å; M306-V314 HydrophobicContact CB-CG1 4.49Å; M306-V314 PolarHBondContact O-N 2.89Å; M306-V314 HydrophobicContact SD-CG1 4.45Å; L311-V314 HydrophobicContact CB-CG2 4.46Å; V314-L321 HydrophobicContact CG1-CD2 4.5Å
315	L	98.8	Very high	98.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.086	C	C	.	.			trans	-133.5	169.9	178.8	-70	-177.3	0	0	0	110.4	Y116 S170 D267 C317 N320	Y116-L315 WeakPolarHBondContact CE2-O 3.47Å; Y116-L315 PolarHBondContact OH-O 3.49Å; S170-L315 WeakPolarHBondContact OG-CD2 3.46Å; D267-L315 HydrophobicContact CB-CD2 4.17Å; L315-C317 PolarHBondContact O-N 3.1Å; L315-N320 HydrophobicContact CB-CB 4.19Å; L315-N320 HydrophobicContact CD1-CB 3.77Å; L315-N320 WeakPolarHBondContact CD1-O 2.92Å
316	T	98.8	Very high	98.2	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.012	9%	0.086	C	C	.	.	S	Bend	trans	-60.3	-48.7	-174.3	-50.1	0	0	0	0	113	V109 A110 P177 P178 M241 E266 D267	V109-T316 WeakPolarHBondContact CA-O 3.18Å; V109-T316 HydrophobicContact CB-CG2 4.15Å; V109-T316 HydrophobicContact CG1-CG2 4.33Å; A110-T316 PolarHBondContact N-O 3.24Å; P177-T316 WeakPolarHBondContact CD-OG1 3.49Å; P178-T316 HydrophobicContact CG-CG2 3.36Å; M241-T316 HydrophobicContact CE-CG2 4.11Å; M241-T316 HydrophobicContact SD-CG2 4.25Å; E266-T316 PolarHBondContact O-OG1 3.49Å; D267-T316 VanDerWaalsContact OD1-CB 3.25Å; D267-T316 WeakPolarHBondContact OD1-CB 3.44Å; D267-T316 PolarHBondContact OD1-N 2.54Å; D267-T316 PolarHBondContact OD1-OG1 2.87Å
317	C	98.3	Very high	98.2	Very high	31 Å²	31	18.6 Å²	18.6	21%	0.209	9%	0.086	C	C	.	.	S	Bend	trans	-94	130.5	-179.3	-176.3	0	0	0	0	110.4	L315 S319 N320	L315-C317 PolarHBondContact O-N 3.1Å; C317-S319 PolarHBondContact O-N 3.28Å; C317-S319 PolarHBondContact SG-OG 2.86Å; C317-N320 PolarHBondContact O-N 3.45Å
318	P	98.4	Very high	98.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-54.2	-27.3	176.1	-29.3	35.1	0	0	0	114	V106 M108 Y116 F123 I127 H131 N320 L321	V106-P318 HydrophobicContact CG1-CB 3.96Å; V106-P318 HydrophobicContact CG1-CG 3.84Å; M108-P318 HydrophobicContact CG-CG 4.25Å; M108-P318 VanDerWaalsContact O-CD 3.28Å; M108-P318 WeakPolarHBondContact O-CD 3.36Å; Y116-P318 HydrophobicContact CE1-CB 4.48Å; Y116-P318 HydrophobicContact CE1-CG 4.17Å; F123-P318 HydrophobicContact CD1-CG 3.83Å; F123-P318 HydrophobicContact CE1-CG 3.7Å; I127-P318 HydrophobicContact CG1-CB 4.19Å; H131-P318 PolarHBondContact NE2-O 3.47Å; P318-N320 PolarHBondContact O-N 3.07Å; P318-L321 HydrophobicContact CB-CD1 4.44Å; P318-L321 WeakPolarHBondContact O-CG 3.38Å; P318-L321 PolarHBondContact O-N 3.09Å
319	S	96.1	Very high	98.1	Very high	16 Å²	16	12.1 Å²	12.1	11%	0.112	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-67.2	-15	177.3	74.3	0	0	0	0	114.3	H131 C317 R375	H131-S319 PolarHBondContact CE1-O 3.16Å; C317-S319 PolarHBondContact O-N 3.28Å; C317-S319 PolarHBondContact SG-OG 2.86Å; S319-R375 VanDerWaalsContact O-CD 3.27Å; S319-R375 WeakPolarHBondContact O-CD 3.32Å; S319-R375 PolarHBondContact O-NH1 2.88Å
320	N	97.9	Very high	98.1	Very high	11 Å²	11	9.8 Å²	9.8	6%	0.059	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-108.2	9.9	-178.1	-62.4	-40.2	0	0	0	113.2	R270 L315 C317 P318 G324	R270-N320 PolarHBondContact NH2-ND2 2.86Å; L315-N320 HydrophobicContact CB-CB 4.19Å; L315-N320 HydrophobicContact CD1-CB 3.77Å; L315-N320 WeakPolarHBondContact CD1-O 2.92Å; C317-N320 PolarHBondContact O-N 3.45Å; P318-N320 PolarHBondContact O-N 3.07Å; N320-G324 WeakPolarHBondContact O-CA 3.38Å; N320-G324 PolarHBondContact O-N 3.14Å
321	L	98.5	Very high	98.1	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.04	C	C	.	.			trans	-64.3	171.4	171.9	-66.7	174.2	0	0	0	112.5	Y116 I127 L311 V314 P318 T323 M376	Y116-L321 HydrophobicContact CD1-CD1 4.29Å; Y116-L321 HydrophobicContact CE1-CD1 3.66Å; Y116-L321 HydrophobicContact CE1-CD2 4.16Å; Y116-L321 HydrophobicContact CE1-CG 4.31Å; Y116-L321 HydrophobicContact CE2-CD2 4.11Å; I127-L321 HydrophobicContact CD1-CD1 3.5Å; I127-L321 HydrophobicContact CG1-CD1 3.78Å; L311-L321 HydrophobicContact CB-CD2 4.45Å; L311-L321 HydrophobicContact CD1-CD1 4.29Å; L311-L321 HydrophobicContact CD1-CD2 4.45Å; L311-L321 HydrophobicContact CD2-CD1 4.25Å; V314-L321 HydrophobicContact CG1-CD2 4.5Å; P318-L321 HydrophobicContact CB-CD1 4.44Å; P318-L321 WeakPolarHBondContact O-CG 3.38Å; P318-L321 PolarHBondContact O-N 3.09Å; L321-T323 PolarHBondContact O-N 3.25Å; L321-M376 HydrophobicContact CB-CE 4.01Å; L321-M376 HydrophobicContact CB-CG 4.05Å; L321-M376 HydrophobicContact CB-SD 3.46Å; L321-M376 WeakPolarHBondContact CB-SD 3.39Å; L321-M376 HydrophobicContact CD1-SD 4.28Å; L321-M376 VanDerWaalsContact O-CG 3.31Å; L321-M376 WeakPolarHBondContact O-CG 2.95Å
322	G	98.3	Very high	98	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.056	C	C	.	.	B	Isolated β-bridge	trans	79.7	-107.9	-179.3	0	0	0	0	0	110.6	H141 L311 Y313	H141-G322 VanDerWaalsContact NE2-CA 3.35Å; H141-G322 WeakPolarHBondContact NE2-CA 3.45Å; L311-G322 WeakPolarHBondContact O-CA 3.38Å; L311-G322 PolarHBondContact O-N 3.28Å; Y313-G322 PolarHBondContact N-O 3.36Å
323	T	98.5	Very high	97.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-24.6	177.9	60.6	0	0	0	0	112.6	H141 T167 L321 L325 R375 R378 E380 L383	H141-T323 PolarHBondContact NE2-N 2.74Å; T167-T323 PolarHBondContact OG1-O 2.78Å; L321-T323 PolarHBondContact O-N 3.25Å; T323-L325 PolarHBondContact O-N 3.04Å; T323-L325 WeakPolarHBondContact OG1-CB 3.32Å; T323-L325 PolarHBondContact OG1-N 3.1Å; T323-R375 PolarHBondContact N-O 2.68Å; T323-R375 PolarHBondContact OG1-O 2.98Å; T323-R378 VanDerWaalsContact CG2-O 3.31Å; T323-R378 WeakPolarHBondContact CG2-O 3.47Å; T323-E380 HydrophobicContact CG2-CG 3.8Å; T323-L383 HydrophobicContact CG2-CD1 3.81Å; T323-L383 WeakPolarHBondContact OG1-CD1 3.39Å
324	G	97.5	Very high	97.8	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.01	7%	0.065	C	C	.	.			trans	56.5	9.3	-163	0	0	0	0	0	114.2	T167 N320	T167-G324 WeakPolarHBondContact CA-O 3.32Å; N320-G324 WeakPolarHBondContact O-CA 3.38Å; N320-G324 PolarHBondContact O-N 3.14Å
325	L	98.3	Very high	97.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.			trans	-83.4	136.3	-163.7	-174.9	146.6	0	0	0	111.1	V165 R166 F284 F287 T323 A327 N372 E380 L383 V384	V165-L325 HydrophobicContact CG1-CD1 3.9Å; V165-L325 HydrophobicContact CG1-CG 4.1Å; R166-L325 CarbonylContact O-C 3.54Å; R166-L325 VanDerWaalsContact O-CA 3.3Å; R166-L325 WeakPolarHBondContact O-CA 3.46Å; F284-L325 HydrophobicContact CE2-CD1 4.25Å; F287-L325 HydrophobicContact CE1-CD1 4.13Å; F287-L325 HydrophobicContact CZ-CD1 4.43Å; T323-L325 PolarHBondContact O-N 3.04Å; T323-L325 WeakPolarHBondContact OG1-CB 3.32Å; T323-L325 PolarHBondContact OG1-N 3.1Å; L325-A327 HydrophobicContact CD2-CB 3.78Å; L325-N372 PolarHBondContact O-ND2 3.06Å; L325-E380 HydrophobicContact CB-CG 4.45Å; L325-E380 HydrophobicContact CD1-CB 3.66Å; L325-E380 HydrophobicContact CD1-CG 3.68Å; L325-L383 HydrophobicContact CB-CD1 4.39Å; L325-L383 HydrophobicContact CD2-CB 4.02Å; L325-L383 HydrophobicContact CD2-CD1 4.36Å; L325-V384 HydrophobicContact CD1-CG2 4.35Å; L325-V384 HydrophobicContact CD2-CG2 4.31Å
326	R	97.9	Very high	97.7	Very high	14 Å²	14	17.6 Å²	17.6	5%	0.053	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	98.8	166.5	-173	179.9	173	-148	-17.1	108.6	R166 D369 S371 N372	R166-R326 HydrophobicContact CG-CB 3.78Å; R166-R326 PolarHBondContact N-O 3.31Å; R166-R326 PolarHBondContact O-N 3.02Å; R326-D369 IonicContact CZ-OD1 3.25Å; R326-D369 IonicContact CZ-OD2 2.76Å; R326-D369 IonicContact NH1-OD2 2.75Å; R326-D369 IonicContact NH2-OD1 2.68Å; R326-D369 PolarHBondContact NH2-OD1 3.49Å; R326-D369 IonicContact NH2-OD2 3.43Å; R326-D369 PolarHBondContact NH2-OD2 2.86Å; R326-S371 PolarHBondContact NE-OG 3.17Å; R326-S371 PolarHBondContact NH2-OG 3.2Å; R326-N372 WeakPolarHBondContact CA-OD1 3.45Å
327	A	98.2	Very high	97.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.1	167.7	0	0	0	0	0	108.8	R164 V165 L325 S371 N372 V384 V387	R164-A327 CarbonylContact O-C 3.55Å; R164-A327 WeakPolarHBondContact O-CA 3.25Å; V165-A327 HydrophobicContact CG1-CB 4.47Å; V165-A327 HydrophobicContact CG2-CB 3.94Å; L325-A327 HydrophobicContact CD2-CB 3.78Å; A327-S371 WeakPolarHBondContact O-CA 3.28Å; A327-S371 WeakPolarHBondContact O-CB 3.1Å; A327-N372 PolarHBondContact N-OD1 2.92Å; A327-N372 PolarHBondContact O-N 3.21Å; A327-N372 PolarHBondContact O-OD1 3.25Å; A327-N372 VanDerWaalsContact O-OD1 3.06Å; A327-V384 HydrophobicContact CB-CG2 3.93Å; A327-V387 HydrophobicContact CB-CB 4.5Å; A327-V387 HydrophobicContact CB-CG2 4.11Å; A327-V387 WeakPolarHBondContact O-CG2 3.43Å
328	G	97.4	Very high	97.4	Very high	6 Å²	6	24 Å²	24	6%	0.062	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	174.9	-178.3	0	0	0	0	0	114	R164 M280 I370	R164-G328 PolarHBondContact N-O 3.41Å; R164-G328 PolarHBondContact O-N 3.07Å; M280-G328 WeakPolarHBondContact CE-O 3.26Å; G328-I370 CarbonylContact C-O 3.57Å; G328-I370 WeakPolarHBondContact CA-O 3.34Å
329	V	97.8	Very high	97.4	Very high	3 Å²	3	25 Å²	25	2%	0.018	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.2	-177.4	-64.1	0	0	0	0	110.8	F155 V160 S162 M280 V331 D369 I370 V391	F155-V329 HydrophobicContact CD2-CG1 3.83Å; F155-V329 HydrophobicContact CE2-CG1 3.46Å; F155-V329 VanDerWaalsContact CE2-CG1 3.46Å; F155-V329 HydrophobicContact CZ-CG1 4.3Å; V160-V329 HydrophobicContact CG1-CB 3.92Å; V160-V329 HydrophobicContact CG1-CG1 3.89Å; S162-V329 CarbonylContact O-C 3.54Å; S162-V329 VanDerWaalsContact O-CA 3.23Å; S162-V329 WeakPolarHBondContact O-CA 3.26Å; M280-V329 HydrophobicContact CE-CG1 3.92Å; V329-V331 HydrophobicContact CG2-CB 4.01Å; V329-V331 HydrophobicContact CG2-CG1 4.12Å; V329-D369 WeakPolarHBondContact O-CA 3.45Å; V329-I370 HydrophobicContact CG2-CB 4.3Å; V329-I370 PolarHBondContact N-O 3.14Å; V329-I370 PolarHBondContact O-N 3.3Å; V329-V391 HydrophobicContact CG2-CB 4.47Å; V329-V391 HydrophobicContact CG2-CG1 3.91Å; V329-V391 HydrophobicContact CG2-CG2 3.63Å
330	H	96.5	Very high	97.4	Very high	51 Å²	51	30.1 Å²	30.1	24%	0.236	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.7	155.2	-75.1	171.2	0	0	0	108.6	V160 L161 S162 T356 V367 Y368	V160-H330 CarbonylContact C-O 3.55Å; V160-H330 WeakPolarHBondContact CA-O 3.33Å; L161-H330 HydrophobicContact CB-CB 4.2Å; L161-H330 PolarHBondContact N-O 2.58Å; S162-H330 PolarHBondContact O-N 2.62Å; H330-T356 PolarHBondContact CE1-O 2.96Å; H330-T356 VanDerWaalsContact CE1-O 3.3Å; H330-T356 PolarHBondContact NE2-O 3.45Å; H330-V367 HydrophobicContact CB-CG1 3.9Å; H330-Y368 WeakPolarHBondContact CA-O 3.43Å
331	V	97.3	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.3	-176.2	63.1	0	0	0	0	111.2	Y159 V160 V329 L333 Y368 I370 V395	Y159-V331 WeakPolarHBondContact O-CA 3.17Å; V160-V331 HydrophobicContact CG2-CB 4.27Å; V160-V331 HydrophobicContact CG2-CG2 4.01Å; V329-V331 HydrophobicContact CG2-CB 4.01Å; V329-V331 HydrophobicContact CG2-CG1 4.12Å; V331-L333 HydrophobicContact CG1-CD1 3.82Å; V331-L333 HydrophobicContact CG1-CG 4.07Å; V331-L333 HydrophobicContact CG2-CD2 4.1Å; V331-L333 HydrophobicContact CG2-CG 4.07Å; V331-Y368 PolarHBondContact N-O 3.09Å; V331-Y368 PolarHBondContact O-N 3.32Å; V331-I370 HydrophobicContact CG1-CB 4.24Å; V331-I370 HydrophobicContact CG1-CG1 3.54Å; V331-V395 HydrophobicContact CG2-CG2 4.15Å
332	K	97.1	Very high	97.4	Very high	79 Å²	79	33 Å²	33	34%	0.343	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120	173.8	-68.5	-180	-62.1	178.4	0	109.9	N158 Y159 L161 V367	N158-K332 WeakPolarHBondContact O-CE 3.43Å; N158-K332 PolarHBondContact O-NZ 3.3Å; Y159-K332 PolarHBondContact O-N 2.86Å; L161-K332 HydrophobicContact CD1-CG 4.22Å; L161-K332 HydrophobicContact CD2-CD 4.16Å; L161-K332 HydrophobicContact CD2-CG 4.41Å; L161-K332 HydrophobicContact CG-CG 4.4Å; K332-V367 HydrophobicContact CG-CG2 3.96Å
333	L	96.8	Very high	97.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.			trans	-135.3	57.8	-179.7	-63.8	173.2	0	0	0	111.8	V331 K335 L336 S337 F342 D366 Y368 L394 E398	V331-L333 HydrophobicContact CG1-CD1 3.82Å; V331-L333 HydrophobicContact CG1-CG 4.07Å; V331-L333 HydrophobicContact CG2-CD2 4.1Å; V331-L333 HydrophobicContact CG2-CG 4.07Å; L333-K335 VanDerWaalsContact C-N 3.3Å; L333-K335 PolarHBondContact O-N 3.21Å; L333-L336 HydrophobicContact CB-CB 4.36Å; L333-L336 HydrophobicContact CD1-CD2 4.39Å; L333-L336 HydrophobicContact CD2-CD2 4.31Å; L333-S337 WeakPolarHBondContact O-CB 3.44Å; L333-S337 PolarHBondContact O-N 3.32Å; L333-S337 PolarHBondContact O-OG 3.22Å; L333-F342 HydrophobicContact CD1-CE2 4.27Å; L333-F342 HydrophobicContact CD1-CZ 4.09Å; L333-D366 PolarHBondContact N-O 3.12Å; L333-D366 VanDerWaalsContact N-O 3.13Å; L333-Y368 HydrophobicContact CB-CD2 4.41Å; L333-L394 HydrophobicContact CD1-CB 4.35Å; L333-L394 HydrophobicContact CD1-CD1 4.33Å; L333-L394 HydrophobicContact CD2-CB 4.38Å; L333-E398 WeakPolarHBondContact CA-OE2 3.5Å; L333-E398 HydrophobicContact CD2-CB 3.82Å; L333-E398 HydrophobicContact CD2-CG 4.19Å
334	P	96.8	Very high	97.2	Very high	40 Å²	40	41.2 Å²	41.2	26%	0.26	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.6	-171.6	26.4	-35.9	0	0	0	115.1	K338 D366 E398	P334-K338 WeakPolarHBondContact O-CD 3.46Å; P334-K338 WeakPolarHBondContact O-CE 3.46Å; P334-K338 PolarHBondContact O-NZ 2.81Å; P334-D366 HydrophobicContact CB-CB 3.93Å; P334-D366 WeakPolarHBondContact CB-OD2 3.41Å; P334-E398 WeakPolarHBondContact CD-OE1 3.23Å; P334-E398 VanDerWaalsContact CG-OE1 3.27Å; P334-E398 WeakPolarHBondContact CG-OE1 3.1Å
335	K	97.8	Very high	97.2	Very high	115 Å²	115	41.1 Å²	41.1	50%	0.5	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-52.7	175.1	-59.8	-67.4	-174.8	173.2	0	111.2	L333 S337 K338 D339 E398 L401 E402	L333-K335 VanDerWaalsContact C-N 3.3Å; L333-K335 PolarHBondContact O-N 3.21Å; K335-S337 VanDerWaalsContact C-N 3.26Å; K335-S337 PolarHBondContact O-N 2.97Å; K335-K338 PolarHBondContact O-N 2.61Å; K335-K338 VanDerWaalsContact O-N 3.08Å; K335-D339 PolarHBondContact O-N 3.34Å; K335-E398 VanDerWaalsContact CB-OE1 3.26Å; K335-E398 WeakPolarHBondContact CB-OE1 3.22Å; K335-E398 WeakPolarHBondContact CG-OE1 3.27Å; K335-E398 PolarHBondContact N-OE1 3.04Å; K335-E398 PolarHBondContact N-OE2 3.29Å; K335-L401 HydrophobicContact CB-CB 3.71Å; K335-L401 HydrophobicContact CB-CD1 3.99Å; K335-L401 HydrophobicContact CG-CB 4.33Å; K335-E402 HydrophobicContact CG-CG 4.3Å
336	L	97.7	Very high	97.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-61.7	-35.6	-175.4	-179.2	60.8	0	0	0	111.8	L333 K338 D339 F342 I345 L394 C397 E398 L401 I407	L333-L336 HydrophobicContact CB-CB 4.36Å; L333-L336 HydrophobicContact CD1-CD2 4.39Å; L333-L336 HydrophobicContact CD2-CD2 4.31Å; L336-K338 PolarHBondContact O-N 3.47Å; L336-K338 VanDerWaalsContact O-N 3.13Å; L336-D339 HydrophobicContact CD1-CB 4.37Å; L336-D339 WeakPolarHBondContact O-CB 3.43Å; L336-D339 PolarHBondContact O-N 3.24Å; L336-F342 HydrophobicContact CD1-CB 4.42Å; L336-F342 HydrophobicContact CD1-CD2 4.31Å; L336-F342 HydrophobicContact CD2-CD2 4.01Å; L336-F342 HydrophobicContact CD2-CE2 4.1Å; L336-F342 HydrophobicContact CG-CB 4.47Å; L336-F342 HydrophobicContact CG-CD2 3.76Å; L336-F342 HydrophobicContact CG-CE2 4.2Å; L336-F342 HydrophobicContact CG-CG 4.23Å; L336-F342 WeakPolarHBondContact O-CB 3.42Å; L336-I345 HydrophobicContact CD1-CD1 4.1Å; L336-L394 HydrophobicContact CD2-CB 4.16Å; L336-L394 HydrophobicContact CD2-CD2 3.7Å; L336-C397 HydrophobicContact CD1-CB 4.16Å; L336-C397 HydrophobicContact CD2-CB 3.91Å; L336-E398 WeakPolarHBondContact CB-OE2 3.32Å; L336-E398 PolarHBondContact N-OE2 2.93Å; L336-L401 HydrophobicContact CB-CD1 4.03Å; L336-L401 HydrophobicContact CD1-CD1 4.15Å; L336-I407 HydrophobicContact CD1-CD1 3.51Å
337	S	95	Very high	97	Very high	24 Å²	24	45.8 Å²	45.8	17%	0.168	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-62.9	-19.8	178.5	61.1	0	0	0	0	114.9	L333 K335 Y368	L333-S337 WeakPolarHBondContact O-CB 3.44Å; L333-S337 PolarHBondContact O-N 3.32Å; L333-S337 PolarHBondContact O-OG 3.22Å; K335-S337 VanDerWaalsContact C-N 3.26Å; K335-S337 PolarHBondContact O-N 2.97Å; S337-Y368 VanDerWaalsContact CB-OH 3.26Å; S337-Y368 WeakPolarHBondContact CB-OH 3.46Å
338	K	95.6	Very high	96.9	Very high	144 Å²	144	46.3 Å²	46.3	63%	0.626	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-95.8	-10.4	177.3	-63.2	168	-173.9	139.5	0	112.4	P334 K335 L336 D366	P334-K338 WeakPolarHBondContact O-CD 3.46Å; P334-K338 WeakPolarHBondContact O-CE 3.46Å; P334-K338 PolarHBondContact O-NZ 2.81Å; K335-K338 PolarHBondContact O-N 2.61Å; K335-K338 VanDerWaalsContact O-N 3.08Å; L336-K338 PolarHBondContact O-N 3.47Å; L336-K338 VanDerWaalsContact O-N 3.13Å; K338-D366 IonicContact NZ-OD2 2.78Å
339	D	97.7	Very high	96.9	Very high	22 Å²	22	46.8 Å²	46.8	12%	0.118	23%	0.234	C	C	.	.	S	Bend	trans	-75.9	129.8	179	-168.2	-62.6	0	0	0	110.2	K335 L336 R341 F342	K335-D339 PolarHBondContact O-N 3.34Å; L336-D339 HydrophobicContact CD1-CB 4.37Å; L336-D339 WeakPolarHBondContact O-CB 3.43Å; L336-D339 PolarHBondContact O-N 3.24Å; D339-R341 PolarHBondContact O-N 2.87Å; D339-R341 WeakPolarHBondContact OD1-CB 3.33Å; D339-R341 WeakPolarHBondContact OD1-CG 3.29Å; D339-R341 IonicContact OD1-CZ 3.31Å; D339-R341 PolarHBondContact OD1-N 2.96Å; D339-R341 IonicContact OD1-NE 2.6Å; D339-R341 PolarHBondContact OD1-NE 2.58Å; D339-R341 IonicContact OD1-NH2 3.87Å; D339-R341 IonicContact OD2-CZ 3.44Å; D339-R341 IonicContact OD2-NE 3.73Å; D339-R341 PolarHBondContact OD2-NE 3.48Å; D339-R341 IonicContact OD2-NH2 2.72Å; D339-R341 PolarHBondContact OD2-NH2 2.89Å; D339-F342 WeakPolarHBondContact O-CB 3.33Å; D339-F342 PolarHBondContact O-N 2.93Å
340	P	97.5	Very high	96.7	Very high	122 Å²	122	47.8 Å²	47.8	79%	0.792	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-17.3	-178.4	27	-36.2	0	0	0	113.5	P343	P340-P343 WeakPolarHBondContact O-CD 3.21Å
341	R	98	Very high	96.6	Very high	69 Å²	69	45.6 Å²	45.6	26%	0.26	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-14.8	178.3	-59.6	169.7	-73.8	-165.8	-5.9	112.8	D339 K344 I345 D406 I407 V409	D339-R341 PolarHBondContact O-N 2.87Å; D339-R341 WeakPolarHBondContact OD1-CB 3.33Å; D339-R341 WeakPolarHBondContact OD1-CG 3.29Å; D339-R341 IonicContact OD1-CZ 3.31Å; D339-R341 PolarHBondContact OD1-N 2.96Å; D339-R341 IonicContact OD1-NE 2.6Å; D339-R341 PolarHBondContact OD1-NE 2.58Å; D339-R341 IonicContact OD1-NH2 3.87Å; D339-R341 IonicContact OD2-CZ 3.44Å; D339-R341 IonicContact OD2-NE 3.73Å; D339-R341 PolarHBondContact OD2-NE 3.48Å; D339-R341 IonicContact OD2-NH2 2.72Å; D339-R341 PolarHBondContact OD2-NH2 2.89Å; R341-K344 PolarHBondContact O-N 3.49Å; R341-I345 HydrophobicContact CB-CD1 4.2Å; R341-I345 WeakPolarHBondContact O-CG1 3.32Å; R341-I345 PolarHBondContact O-N 2.75Å; R341-D406 IonicContact CZ-OD1 3.54Å; R341-D406 IonicContact NH1-OD1 3.61Å; R341-D406 PolarHBondContact NH1-OD1 3.1Å; R341-D406 IonicContact NH1-OD2 2.73Å; R341-D406 IonicContact NH2-OD1 3.52Å; R341-D406 PolarHBondContact NH2-OD1 3.2Å; R341-D406 VanDerWaalsContact NH2-OD1 3.08Å; R341-I407 VanDerWaalsContact CZ-CG1 3.5Å; R341-I407 PolarHBondContact NH1-O 3.46Å; R341-I407 VanDerWaalsContact NH2-CG1 3.32Å; R341-V409 HydrophobicContact CB-CG2 3.99Å; R341-V409 HydrophobicContact CG-CG2 4.24Å
342	F	97.4	Very high	96.4	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-55.5	-44.4	-174.5	-179.6	-139.9	0	0	0	114.3	L333 L336 D339 K344 I345 L346 K353 I370 L394	L333-F342 HydrophobicContact CD1-CE2 4.27Å; L333-F342 HydrophobicContact CD1-CZ 4.09Å; L336-F342 HydrophobicContact CD1-CB 4.42Å; L336-F342 HydrophobicContact CD1-CD2 4.31Å; L336-F342 HydrophobicContact CD2-CD2 4.01Å; L336-F342 HydrophobicContact CD2-CE2 4.1Å; L336-F342 HydrophobicContact CG-CB 4.47Å; L336-F342 HydrophobicContact CG-CD2 3.76Å; L336-F342 HydrophobicContact CG-CE2 4.2Å; L336-F342 HydrophobicContact CG-CG 4.23Å; L336-F342 WeakPolarHBondContact O-CB 3.42Å; D339-F342 WeakPolarHBondContact O-CB 3.33Å; D339-F342 PolarHBondContact O-N 2.93Å; F342-K344 VanDerWaalsContact C-N 3.3Å; F342-K344 PolarHBondContact O-N 3.07Å; F342-I345 PolarHBondContact O-N 3.31Å; F342-L346 HydrophobicContact CD1-CD1 4.49Å; F342-L346 HydrophobicContact CD2-CD1 4.13Å; F342-L346 HydrophobicContact CD2-CG 3.97Å; F342-L346 HydrophobicContact CE1-CD1 4.11Å; F342-L346 HydrophobicContact CE2-CD1 3.7Å; F342-L346 HydrophobicContact CE2-CD2 3.78Å; F342-L346 HydrophobicContact CE2-CG 3.64Å; F342-L346 HydrophobicContact CZ-CD1 3.7Å; F342-L346 HydrophobicContact CZ-CD2 4.28Å; F342-L346 HydrophobicContact CZ-CG 4.16Å; F342-L346 WeakPolarHBondContact O-CG 3.36Å; F342-L346 PolarHBondContact O-N 2.81Å; F342-K353 HydrophobicContact CD1-CD 4.41Å; F342-K353 HydrophobicContact CE1-CD 3.72Å; F342-K353 HydrophobicContact CZ-CD 4.28Å; F342-I370 HydrophobicContact CZ-CD1 4.36Å; F342-L394 HydrophobicContact CD2-CD2 4.43Å; F342-L394 HydrophobicContact CE2-CD2 4.02Å
343	P	95.8	Very high	96.1	Very high	81 Å²	81	48.1 Å²	48.1	53%	0.526	24%	0.239	S	C	.	.	H	α-helix	trans	-58.2	-41.4	175.5	-24.8	35.6	0	0	0	112.9	P340 L346 E347	P340-P343 WeakPolarHBondContact O-CD 3.21Å; P343-L346 PolarHBondContact O-N 2.67Å; P343-E347 WeakPolarHBondContact O-CB 3.48Å; P343-E347 PolarHBondContact O-N 2.89Å
344	K	96.8	Very high	95.6	Very high	90 Å²	90	50.2 Å²	50.2	39%	0.391	25%	0.247	S	C	.	.	H	α-helix	trans	-72.5	-33.8	-179.4	-168.2	55.7	171.2	178.1	0	112.5	R341 F342 E347 N348 V409	R341-K344 PolarHBondContact O-N 3.49Å; F342-K344 VanDerWaalsContact C-N 3.3Å; F342-K344 PolarHBondContact O-N 3.07Å; K344-E347 HydrophobicContact CD-CB 4.46Å; K344-E347 WeakPolarHBondContact CD-OE2 3.25Å; K344-E347 IonicContact NZ-OE1 3.53Å; K344-E347 PolarHBondContact NZ-OE1 3.31Å; K344-E347 IonicContact NZ-OE2 2.68Å; K344-E347 PolarHBondContact NZ-OE2 3.48Å; K344-E347 PolarHBondContact O-N 3.12Å; K344-N348 WeakPolarHBondContact CE-OD1 3.33Å; K344-N348 WeakPolarHBondContact O-CB 3.09Å; K344-N348 PolarHBondContact O-N 2.93Å; K344-V409 HydrophobicContact CB-CG1 4.41Å; K344-V409 HydrophobicContact CG-CG1 3.85Å
345	I	98.3	Very high	94.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-49.2	172	-68.1	167	0	0	0	110	L336 R341 F342 E347 N348 L349 Y393 L394 I407 V409 P410	L336-I345 HydrophobicContact CD1-CD1 4.1Å; R341-I345 HydrophobicContact CB-CD1 4.2Å; R341-I345 WeakPolarHBondContact O-CG1 3.32Å; R341-I345 PolarHBondContact O-N 2.75Å; F342-I345 PolarHBondContact O-N 3.31Å; I345-E347 PolarHBondContact O-N 3.33Å; I345-N348 PolarHBondContact O-N 2.88Å; I345-L349 HydrophobicContact CG2-CD1 3.68Å; I345-L349 HydrophobicContact CG2-CG 4.43Å; I345-L349 WeakPolarHBondContact O-CB 3.49Å; I345-L349 VanDerWaalsContact O-CG 3.26Å; I345-L349 WeakPolarHBondContact O-CG 3.3Å; I345-L349 PolarHBondContact O-N 3.38Å; I345-Y393 HydrophobicContact CG2-CD1 4.16Å; I345-Y393 HydrophobicContact CG2-CE1 4.04Å; I345-L394 HydrophobicContact CG2-CD2 3.69Å; I345-I407 HydrophobicContact CD1-CD1 3.94Å; I345-V409 HydrophobicContact CG1-CG1 4.5Å; I345-V409 HydrophobicContact CG1-CG2 4.23Å; I345-P410 HydrophobicContact CG2-CG 4.41Å
346	L	96.7	Very high	93.7	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-45.1	177.9	-69.6	174.4	0	0	0	112.3	F342 P343 N348 L349 R350 L351 K353 I370 L394	F342-L346 HydrophobicContact CD1-CD1 4.49Å; F342-L346 HydrophobicContact CD2-CD1 4.13Å; F342-L346 HydrophobicContact CD2-CG 3.97Å; F342-L346 HydrophobicContact CE1-CD1 4.11Å; F342-L346 HydrophobicContact CE2-CD1 3.7Å; F342-L346 HydrophobicContact CE2-CD2 3.78Å; F342-L346 HydrophobicContact CE2-CG 3.64Å; F342-L346 HydrophobicContact CZ-CD1 3.7Å; F342-L346 HydrophobicContact CZ-CD2 4.28Å; F342-L346 HydrophobicContact CZ-CG 4.16Å; F342-L346 WeakPolarHBondContact O-CG 3.36Å; F342-L346 PolarHBondContact O-N 2.81Å; P343-L346 PolarHBondContact O-N 2.67Å; L346-N348 PolarHBondContact O-N 3.05Å; L346-L349 CarbonylContact O-C 3.53Å; L346-L349 PolarHBondContact O-N 3.42Å; L346-R350 PolarHBondContact O-N 3.47Å; L346-L351 HydrophobicContact CD2-CB 3.82Å; L346-L351 HydrophobicContact CD2-CD1 4.38Å; L346-L351 PolarHBondContact O-N 2.97Å; L346-K353 HydrophobicContact CD1-CB 3.93Å; L346-K353 HydrophobicContact CD1-CD 3.77Å; L346-K353 HydrophobicContact CD1-CG 3.97Å; L346-I370 HydrophobicContact CD2-CD1 4.18Å; L346-L394 HydrophobicContact CD2-CD1 3.95Å; L346-L394 HydrophobicContact CD2-CD2 4.32Å
347	E	94.3	Very high	92.2	Very high	103 Å²	103	47.9 Å²	47.9	48%	0.481	26%	0.257	S	S	.	.	H	α-helix	trans	-57.2	-49.8	177.8	-171.9	-162.3	145.7	0	0	111.5	P343 K344 I345 L349 R350	P343-E347 WeakPolarHBondContact O-CB 3.48Å; P343-E347 PolarHBondContact O-N 2.89Å; K344-E347 HydrophobicContact CD-CB 4.46Å; K344-E347 WeakPolarHBondContact CD-OE2 3.25Å; K344-E347 IonicContact NZ-OE1 3.53Å; K344-E347 PolarHBondContact NZ-OE1 3.31Å; K344-E347 IonicContact NZ-OE2 2.68Å; K344-E347 PolarHBondContact NZ-OE2 3.48Å; K344-E347 PolarHBondContact O-N 3.12Å; I345-E347 PolarHBondContact O-N 3.33Å; E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 3.22Å; E347-R350 PolarHBondContact O-N 3.27Å; E347-R350 VanDerWaalsContact O-N 3.13Å
348	N	96.5	Very high	90.8	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.064	26%	0.255	C	S	.	.	H	α-helix	trans	-68.1	-32.8	-178.1	-74.8	9.1	0	0	0	112.4	K344 I345 L346 R350 V409 P410 P412 L413	K344-N348 WeakPolarHBondContact CE-OD1 3.33Å; K344-N348 WeakPolarHBondContact O-CB 3.09Å; K344-N348 PolarHBondContact O-N 2.93Å; I345-N348 PolarHBondContact O-N 2.88Å; L346-N348 PolarHBondContact O-N 3.05Å; N348-R350 VanDerWaalsContact C-N 3.27Å; N348-R350 PolarHBondContact O-N 3.49Å; N348-V409 WeakPolarHBondContact ND2-CG1 3.42Å; N348-P410 HydrophobicContact CB-CG 4.4Å; N348-P410 WeakPolarHBondContact CB-O 3.46Å; N348-P410 PolarHBondContact ND2-O 3.43Å; N348-P412 HydrophobicContact CB-CB 4.35Å; N348-L413 PolarHBondContact O-N 2.81Å
349	L	96.7	Very high	89.2	Confident	15 Å²	15	43 Å²	43	8%	0.079	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-0.5	174.9	-66.4	175.1	0	0	0	113.7	I345 L346 E347 L351 I386 Y393 L394 P410	I345-L349 HydrophobicContact CG2-CD1 3.68Å; I345-L349 HydrophobicContact CG2-CG 4.43Å; I345-L349 WeakPolarHBondContact O-CB 3.49Å; I345-L349 VanDerWaalsContact O-CG 3.26Å; I345-L349 WeakPolarHBondContact O-CG 3.3Å; I345-L349 PolarHBondContact O-N 3.38Å; L346-L349 CarbonylContact O-C 3.53Å; L346-L349 PolarHBondContact O-N 3.42Å; E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 3.22Å; L349-L351 VanDerWaalsContact C-N 3.26Å; L349-L351 HydrophobicContact CB-CD1 4.1Å; L349-L351 HydrophobicContact CB-CG 4.04Å; L349-L351 HydrophobicContact CD1-CD1 4.4Å; L349-L351 PolarHBondContact O-N 3.32Å; L349-I386 WeakPolarHBondContact O-CG2 3.28Å; L349-Y393 HydrophobicContact CD1-CD1 3.81Å; L349-Y393 HydrophobicContact CD1-CG 4.31Å; L349-L394 HydrophobicContact CD1-CD2 4.26Å; L349-P410 HydrophobicContact CD1-CG 4.31Å; L349-P410 HydrophobicContact CD2-CB 4.23Å; L349-P410 HydrophobicContact CD2-CG 3.77Å; L349-P410 HydrophobicContact CG-CG 3.79Å
350	R	94.4	Very high	87.3	Confident	24 Å²	24	46 Å²	46	9%	0.091	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	38.3	-176.8	-51.9	-61.1	-58	164.8	-1.5	112.9	L346 E347 N348 L373 D374 I386 L413	L346-R350 PolarHBondContact O-N 3.47Å; E347-R350 PolarHBondContact O-N 3.27Å; E347-R350 VanDerWaalsContact O-N 3.13Å; N348-R350 VanDerWaalsContact C-N 3.27Å; N348-R350 PolarHBondContact O-N 3.49Å; R350-L373 VanDerWaalsContact O-CB 3.24Å; R350-L373 WeakPolarHBondContact O-CB 3.4Å; R350-L373 PolarHBondContact O-N 2.99Å; R350-D374 IonicContact CZ-OD1 3.62Å; R350-D374 IonicContact CZ-OD2 2.78Å; R350-D374 IonicContact NE-OD1 2.61Å; R350-D374 IonicContact NE-OD2 3.96Å; R350-D374 PolarHBondContact NE-OD2 2.89Å; R350-D374 IonicContact NH2-OD1 3.81Å; R350-D374 PolarHBondContact NH2-OD1 3.2Å; R350-D374 IonicContact NH2-OD2 3.01Å; R350-D374 PolarHBondContact NH2-OD2 3.11Å; R350-I386 HydrophobicContact CB-CG2 4.42Å; R350-L413 HydrophobicContact CG-CB 3.97Å; R350-L413 HydrophobicContact CG-CD1 4.18Å
351	L	95.6	Very high	85.5	Confident	5 Å²	5	43 Å²	43	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	154.3	176.6	-61.8	179.2	0	0	0	111	L346 L349 I370 S371 I386 V387 L394	L346-L351 HydrophobicContact CD2-CB 3.82Å; L346-L351 HydrophobicContact CD2-CD1 4.38Å; L346-L351 PolarHBondContact O-N 2.97Å; L349-L351 VanDerWaalsContact C-N 3.26Å; L349-L351 HydrophobicContact CB-CD1 4.1Å; L349-L351 HydrophobicContact CB-CG 4.04Å; L349-L351 HydrophobicContact CD1-CD1 4.4Å; L349-L351 PolarHBondContact O-N 3.32Å; L351-I370 HydrophobicContact CB-CG2 4.22Å; L351-I370 HydrophobicContact CD1-CG2 3.83Å; L351-I370 HydrophobicContact CG-CG2 4.42Å; L351-S371 CarbonylContact C-O 3.6Å; L351-S371 WeakPolarHBondContact CA-O 3.19Å; L351-I386 HydrophobicContact CD2-CG2 4.33Å; L351-V387 HydrophobicContact CD2-CG2 4.21Å; L351-L394 HydrophobicContact CD1-CD1 4.01Å
352	Q	92.2	Very high	84	Confident	27 Å²	27	43.4 Å²	43.4	13%	0.126	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.7	171	69.9	-171.9	-31.7	0	0	110.1	I370 S371 N372 L373	Q352-I370 WeakPolarHBondContact O-CA 3.44Å; Q352-S371 WeakPolarHBondContact CG-OG 3.47Å; Q352-S371 PolarHBondContact N-O 3.04Å; Q352-S371 PolarHBondContact NE2-OG 3.37Å; Q352-S371 PolarHBondContact O-N 2.77Å; Q352-S371 VanDerWaalsContact O-N 3.09Å; Q352-N372 PolarHBondContact NE2-O 3.04Å; Q352-L373 HydrophobicContact CB-CD1 4.11Å
353	K	90.8	Very high	82.7	Confident	106 Å²	106	45.1 Å²	45.1	46%	0.461	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.5	172.8	72.4	-178.1	-179	81.9	0	111.5	F342 L346 Y368 D369 I370	F342-K353 HydrophobicContact CD1-CD 4.41Å; F342-K353 HydrophobicContact CE1-CD 3.72Å; F342-K353 HydrophobicContact CZ-CD 4.28Å; L346-K353 HydrophobicContact CD1-CB 3.93Å; L346-K353 HydrophobicContact CD1-CD 3.77Å; L346-K353 HydrophobicContact CD1-CG 3.97Å; K353-Y368 HydrophobicContact CB-CD1 4.46Å; K353-Y368 HydrophobicContact CD-CD1 4.32Å; K353-Y368 HydrophobicContact CD-CE1 4.42Å; K353-D369 CarbonylContact C-O 3.53Å; K353-D369 WeakPolarHBondContact CA-O 3.42Å; K353-I370 HydrophobicContact CB-CD1 3.55Å
354	R	86.7	Confident	81.8	Confident	43 Å²	43	46 Å²	46	16%	0.162	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	168.7	168.5	-62.8	-175.8	-176.8	-166.5	-6.2	109.8	D369	R354-D369 HydrophobicContact CB-CB 4.2Å; R354-D369 PolarHBondContact N-O 3.05Å; R354-D369 PolarHBondContact O-N 3.21Å
355	G	78.2	Confident	81	Confident	7 Å²	7	45.8 Å²	45.8	7%	0.072	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-69.2	171.5	169.9	0	0	0	0	0	112.4	G357 G358 T361 A362	G355-G357 VanDerWaalsContact C-N 3.28Å; G355-G357 PolarHBondContact O-N 2.98Å; G355-G358 PolarHBondContact O-N 3.04Å; G355-T361 WeakPolarHBondContact CA-O 3.16Å; G355-T361 PolarHBondContact N-O 2.86Å; G355-A362 VanDerWaalsContact CA-C 3.46Å; G355-A362 WeakPolarHBondContact CA-O 3.36Å
356	T	75.3	Confident	80.4	Confident	35 Å²	35	48.4 Å²	48.4	22%	0.215	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-27.5	-168.3	-41.7	0	0	0	0	113.2	H330 A362 V364 V367	H330-T356 PolarHBondContact CE1-O 2.96Å; H330-T356 VanDerWaalsContact CE1-O 3.3Å; H330-T356 PolarHBondContact NE2-O 3.45Å; T356-A362 PolarHBondContact N-O 3.3Å; T356-V364 PolarHBondContact OG1-N 3.27Å; T356-V367 HydrophobicContact CG2-CB 4.22Å; T356-V367 HydrophobicContact CG2-CG1 3.96Å; T356-V367 PolarHBondContact OG1-O 3.49Å
357	G	67.8	Low	80.1	Confident	65 Å²	65	48.8 Å²	48.8	67%	0.67	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	8.2	175.5	0	0	0	0	0	114.2	G355 T361	G355-G357 VanDerWaalsContact C-N 3.28Å; G355-G357 PolarHBondContact O-N 2.98Å; G357-T361 VanDerWaalsContact C-OG1 3.24Å; G357-T361 VanDerWaalsContact CA-OG1 3.25Å; G357-T361 WeakPolarHBondContact CA-OG1 3.48Å; G357-T361 PolarHBondContact N-OG1 2.83Å
358	G	65.4	Low	80	Confident	13 Å²	13	45.4 Å²	45.4	13%	0.134	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	105.5	-152.6	180	0	0	0	0	0	114.4	G355 D360 T361	G355-G358 PolarHBondContact O-N 3.04Å; G358-D360 VanDerWaalsContact C-N 3.33Å; G358-D360 PolarHBondContact O-N 2.79Å; G358-T361 PolarHBondContact N-OG1 3.27Å; G358-T361 VanDerWaalsContact N-OG1 3.1Å; G358-T361 PolarHBondContact O-N 3.04Å; G358-T361 PolarHBondContact O-OG1 3.31Å; G358-T361 VanDerWaalsContact O-OG1 3.06Å
359	V	60.3	Low	79.9	Confident	51 Å²	51	45.7 Å²	45.7	31%	0.309	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-28.5	-161.3	69.1	0	0	0	0	115.2	I103	I103-V359 HydrophobicContact CD1-CG2 4.07Å
360	D	58	Low	79.9	Confident	85 Å²	85	45 Å²	45	46%	0.455	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	14.7	-175.1	-58.4	-38.2	0	0	0	112.6	H100 G358	H100-D360 IonicContact CE1-OD1 3.69Å; H100-D360 PolarHBondContact CE1-OD1 3.06Å; H100-D360 IonicContact NE2-OD1 3.73Å; H100-D360 PolarHBondContact NE2-OD1 3.29Å; G358-D360 VanDerWaalsContact C-N 3.33Å; G358-D360 PolarHBondContact O-N 2.79Å
361	T	60.9	Low	80	Confident	59 Å²	59	43.8 Å²	43.8	36%	0.362	28%	0.281	S	S	.	.			trans	-117.3	153.3	-176.6	68.1	0	0	0	0	111.9	G355 G357 G358	G355-T361 WeakPolarHBondContact CA-O 3.16Å; G355-T361 PolarHBondContact N-O 2.86Å; G357-T361 VanDerWaalsContact C-OG1 3.24Å; G357-T361 VanDerWaalsContact CA-OG1 3.25Å; G357-T361 WeakPolarHBondContact CA-OG1 3.48Å; G357-T361 PolarHBondContact N-OG1 2.83Å; G358-T361 PolarHBondContact N-OG1 3.27Å; G358-T361 VanDerWaalsContact N-OG1 3.1Å; G358-T361 PolarHBondContact O-N 3.04Å; G358-T361 PolarHBondContact O-OG1 3.31Å; G358-T361 VanDerWaalsContact O-OG1 3.06Å
362	A	66.1	Low	80	Confident	79 Å²	79	43.6 Å²	43.6	65%	0.653	28%	0.28	S	S	*	.			trans	-78.9	162.1	168.9	0	0	0	0	0	111.2	G355 T356	G355-A362 VanDerWaalsContact CA-C 3.46Å; G355-A362 WeakPolarHBondContact CA-O 3.36Å; T356-A362 PolarHBondContact N-O 3.3Å
363	A	70.1	Confident	80	Confident	40 Å²	40	44.5 Å²	44.5	33%	0.331	29%	0.285	S	S	.	.			trans	-70.1	134.1	169.4	0	0	0	0	0	109.7	Y368	A363-Y368 HydrophobicContact CB-CD1 3.98Å; A363-Y368 HydrophobicContact CB-CE1 3.64Å; A363-Y368 HydrophobicContact CB-CE2 4.45Å
364	V	77.8	Confident	80.1	Confident	98 Å²	98	39.8 Å²	39.8	59%	0.594	27%	0.265	S	S	*	.	B	Isolated β-bridge	trans	-108.8	130.2	176.1	-177.6	0	0	0	0	108.1	T356 D366 V367	T356-V364 PolarHBondContact OG1-N 3.27Å; V364-D366 VanDerWaalsContact C-N 3.32Å; V364-D366 PolarHBondContact O-N 3.16Å; V364-V367 WeakPolarHBondContact O-CB 3.45Å; V364-V367 PolarHBondContact O-N 3.2Å; V364-V367 VanDerWaalsContact O-N 3.09Å
365	A	78.4	Confident	80.5	Confident	87 Å²	87	38.1 Å²	38.1	72%	0.719	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	42.5	176.2	0	0	0	0	0	114.6	V367	A365-V367 PolarHBondContact O-N 3.1Å; A365-V367 VanDerWaalsContact O-N 3.09Å
366	D	86.3	Confident	81.3	Confident	55 Å²	55	37.9 Å²	37.9	29%	0.294	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	19.3	-179.3	-59.7	-40.8	0	0	0	114.8	L333 P334 K338 V364 Y368	L333-D366 PolarHBondContact N-O 3.12Å; L333-D366 VanDerWaalsContact N-O 3.13Å; P334-D366 HydrophobicContact CB-CB 3.93Å; P334-D366 WeakPolarHBondContact CB-OD2 3.41Å; K338-D366 IonicContact NZ-OD2 2.78Å; V364-D366 VanDerWaalsContact C-N 3.32Å; V364-D366 PolarHBondContact O-N 3.16Å; D366-Y368 WeakPolarHBondContact O-CD2 3.43Å
367	V	90.6	Very high	82.2	Confident	15 Å²	15	36.9 Å²	36.9	9%	0.091	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.1	174.1	-177.5	0	0	0	0	110.1	L161 H330 K332 T356 V364 A365	L161-V367 HydrophobicContact CD1-CG1 3.94Å; L161-V367 HydrophobicContact CD1-CG2 3.8Å; H330-V367 HydrophobicContact CB-CG1 3.9Å; K332-V367 HydrophobicContact CG-CG2 3.96Å; T356-V367 HydrophobicContact CG2-CB 4.22Å; T356-V367 HydrophobicContact CG2-CG1 3.96Å; T356-V367 PolarHBondContact OG1-O 3.49Å; V364-V367 WeakPolarHBondContact O-CB 3.45Å; V364-V367 PolarHBondContact O-N 3.2Å; V364-V367 VanDerWaalsContact O-N 3.09Å; A365-V367 PolarHBondContact O-N 3.1Å; A365-V367 VanDerWaalsContact O-N 3.09Å
368	Y	91.8	Very high	83.5	Confident	33 Å²	33	34.8 Å²	34.8	13%	0.129	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141.6	179.2	-66.9	-90.9	0	0	0	111.4	H330 V331 L333 S337 K353 A363 D366 I370	H330-Y368 WeakPolarHBondContact CA-O 3.43Å; V331-Y368 PolarHBondContact N-O 3.09Å; V331-Y368 PolarHBondContact O-N 3.32Å; L333-Y368 HydrophobicContact CB-CD2 4.41Å; S337-Y368 VanDerWaalsContact CB-OH 3.26Å; S337-Y368 WeakPolarHBondContact CB-OH 3.46Å; K353-Y368 HydrophobicContact CB-CD1 4.46Å; K353-Y368 HydrophobicContact CD-CD1 4.32Å; K353-Y368 HydrophobicContact CD-CE1 4.42Å; A363-Y368 HydrophobicContact CB-CD1 3.98Å; A363-Y368 HydrophobicContact CB-CE1 3.64Å; A363-Y368 HydrophobicContact CB-CE2 4.45Å; D366-Y368 WeakPolarHBondContact O-CD2 3.43Å; Y368-I370 PolarHBondContact O-N 3.25Å
369	D	93.7	Very high	85	Confident	17 Å²	17	34.6 Å²	34.6	9%	0.091	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	104.8	163.2	176.1	-14.4	0	0	0	108.2	R326 V329 K353 R354	R326-D369 IonicContact CZ-OD1 3.25Å; R326-D369 IonicContact CZ-OD2 2.76Å; R326-D369 IonicContact NH1-OD2 2.75Å; R326-D369 IonicContact NH2-OD1 2.68Å; R326-D369 PolarHBondContact NH2-OD1 3.49Å; R326-D369 IonicContact NH2-OD2 3.43Å; R326-D369 PolarHBondContact NH2-OD2 2.86Å; V329-D369 WeakPolarHBondContact O-CA 3.45Å; K353-D369 CarbonylContact C-O 3.53Å; K353-D369 WeakPolarHBondContact CA-O 3.42Å; R354-D369 HydrophobicContact CB-CB 4.2Å; R354-D369 PolarHBondContact N-O 3.05Å; R354-D369 PolarHBondContact O-N 3.21Å
370	I	96.9	Very high	86.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.6	177.8	-58.7	-58.6	0	0	0	109	G328 V329 V331 F342 L346 L351 Q352 K353 Y368 V391 L394	G328-I370 CarbonylContact C-O 3.57Å; G328-I370 WeakPolarHBondContact CA-O 3.34Å; V329-I370 HydrophobicContact CG2-CB 4.3Å; V329-I370 PolarHBondContact N-O 3.14Å; V329-I370 PolarHBondContact O-N 3.3Å; V331-I370 HydrophobicContact CG1-CB 4.24Å; V331-I370 HydrophobicContact CG1-CG1 3.54Å; F342-I370 HydrophobicContact CZ-CD1 4.36Å; L346-I370 HydrophobicContact CD2-CD1 4.18Å; L351-I370 HydrophobicContact CB-CG2 4.22Å; L351-I370 HydrophobicContact CD1-CG2 3.83Å; L351-I370 HydrophobicContact CG-CG2 4.42Å; Q352-I370 WeakPolarHBondContact O-CA 3.44Å; K353-I370 HydrophobicContact CB-CD1 3.55Å; Y368-I370 PolarHBondContact O-N 3.25Å; I370-V391 HydrophobicContact CG2-CG2 4.28Å; I370-L394 HydrophobicContact CG1-CD1 4.32Å; I370-L394 HydrophobicContact CG2-CD1 3.92Å
371	S	97.2	Very high	88.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	166.6	-179.6	52.6	0	0	0	0	112.7	R326 A327 L351 Q352	R326-S371 PolarHBondContact NE-OG 3.17Å; R326-S371 PolarHBondContact NH2-OG 3.2Å; A327-S371 WeakPolarHBondContact O-CA 3.28Å; A327-S371 WeakPolarHBondContact O-CB 3.1Å; L351-S371 CarbonylContact C-O 3.6Å; L351-S371 WeakPolarHBondContact CA-O 3.19Å; Q352-S371 WeakPolarHBondContact CG-OG 3.47Å; Q352-S371 PolarHBondContact N-O 3.04Å; Q352-S371 PolarHBondContact NE2-OG 3.37Å; Q352-S371 PolarHBondContact O-N 2.77Å; Q352-S371 VanDerWaalsContact O-N 3.09Å
372	N	96.3	Very high	90.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	140.6	171.5	58.7	-66.4	0	0	0	111.4	L325 R326 A327 Q352 D374 L383 V387	L325-N372 PolarHBondContact O-ND2 3.06Å; R326-N372 WeakPolarHBondContact CA-OD1 3.45Å; A327-N372 PolarHBondContact N-OD1 2.92Å; A327-N372 PolarHBondContact O-N 3.21Å; A327-N372 PolarHBondContact O-OD1 3.25Å; A327-N372 VanDerWaalsContact O-OD1 3.06Å; Q352-N372 PolarHBondContact NE2-O 3.04Å; N372-D374 PolarHBondContact ND2-O 2.74Å; N372-L383 HydrophobicContact CB-CD2 4.45Å; N372-V387 HydrophobicContact CB-CG2 3.72Å
373	L	91.4	Very high	92.1	Very high	45 Å²	45	24.6 Å²	24.6	24%	0.236	15%	0.151	C	C	.	.	S	Bend	trans	-82.5	-42.9	174.7	178.8	62.7	0	0	0	111.7	R350 Q352	R350-L373 VanDerWaalsContact O-CB 3.24Å; R350-L373 WeakPolarHBondContact O-CB 3.4Å; R350-L373 PolarHBondContact O-N 2.99Å; Q352-L373 HydrophobicContact CB-CD1 4.11Å
374	D	92.1	Very high	93.4	Very high	7 Å²	7	22.7 Å²	22.7	4%	0.037	14%	0.135	C	C	.	.			trans	-81.3	146.3	-175	-64.6	-51.7	0	0	0	112.3	R350 N372 L383 Q415	R350-D374 IonicContact CZ-OD1 3.62Å; R350-D374 IonicContact CZ-OD2 2.78Å; R350-D374 IonicContact NE-OD1 2.61Å; R350-D374 IonicContact NE-OD2 3.96Å; R350-D374 PolarHBondContact NE-OD2 2.89Å; R350-D374 IonicContact NH2-OD1 3.81Å; R350-D374 PolarHBondContact NH2-OD1 3.2Å; R350-D374 IonicContact NH2-OD2 3.01Å; R350-D374 PolarHBondContact NH2-OD2 3.11Å; N372-D374 PolarHBondContact ND2-O 2.74Å; D374-L383 HydrophobicContact CB-CD2 3.93Å; D374-L383 WeakPolarHBondContact O-CD2 3.37Å; D374-Q415 PolarHBondContact OD1-NE2 2.62Å
375	R	95.4	Very high	94.4	Very high	8 Å²	8	20.6 Å²	20.6	3%	0.03	12%	0.119	C	C	.	.			trans	-130.6	-19.2	173.7	-53.1	-163.6	-172.6	91.1	2.3	114	S319 T323	S319-R375 VanDerWaalsContact O-CD 3.27Å; S319-R375 WeakPolarHBondContact O-CD 3.32Å; S319-R375 PolarHBondContact O-NH1 2.88Å; T323-R375 PolarHBondContact N-O 2.68Å; T323-R375 PolarHBondContact OG1-O 2.98Å
376	M	95.4	Very high	95.3	Very high	2 Å²	2	17 Å²	17	1%	0.01	9%	0.088	C	C	.	.	S	Bend	trans	-116.9	160.2	174.6	-64.7	-167	82.4	0	0	111.2	I127 H131 Y134 L311 L321 R378	I127-M376 HydrophobicContact CG2-SD 3.84Å; H131-M376 HydrophobicContact CB-CB 4.13Å; H131-M376 VanDerWaalsContact CD2-SD 3.54Å; Y134-M376 HydrophobicContact CD1-CB 4.21Å; Y134-M376 HydrophobicContact CD1-CE 3.7Å; Y134-M376 HydrophobicContact CD1-SD 4.02Å; Y134-M376 HydrophobicContact CD2-CB 4.38Å; Y134-M376 HydrophobicContact CE1-CE 3.28Å; Y134-M376 HydrophobicContact CE1-SD 4.23Å; Y134-M376 HydrophobicContact CG-CB 4.08Å; L311-M376 HydrophobicContact CD2-CE 4.3Å; L321-M376 HydrophobicContact CB-CE 4.01Å; L321-M376 HydrophobicContact CB-CG 4.05Å; L321-M376 HydrophobicContact CB-SD 3.46Å; L321-M376 WeakPolarHBondContact CB-SD 3.39Å; L321-M376 HydrophobicContact CD1-SD 4.28Å; L321-M376 VanDerWaalsContact O-CG 3.31Å; L321-M376 WeakPolarHBondContact O-CG 2.95Å; M376-R378 PolarHBondContact O-N 3.23Å
377	G	93.6	Very high	95.9	Very high	15 Å²	15	14.3 Å²	14.3	16%	0.155	7%	0.074	C	C	.	.	S	Bend	trans	74.8	1.8	179.3	0	0	0	0	0	116	G417	G377-G417 PolarHBondContact O-N 2.95Å
378	R	95.5	Very high	96.3	Very high	21 Å²	21	13.8 Å²	13.8	8%	0.079	7%	0.07	C	C	.	.	S	Bend	trans	-143.6	141.9	174.2	-71.4	171.3	171.3	-99.6	9.3	109	H141 T323 M376 E382 L383 I386 P414 Q415	H141-R378 PolarHBondContact CE1-O 3.32Å; H141-R378 VanDerWaalsContact CE1-O 3.29Å; T323-R378 VanDerWaalsContact CG2-O 3.31Å; T323-R378 WeakPolarHBondContact CG2-O 3.47Å; M376-R378 PolarHBondContact O-N 3.23Å; R378-E382 WeakPolarHBondContact CA-OE2 3.49Å; R378-E382 HydrophobicContact CB-CB 4.21Å; R378-L383 HydrophobicContact CB-CD2 3.82Å; R378-L383 HydrophobicContact CB-CG 3.99Å; R378-I386 VanDerWaalsContact CZ-CD1 3.48Å; R378-P414 PolarHBondContact NH2-O 2.67Å; R378-Q415 PolarHBondContact NE-O 3.19Å
379	S	97.8	Very high	96.6	Very high	8 Å²	8	16.6 Å²	16.6	6%	0.056	9%	0.087	C	C	.	.			trans	-73	168	177.8	65.8	0	0	0	0	112.6	H142 V381 E382 L383	H142-S379 WeakPolarHBondContact O-CA 3.31Å; H142-S379 WeakPolarHBondContact O-CB 3.5Å; S379-V381 PolarHBondContact O-N 3.43Å; S379-E382 PolarHBondContact N-OE2 3.4Å; S379-E382 PolarHBondContact O-N 3.31Å; S379-E382 WeakPolarHBondContact OG-CG 3.4Å; S379-E382 PolarHBondContact OG-N 3.11Å; S379-E382 PolarHBondContact OG-OE2 3.18Å; S379-E382 VanDerWaalsContact OG-OE2 3.14Å; S379-L383 WeakPolarHBondContact O-CG 3.3Å; S379-L383 PolarHBondContact O-N 2.87Å
380	E	98.6	Very high	96.8	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-59.4	-43.9	178.3	-65.6	85.2	167	0	0	112.3	T143 D144 L145 F284 T323 L325 L383 V384	T143-E380 WeakPolarHBondContact CA-OE2 3.37Å; D144-E380 PolarHBondContact N-OE2 3.3Å; D144-E380 WeakPolarHBondContact O-CB 2.95Å; L145-E380 HydrophobicContact CD2-CB 3.92Å; L145-E380 HydrophobicContact CD2-CG 3.72Å; F284-E380 HydrophobicContact CE2-CB 4.34Å; F284-E380 HydrophobicContact CZ-CB 4.16Å; T323-E380 HydrophobicContact CG2-CG 3.8Å; L325-E380 HydrophobicContact CB-CG 4.45Å; L325-E380 HydrophobicContact CD1-CB 3.66Å; L325-E380 HydrophobicContact CD1-CG 3.68Å; E380-L383 PolarHBondContact O-N 3.26Å; E380-V384 WeakPolarHBondContact O-CG2 3.4Å; E380-V384 PolarHBondContact O-N 3.46Å
381	V	98.5	Very high	96.9	Very high	14 Å²	14	15.8 Å²	15.8	9%	0.085	8%	0.083	C	C	.	.	H	α-helix	trans	-58.3	-48.8	174.1	165.4	0	0	0	0	111.3	D144 D146 K149 I150 F284 S379 L383 V384 Q385	D144-V381 HydrophobicContact CB-CB 4.41Å; D144-V381 HydrophobicContact CB-CG2 4.32Å; D144-V381 WeakPolarHBondContact O-CG2 3.42Å; D144-V381 PolarHBondContact O-N 3.33Å; D146-V381 VanDerWaalsContact O-CG2 3.27Å; D146-V381 WeakPolarHBondContact O-CG2 3.27Å; K149-V381 HydrophobicContact CB-CG1 3.74Å; K149-V381 HydrophobicContact CB-CG2 4.37Å; K149-V381 HydrophobicContact CD-CG1 4.22Å; K149-V381 HydrophobicContact CD-CG2 4.44Å; I150-V381 HydrophobicContact CD1-CG1 4.07Å; F284-V381 HydrophobicContact CE1-CG2 3.94Å; F284-V381 HydrophobicContact CZ-CG2 4.18Å; S379-V381 PolarHBondContact O-N 3.43Å; V381-L383 VanDerWaalsContact C-N 3.33Å; V381-L383 PolarHBondContact O-N 3.09Å; V381-V384 PolarHBondContact O-N 2.92Å; V381-Q385 PolarHBondContact O-N 3.46Å
382	E	97.9	Very high	97	Very high	49 Å²	49	19 Å²	19	23%	0.229	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-40.8	179.6	-72.6	175.5	118.4	0	0	112	R378 S379 Q385 I386 G417 R418	R378-E382 WeakPolarHBondContact CA-OE2 3.49Å; R378-E382 HydrophobicContact CB-CB 4.21Å; S379-E382 PolarHBondContact N-OE2 3.4Å; S379-E382 PolarHBondContact O-N 3.31Å; S379-E382 WeakPolarHBondContact OG-CG 3.4Å; S379-E382 PolarHBondContact OG-N 3.11Å; S379-E382 PolarHBondContact OG-OE2 3.18Å; S379-E382 VanDerWaalsContact OG-OE2 3.14Å; E382-Q385 PolarHBondContact O-N 3.16Å; E382-I386 VanDerWaalsContact O-CG1 3.3Å; E382-I386 WeakPolarHBondContact O-CG1 3.31Å; E382-I386 PolarHBondContact O-N 3.38Å; E382-G417 WeakPolarHBondContact OE1-CA 3.36Å; E382-R418 PolarHBondContact OE1-N 2.98Å
383	L	98.1	Very high	97.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.8	-40.6	178.7	-70.3	176.9	0	0	0	112.1	T323 L325 N372 D374 R378 S379 E380 V381 I386 V387	T323-L383 HydrophobicContact CG2-CD1 3.81Å; T323-L383 WeakPolarHBondContact OG1-CD1 3.39Å; L325-L383 HydrophobicContact CB-CD1 4.39Å; L325-L383 HydrophobicContact CD2-CB 4.02Å; L325-L383 HydrophobicContact CD2-CD1 4.36Å; N372-L383 HydrophobicContact CB-CD2 4.45Å; D374-L383 HydrophobicContact CB-CD2 3.93Å; D374-L383 WeakPolarHBondContact O-CD2 3.37Å; R378-L383 HydrophobicContact CB-CD2 3.82Å; R378-L383 HydrophobicContact CB-CG 3.99Å; S379-L383 WeakPolarHBondContact O-CG 3.3Å; S379-L383 PolarHBondContact O-N 2.87Å; E380-L383 PolarHBondContact O-N 3.26Å; V381-L383 VanDerWaalsContact C-N 3.33Å; V381-L383 PolarHBondContact O-N 3.09Å; L383-I386 HydrophobicContact CD2-CD1 4.16Å; L383-I386 PolarHBondContact O-N 3.46Å; L383-V387 WeakPolarHBondContact O-CG2 3.38Å; L383-V387 PolarHBondContact O-N 3.33Å
384	V	98.6	Very high	97.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.5	-40.7	175.1	171.2	0	0	0	0	110.8	I150 M280 F284 L325 A327 E380 V381 I386 V387 I388	I150-V384 HydrophobicContact CD1-CB 4.32Å; I150-V384 HydrophobicContact CD1-CG1 4.07Å; I150-V384 HydrophobicContact CG1-CG1 4.18Å; M280-V384 HydrophobicContact CG-CG1 4.11Å; F284-V384 HydrophobicContact CB-CG1 4.4Å; F284-V384 HydrophobicContact CD1-CG1 4.27Å; F284-V384 HydrophobicContact CD1-CG2 4.45Å; F284-V384 HydrophobicContact CD2-CG2 3.65Å; F284-V384 HydrophobicContact CE1-CG2 4.43Å; F284-V384 HydrophobicContact CE2-CG2 3.64Å; F284-V384 HydrophobicContact CG-CG1 4.18Å; F284-V384 HydrophobicContact CG-CG2 4.07Å; F284-V384 HydrophobicContact CZ-CG2 4.04Å; L325-V384 HydrophobicContact CD1-CG2 4.35Å; L325-V384 HydrophobicContact CD2-CG2 4.31Å; A327-V384 HydrophobicContact CB-CG2 3.93Å; E380-V384 WeakPolarHBondContact O-CG2 3.4Å; E380-V384 PolarHBondContact O-N 3.46Å; V381-V384 PolarHBondContact O-N 2.92Å; V384-I386 PolarHBondContact O-N 3.34Å; V384-V387 PolarHBondContact O-N 2.78Å; V384-V387 VanDerWaalsContact O-N 3.17Å; V384-I388 HydrophobicContact CG1-CD1 3.81Å; V384-I388 HydrophobicContact CG1-CG1 4.43Å; V384-I388 WeakPolarHBondContact O-CG1 3.37Å; V384-I388 PolarHBondContact O-N 2.8Å
385	Q	98.5	Very high	97.8	Very high	55 Å²	55	19.6 Å²	19.6	26%	0.257	10%	0.1	S	C	.	.	H	α-helix	trans	-62.4	-41.2	176.3	-169.3	61.9	54.2	0	0	112.2	I150 V381 E382 V387 I388 D389	I150-Q385 HydrophobicContact CD1-CB 4.2Å; V381-Q385 PolarHBondContact O-N 3.46Å; E382-Q385 PolarHBondContact O-N 3.16Å; Q385-V387 VanDerWaalsContact C-N 3.28Å; Q385-V387 PolarHBondContact O-N 3.36Å; Q385-I388 PolarHBondContact O-N 3.04Å; Q385-I388 VanDerWaalsContact O-N 3.15Å; Q385-D389 PolarHBondContact NE2-OD1 3.12Å; Q385-D389 VanDerWaalsContact O-CG 3.31Å; Q385-D389 PolarHBondContact O-N 3.35Å
386	I	97.8	Very high	97.9	Very high	10 Å²	10	22.1 Å²	22.1	5%	0.051	11%	0.114	C	C	.	.	H	α-helix	trans	-56.7	-43.9	173.4	-70.9	161.2	0	0	0	111.3	L349 R350 L351 R378 E382 L383 V384 I388 G390 L413	L349-I386 WeakPolarHBondContact O-CG2 3.28Å; R350-I386 HydrophobicContact CB-CG2 4.42Å; L351-I386 HydrophobicContact CD2-CG2 4.33Å; R378-I386 VanDerWaalsContact CZ-CD1 3.48Å; E382-I386 VanDerWaalsContact O-CG1 3.3Å; E382-I386 WeakPolarHBondContact O-CG1 3.31Å; E382-I386 PolarHBondContact O-N 3.38Å; L383-I386 HydrophobicContact CD2-CD1 4.16Å; L383-I386 PolarHBondContact O-N 3.46Å; V384-I386 PolarHBondContact O-N 3.34Å; I386-I388 VanDerWaalsContact C-N 3.34Å; I386-G390 PolarHBondContact O-N 3.48Å; I386-L413 HydrophobicContact CG1-CD1 4.45Å; I386-L413 HydrophobicContact CG2-CD1 4.29Å
387	V	98.6	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.2	-42.3	178.6	174.6	0	0	0	0	110.3	M280 A327 L351 N372 L383 V384 Q385 V391	M280-V387 HydrophobicContact CE-CG1 4.42Å; A327-V387 HydrophobicContact CB-CB 4.5Å; A327-V387 HydrophobicContact CB-CG2 4.11Å; A327-V387 WeakPolarHBondContact O-CG2 3.43Å; L351-V387 HydrophobicContact CD2-CG2 4.21Å; N372-V387 HydrophobicContact CB-CG2 3.72Å; L383-V387 WeakPolarHBondContact O-CG2 3.38Å; L383-V387 PolarHBondContact O-N 3.33Å; V384-V387 PolarHBondContact O-N 2.78Å; V384-V387 VanDerWaalsContact O-N 3.17Å; Q385-V387 VanDerWaalsContact C-N 3.28Å; Q385-V387 PolarHBondContact O-N 3.36Å; V387-V391 HydrophobicContact CG1-CG2 3.98Å; V387-V391 WeakPolarHBondContact O-CB 3.15Å; V387-V391 WeakPolarHBondContact O-CG2 3.44Å; V387-V391 PolarHBondContact O-N 3.01Å
388	I	98.8	Very high	98.3	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-59.6	-53.2	177.3	-68.9	165.2	0	0	0	110.7	I150 F155 M280 V384 Q385 I386 G390 N392	I150-I388 HydrophobicContact CG2-CD1 3.61Å; F155-I388 HydrophobicContact CE1-CB 4.39Å; F155-I388 HydrophobicContact CE1-CG1 4.43Å; F155-I388 HydrophobicContact CE1-CG2 4.38Å; F155-I388 HydrophobicContact CZ-CB 4.4Å; F155-I388 HydrophobicContact CZ-CG1 4.03Å; M280-I388 HydrophobicContact CB-CG1 4.36Å; M280-I388 HydrophobicContact CG-CD1 4.2Å; M280-I388 HydrophobicContact CG-CG1 3.99Å; V384-I388 HydrophobicContact CG1-CD1 3.81Å; V384-I388 HydrophobicContact CG1-CG1 4.43Å; V384-I388 WeakPolarHBondContact O-CG1 3.37Å; V384-I388 PolarHBondContact O-N 2.8Å; Q385-I388 PolarHBondContact O-N 3.04Å; Q385-I388 VanDerWaalsContact O-N 3.15Å; I386-I388 VanDerWaalsContact C-N 3.34Å; I388-G390 PolarHBondContact O-N 3.42Å; I388-N392 WeakPolarHBondContact O-CB 3.28Å; I388-N392 VanDerWaalsContact O-CG 3.28Å; I388-N392 PolarHBondContact O-N 3.39Å; I388-N392 VanDerWaalsContact O-N 3.09Å; I388-N392 PolarHBondContact O-ND2 3.05Å; I388-N392 VanDerWaalsContact O-ND2 3.11Å
389	D	98.6	Very high	98.5	Very high	91 Å²	91	23.1 Å²	23.1	49%	0.487	12%	0.115	S	C	.	.	H	α-helix	trans	-64.5	-45.2	-177.9	-63.5	-15.6	0	0	0	111.4	Q385 N392 Y393	Q385-D389 PolarHBondContact NE2-OD1 3.12Å; Q385-D389 VanDerWaalsContact O-CG 3.31Å; Q385-D389 PolarHBondContact O-N 3.35Å; D389-N392 PolarHBondContact O-N 3.16Å; D389-Y393 PolarHBondContact O-N 2.97Å
390	G	98.4	Very high	98.5	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-67.4	-44.7	-178	0	0	0	0	0	112.7	I386 I388 N392 Y393 L394	I386-G390 PolarHBondContact O-N 3.48Å; I388-G390 PolarHBondContact O-N 3.42Å; G390-N392 PolarHBondContact O-N 2.89Å; G390-Y393 WeakPolarHBondContact O-CB 3.44Å; G390-Y393 PolarHBondContact O-N 3.39Å; G390-L394 WeakPolarHBondContact O-CG 3.22Å; G390-L394 PolarHBondContact O-N 2.92Å
391	V	98.6	Very high	98.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.6	-41	177.1	170.5	0	0	0	0	111	F155 V160 V329 I370 V387 Y393 L394 V395	F155-V391 HydrophobicContact CD1-CB 4.26Å; F155-V391 HydrophobicContact CD1-CG1 3.76Å; F155-V391 HydrophobicContact CE1-CB 3.67Å; F155-V391 HydrophobicContact CE1-CG1 3.67Å; F155-V391 HydrophobicContact CE2-CG1 4.4Å; F155-V391 HydrophobicContact CG-CG1 4.19Å; F155-V391 HydrophobicContact CZ-CB 3.93Å; F155-V391 HydrophobicContact CZ-CG1 4Å; F155-V391 HydrophobicContact CZ-CG2 4.4Å; V160-V391 HydrophobicContact CG2-CG1 3.96Å; V329-V391 HydrophobicContact CG2-CB 4.47Å; V329-V391 HydrophobicContact CG2-CG1 3.91Å; V329-V391 HydrophobicContact CG2-CG2 3.63Å; I370-V391 HydrophobicContact CG2-CG2 4.28Å; V387-V391 HydrophobicContact CG1-CG2 3.98Å; V387-V391 WeakPolarHBondContact O-CB 3.15Å; V387-V391 WeakPolarHBondContact O-CG2 3.44Å; V387-V391 PolarHBondContact O-N 3.01Å; V391-Y393 VanDerWaalsContact C-N 3.28Å; V391-Y393 PolarHBondContact O-N 3.42Å; V391-L394 PolarHBondContact O-N 2.87Å; V391-V395 HydrophobicContact CG1-CG2 4.48Å; V391-V395 WeakPolarHBondContact O-CG2 3.43Å; V391-V395 PolarHBondContact O-N 2.92Å
392	N	98.8	Very high	98.5	Very high	67 Å²	67	31.2 Å²	31.2	36%	0.358	15%	0.151	S	C	.	.	H	α-helix	trans	-58.5	-41.7	173.7	-78.5	-31.1	0	0	0	111.8	F155 I388 D389 G390 V395 D396	F155-N392 WeakPolarHBondContact CD1-OD1 3.15Å; I388-N392 WeakPolarHBondContact O-CB 3.28Å; I388-N392 VanDerWaalsContact O-CG 3.28Å; I388-N392 PolarHBondContact O-N 3.39Å; I388-N392 VanDerWaalsContact O-N 3.09Å; I388-N392 PolarHBondContact O-ND2 3.05Å; I388-N392 VanDerWaalsContact O-ND2 3.11Å; D389-N392 PolarHBondContact O-N 3.16Å; G390-N392 PolarHBondContact O-N 2.89Å; N392-V395 PolarHBondContact O-N 3.15Å; N392-D396 PolarHBondContact O-N 3.04Å
393	Y	98.7	Very high	98.5	Very high	59 Å²	59	35.5 Å²	35.5	23%	0.231	17%	0.165	C	C	.	.	H	α-helix	trans	-63.8	-42.4	175.5	-171.7	-90.5	0	0	0	112.7	I345 L349 D389 G390 V391 V395 D396 C397 K408 P410	I345-Y393 HydrophobicContact CG2-CD1 4.16Å; I345-Y393 HydrophobicContact CG2-CE1 4.04Å; L349-Y393 HydrophobicContact CD1-CD1 3.81Å; L349-Y393 HydrophobicContact CD1-CG 4.31Å; D389-Y393 PolarHBondContact O-N 2.97Å; G390-Y393 WeakPolarHBondContact O-CB 3.44Å; G390-Y393 PolarHBondContact O-N 3.39Å; V391-Y393 VanDerWaalsContact C-N 3.28Å; V391-Y393 PolarHBondContact O-N 3.42Å; Y393-V395 VanDerWaalsContact C-N 3.35Å; Y393-V395 PolarHBondContact O-N 3.06Å; Y393-D396 PolarHBondContact O-N 2.99Å; Y393-C397 WeakPolarHBondContact CE1-SG 3.29Å; Y393-C397 PolarHBondContact O-N 2.87Å; Y393-C397 PolarHBondContact O-SG 2.86Å; Y393-K408 PolarHBondContact OH-O 3.17Å; Y393-P410 HydrophobicContact CD1-CG 4.38Å; Y393-P410 HydrophobicContact CE1-CB 4.33Å; Y393-P410 HydrophobicContact CE1-CG 3.86Å; Y393-P410 HydrophobicContact CE2-CB 4.36Å
394	L	98.7	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-42	177.3	-64.7	178.5	0	0	0	111.5	L333 L336 F342 I345 L346 L349 L351 I370 G390 V391 C397 E398	L333-L394 HydrophobicContact CD1-CB 4.35Å; L333-L394 HydrophobicContact CD1-CD1 4.33Å; L333-L394 HydrophobicContact CD2-CB 4.38Å; L336-L394 HydrophobicContact CD2-CB 4.16Å; L336-L394 HydrophobicContact CD2-CD2 3.7Å; F342-L394 HydrophobicContact CD2-CD2 4.43Å; F342-L394 HydrophobicContact CE2-CD2 4.02Å; I345-L394 HydrophobicContact CG2-CD2 3.69Å; L346-L394 HydrophobicContact CD2-CD1 3.95Å; L346-L394 HydrophobicContact CD2-CD2 4.32Å; L349-L394 HydrophobicContact CD1-CD2 4.26Å; L351-L394 HydrophobicContact CD1-CD1 4.01Å; I370-L394 HydrophobicContact CG1-CD1 4.32Å; I370-L394 HydrophobicContact CG2-CD1 3.92Å; G390-L394 WeakPolarHBondContact O-CG 3.22Å; G390-L394 PolarHBondContact O-N 2.92Å; V391-L394 PolarHBondContact O-N 2.87Å; L394-C397 WeakPolarHBondContact O-CB 3.36Å; L394-C397 PolarHBondContact O-N 3.26Å; L394-E398 PolarHBondContact O-N 3.39Å
395	V	98.6	Very high	98.5	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-65.8	-39.9	176.1	171.5	0	0	0	0	111.4	D156 Y159 V331 V391 N392 Y393 C397 E398 K399	D156-V395 HydrophobicContact CB-CG1 4.22Å; Y159-V395 HydrophobicContact CD2-CG1 3.68Å; Y159-V395 HydrophobicContact CE2-CG1 4.14Å; Y159-V395 HydrophobicContact CG-CG1 3.95Å; Y159-V395 HydrophobicContact CG-CG2 4.35Å; V331-V395 HydrophobicContact CG2-CG2 4.15Å; V391-V395 HydrophobicContact CG1-CG2 4.48Å; V391-V395 WeakPolarHBondContact O-CG2 3.43Å; V391-V395 PolarHBondContact O-N 2.92Å; N392-V395 PolarHBondContact O-N 3.15Å; Y393-V395 VanDerWaalsContact C-N 3.35Å; Y393-V395 PolarHBondContact O-N 3.06Å; V395-C397 VanDerWaalsContact C-N 3.34Å; V395-E398 PolarHBondContact O-N 3.23Å; V395-K399 HydrophobicContact CG1-CD 4.15Å; V395-K399 WeakPolarHBondContact O-CB 3.29Å; V395-K399 VanDerWaalsContact O-CG 3.31Å; V395-K399 WeakPolarHBondContact O-CG 3.3Å; V395-K399 PolarHBondContact O-N 2.64Å
396	D	98.7	Very high	98.5	Very high	60 Å²	60	46.3 Å²	46.3	32%	0.321	24%	0.239	S	C	.	.	H	α-helix	trans	-62.1	-41.3	173.2	176.4	65	0	0	0	112.1	N392 Y393 K399 K400	N392-D396 PolarHBondContact O-N 3.04Å; Y393-D396 PolarHBondContact O-N 2.99Å; D396-K399 PolarHBondContact O-N 2.76Å; D396-K400 WeakPolarHBondContact O-CG 3.41Å; D396-K400 PolarHBondContact O-N 2.72Å; D396-K400 IonicContact OD1-NZ 2.66Å; D396-K400 VanDerWaalsContact OD2-CE 3.24Å; D396-K400 WeakPolarHBondContact OD2-CE 3.39Å; D396-K400 IonicContact OD2-NZ 3.57Å; D396-K400 PolarHBondContact OD2-NZ 3.26Å
397	C	98.6	Very high	98.5	Very high	1 Å²	1	46 Å²	46	1%	0.007	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-46.1	174.6	-69.8	0	0	0	0	112	L336 Y393 L394 V395 K399 K400 L401 I407	L336-C397 HydrophobicContact CD1-CB 4.16Å; L336-C397 HydrophobicContact CD2-CB 3.91Å; Y393-C397 WeakPolarHBondContact CE1-SG 3.29Å; Y393-C397 PolarHBondContact O-N 2.87Å; Y393-C397 PolarHBondContact O-SG 2.86Å; L394-C397 WeakPolarHBondContact O-CB 3.36Å; L394-C397 PolarHBondContact O-N 3.26Å; V395-C397 VanDerWaalsContact C-N 3.34Å; C397-K399 PolarHBondContact O-N 2.94Å; C397-K400 PolarHBondContact O-N 3.17Å; C397-L401 WeakPolarHBondContact O-CG 3.28Å; C397-L401 PolarHBondContact O-N 2.93Å; C397-I407 HydrophobicContact CB-CB 4.47Å; C397-I407 HydrophobicContact CB-CD1 4.3Å; C397-I407 HydrophobicContact CB-CG2 3.96Å
398	E	98.6	Very high	98.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.5	-50.1	176.5	-173.8	63.5	-156.1	0	0	110.9	Y159 L333 P334 K335 L336 L394 V395 K400 L401 E402	Y159-E398 HydrophobicContact CD1-CB 4.45Å; Y159-E398 HydrophobicContact CD1-CG 3.94Å; Y159-E398 HydrophobicContact CE1-CB 4.23Å; Y159-E398 HydrophobicContact CE1-CG 3.61Å; L333-E398 WeakPolarHBondContact CA-OE2 3.5Å; L333-E398 HydrophobicContact CD2-CB 3.82Å; L333-E398 HydrophobicContact CD2-CG 4.19Å; P334-E398 WeakPolarHBondContact CD-OE1 3.23Å; P334-E398 VanDerWaalsContact CG-OE1 3.27Å; P334-E398 WeakPolarHBondContact CG-OE1 3.1Å; K335-E398 VanDerWaalsContact CB-OE1 3.26Å; K335-E398 WeakPolarHBondContact CB-OE1 3.22Å; K335-E398 WeakPolarHBondContact CG-OE1 3.27Å; K335-E398 PolarHBondContact N-OE1 3.04Å; K335-E398 PolarHBondContact N-OE2 3.29Å; L336-E398 WeakPolarHBondContact CB-OE2 3.32Å; L336-E398 PolarHBondContact N-OE2 2.93Å; L394-E398 PolarHBondContact O-N 3.39Å; V395-E398 PolarHBondContact O-N 3.23Å; E398-K400 VanDerWaalsContact C-N 3.29Å; E398-K400 PolarHBondContact O-N 2.8Å; E398-L401 PolarHBondContact O-N 3.38Å; E398-L401 VanDerWaalsContact O-N 3.14Å; E398-E402 WeakPolarHBondContact O-CG 3.42Å; E398-E402 PolarHBondContact O-N 3.13Å
399	K	98.7	Very high	98.4	Very high	59 Å²	59	56.4 Å²	56.4	26%	0.257	29%	0.287	S	S	.	.	H	α-helix	trans	-56.8	-38.7	176.9	-78	173.8	177.9	-177.8	0	113.4	D156 Y159 V395 D396 C397 R403	D156-K399 WeakPolarHBondContact OD2-CE 3.23Å; D156-K399 IonicContact OD2-NZ 3.8Å; D156-K399 PolarHBondContact OD2-NZ 2.66Å; Y159-K399 HydrophobicContact CE1-CG 4.49Å; Y159-K399 HydrophobicContact CE2-CD 4.3Å; Y159-K399 HydrophobicContact CE2-CG 3.99Å; Y159-K399 VanDerWaalsContact OH-CG 3.22Å; Y159-K399 WeakPolarHBondContact OH-CG 3.47Å; V395-K399 HydrophobicContact CG1-CD 4.15Å; V395-K399 WeakPolarHBondContact O-CB 3.29Å; V395-K399 VanDerWaalsContact O-CG 3.31Å; V395-K399 WeakPolarHBondContact O-CG 3.3Å; V395-K399 PolarHBondContact O-N 2.64Å; D396-K399 PolarHBondContact O-N 2.76Å; C397-K399 PolarHBondContact O-N 2.94Å; K399-R403 PolarHBondContact O-N 3.09Å; K399-R403 PolarHBondContact O-NH1 3.23Å; K399-R403 VanDerWaalsContact O-NH1 3.12Å
400	K	98.7	Very high	98.4	Very high	64 Å²	64	52.7 Å²	52.7	28%	0.278	27%	0.268	S	S	.	.	H	α-helix	trans	-66.6	-47.5	176.1	-79.1	170.5	177.3	162.1	0	111.2	D396 C397 E398 E402 R403 G404 Q405 I407	D396-K400 WeakPolarHBondContact O-CG 3.41Å; D396-K400 PolarHBondContact O-N 2.72Å; D396-K400 IonicContact OD1-NZ 2.66Å; D396-K400 VanDerWaalsContact OD2-CE 3.24Å; D396-K400 WeakPolarHBondContact OD2-CE 3.39Å; D396-K400 IonicContact OD2-NZ 3.57Å; D396-K400 PolarHBondContact OD2-NZ 3.26Å; C397-K400 PolarHBondContact O-N 3.17Å; E398-K400 VanDerWaalsContact C-N 3.29Å; E398-K400 PolarHBondContact O-N 2.8Å; K400-E402 VanDerWaalsContact C-N 3.31Å; K400-E402 PolarHBondContact O-N 3.46Å; K400-R403 CarbonylContact O-C 3.52Å; K400-R403 PolarHBondContact O-N 3.15Å; K400-R403 VanDerWaalsContact O-N 3.07Å; K400-G404 PolarHBondContact O-N 3.32Å; K400-Q405 HydrophobicContact CB-CB 4.06Å; K400-Q405 HydrophobicContact CG-CB 4.45Å; K400-Q405 WeakPolarHBondContact O-CB 3.26Å; K400-Q405 PolarHBondContact O-N 2.82Å; K400-I407 HydrophobicContact CB-CG2 3.83Å; K400-I407 HydrophobicContact CD-CG2 4.25Å
401	L	98.5	Very high	98.3	Very high	35 Å²	35	57.9 Å²	57.9	18%	0.183	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-35.9	178.6	-67.6	174.4	0	0	0	112.2	K335 L336 C397 E398 R403 G404 I407	K335-L401 HydrophobicContact CB-CB 3.71Å; K335-L401 HydrophobicContact CB-CD1 3.99Å; K335-L401 HydrophobicContact CG-CB 4.33Å; L336-L401 HydrophobicContact CB-CD1 4.03Å; L336-L401 HydrophobicContact CD1-CD1 4.15Å; C397-L401 WeakPolarHBondContact O-CG 3.28Å; C397-L401 PolarHBondContact O-N 2.93Å; E398-L401 PolarHBondContact O-N 3.38Å; E398-L401 VanDerWaalsContact O-N 3.14Å; L401-R403 PolarHBondContact O-N 3.47Å; L401-G404 PolarHBondContact O-N 2.83Å; L401-I407 HydrophobicContact CD1-CD1 4.08Å; L401-I407 HydrophobicContact CD2-CD1 4.45Å; L401-I407 HydrophobicContact CD2-CG1 4.33Å; L401-I407 HydrophobicContact CD2-CG2 4.13Å; L401-I407 HydrophobicContact CG-CD1 4.43Å; L401-I407 HydrophobicContact CG-CG2 3.95Å
402	E	98.1	Very high	98.1	Very high	93 Å²	93	62.4 Å²	62.4	44%	0.435	33%	0.331	S	S	.	.	H	α-helix	trans	-60.2	-33.5	173	-73.9	172.7	160.8	0	0	112.7	Y159 K335 E398 K400 G404	Y159-E402 WeakPolarHBondContact CE1-OE1 3.45Å; Y159-E402 PolarHBondContact OH-OE1 2.9Å; Y159-E402 PolarHBondContact OH-OE2 3.38Å; K335-E402 HydrophobicContact CG-CG 4.3Å; E398-E402 WeakPolarHBondContact O-CG 3.42Å; E398-E402 PolarHBondContact O-N 3.13Å; K400-E402 VanDerWaalsContact C-N 3.31Å; K400-E402 PolarHBondContact O-N 3.46Å; E402-G404 VanDerWaalsContact C-N 3.32Å
403	R	98.3	Very high	97.8	Very high	140 Å²	140	62.4 Å²	62.4	53%	0.528	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	6.7	175.1	-65.1	-173.8	-60.6	-88.3	-2.6	113.9	K399 K400 L401 Q405	K399-R403 PolarHBondContact O-N 3.09Å; K399-R403 PolarHBondContact O-NH1 3.23Å; K399-R403 VanDerWaalsContact O-NH1 3.12Å; K400-R403 CarbonylContact O-C 3.52Å; K400-R403 PolarHBondContact O-N 3.15Å; K400-R403 VanDerWaalsContact O-N 3.07Å; L401-R403 PolarHBondContact O-N 3.47Å; R403-Q405 VanDerWaalsContact C-N 3.27Å; R403-Q405 HydrophobicContact CB-CG 4.11Å; R403-Q405 VanDerWaalsContact NE-OE1 3.14Å; R403-Q405 PolarHBondContact O-N 3.47Å
404	G	97.7	Very high	97.3	Very high	73 Å²	73	63.9 Å²	63.9	75%	0.753	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	22.6	-176.2	0	0	0	0	0	114.2	K400 L401 E402	K400-G404 PolarHBondContact O-N 3.32Å; L401-G404 PolarHBondContact O-N 2.83Å; E402-G404 VanDerWaalsContact C-N 3.32Å
405	Q	98.4	Very high	96.4	Very high	93 Å²	93	65.8 Å²	65.8	44%	0.435	36%	0.356	S	S	.	.			trans	-93.3	150.5	178	-61	174.9	-27.8	0	0	110.8	K400 R403	K400-Q405 HydrophobicContact CB-CB 4.06Å; K400-Q405 HydrophobicContact CG-CB 4.45Å; K400-Q405 WeakPolarHBondContact O-CB 3.26Å; K400-Q405 PolarHBondContact O-N 2.82Å; R403-Q405 VanDerWaalsContact C-N 3.27Å; R403-Q405 HydrophobicContact CB-CG 4.11Å; R403-Q405 VanDerWaalsContact NE-OE1 3.14Å; R403-Q405 PolarHBondContact O-N 3.47Å
406	D	97.9	Very high	95.8	Very high	115 Å²	115	68.7 Å²	68.7	62%	0.615	37%	0.368	S	S	*	.			trans	-76.2	154.3	175.8	-169.1	34.4	0	0	0	112.5	R341	R341-D406 IonicContact CZ-OD1 3.54Å; R341-D406 IonicContact NH1-OD1 3.61Å; R341-D406 PolarHBondContact NH1-OD1 3.1Å; R341-D406 IonicContact NH1-OD2 2.73Å; R341-D406 IonicContact NH2-OD1 3.52Å; R341-D406 PolarHBondContact NH2-OD1 3.2Å; R341-D406 VanDerWaalsContact NH2-OD1 3.08Å
407	I	98.5	Very high	94.7	Very high	3 Å²	3	67 Å²	67	2%	0.015	37%	0.365	C	S	.	.			trans	-118.9	160.1	178.9	61.4	167.5	0	0	0	110.9	L336 R341 I345 C397 K400 L401	L336-I407 HydrophobicContact CD1-CD1 3.51Å; R341-I407 VanDerWaalsContact CZ-CG1 3.5Å; R341-I407 PolarHBondContact NH1-O 3.46Å; R341-I407 VanDerWaalsContact NH2-CG1 3.32Å; I345-I407 HydrophobicContact CD1-CD1 3.94Å; C397-I407 HydrophobicContact CB-CB 4.47Å; C397-I407 HydrophobicContact CB-CD1 4.3Å; C397-I407 HydrophobicContact CB-CG2 3.96Å; K400-I407 HydrophobicContact CB-CG2 3.83Å; K400-I407 HydrophobicContact CD-CG2 4.25Å; L401-I407 HydrophobicContact CD1-CD1 4.08Å; L401-I407 HydrophobicContact CD2-CD1 4.45Å; L401-I407 HydrophobicContact CD2-CG1 4.33Å; L401-I407 HydrophobicContact CD2-CG2 4.13Å; L401-I407 HydrophobicContact CG-CD1 4.43Å; L401-I407 HydrophobicContact CG-CG2 3.95Å
408	K	97.6	Very high	93.2	Very high	164 Å²	164	78 Å²	78	71%	0.713	41%	0.406	S	S	*	.			trans	-113.7	154.1	178.3	-65.5	-175	179.9	-179	0	110.9	Y393	Y393-K408 PolarHBondContact OH-O 3.17Å
409	V	98.3	Very high	91.2	Very high	59 Å²	59	89.9 Å²	89.9	36%	0.358	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-81.9	121.8	165.9	-179.7	0	0	0	0	107.3	R341 K344 I345 N348	R341-V409 HydrophobicContact CB-CG2 3.99Å; R341-V409 HydrophobicContact CG-CG2 4.24Å; K344-V409 HydrophobicContact CB-CG1 4.41Å; K344-V409 HydrophobicContact CG-CG1 3.85Å; I345-V409 HydrophobicContact CG1-CG1 4.5Å; I345-V409 HydrophobicContact CG1-CG2 4.23Å; N348-V409 WeakPolarHBondContact ND2-CG1 3.42Å
410	P	97.7	Very high	90.8	Very high	14 Å²	14	91.5 Å²	91.5	9%	0.091	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-68	154.3	178.2	29.3	-32.8	0	0	0	110	I345 N348 L349 Y393	I345-P410 HydrophobicContact CG2-CG 4.41Å; N348-P410 HydrophobicContact CB-CG 4.4Å; N348-P410 WeakPolarHBondContact CB-O 3.46Å; N348-P410 PolarHBondContact ND2-O 3.43Å; L349-P410 HydrophobicContact CD1-CG 4.31Å; L349-P410 HydrophobicContact CD2-CB 4.23Å; L349-P410 HydrophobicContact CD2-CG 3.77Å; L349-P410 HydrophobicContact CG-CG 3.79Å; Y393-P410 HydrophobicContact CD1-CG 4.38Å; Y393-P410 HydrophobicContact CE1-CB 4.33Å; Y393-P410 HydrophobicContact CE1-CG 3.86Å; Y393-P410 HydrophobicContact CE2-CB 4.36Å
411	P	96.8	Very high	90.4	Very high	109 Å²	109	92.9 Å²	92.9	71%	0.708	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-61.4	150.9	172.1	28.4	-34.7	0	0	0	110.7	L413	P411-L413 PolarHBondContact O-N 3.27Å
412	P	94.6	Very high	90	Very high	95 Å²	95	96.1 Å²	96.1	62%	0.617	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-64.5	133.7	178.3	27.2	-33.7	0	0	0	111.1	N348	N348-P412 HydrophobicContact CB-CB 4.35Å
413	L	91.9	Very high	89.5	Confident	67 Å²	67	96.3 Å²	96.3	35%	0.351	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-65	148.8	171.1	-67.8	176.9	0	0	0	110.5	N348 R350 I386 P411	N348-L413 PolarHBondContact O-N 2.81Å; R350-L413 HydrophobicContact CG-CB 3.97Å; R350-L413 HydrophobicContact CG-CD1 4.18Å; I386-L413 HydrophobicContact CG1-CD1 4.45Å; I386-L413 HydrophobicContact CG2-CD1 4.29Å; P411-L413 PolarHBondContact O-N 3.27Å
414	P	88.1	Confident	88.9	Confident	90 Å²	90	93.6 Å²	93.6	58%	0.584	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-58.7	147.6	172.9	25.9	-34	0	0	0	110.2	R378 F416	R378-P414 PolarHBondContact NH2-O 2.67Å; P414-F416 PolarHBondContact O-N 3.2Å
415	Q	80.3	Confident	88.4	Confident	40 Å²	40	94.9 Å²	94.9	19%	0.187	48%	0.479	C	S	.	.	S	Bend	trans	-66.3	-41.9	-173.6	-177.8	52.2	41.4	0	0	112.9	N132 D374 R378	N132-Q415 VanDerWaalsContact ND2-CD 3.28Å; N132-Q415 PolarHBondContact ND2-OE1 2.78Å; N132-Q415 WeakPolarHBondContact O-CG 3.31Å; D374-Q415 PolarHBondContact OD1-NE2 2.62Å; R378-Q415 PolarHBondContact NE-O 3.19Å
416	F	85.6	Confident	87.6	Confident	68 Å²	68	95.1 Å²	95.1	30%	0.298	48%	0.482	S	S	.	.	S	Bend	trans	-110.4	156.9	-175.8	-55.6	-58.8	0	0	0	112.6	G133 Y134 M139 P414	G133-F416 VanDerWaalsContact C-CZ 3.47Å; Y134-F416 HydrophobicContact CD2-CE1 4.42Å; M139-F416 HydrophobicContact CE-CD1 3.98Å; M139-F416 HydrophobicContact CE-CD2 3.99Å; M139-F416 HydrophobicContact CE-CE1 4.12Å; M139-F416 HydrophobicContact CE-CE2 4.12Å; M139-F416 HydrophobicContact CE-CG 3.93Å; M139-F416 HydrophobicContact CE-CZ 4.19Å; M139-F416 HydrophobicContact SD-CZ 4.39Å; P414-F416 PolarHBondContact O-N 3.2Å
417	G	75.5	Confident	86.9	Confident	24 Å²	24	93.5 Å²	93.5	25%	0.247	47%	0.472	C	S	.	.			trans	-66.8	172.4	176.2	0	0	0	0	0	113.4	G377 E382	G377-G417 PolarHBondContact O-N 2.95Å; E382-G417 WeakPolarHBondContact OE1-CA 3.36Å
418	R	68.1	Low	85.9	Confident	233 Å²	233	101.1 Å²	101.1	88%	0.879	51%	0.51	S	S	*	.			trans	-89	136.3	170.6	-65	-175.6	-174.3	179.4	2.9	107.8	E382	E382-R418 PolarHBondContact OE1-N 2.98Å
419	K	56	Low	84.8	Confident	250 Å²	250	95.4 Å²	95.4	100%	1.087	49%	0.492	S	S	*	.			trans	-64.5	0	179	-70.4	-175	179.9	-178.9	0	112.1

Retrieved 419 of 419 residues in 853.1 ms (Link to these results)

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