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Creatine kinase U-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 A0A060W008, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 414 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	34.9	Very low	244 Å²	244	157.6 Å²	157.6	100%	1.202	86%	0.861	S	S	*	*				0	116.4	0	-74	-160.5	-81.7	0	0	107.7
2	A	31.5	Very low	35.1	Very low	111 Å²	111	160.1 Å²	160.1	92%	0.917	86%	0.857	S	S	*	*			trans	-70.3	136.4	-173.7	0	0	0	0	0	110.9
3	N	32.6	Very low	36.1	Very low	152 Å²	152	166.6 Å²	166.6	81%	0.813	86%	0.862	S	S	*	*			trans	-125.5	115.2	169.6	-155.4	13.1	0	0	0	106.5
4	N	38	Very low	36.8	Very low	153 Å²	153	163.2 Å²	163.2	82%	0.818	85%	0.846	S	S	*	*			trans	-175.6	137.4	158.7	-93.3	-23.2	0	0	0	110.3
5	F	34.7	Very low	37.1	Very low	203 Å²	203	158.6 Å²	158.6	89%	0.89	83%	0.827	S	S	*	*			trans	105	93.5	171.6	-79.2	-91	0	0	0	117.6
6	A	31.2	Very low	37.6	Very low	101 Å²	101	162.1 Å²	162.1	84%	0.835	83%	0.826	S	S	*	*				-161.4	107.3	122.3	0	0	0	0	0	109.9	M8	A6-M8 PolarHBondContact O-N 3.26Å
7	R	32	Very low	38	Very low	232 Å²	232	159.9 Å²	159.9	88%	0.875	82%	0.815	S	S	*	*			trans	-61.6	122	167.5	-91.5	174.8	165.1	170.5	-5.5	109.3	L9	R7-L9 PolarHBondContact O-N 3.28Å
8	M	32	Very low	38.4	Very low	175 Å²	175	156.9 Å²	156.9	86%	0.862	80%	0.801	S	S	*	*			trans	-90.4	93.7	163.3	-166.1	175.8	164.3	0	0	108.7	A6 S10	A6-M8 PolarHBondContact O-N 3.26Å; M8-S10 PolarHBondContact O-N 2.83Å
9	L	38.2	Very low	38.6	Very low	162 Å²	162	153.1 Å²	153.1	85%	0.848	79%	0.79	S	S	*	*			trans	-81.2	97.8	160.3	-87	163	0	0	0	107.8	R7	R7-L9 PolarHBondContact O-N 3.28Å
10	S	35.3	Very low	39.1	Very low	85 Å²	85	152.3 Å²	152.3	59%	0.594	79%	0.786	S	S	*	*			trans	-148	82.5	162.3	169.4	0	0	0	0	109.1	M8	M8-S10 PolarHBondContact O-N 2.83Å
11	S	39.8	Very low	39.4	Very low	116 Å²	116	152.3 Å²	152.3	81%	0.811	79%	0.786	S	S	*	*			trans	-96.8	76.2	159.8	69.7	0	0	0	0	109.3
12	K	37.6	Very low	39.8	Very low	187 Å²	187	142.9 Å²	142.9	81%	0.813	75%	0.752	S	S	*	*			trans	-115.3	101.3	153.6	-78.5	-168	176.8	-176.1	0	107	N14	K12-N14 VanDerWaalsContact C-N 3.26Å; K12-N14 PolarHBondContact O-N 3.07Å
13	R	47.2	Very low	40.7	Very low	245 Å²	245	143.3 Å²	143.3	93%	0.925	76%	0.755	S	S	*	*			trans	-75.8	-3.7	-168.2	-128.3	175.3	-176.3	177.7	0.1	114.7
14	N	46.5	Very low	41.4	Very low	119 Å²	119	140 Å²	140	64%	0.636	76%	0.756	S	S	*	*			trans	-133.1	57.2	-162.4	-68.1	-17.8	0	0	0	114.5	K12	K12-N14 VanDerWaalsContact C-N 3.26Å; K12-N14 PolarHBondContact O-N 3.07Å
15	V	40.4	Very low	41.7	Very low	94 Å²	94	136.8 Å²	136.8	57%	0.57	75%	0.746	S	S	*	*			trans	-123.5	111.5	161.8	-178.7	0	0	0	0	108	I17 F30	V15-I17 HydrophobicContact CG1-CG1 4.33Å; V15-F30 HydrophobicContact CG1-CD1 4.35Å; V15-F30 HydrophobicContact CG1-CE1 4.44Å
16	R	45.1	Very low	41.8	Very low	214 Å²	214	134.3 Å²	134.3	81%	0.808	74%	0.741	S	S	*	*			trans	-103.5	122.1	167.3	-73	-171.8	176.9	-173.1	-0.2	108.1
17	I	44.4	Very low	42.3	Very low	125 Å²	125	134.5 Å²	134.5	64%	0.641	73%	0.732	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.1	122.2	174.2	-62.5	173.6	0	0	0	106.8	V15	V15-I17 HydrophobicContact CG1-CG1 4.33Å
18	L	45.3	Very low	42.9	Very low	106 Å²	106	127.1 Å²	127.1	56%	0.555	72%	0.721	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.3	114.8	169.6	-143	92.7	0	0	0	108	L20	L18-L20 HydrophobicContact CD2-CD1 4.42Å
19	S	43.6	Very low	43.4	Very low	85 Å²	85	120.8 Å²	120.8	59%	0.594	70%	0.7	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104	115.2	172.9	56.4	0	0	0	0	109.4
20	L	48.4	Very low	43.8	Very low	137 Å²	137	120.2 Å²	120.2	72%	0.717	69%	0.691	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.7	122.6	167.4	-89.8	155.4	0	0	0	108.3	L18	L18-L20 HydrophobicContact CD2-CD1 4.42Å
21	I	45.4	Very low	44.2	Very low	153 Å²	153	122 Å²	122	79%	0.785	69%	0.693	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.7	105.8	176.8	-59.5	176.3	0	0	0	107.6
22	G	46.7	Very low	44.6	Very low	46 Å²	46	123.8 Å²	123.8	47%	0.474	69%	0.693	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.6	141	164.6	0	0	0	0	0	109.2	G24 S25	G22-G24 PolarHBondContact O-N 3.22Å; G22-S25 PolarHBondContact O-N 3.4Å
23	A	50.3	Low	45	Very low	120 Å²	120	122 Å²	122	99%	0.992	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	99.5	-175	0	0	0	0	0	112
24	G	47.7	Very low	44.9	Very low	81 Å²	81	120.9 Å²	120.9	84%	0.835	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	124.6	-12.4	168.7	0	0	0	0	0	117.4	G22	G22-G24 PolarHBondContact O-N 3.22Å
25	S	43.9	Very low	44.8	Very low	86 Å²	86	122.6 Å²	122.6	60%	0.601	69%	0.692	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-156.4	128.7	179.9	45.1	0	0	0	0	113.4	G22	G22-S25 PolarHBondContact O-N 3.4Å
26	L	37.4	Very low	44.9	Very low	152 Å²	152	126 Å²	126	80%	0.796	70%	0.702	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.7	107.2	172.8	-101.8	155.6	0	0	0	109.3
27	T	41.6	Very low	45.2	Very low	104 Å²	104	122.3 Å²	122.3	64%	0.638	70%	0.703	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.5	111.4	172.3	-44	0	0	0	0	108.9
28	A	43.9	Very low	45.3	Very low	78 Å²	78	121 Å²	121	65%	0.645	70%	0.7	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.4	106.4	172	0	0	0	0	0	109.4
29	G	43.1	Very low	45.3	Very low	41 Å²	41	121.7 Å²	121.7	42%	0.423	72%	0.721	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.9	119.8	172.6	0	0	0	0	0	110.9	L31	G29-L31 PolarHBondContact O-N 3.33Å
30	F	45.8	Very low	45.4	Very low	150 Å²	150	120.9 Å²	120.9	66%	0.658	73%	0.727	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.5	108.3	166.9	-74.9	-85.7	0	0	0	109.1	V15 L32	V15-F30 HydrophobicContact CG1-CD1 4.35Å; V15-F30 HydrophobicContact CG1-CE1 4.44Å; F30-L32 VanDerWaalsContact C-N 3.3Å; F30-L32 PolarHBondContact O-N 3.45Å
31	L	45.5	Very low	45.4	Very low	123 Å²	123	118 Å²	118	64%	0.644	72%	0.723	S	S	*	*			trans	-74.9	89.5	164.5	-81.9	164.1	0	0	0	108.2	G29 N33	G29-L31 PolarHBondContact O-N 3.33Å; L31-N33 PolarHBondContact O-N 3.44Å; L31-N33 VanDerWaalsContact O-N 3.16Å
32	L	46.7	Very low	45.8	Very low	154 Å²	154	119.5 Å²	119.5	81%	0.806	73%	0.726	S	S	*	*			trans	-72.7	100.3	164.8	-68.5	171.2	0	0	0	107.2	F30 R34	F30-L32 VanDerWaalsContact C-N 3.3Å; F30-L32 PolarHBondContact O-N 3.45Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 2.81Å
33	N	45.5	Very low	46.3	Very low	149 Å²	149	122.2 Å²	122.2	80%	0.797	74%	0.744	S	S	*	*			trans	-62.7	103.2	162.1	-120.1	10.1	0	0	0	106	L31 E35	L31-N33 PolarHBondContact O-N 3.44Å; L31-N33 VanDerWaalsContact O-N 3.16Å; N33-E35 PolarHBondContact O-N 3.03Å
34	R	46	Very low	46.6	Very low	221 Å²	221	127.4 Å²	127.4	83%	0.834	74%	0.738	S	S	*	*			trans	-63.2	106.5	165.6	-91.7	-177.4	166.8	178.3	-3.9	105.8	L32 H36	L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 2.81Å; R34-H36 PolarHBondContact O-N 3.38Å
35	E	44.2	Very low	47.6	Very low	156 Å²	156	126.7 Å²	126.7	73%	0.729	71%	0.711	S	S	*	*			trans	-57.4	112	158.2	-77.7	-175.6	173.6	0	0	105.9	N33 V37	N33-E35 PolarHBondContact O-N 3.03Å; E35-V37 VanDerWaalsContact C-N 3.27Å; E35-V37 PolarHBondContact O-N 3.04Å
36	H	42.3	Very low	49.3	Very low	165 Å²	165	128.7 Å²	128.7	76%	0.764	72%	0.719	S	S	*	*			trans	-63.7	99.5	165.7	-81.1	-78.3	0	0	0	106	R34 T38	R34-H36 PolarHBondContact O-N 3.38Å; H36-T38 PolarHBondContact O-N 2.93Å
37	V	51.3	Low	51.9	Low	137 Å²	137	128.3 Å²	128.3	83%	0.83	71%	0.708	S	S	*	*			trans	-65.9	93.5	165.5	-173	0	0	0	0	105.5	E35	E35-V37 VanDerWaalsContact C-N 3.27Å; E35-V37 PolarHBondContact O-N 3.04Å
38	T	47.1	Very low	54.4	Low	96 Å²	96	127.4 Å²	127.4	59%	0.589	70%	0.703	S	S	*	*			trans	-72	127.2	170.1	35.1	0	0	0	0	107.4	H36 G40 A41	H36-T38 PolarHBondContact O-N 2.93Å; T38-G40 PolarHBondContact O-N 3.37Å; T38-A41 PolarHBondContact O-N 2.87Å
39	A	45.8	Very low	56.8	Low	121 Å²	121	124.7 Å²	124.7	100%	1	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	29.7	179.8	0	0	0	0	0	114.1
40	G	45	Very low	59.2	Low	69 Å²	69	127.2 Å²	127.2	71%	0.711	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.4	15.5	-174.7	0	0	0	0	0	114.5	T38 Q42	T38-G40 PolarHBondContact O-N 3.37Å; G40-Q42 PolarHBondContact O-N 3.3Å
41	A	48.9	Very low	61.7	Low	76 Å²	76	123.2 Å²	123.2	63%	0.628	69%	0.687	S	S	*	*			trans	-67.2	118.2	167.6	0	0	0	0	0	108.4	T38 A43	T38-A41 PolarHBondContact O-N 2.87Å; A41-A43 PolarHBondContact O-N 3.36Å
42	Q	54.2	Low	64.1	Low	184 Å²	184	121.3 Å²	121.3	86%	0.86	68%	0.675	S	S	*	*			trans	-45.5	121.3	162.8	-100.2	173.3	-17.6	0	0	107	G40 R44	G40-Q42 PolarHBondContact O-N 3.3Å; Q42-R44 PolarHBondContact O-N 2.94Å
43	A	57.1	Low	66.5	Low	103 Å²	103	117.1 Å²	117.1	85%	0.851	65%	0.649	S	S	*	*			trans	-64.2	83.7	176.7	0	0	0	0	0	108.1	A41 R45	A41-A43 PolarHBondContact O-N 3.36Å; A43-R45 PolarHBondContact O-N 3.09Å
44	R	56.4	Low	69	Low	230 Å²	230	110.9 Å²	110.9	87%	0.868	62%	0.616	S	S	*	*			trans	-67.2	124.9	177.1	-168	175.2	-175.3	175.6	2.4	106.6	Q42 V46	Q42-R44 PolarHBondContact O-N 2.94Å; R44-V46 PolarHBondContact O-N 2.68Å
45	R	68.5	Low	71.5	Confident	66 Å²	66	104.8 Å²	104.8	25%	0.249	60%	0.6	C	S	.	*			trans	-52.8	130.8	178.4	-74.9	-166.8	-174	-130.6	4.3	110	A43 Y72 V76 D77 D87	A43-R45 PolarHBondContact O-N 3.09Å; R45-Y72 PolarHBondContact NH1-OH 2.66Å; R45-V76 VanDerWaalsContact NE-CG2 3.32Å; R45-V76 PolarHBondContact NE-O 3.39Å; R45-V76 PolarHBondContact NH2-O 3.41Å; R45-D77 WeakPolarHBondContact CD-OD1 3.46Å; R45-D77 IonicContact NE-OD1 3.88Å; R45-D87 IonicContact CZ-OD2 3.81Å; R45-D87 IonicContact NH1-OD2 3.43Å; R45-D87 PolarHBondContact NH1-OD2 2.73Å; R45-D87 IonicContact NH2-OD1 2.86Å; R45-D87 IonicContact NH2-OD2 2.67Å; R45-D87 PolarHBondContact NH2-OD2 3.1Å
46	V	79.4	Confident	74.1	Confident	128 Å²	128	98.5 Å²	98.5	78%	0.776	57%	0.572	S	S	*	*	S	Bend	trans	-77.5	-28.1	-176.8	179.8	0	0	0	0	110.9	R44	R44-V46 PolarHBondContact O-N 2.68Å
47	Y	90.9	Very high	76.7	Confident	144 Å²	144	100.8 Å²	100.8	57%	0.565	57%	0.573	S	S	*	*	S	Bend	trans	-110.8	153.4	-176	-65.5	-73.4	0	0	0	112
48	P	93.6	Very high	78.9	Confident	84 Å²	84	103.5 Å²	103.5	55%	0.545	57%	0.574	S	S	.	*			trans	-63.1	149.1	172.3	28.2	-35	0	0	0	110.7	S50 A51	P48-S50 PolarHBondContact O-N 2.97Å; P48-A51 HydrophobicContact CG-CB 4.12Å; P48-A51 WeakPolarHBondContact O-CB 3.27Å; P48-A51 PolarHBondContact O-N 3.13Å
49	A	94.3	Very high	81.3	Confident	21 Å²	21	100.9 Å²	100.9	17%	0.174	56%	0.555	C	S	.	*	H	α-helix	trans	-49.8	-37.6	-178.3	0	0	0	0	0	114.3	A51 E52 Y53 Y72 A73 V76	A49-A51 PolarHBondContact O-N 3.12Å; A49-E52 PolarHBondContact O-N 3.31Å; A49-Y53 PolarHBondContact O-N 3.02Å; A49-Y72 HydrophobicContact CB-CD1 4.31Å; A49-Y72 WeakPolarHBondContact O-CE1 3.33Å; A49-A73 HydrophobicContact CB-CB 3.77Å; A49-V76 HydrophobicContact CB-CG1 3.77Å
50	S	95.3	Very high	83.7	Confident	95 Å²	95	99.8 Å²	99.8	66%	0.664	53%	0.532	S	S	*	.	H	α-helix	trans	-65.5	-23.9	179.3	54.6	0	0	0	0	114.1	P48 E52	P48-S50 PolarHBondContact O-N 2.97Å; S50-E52 VanDerWaalsContact C-N 3.35Å
51	A	96.6	Very high	86.1	Confident	65 Å²	65	96.5 Å²	96.5	54%	0.537	50%	0.498	S	S	.	.	H	α-helix	trans	-77.4	-23.7	177.3	0	0	0	0	0	112.6	P48 A49	P48-A51 HydrophobicContact CG-CB 4.12Å; P48-A51 WeakPolarHBondContact O-CB 3.27Å; P48-A51 PolarHBondContact O-N 3.13Å; A49-A51 PolarHBondContact O-N 3.12Å
52	E	96.2	Very high	88.5	Confident	84 Å²	84	93 Å²	93	39%	0.393	47%	0.469	S	S	.	.	H	α-helix	trans	-97.7	-3.2	177.8	-58.4	-68.9	179.9	0	0	112.2	A49 S50 Y72	A49-E52 PolarHBondContact O-N 3.31Å; S50-E52 VanDerWaalsContact C-N 3.35Å; E52-Y72 HydrophobicContact CB-CE1 4.12Å; E52-Y72 WeakPolarHBondContact CB-OH 3.3Å; E52-Y72 PolarHBondContact O-OH 3.41Å
53	Y	98.1	Very high	90.6	Very high	66 Å²	66	84.2 Å²	84.2	26%	0.259	43%	0.428	S	S	.	.			trans	-62.8	129.3	-178.3	-169.1	-93	0	0	0	111.2	A49 L67 T68 P69 Y72	A49-Y53 PolarHBondContact O-N 3.02Å; Y53-L67 HydrophobicContact CE2-CD2 4.07Å; Y53-L67 HydrophobicContact CE2-CG 4Å; Y53-L67 PolarHBondContact OH-O 2.79Å; Y53-T68 VanDerWaalsContact CE2-C 3.46Å; Y53-T68 WeakPolarHBondContact OH-CA 3.48Å; Y53-P69 HydrophobicContact CE1-CG 4.43Å; Y53-P69 HydrophobicContact CE2-CB 4.38Å; Y53-P69 HydrophobicContact CE2-CG 4.18Å; Y53-Y72 AromaticContact CD2-CD1 3.74Å; Y53-Y72 HydrophobicContact CD2-CD1 3.74Å; Y53-Y72 HydrophobicContact CD2-CD2 4.26Å; Y53-Y72 AromaticContact CD2-CG 3.57Å; Y53-Y72 HydrophobicContact CD2-CG 3.57Å; Y53-Y72 HydrophobicContact CE2-CG 4.06Å
54	P	98.1	Very high	92.5	Very high	18 Å²	18	80.3 Å²	80.3	12%	0.117	40%	0.396	C	S	.	.			trans	-70.7	146	-174.3	28.3	-35.7	0	0	0	112.8	L56 L67 I90 V94	P54-L56 HydrophobicContact CB-CD2 4.11Å; P54-L56 HydrophobicContact CB-CG 4.08Å; P54-L56 HydrophobicContact CG-CD1 3.93Å; P54-L56 HydrophobicContact CG-CD2 4.36Å; P54-L56 HydrophobicContact CG-CG 4.02Å; P54-L56 PolarHBondContact O-N 3.49Å; P54-L67 HydrophobicContact CG-CD2 3.65Å; P54-I90 HydrophobicContact CG-CD1 4.24Å; P54-V94 HydrophobicContact CB-CG1 4.14Å; P54-V94 HydrophobicContact CB-CG2 3.81Å; P54-V94 HydrophobicContact CG-CG2 4.23Å
55	D	98.4	Very high	94.5	Very high	92 Å²	92	72.1 Å²	72.1	49%	0.492	37%	0.374	S	S	.	.			trans	-79.9	103.2	169.7	-178.5	8.3	0	0	0	110.7	R57 H59	D55-R57 WeakPolarHBondContact OD1-CB 3.33Å; D55-R57 VanDerWaalsContact OD1-CG 3.27Å; D55-R57 WeakPolarHBondContact OD1-CG 3.24Å; D55-R57 IonicContact OD1-CZ 2.82Å; D55-R57 PolarHBondContact OD1-N 3.47Å; D55-R57 IonicContact OD1-NE 3.16Å; D55-R57 PolarHBondContact OD1-NE 2.96Å; D55-R57 IonicContact OD1-NH2 2.63Å; D55-R57 IonicContact OD2-CZ 3.81Å; D55-R57 IonicContact OD2-NE 3.95Å; D55-R57 PolarHBondContact OD2-NE 3.41Å; D55-R57 IonicContact OD2-NH2 3.4Å; D55-R57 PolarHBondContact OD2-NH2 2.88Å; D55-H59 PolarHBondContact O-CE1 2.85Å
56	L	98.1	Very high	96	Very high	25 Å²	25	71.5 Å²	71.5	13%	0.131	37%	0.374	C	S	.	.			trans	-109.8	17.5	-176.1	-58.9	178.6	0	0	0	113.5	P54 K58 H59 M63 A64 L67 V94	P54-L56 HydrophobicContact CB-CD2 4.11Å; P54-L56 HydrophobicContact CB-CG 4.08Å; P54-L56 HydrophobicContact CG-CD1 3.93Å; P54-L56 HydrophobicContact CG-CD2 4.36Å; P54-L56 HydrophobicContact CG-CG 4.02Å; P54-L56 PolarHBondContact O-N 3.49Å; L56-K58 PolarHBondContact O-N 3.16Å; L56-H59 HydrophobicContact CB-CB 4.29Å; L56-H59 HydrophobicContact CD2-CB 4.41Å; L56-H59 PolarHBondContact O-N 3.27Å; L56-H59 VanDerWaalsContact O-N 3.16Å; L56-M63 HydrophobicContact CD1-CE 4.35Å; L56-M63 HydrophobicContact CD1-SD 4.14Å; L56-M63 HydrophobicContact CD2-CE 4.38Å; L56-A64 HydrophobicContact CB-CB 4.22Å; L56-A64 HydrophobicContact CD1-CB 3.97Å; L56-A64 HydrophobicContact CD2-CB 4.48Å; L56-A64 HydrophobicContact CG-CB 4.46Å; L56-L67 HydrophobicContact CD1-CB 4.37Å; L56-L67 HydrophobicContact CD1-CD2 3.86Å; L56-V94 HydrophobicContact CD2-CG2 4.27Å
57	R	97.4	Very high	96.9	Very high	213 Å²	213	66 Å²	66	80%	0.804	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.4	-171.8	-72.4	176.4	-66.7	173.3	-0.4	115.1	D55	D55-R57 WeakPolarHBondContact OD1-CB 3.33Å; D55-R57 VanDerWaalsContact OD1-CG 3.27Å; D55-R57 WeakPolarHBondContact OD1-CG 3.24Å; D55-R57 IonicContact OD1-CZ 2.82Å; D55-R57 PolarHBondContact OD1-N 3.47Å; D55-R57 IonicContact OD1-NE 3.16Å; D55-R57 PolarHBondContact OD1-NE 2.96Å; D55-R57 IonicContact OD1-NH2 2.63Å; D55-R57 IonicContact OD2-CZ 3.81Å; D55-R57 IonicContact OD2-NE 3.95Å; D55-R57 PolarHBondContact OD2-NE 3.41Å; D55-R57 IonicContact OD2-NH2 3.4Å; D55-R57 PolarHBondContact OD2-NH2 2.88Å
58	K	96.6	Very high	97.2	Very high	193 Å²	193	61.8 Å²	61.8	84%	0.839	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	19.2	-177.5	-63.4	-176.5	-179.7	178.5	0	112.5	L56	L56-K58 PolarHBondContact O-N 3.16Å
59	H	97.6	Very high	97.5	Very high	42 Å²	42	61.9 Å²	61.9	19%	0.194	33%	0.33	C	S	.	.			trans	-98.1	139.9	-173.7	-69.4	56.3	0	0	0	111.6	D55 L56 A64 G93 V94 P97	D55-H59 PolarHBondContact O-CE1 2.85Å; L56-H59 HydrophobicContact CB-CB 4.29Å; L56-H59 HydrophobicContact CD2-CB 4.41Å; L56-H59 PolarHBondContact O-N 3.27Å; L56-H59 VanDerWaalsContact O-N 3.16Å; H59-A64 HydrophobicContact CB-CB 3.68Å; H59-G93 PolarHBondContact CD2-O 3.2Å; H59-V94 PolarHBondContact NE2-O 2.7Å; H59-P97 CarbonylContact C-O 3.39Å; H59-P97 WeakPolarHBondContact CA-O 3.47Å; H59-P97 VanDerWaalsContact CD2-CA 3.46Å; H59-P97 WeakPolarHBondContact CD2-CA 3.42Å
60	N	96	Very high	97.7	Very high	97 Å²	97	64.4 Å²	64.4	52%	0.519	35%	0.351	S	S	.	.			trans	-131.6	71.7	177.6	-176.7	24.2	0	0	0	109.8	P97 K103	N60-P97 PolarHBondContact N-O 2.95Å; N60-K103 WeakPolarHBondContact OD1-CE 3.44Å
61	N	97.1	Very high	97.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-138.6	162.4	170.2	60.9	58.6	0	0	0	109.5	M63 A64 S65 G93 N96 T104	N61-M63 VanDerWaalsContact C-N 3.35Å; N61-M63 PolarHBondContact O-N 3.26Å; N61-M63 PolarHBondContact OD1-N 3.06Å; N61-A64 PolarHBondContact O-N 3.15Å; N61-A64 VanDerWaalsContact OD1-CB 3.3Å; N61-A64 WeakPolarHBondContact OD1-CB 3.33Å; N61-A64 PolarHBondContact OD1-N 2.82Å; N61-S65 PolarHBondContact O-N 2.88Å; N61-S65 VanDerWaalsContact O-N 3.17Å; N61-S65 PolarHBondContact O-OG 3.07Å; N61-G93 PolarHBondContact ND2-O 3.17Å; N61-N96 PolarHBondContact ND2-O 3.34Å; N61-T104 CarbonylContact C-O 3.55Å; N61-T104 VanDerWaalsContact CA-O 3.29Å; N61-T104 WeakPolarHBondContact CA-O 3.27Å; N61-T104 WeakPolarHBondContact CB-O 3.25Å; N61-T104 WeakPolarHBondContact CB-OG1 3.48Å
62	C	97.6	Very high	97.9	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.014	30%	0.302	C	S	.	.	H	α-helix	trans	-61.5	-42.3	-175.1	-56.7	0	0	0	0	111.8	A64 S65 H66 T104 V105 V125 E128	C62-A64 PolarHBondContact O-N 3.24Å; C62-S65 WeakPolarHBondContact O-CB 3.34Å; C62-S65 PolarHBondContact O-N 2.74Å; C62-S65 VanDerWaalsContact O-N 3.08Å; C62-H66 PolarHBondContact O-CD2 3.01Å; C62-H66 VanDerWaalsContact O-CD2 3.29Å; C62-H66 PolarHBondContact O-N 3.33Å; C62-T104 PolarHBondContact N-O 3.28Å; C62-T104 PolarHBondContact SG-O 2.94Å; C62-V105 WeakPolarHBondContact CB-O 3.42Å; C62-V105 PolarHBondContact N-O 3.04Å; C62-V125 HydrophobicContact CB-CG1 3.88Å; C62-V125 HydrophobicContact CB-CG2 4.46Å; C62-E128 PolarHBondContact SG-OE1 2.87Å
63	M	98.6	Very high	98	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-55.6	-50.7	177.2	179.5	-77.5	-67.4	0	0	111.2	L56 N61 S65 H66 L67 I90 V94 V105 G106 M107 L121	L56-M63 HydrophobicContact CD1-CE 4.35Å; L56-M63 HydrophobicContact CD1-SD 4.14Å; L56-M63 HydrophobicContact CD2-CE 4.38Å; N61-M63 VanDerWaalsContact C-N 3.35Å; N61-M63 PolarHBondContact O-N 3.26Å; N61-M63 PolarHBondContact OD1-N 3.06Å; M63-S65 PolarHBondContact O-N 3.01Å; M63-H66 PolarHBondContact O-N 3.19Å; M63-L67 WeakPolarHBondContact O-CB 3.48Å; M63-L67 PolarHBondContact O-N 2.73Å; M63-L67 HydrophobicContact SD-CB 4.03Å; M63-L67 HydrophobicContact SD-CD2 4.02Å; M63-I90 HydrophobicContact CE-CB 4.02Å; M63-I90 HydrophobicContact CG-CB 4.04Å; M63-I90 HydrophobicContact CG-CG2 3.74Å; M63-I90 HydrophobicContact SD-CB 3.98Å; M63-I90 HydrophobicContact SD-CG2 4.06Å; M63-V94 HydrophobicContact CE-CG2 4.14Å; M63-V105 WeakPolarHBondContact CB-O 3.22Å; M63-V105 PolarHBondContact N-O 2.66Å; M63-G106 WeakPolarHBondContact CB-O 3.45Å; M63-M107 HydrophobicContact CB-CB 4.22Å; M63-M107 HydrophobicContact CB-CG 4.23Å; M63-M107 HydrophobicContact CB-SD 4.24Å; M63-M107 HydrophobicContact CG-CB 4.12Å; M63-M107 HydrophobicContact CG-CG 4.43Å; M63-M107 HydrophobicContact CG-SD 4.17Å; M63-L121 HydrophobicContact CG-CD2 4.4Å
64	A	98.4	Very high	98	Very high	21 Å²	21	59.5 Å²	59.5	17%	0.174	32%	0.317	C	S	.	.	H	α-helix	trans	-65.2	-24.6	178.8	0	0	0	0	0	113.6	L56 H59 N61 C62 H66	L56-A64 HydrophobicContact CB-CB 4.22Å; L56-A64 HydrophobicContact CD1-CB 3.97Å; L56-A64 HydrophobicContact CD2-CB 4.48Å; L56-A64 HydrophobicContact CG-CB 4.46Å; H59-A64 HydrophobicContact CB-CB 3.68Å; N61-A64 PolarHBondContact O-N 3.15Å; N61-A64 VanDerWaalsContact OD1-CB 3.3Å; N61-A64 WeakPolarHBondContact OD1-CB 3.33Å; N61-A64 PolarHBondContact OD1-N 2.82Å; C62-A64 PolarHBondContact O-N 3.24Å; A64-H66 VanDerWaalsContact C-N 3.27Å; A64-H66 PolarHBondContact O-N 2.9Å
65	S	98.1	Very high	97.9	Very high	59 Å²	59	58.6 Å²	58.6	41%	0.413	31%	0.311	S	S	.	.	H	α-helix	trans	-73.9	-19.8	176.2	-53.3	0	0	0	0	112.5	N61 C62 M63 K103 E128	N61-S65 PolarHBondContact O-N 2.88Å; N61-S65 VanDerWaalsContact O-N 3.17Å; N61-S65 PolarHBondContact O-OG 3.07Å; C62-S65 WeakPolarHBondContact O-CB 3.34Å; C62-S65 PolarHBondContact O-N 2.74Å; C62-S65 VanDerWaalsContact O-N 3.08Å; M63-S65 PolarHBondContact O-N 3.01Å; S65-K103 PolarHBondContact OG-NZ 3.48Å; S65-K103 VanDerWaalsContact OG-NZ 3.12Å; S65-E128 WeakPolarHBondContact CB-OE2 3.38Å
66	H	98.5	Very high	97.8	Very high	53 Å²	53	54.4 Å²	54.4	25%	0.245	29%	0.289	C	S	.	.	H	α-helix	trans	-122.4	-17.5	-173	-69.6	-62.2	0	0	0	114.9	C62 M63 A64 T68 I71 L121 P124 V125 E128	C62-H66 PolarHBondContact O-CD2 3.01Å; C62-H66 VanDerWaalsContact O-CD2 3.29Å; C62-H66 PolarHBondContact O-N 3.33Å; M63-H66 PolarHBondContact O-N 3.19Å; A64-H66 VanDerWaalsContact C-N 3.27Å; A64-H66 PolarHBondContact O-N 2.9Å; H66-T68 PolarHBondContact O-N 2.9Å; H66-I71 WeakPolarHBondContact O-CD1 3.46Å; H66-L121 HydrophobicContact CB-CD1 4.16Å; H66-P124 HydrophobicContact CB-CB 4.35Å; H66-P124 HydrophobicContact CB-CG 4.32Å; H66-P124 PolarHBondContact NE2-O 3.13Å; H66-V125 HydrophobicContact CB-CG2 4.08Å; H66-E128 IonicContact CD2-OE2 3.35Å; H66-E128 WeakPolarHBondContact NE2-CB 3.39Å; H66-E128 IonicContact NE2-OE2 2.92Å; H66-E128 PolarHBondContact NE2-OE2 3.08Å
67	L	98.8	Very high	97.6	Very high	11 Å²	11	58.9 Å²	58.9	6%	0.058	31%	0.313	C	S	.	.			trans	-67.9	128.4	174.3	-170	68.8	0	0	0	109.9	Y53 P54 L56 M63 I71 Y72 I90 L121	Y53-L67 HydrophobicContact CE2-CD2 4.07Å; Y53-L67 HydrophobicContact CE2-CG 4Å; Y53-L67 PolarHBondContact OH-O 2.79Å; P54-L67 HydrophobicContact CG-CD2 3.65Å; L56-L67 HydrophobicContact CD1-CB 4.37Å; L56-L67 HydrophobicContact CD1-CD2 3.86Å; M63-L67 WeakPolarHBondContact O-CB 3.48Å; M63-L67 PolarHBondContact O-N 2.73Å; M63-L67 HydrophobicContact SD-CB 4.03Å; M63-L67 HydrophobicContact SD-CD2 4.02Å; L67-I71 HydrophobicContact CD1-CG2 4.34Å; L67-Y72 HydrophobicContact CD1-CD2 4.26Å; L67-Y72 HydrophobicContact CD2-CD2 4.3Å; L67-I90 HydrophobicContact CD2-CD1 4Å; L67-L121 HydrophobicContact CB-CD1 4.18Å; L67-L121 HydrophobicContact CD1-CD1 4.12Å; L67-L121 HydrophobicContact CD1-CD2 3.83Å
68	T	98.6	Very high	97.5	Very high	57 Å²	57	52.8 Å²	52.8	35%	0.35	29%	0.292	S	S	.	.			trans	-126.7	156.7	174.9	66.2	0	0	0	0	110	Y53 H66 A70 I71 Y72	Y53-T68 VanDerWaalsContact CE2-C 3.46Å; Y53-T68 WeakPolarHBondContact OH-CA 3.48Å; H66-T68 PolarHBondContact O-N 2.9Å; T68-A70 PolarHBondContact O-N 3.44Å; T68-A70 VanDerWaalsContact O-N 3.14Å; T68-I71 HydrophobicContact CG2-CD1 4.39Å; T68-I71 PolarHBondContact O-N 3.37Å; T68-I71 VanDerWaalsContact O-N 3.12Å; T68-I71 WeakPolarHBondContact OG1-CG1 3.46Å; T68-I71 PolarHBondContact OG1-N 2.99Å; T68-I71 VanDerWaalsContact OG1-N 3.16Å; T68-Y72 WeakPolarHBondContact O-CB 3.42Å; T68-Y72 PolarHBondContact O-N 2.96Å
69	P	98.4	Very high	97.5	Very high	86 Å²	86	47.4 Å²	47.4	56%	0.558	28%	0.275	S	S	*	.	H	α-helix	trans	-53.9	-34.8	175.5	-29	36.5	0	0	0	113.5	Y53 A73	Y53-P69 HydrophobicContact CE1-CG 4.43Å; Y53-P69 HydrophobicContact CE2-CB 4.38Å; Y53-P69 HydrophobicContact CE2-CG 4.18Å; P69-A73 VanDerWaalsContact O-CB 3.25Å; P69-A73 WeakPolarHBondContact O-CB 3.11Å; P69-A73 PolarHBondContact O-N 2.87Å
70	A	98.4	Very high	97.6	Very high	74 Å²	74	45.6 Å²	45.6	61%	0.612	27%	0.267	S	S	*	.	H	α-helix	trans	-69.9	-46	177.2	0	0	0	0	0	112.4	T68 K74	T68-A70 PolarHBondContact O-N 3.44Å; T68-A70 VanDerWaalsContact O-N 3.14Å; A70-K74 WeakPolarHBondContact O-CB 3.44Å; A70-K74 PolarHBondContact O-N 3.41Å
71	I	98.6	Very high	97.6	Very high	34 Å²	34	45.8 Å²	45.8	17%	0.174	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-45.3	176.4	-70.5	169.4	0	0	0	110.1	H66 L67 T68 K74 L75 L121	H66-I71 WeakPolarHBondContact O-CD1 3.46Å; L67-I71 HydrophobicContact CD1-CG2 4.34Å; T68-I71 HydrophobicContact CG2-CD1 4.39Å; T68-I71 PolarHBondContact O-N 3.37Å; T68-I71 VanDerWaalsContact O-N 3.12Å; T68-I71 WeakPolarHBondContact OG1-CG1 3.46Å; T68-I71 PolarHBondContact OG1-N 2.99Å; T68-I71 VanDerWaalsContact OG1-N 3.16Å; I71-K74 WeakPolarHBondContact O-CB 3.16Å; I71-K74 PolarHBondContact O-N 2.96Å; I71-L75 HydrophobicContact CG2-CD1 3.77Å; I71-L75 HydrophobicContact CG2-CG 4.38Å; I71-L75 WeakPolarHBondContact O-CB 3.48Å; I71-L75 WeakPolarHBondContact O-CG 3.24Å; I71-L75 PolarHBondContact O-N 2.86Å; I71-L121 HydrophobicContact CG2-CB 3.98Å; I71-L121 HydrophobicContact CG2-CD1 4.42Å
72	Y	98.6	Very high	97.6	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-58.4	-55.5	177.1	-171.7	-99.3	0	0	0	110.5	R45 A49 E52 Y53 L67 T68 K74 L75 V76 L86 D87 I90	R45-Y72 PolarHBondContact NH1-OH 2.66Å; A49-Y72 HydrophobicContact CB-CD1 4.31Å; A49-Y72 WeakPolarHBondContact O-CE1 3.33Å; E52-Y72 HydrophobicContact CB-CE1 4.12Å; E52-Y72 WeakPolarHBondContact CB-OH 3.3Å; E52-Y72 PolarHBondContact O-OH 3.41Å; Y53-Y72 AromaticContact CD2-CD1 3.74Å; Y53-Y72 HydrophobicContact CD2-CD1 3.74Å; Y53-Y72 HydrophobicContact CD2-CD2 4.26Å; Y53-Y72 AromaticContact CD2-CG 3.57Å; Y53-Y72 HydrophobicContact CD2-CG 3.57Å; Y53-Y72 HydrophobicContact CE2-CG 4.06Å; L67-Y72 HydrophobicContact CD1-CD2 4.26Å; L67-Y72 HydrophobicContact CD2-CD2 4.3Å; T68-Y72 WeakPolarHBondContact O-CB 3.42Å; T68-Y72 PolarHBondContact O-N 2.96Å; Y72-K74 PolarHBondContact O-N 3.2Å; Y72-K74 VanDerWaalsContact O-N 3.1Å; Y72-L75 PolarHBondContact O-N 3.22Å; Y72-V76 HydrophobicContact CD1-CB 4.14Å; Y72-V76 HydrophobicContact CD1-CG2 4.1Å; Y72-V76 HydrophobicContact CE1-CB 3.98Å; Y72-V76 HydrophobicContact CE1-CG2 3.43Å; Y72-V76 VanDerWaalsContact CE1-CG2 3.43Å; Y72-V76 HydrophobicContact CE2-CG2 4.2Å; Y72-V76 VanDerWaalsContact CZ-CG2 3.47Å; Y72-V76 WeakPolarHBondContact O-CB 3.4Å; Y72-V76 VanDerWaalsContact O-CG1 3.29Å; Y72-V76 WeakPolarHBondContact O-CG1 3.4Å; Y72-V76 PolarHBondContact O-N 3.4Å; Y72-V76 WeakPolarHBondContact OH-CG2 3.28Å; Y72-L86 HydrophobicContact CD2-CD2 3.62Å; Y72-L86 HydrophobicContact CE2-CD2 3.95Å; Y72-L86 HydrophobicContact CG-CD2 4.4Å; Y72-D87 VanDerWaalsContact CE2-OD1 3.23Å; Y72-D87 WeakPolarHBondContact CE2-OD1 3.17Å; Y72-D87 PolarHBondContact OH-OD1 3.01Å; Y72-D87 PolarHBondContact OH-OD2 2.94Å; Y72-I90 HydrophobicContact CD2-CD1 4.5Å; Y72-I90 HydrophobicContact CE2-CD1 4.18Å
73	A	97.5	Very high	97.5	Very high	53 Å²	53	52.4 Å²	52.4	44%	0.438	32%	0.319	S	S	.	.	H	α-helix	trans	-57.4	-29.7	178.5	0	0	0	0	0	114.1	A49 P69	A49-A73 HydrophobicContact CB-CB 3.77Å; P69-A73 VanDerWaalsContact O-CB 3.25Å; P69-A73 WeakPolarHBondContact O-CB 3.11Å; P69-A73 PolarHBondContact O-N 2.87Å
74	K	97.6	Very high	97.5	Very high	117 Å²	117	52.8 Å²	52.8	51%	0.509	32%	0.32	S	S	.	.	H	α-helix	trans	-73.3	-34.4	175.9	-174.8	-176.2	-178.8	-168.3	0	113.2	A70 I71 Y72 D120	A70-K74 WeakPolarHBondContact O-CB 3.44Å; A70-K74 PolarHBondContact O-N 3.41Å; I71-K74 WeakPolarHBondContact O-CB 3.16Å; I71-K74 PolarHBondContact O-N 2.96Å; Y72-K74 PolarHBondContact O-N 3.2Å; Y72-K74 VanDerWaalsContact O-N 3.1Å; K74-D120 VanDerWaalsContact CD-OD2 3.3Å; K74-D120 WeakPolarHBondContact CD-OD2 3.13Å; K74-D120 WeakPolarHBondContact CE-OD2 3.39Å; K74-D120 IonicContact NZ-OD1 2.98Å; K74-D120 PolarHBondContact NZ-OD1 2.88Å; K74-D120 IonicContact NZ-OD2 2.66Å; K74-D120 PolarHBondContact NZ-OD2 3.01Å
75	L	97.4	Very high	97.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-106.9	-20.9	-168.7	-65.3	-175.6	0	0	0	114.1	I71 Y72 D77 K78 L86 F118 D120 L121	I71-L75 HydrophobicContact CG2-CD1 3.77Å; I71-L75 HydrophobicContact CG2-CG 4.38Å; I71-L75 WeakPolarHBondContact O-CB 3.48Å; I71-L75 WeakPolarHBondContact O-CG 3.24Å; I71-L75 PolarHBondContact O-N 2.86Å; Y72-L75 PolarHBondContact O-N 3.22Å; L75-D77 VanDerWaalsContact C-N 3.27Å; L75-D77 PolarHBondContact O-N 3.4Å; L75-K78 HydrophobicContact CD2-CD 3.96Å; L75-K78 WeakPolarHBondContact O-CB 3.42Å; L75-K78 PolarHBondContact O-N 3.05Å; L75-L86 HydrophobicContact CB-CD1 4.33Å; L75-L86 HydrophobicContact CB-CD2 3.72Å; L75-L86 HydrophobicContact CB-CG 4.45Å; L75-L86 HydrophobicContact CD1-CD1 4.23Å; L75-F118 HydrophobicContact CB-CD1 4.47Å; L75-F118 HydrophobicContact CD1-CB 4.43Å; L75-D120 HydrophobicContact CD1-CB 4.22Å; L75-D120 HydrophobicContact CD2-CB 4.46Å; L75-L121 HydrophobicContact CD1-CB 4Å
76	V	95.9	Very high	97.5	Very high	4 Å²	4	50 Å²	50	2%	0.024	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-29.9	-169.9	65.8	0	0	0	0	114.8	R45 A49 Y72	R45-V76 VanDerWaalsContact NE-CG2 3.32Å; R45-V76 PolarHBondContact NE-O 3.39Å; R45-V76 PolarHBondContact NH2-O 3.41Å; A49-V76 HydrophobicContact CB-CG1 3.77Å; Y72-V76 HydrophobicContact CD1-CB 4.14Å; Y72-V76 HydrophobicContact CD1-CG2 4.1Å; Y72-V76 HydrophobicContact CE1-CB 3.98Å; Y72-V76 HydrophobicContact CE1-CG2 3.43Å; Y72-V76 VanDerWaalsContact CE1-CG2 3.43Å; Y72-V76 HydrophobicContact CE2-CG2 4.2Å; Y72-V76 VanDerWaalsContact CZ-CG2 3.47Å; Y72-V76 WeakPolarHBondContact O-CB 3.4Å; Y72-V76 VanDerWaalsContact O-CG1 3.29Å; Y72-V76 WeakPolarHBondContact O-CG1 3.4Å; Y72-V76 PolarHBondContact O-N 3.4Å; Y72-V76 WeakPolarHBondContact OH-CG2 3.28Å
77	D	93.9	Very high	97.5	Very high	118 Å²	118	49.4 Å²	49.4	63%	0.631	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-0.8	177.5	-69.1	-35.5	0	0	0	112.8	R45 L75	R45-D77 WeakPolarHBondContact CD-OD1 3.46Å; R45-D77 IonicContact NE-OD1 3.88Å; L75-D77 VanDerWaalsContact C-N 3.27Å; L75-D77 PolarHBondContact O-N 3.4Å
78	K	95.6	Very high	97.5	Very high	86 Å²	86	53.1 Å²	53.1	37%	0.374	32%	0.315	S	S	.	.			trans	-83.9	144.4	174.9	-62.3	-169	177.6	-171.8	0	110.6	L75 V117 F118	L75-K78 HydrophobicContact CD2-CD 3.96Å; L75-K78 WeakPolarHBondContact O-CB 3.42Å; L75-K78 PolarHBondContact O-N 3.05Å; K78-V117 HydrophobicContact CB-CG1 3.8Å; K78-V117 HydrophobicContact CD-CG1 4.15Å; K78-F118 HydrophobicContact CB-CE1 4.28Å
79	T	96.7	Very high	97.5	Very high	80 Å²	80	50.4 Å²	50.4	49%	0.491	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-132.1	153.1	169.8	59.9	0	0	0	0	109.9	Y84	T79-Y84 CarbonylContact C-O 3.59Å; T79-Y84 VanDerWaalsContact CA-O 3.27Å; T79-Y84 WeakPolarHBondContact CA-O 3.31Å
80	T	98.2	Very high	97.5	Very high	4 Å²	4	46.5 Å²	46.5	3%	0.025	27%	0.273	C	S	.	.			trans	-69.4	169.1	168	69.2	0	0	0	0	110	N82 G83 Y84 D111 E113 V117 F118	T80-N82 PolarHBondContact O-N 3Å; T80-G83 PolarHBondContact O-N 2.64Å; T80-Y84 PolarHBondContact N-O 2.92Å; T80-Y84 VanDerWaalsContact OG1-CB 3.27Å; T80-Y84 WeakPolarHBondContact OG1-CB 3.23Å; T80-Y84 PolarHBondContact OG1-N 3.12Å; T80-D111 WeakPolarHBondContact CB-OD2 3.46Å; T80-D111 WeakPolarHBondContact CG2-OD1 3.34Å; T80-D111 PolarHBondContact OG1-OD2 2.8Å; T80-E113 HydrophobicContact CG2-CB 4.47Å; T80-V117 HydrophobicContact CG2-CB 4.39Å; T80-V117 HydrophobicContact CG2-CG2 4.29Å; T80-F118 HydrophobicContact CG2-CE2 3.84Å; T80-F118 HydrophobicContact CG2-CZ 4.23Å
81	P	97.9	Very high	97.5	Very high	100 Å²	100	46.5 Å²	46.5	65%	0.649	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-33	176.2	-28	37.3	0	0	0	113.7	G83 E113	P81-G83 VanDerWaalsContact C-N 3.3Å; P81-G83 PolarHBondContact O-N 3.11Å; P81-E113 HydrophobicContact CG-CB 4.46Å; P81-E113 HydrophobicContact CG-CG 3.98Å
82	N	95.2	Very high	97.5	Very high	100 Å²	100	45.2 Å²	45.2	54%	0.535	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	8.1	178.3	-66.4	-21.3	0	0	0	113.6	T80 S174	T80-N82 PolarHBondContact O-N 3Å; N82-S174 PolarHBondContact ND2-OG 3.27Å
83	G	96.6	Very high	97.5	Very high	41 Å²	41	45.2 Å²	45.2	42%	0.423	25%	0.254	S	S	.	.			trans	81.5	13.3	175.2	0	0	0	0	0	114.9	T80 P81	T80-G83 PolarHBondContact O-N 2.64Å; P81-G83 VanDerWaalsContact C-N 3.3Å; P81-G83 PolarHBondContact O-N 3.11Å
84	Y	98.2	Very high	97.5	Very high	8 Å²	8	44.4 Å²	44.4	3%	0.031	24%	0.244	C	C	.	.			trans	-70.9	133.4	173.5	-157.7	-110.5	0	0	0	109.9	T79 T80 Q88 A89 F118 P177 A178	T79-Y84 CarbonylContact C-O 3.59Å; T79-Y84 VanDerWaalsContact CA-O 3.27Å; T79-Y84 WeakPolarHBondContact CA-O 3.31Å; T80-Y84 PolarHBondContact N-O 2.92Å; T80-Y84 VanDerWaalsContact OG1-CB 3.27Å; T80-Y84 WeakPolarHBondContact OG1-CB 3.23Å; T80-Y84 PolarHBondContact OG1-N 3.12Å; Y84-Q88 HydrophobicContact CD2-CB 4.09Å; Y84-Q88 HydrophobicContact CE1-CB 4.18Å; Y84-Q88 HydrophobicContact CE2-CB 3.6Å; Y84-Q88 HydrophobicContact CE2-CG 4.39Å; Y84-Q88 PolarHBondContact OH-O 3.48Å; Y84-A89 HydrophobicContact CE1-CB 3.91Å; Y84-F118 HydrophobicContact CD1-CE2 4.46Å; Y84-P177 HydrophobicContact CE2-CB 4.28Å; Y84-P177 WeakPolarHBondContact OH-CB 3.32Å; Y84-A178 HydrophobicContact CD2-CB 3.47Å; Y84-A178 VanDerWaalsContact CD2-CB 3.47Å; Y84-A178 HydrophobicContact CE2-CB 3.71Å; Y84-A178 HydrophobicContact CG-CB 4.34Å
85	S	98.1	Very high	97.6	Very high	23 Å²	23	42.5 Å²	42.5	16%	0.161	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-112.1	164	-171.9	64.6	0	0	0	0	112.6	D87 Q88 A89	S85-D87 VanDerWaalsContact C-N 3.31Å; S85-D87 PolarHBondContact O-N 3.33Å; S85-Q88 PolarHBondContact O-N 3.11Å; S85-Q88 WeakPolarHBondContact OG-CG 3.47Å; S85-Q88 PolarHBondContact OG-N 3.34Å; S85-Q88 PolarHBondContact OG-OE1 3.32Å; S85-A89 PolarHBondContact O-N 3.32Å; S85-A89 VanDerWaalsContact O-N 3.08Å
86	L	98.4	Very high	97.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.3	-43.2	174.8	-179.6	68.7	0	0	0	112.2	Y72 L75 Q88 A89 I90 F118 L121	Y72-L86 HydrophobicContact CD2-CD2 3.62Å; Y72-L86 HydrophobicContact CE2-CD2 3.95Å; Y72-L86 HydrophobicContact CG-CD2 4.4Å; L75-L86 HydrophobicContact CB-CD1 4.33Å; L75-L86 HydrophobicContact CB-CD2 3.72Å; L75-L86 HydrophobicContact CB-CG 4.45Å; L75-L86 HydrophobicContact CD1-CD1 4.23Å; L86-Q88 VanDerWaalsContact C-N 3.33Å; L86-Q88 PolarHBondContact O-N 3.3Å; L86-A89 WeakPolarHBondContact O-CB 3.4Å; L86-A89 PolarHBondContact O-N 3.25Å; L86-A89 VanDerWaalsContact O-N 3.08Å; L86-I90 HydrophobicContact CD1-CG2 4.13Å; L86-I90 HydrophobicContact CG-CG2 4.49Å; L86-I90 WeakPolarHBondContact O-CG1 3.31Å; L86-I90 PolarHBondContact O-N 2.92Å; L86-F118 HydrophobicContact CB-CD1 4.24Å; L86-F118 HydrophobicContact CB-CE1 3.99Å; L86-F118 HydrophobicContact CD1-CD1 4.13Å; L86-F118 HydrophobicContact CD1-CG 4.42Å; L86-L121 HydrophobicContact CD1-CD2 3.86Å
87	D	98.4	Very high	97.5	Very high	40 Å²	40	46.2 Å²	46.2	21%	0.214	26%	0.263	C	S	.	.	H	α-helix	trans	-63.6	-41.5	-177.3	-73.4	-18.7	0	0	0	111	R45 Y72 S85 A89 I90 Q91	R45-D87 IonicContact CZ-OD2 3.81Å; R45-D87 IonicContact NH1-OD2 3.43Å; R45-D87 PolarHBondContact NH1-OD2 2.73Å; R45-D87 IonicContact NH2-OD1 2.86Å; R45-D87 IonicContact NH2-OD2 2.67Å; R45-D87 PolarHBondContact NH2-OD2 3.1Å; Y72-D87 VanDerWaalsContact CE2-OD1 3.23Å; Y72-D87 WeakPolarHBondContact CE2-OD1 3.17Å; Y72-D87 PolarHBondContact OH-OD1 3.01Å; Y72-D87 PolarHBondContact OH-OD2 2.94Å; S85-D87 VanDerWaalsContact C-N 3.31Å; S85-D87 PolarHBondContact O-N 3.33Å; D87-A89 VanDerWaalsContact C-N 3.31Å; D87-A89 PolarHBondContact O-N 3.4Å; D87-I90 PolarHBondContact O-N 2.82Å; D87-Q91 WeakPolarHBondContact O-CB 3.45Å; D87-Q91 PolarHBondContact O-N 3.23Å
88	Q	98.6	Very high	97.2	Very high	88 Å²	88	42 Å²	42	41%	0.411	25%	0.248	S	C	.	.	H	α-helix	trans	-61.3	-40.5	172.9	-68.6	167.1	-65.9	0	0	111.7	Y84 S85 L86 I90	Y84-Q88 HydrophobicContact CD2-CB 4.09Å; Y84-Q88 HydrophobicContact CE1-CB 4.18Å; Y84-Q88 HydrophobicContact CE2-CB 3.6Å; Y84-Q88 HydrophobicContact CE2-CG 4.39Å; Y84-Q88 PolarHBondContact OH-O 3.48Å; S85-Q88 PolarHBondContact O-N 3.11Å; S85-Q88 WeakPolarHBondContact OG-CG 3.47Å; S85-Q88 PolarHBondContact OG-N 3.34Å; S85-Q88 PolarHBondContact OG-OE1 3.32Å; L86-Q88 VanDerWaalsContact C-N 3.33Å; L86-Q88 PolarHBondContact O-N 3.3Å; Q88-I90 PolarHBondContact O-N 3.41Å
89	A	98.7	Very high	96.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-41	178.4	0	0	0	0	0	112.5	Y84 S85 L86 D87 M107 V108	Y84-A89 HydrophobicContact CE1-CB 3.91Å; S85-A89 PolarHBondContact O-N 3.32Å; S85-A89 VanDerWaalsContact O-N 3.08Å; L86-A89 WeakPolarHBondContact O-CB 3.4Å; L86-A89 PolarHBondContact O-N 3.25Å; L86-A89 VanDerWaalsContact O-N 3.08Å; D87-A89 VanDerWaalsContact C-N 3.31Å; D87-A89 PolarHBondContact O-N 3.4Å; A89-M107 CarbonylContact O-C 3.55Å; A89-M107 WeakPolarHBondContact O-CA 3.25Å; A89-M107 VanDerWaalsContact O-CB 3.23Å; A89-M107 WeakPolarHBondContact O-CB 3.49Å; A89-V108 WeakPolarHBondContact CA-O 3.37Å; A89-V108 WeakPolarHBondContact CB-O 3.36Å; A89-V108 PolarHBondContact O-N 3.32Å
90	I	98.8	Very high	95.5	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-92.7	-11.2	-175.2	70.6	175.8	0	0	0	114.2	P54 M63 L67 Y72 L86 D87 Q88 T92 G93 V94 M107 L121	P54-I90 HydrophobicContact CG-CD1 4.24Å; M63-I90 HydrophobicContact CE-CB 4.02Å; M63-I90 HydrophobicContact CG-CB 4.04Å; M63-I90 HydrophobicContact CG-CG2 3.74Å; M63-I90 HydrophobicContact SD-CB 3.98Å; M63-I90 HydrophobicContact SD-CG2 4.06Å; L67-I90 HydrophobicContact CD2-CD1 4Å; Y72-I90 HydrophobicContact CD2-CD1 4.5Å; Y72-I90 HydrophobicContact CE2-CD1 4.18Å; L86-I90 HydrophobicContact CD1-CG2 4.13Å; L86-I90 HydrophobicContact CG-CG2 4.49Å; L86-I90 WeakPolarHBondContact O-CG1 3.31Å; L86-I90 PolarHBondContact O-N 2.92Å; D87-I90 PolarHBondContact O-N 2.82Å; Q88-I90 PolarHBondContact O-N 3.41Å; I90-T92 VanDerWaalsContact C-N 3.29Å; I90-T92 PolarHBondContact O-N 3.03Å; I90-T92 VanDerWaalsContact O-N 3.16Å; I90-G93 WeakPolarHBondContact O-CA 3.39Å; I90-G93 PolarHBondContact O-N 2.98Å; I90-V94 HydrophobicContact CD1-CG2 4.23Å; I90-V94 HydrophobicContact CG1-CG2 4.11Å; I90-V94 PolarHBondContact O-N 3.04Å; I90-V94 VanDerWaalsContact O-N 3.07Å; I90-M107 HydrophobicContact CG2-CB 4.41Å; I90-M107 HydrophobicContact CG2-CE 4.37Å; I90-L121 HydrophobicContact CG2-CD2 3.81Å
91	Q	98.8	Very high	94.2	Very high	75 Å²	75	47.6 Å²	47.6	35%	0.35	28%	0.277	S	S	.	.	H	α-helix	trans	-51.4	-45.9	-170.5	-169.3	64	55.4	0	0	112.9	D87 G93 V94 D95	D87-Q91 WeakPolarHBondContact O-CB 3.45Å; D87-Q91 PolarHBondContact O-N 3.23Å; Q91-G93 VanDerWaalsContact C-N 3.25Å; Q91-G93 PolarHBondContact O-N 3Å; Q91-V94 PolarHBondContact O-N 2.94Å; Q91-D95 PolarHBondContact NE2-OD1 3.28Å; Q91-D95 PolarHBondContact NE2-OD2 3.36Å; Q91-D95 PolarHBondContact O-N 3.01Å
92	T	98.4	Very high	93.2	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.043	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-34.9	179.1	-170	0	0	0	0	112.6	I90 N96 V108 L234	I90-T92 VanDerWaalsContact C-N 3.29Å; I90-T92 PolarHBondContact O-N 3.03Å; I90-T92 VanDerWaalsContact O-N 3.16Å; T92-N96 WeakPolarHBondContact O-CB 3.5Å; T92-N96 PolarHBondContact O-N 3.43Å; T92-N96 PolarHBondContact O-ND2 3.5Å; T92-V108 HydrophobicContact CG2-CG1 4.27Å; T92-L234 WeakPolarHBondContact OG1-CA 3.49Å; T92-L234 PolarHBondContact OG1-O 3.42Å
93	G	98.4	Very high	92.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-77.5	-27.2	175.5	0	0	0	0	0	113.8	H59 N61 I90 Q91 G106	H59-G93 PolarHBondContact CD2-O 3.2Å; N61-G93 PolarHBondContact ND2-O 3.17Å; I90-G93 WeakPolarHBondContact O-CA 3.39Å; I90-G93 PolarHBondContact O-N 2.98Å; Q91-G93 VanDerWaalsContact C-N 3.25Å; Q91-G93 PolarHBondContact O-N 3Å; G93-G106 VanDerWaalsContact CA-CA 3.49Å; G93-G106 WeakPolarHBondContact CA-O 3.32Å; G93-G106 PolarHBondContact N-O 3.11Å
94	V	98.5	Very high	92.6	Very high	37 Å²	37	44.1 Å²	44.1	22%	0.224	24%	0.239	C	C	.	.	H	α-helix	trans	-70.3	-44.8	172.5	177.7	0	0	0	0	110.1	P54 L56 H59 M63 I90 Q91	P54-V94 HydrophobicContact CB-CG1 4.14Å; P54-V94 HydrophobicContact CB-CG2 3.81Å; P54-V94 HydrophobicContact CG-CG2 4.23Å; L56-V94 HydrophobicContact CD2-CG2 4.27Å; H59-V94 PolarHBondContact NE2-O 2.7Å; M63-V94 HydrophobicContact CE-CG2 4.14Å; I90-V94 HydrophobicContact CD1-CG2 4.23Å; I90-V94 HydrophobicContact CG1-CG2 4.11Å; I90-V94 PolarHBondContact O-N 3.04Å; I90-V94 VanDerWaalsContact O-N 3.07Å; Q91-V94 PolarHBondContact O-N 2.94Å
95	D	98.3	Very high	92.6	Very high	76 Å²	76	44.1 Å²	44.1	41%	0.406	24%	0.24	S	C	.	.	H	α-helix	trans	-74.2	-27.2	-177.6	-65.9	-10.4	0	0	0	112.7	Q91 P97 C237	Q91-D95 PolarHBondContact NE2-OD1 3.28Å; Q91-D95 PolarHBondContact NE2-OD2 3.36Å; Q91-D95 PolarHBondContact O-N 3.01Å; D95-P97 WeakPolarHBondContact O-CD 3.3Å; D95-C237 HydrophobicContact CB-CB 4.03Å; D95-C237 WeakPolarHBondContact OD2-CB 3.4Å; D95-C237 PolarHBondContact OD2-SG 3.42Å
96	N	97	Very high	92.5	Very high	18 Å²	18	43.3 Å²	43.3	10%	0.096	24%	0.235	C	C	.	.			trans	-114.3	93.6	-177.3	-60.8	-84.6	0	0	0	110.9	N61 T92 G98 P233 L234	N61-N96 PolarHBondContact ND2-O 3.34Å; T92-N96 WeakPolarHBondContact O-CB 3.5Å; T92-N96 PolarHBondContact O-N 3.43Å; T92-N96 PolarHBondContact O-ND2 3.5Å; N96-G98 PolarHBondContact O-N 2.93Å; N96-G98 VanDerWaalsContact O-N 3.1Å; N96-P233 PolarHBondContact ND2-O 3.31Å; N96-P233 WeakPolarHBondContact OD1-CB 3.47Å; N96-L234 HydrophobicContact CB-CD2 3.79Å
97	P	94.6	Very high	92.5	Very high	64 Å²	64	43.4 Å²	43.4	42%	0.416	24%	0.235	S	C	.	.	S	Bend	trans	-66.4	-14.3	-177.3	26.6	-34.9	0	0	0	113.8	H59 N60 D95	H59-P97 CarbonylContact C-O 3.39Å; H59-P97 WeakPolarHBondContact CA-O 3.47Å; H59-P97 VanDerWaalsContact CD2-CA 3.46Å; H59-P97 WeakPolarHBondContact CD2-CA 3.42Å; N60-P97 PolarHBondContact N-O 2.95Å; D95-P97 WeakPolarHBondContact O-CD 3.3Å
98	G	87.9	Confident	92.6	Very high	31 Å²	31	42 Å²	42	32%	0.32	23%	0.228	S	C	.	.			trans	-177.4	-174.4	174.9	0	0	0	0	0	110.7	N96	N96-G98 PolarHBondContact O-N 2.93Å; N96-G98 VanDerWaalsContact O-N 3.1Å
99	H	81.9	Confident	92.6	Very high	39 Å²	39	37.8 Å²	37.8	18%	0.181	21%	0.208	C	C	.	.			trans	-136	143.2	174.5	-170.9	-97.3	0	0	0	109.9	F101 I102 T104 D359	H99-F101 AromaticContact CE1-CD2 3.87Å; H99-F101 PolarHBondContact O-N 3.31Å; H99-I102 HydrophobicContact CB-CG1 4.36Å; H99-I102 WeakPolarHBondContact CB-O 3.5Å; H99-T104 HydrophobicContact CB-CG2 3.5Å; H99-T104 VanDerWaalsContact CB-CG2 3.5Å; H99-D359 IonicContact CE1-OD1 2.76Å; H99-D359 PolarHBondContact CE1-OD1 3.44Å; H99-D359 IonicContact NE2-OD1 3.2Å; H99-D359 PolarHBondContact NE2-OD1 2.96Å
100	P	75.6	Confident	92.6	Very high	113 Å²	113	37.7 Å²	37.7	73%	0.734	21%	0.208	S	C	*	.	S	Bend	trans	-57.7	-26.1	-172.9	-28	35.9	0	0	0	115.4
101	F	70.7	Confident	92.6	Very high	134 Å²	134	37.7 Å²	37.7	59%	0.588	21%	0.208	S	C	*	.	S	Bend	trans	-117.1	-21.5	-170	-55.6	-62.5	0	0	0	115.5	H99	H99-F101 AromaticContact CE1-CD2 3.87Å; H99-F101 PolarHBondContact O-N 3.31Å
102	I	76.2	Confident	92.6	Very high	76 Å²	76	35.7 Å²	35.7	39%	0.39	20%	0.198	S	C	.	.	S	Bend	trans	-148	152.2	-170	59.2	170.4	0	0	0	111.6	H99 T104 V358	H99-I102 HydrophobicContact CB-CG1 4.36Å; H99-I102 WeakPolarHBondContact CB-O 3.5Å; I102-T104 HydrophobicContact CG1-CG2 4.37Å; I102-T104 PolarHBondContact O-N 2.96Å; I102-V358 HydrophobicContact CD1-CG2 3.99Å
103	K	86.9	Confident	92.6	Very high	82 Å²	82	38.7 Å²	38.7	36%	0.357	21%	0.212	S	C	.	.			trans	-71.9	121.5	163	-166.9	179.9	-173.4	-171	0	108.4	N60 S65 E128	N60-K103 WeakPolarHBondContact OD1-CE 3.44Å; S65-K103 PolarHBondContact OG-NZ 3.48Å; S65-K103 VanDerWaalsContact OG-NZ 3.12Å; K103-E128 WeakPolarHBondContact CE-OE1 3.29Å; K103-E128 VanDerWaalsContact NZ-CD 3.31Å; K103-E128 IonicContact NZ-OE1 2.6Å; K103-E128 PolarHBondContact NZ-OE1 3.37Å; K103-E128 IonicContact NZ-OE2 2.68Å; K103-E128 PolarHBondContact NZ-OE2 3.48Å
104	T	92.6	Very high	92.6	Very high	11 Å²	11	38.7 Å²	38.7	7%	0.067	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-88	163.7	180	54.5	0	0	0	0	111.3	N61 C62 H99 I102 L234	N61-T104 CarbonylContact C-O 3.55Å; N61-T104 VanDerWaalsContact CA-O 3.29Å; N61-T104 WeakPolarHBondContact CA-O 3.27Å; N61-T104 WeakPolarHBondContact CB-O 3.25Å; N61-T104 WeakPolarHBondContact CB-OG1 3.48Å; C62-T104 PolarHBondContact N-O 3.28Å; C62-T104 PolarHBondContact SG-O 2.94Å; H99-T104 HydrophobicContact CB-CG2 3.5Å; H99-T104 VanDerWaalsContact CB-CG2 3.5Å; I102-T104 HydrophobicContact CG1-CG2 4.37Å; I102-T104 PolarHBondContact O-N 2.96Å; T104-L234 HydrophobicContact CG2-CD1 3.85Å; T104-L234 HydrophobicContact CG2-CD2 4.2Å
105	V	96.9	Very high	92.6	Very high	8 Å²	8	37 Å²	37	5%	0.048	20%	0.202	C	C	.	.			trans	-71.2	-47.3	175.1	-179.2	0	0	0	0	110.9	C62 M63 M107 V125 R129 P317	C62-V105 WeakPolarHBondContact CB-O 3.42Å; C62-V105 PolarHBondContact N-O 3.04Å; M63-V105 WeakPolarHBondContact CB-O 3.22Å; M63-V105 PolarHBondContact N-O 2.66Å; V105-M107 HydrophobicContact CG1-CG 4.03Å; V105-V125 HydrophobicContact CG1-CG1 3.59Å; V105-R129 HydrophobicContact CG2-CG 4.05Å; V105-P317 HydrophobicContact CG1-CB 3.96Å; V105-P317 HydrophobicContact CG1-CG 3.83Å
106	G	97.7	Very high	92.7	Very high	5 Å²	5	40.6 Å²	40.6	5%	0.052	22%	0.216	C	C	.	.			trans	80.8	14	179.3	0	0	0	0	0	115	M63 G93	M63-G106 WeakPolarHBondContact CB-O 3.45Å; G93-G106 VanDerWaalsContact CA-CA 3.49Å; G93-G106 WeakPolarHBondContact CA-O 3.32Å; G93-G106 PolarHBondContact N-O 3.11Å
107	M	98.6	Very high	92.7	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	22%	0.22	C	C	.	.			trans	-155.7	159.6	169.8	62.5	-173.4	-53.5	0	0	111.6	M63 A89 I90 V105 L121 L122 V125 P317	M63-M107 HydrophobicContact CB-CB 4.22Å; M63-M107 HydrophobicContact CB-CG 4.23Å; M63-M107 HydrophobicContact CB-SD 4.24Å; M63-M107 HydrophobicContact CG-CB 4.12Å; M63-M107 HydrophobicContact CG-CG 4.43Å; M63-M107 HydrophobicContact CG-SD 4.17Å; A89-M107 CarbonylContact O-C 3.55Å; A89-M107 WeakPolarHBondContact O-CA 3.25Å; A89-M107 VanDerWaalsContact O-CB 3.23Å; A89-M107 WeakPolarHBondContact O-CB 3.49Å; I90-M107 HydrophobicContact CG2-CB 4.41Å; I90-M107 HydrophobicContact CG2-CE 4.37Å; V105-M107 HydrophobicContact CG1-CG 4.03Å; M107-L121 HydrophobicContact CE-CD2 3.78Å; M107-L121 HydrophobicContact CE-CG 4.03Å; M107-L121 HydrophobicContact SD-CD2 4.15Å; M107-L121 HydrophobicContact SD-CG 4.03Å; M107-L122 HydrophobicContact CE-CD1 4.33Å; M107-L122 HydrophobicContact CE-CD2 3.47Å; M107-L122 VanDerWaalsContact CE-CD2 3.47Å; M107-L122 HydrophobicContact CE-CG 3.54Å; M107-L122 HydrophobicContact CG-CD2 4.15Å; M107-L122 HydrophobicContact SD-CD2 3.66Å; M107-L122 HydrophobicContact SD-CG 4.18Å; M107-V125 HydrophobicContact CG-CG1 4.37Å; M107-V125 HydrophobicContact SD-CB 4.22Å; M107-V125 HydrophobicContact SD-CG1 4.09Å; M107-V125 HydrophobicContact SD-CG2 3.91Å; M107-P317 HydrophobicContact CG-CG 4.34Å; M107-P317 VanDerWaalsContact O-CD 3.3Å; M107-P317 WeakPolarHBondContact O-CD 3.42Å
108	V	98.8	Very high	92.9	Very high	10 Å²	10	38.2 Å²	38.2	6%	0.061	20%	0.201	C	C	.	.			trans	-135.5	155.7	179.9	-65	0	0	0	0	111.2	A89 T92 P177 T315	A89-V108 WeakPolarHBondContact CA-O 3.37Å; A89-V108 WeakPolarHBondContact CB-O 3.36Å; A89-V108 PolarHBondContact O-N 3.32Å; T92-V108 HydrophobicContact CG2-CG1 4.27Å; V108-P177 HydrophobicContact CB-CG 4.12Å; V108-P177 HydrophobicContact CG2-CB 4.11Å; V108-P177 HydrophobicContact CG2-CG 3.82Å; V108-T315 WeakPolarHBondContact CA-O 3.35Å; V108-T315 HydrophobicContact CB-CG2 4.12Å; V108-T315 HydrophobicContact CG1-CG2 4.32Å
109	A	98.9	Very high	93.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.			trans	-91.4	139.7	169.2	0	0	0	0	0	110.8	Y115 L175 T315	A109-Y115 HydrophobicContact CB-CD2 3.86Å; A109-Y115 HydrophobicContact CB-CE2 3.27Å; A109-L175 HydrophobicContact CB-CD1 3.86Å; A109-T315 PolarHBondContact N-O 2.85Å
110	G	98.7	Very high	94.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-93.4	-18.5	174.8	0	0	0	0	0	113.4	S114 S174 L175 A178	G110-S114 PolarHBondContact N-OG 2.87Å; G110-S174 CarbonylContact O-C 3.59Å; G110-S174 WeakPolarHBondContact O-CB 3.34Å; G110-L175 WeakPolarHBondContact O-CB 3.17Å; G110-L175 PolarHBondContact O-N 2.95Å; G110-A178 WeakPolarHBondContact O-CB 3.33Å
111	D	98.9	Very high	95.3	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.011	17%	0.165	C	C	.	.	S	Bend	trans	-162	176.8	-177.7	46.8	36.1	0	0	0	109.5	T80 E113 S114	T80-D111 WeakPolarHBondContact CB-OD2 3.46Å; T80-D111 WeakPolarHBondContact CG2-OD1 3.34Å; T80-D111 PolarHBondContact OG1-OD2 2.8Å; D111-E113 VanDerWaalsContact C-N 3.31Å; D111-E113 PolarHBondContact O-N 2.96Å; D111-S114 PolarHBondContact N-OG 2.95Å; D111-S114 WeakPolarHBondContact O-CB 3.47Å; D111-S114 PolarHBondContact O-N 3.3Å; D111-S114 PolarHBondContact O-OG 3.04Å; D111-S114 WeakPolarHBondContact OD1-CB 3.17Å; D111-S114 PolarHBondContact OD1-N 2.91Å; D111-S114 PolarHBondContact OD1-OG 2.68Å
112	E	98.8	Very high	96.7	Very high	33 Å²	33	26.9 Å²	26.9	15%	0.154	14%	0.137	C	C	.	.	S	Bend	trans	-63.9	-40.5	-178.5	-167.7	167.8	-168.9	0	0	110.7	S114 Y115 R171 M305 I313	E112-S114 VanDerWaalsContact C-N 3.27Å; E112-S114 PolarHBondContact O-N 3.06Å; E112-Y115 PolarHBondContact O-N 3.21Å; E112-R171 IonicContact OE1-CZ 3.69Å; E112-R171 IonicContact OE1-NE 3.61Å; E112-R171 PolarHBondContact OE1-NE 2.6Å; E112-R171 IonicContact OE1-NH2 2.75Å; E112-R171 PolarHBondContact OE1-NH2 2.83Å; E112-R171 IonicContact OE2-CZ 3.29Å; E112-R171 IonicContact OE2-NE 2.71Å; E112-R171 PolarHBondContact OE2-NE 2.83Å; E112-R171 IonicContact OE2-NH2 2.81Å; E112-M305 HydrophobicContact CB-CE 4.24Å; E112-M305 HydrophobicContact CB-CG 4.31Å; E112-M305 HydrophobicContact CB-SD 3.82Å; E112-M305 HydrophobicContact CG-CB 4.25Å; E112-M305 HydrophobicContact CG-CG 4.28Å; E112-M305 HydrophobicContact CG-SD 4.27Å; E112-I313 HydrophobicContact CG-CG1 4.41Å
113	E	98.8	Very high	97.7	Very high	71 Å²	71	23.9 Å²	23.9	33%	0.332	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-23.3	-177.1	-62.1	84.7	171.8	0	0	113.2	T80 P81 D111 Y115 E116 V117	T80-E113 HydrophobicContact CG2-CB 4.47Å; P81-E113 HydrophobicContact CG-CB 4.46Å; P81-E113 HydrophobicContact CG-CG 3.98Å; D111-E113 VanDerWaalsContact C-N 3.31Å; D111-E113 PolarHBondContact O-N 2.96Å; E113-Y115 PolarHBondContact O-N 3.4Å; E113-Y115 VanDerWaalsContact O-N 3.14Å; E113-E116 PolarHBondContact O-N 2.63Å; E113-V117 HydrophobicContact CB-CG2 4.5Å; E113-V117 WeakPolarHBondContact O-CG2 3.4Å; E113-V117 PolarHBondContact O-N 2.9Å
114	S	98.9	Very high	98.3	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.007	12%	0.116	C	C	.	.	H	α-helix	trans	-49.7	-39.2	173.1	-68.4	0	0	0	0	112	G110 D111 E112 E116 F118 L122	G110-S114 PolarHBondContact N-OG 2.87Å; D111-S114 PolarHBondContact N-OG 2.95Å; D111-S114 WeakPolarHBondContact O-CB 3.47Å; D111-S114 PolarHBondContact O-N 3.3Å; D111-S114 PolarHBondContact O-OG 3.04Å; D111-S114 WeakPolarHBondContact OD1-CB 3.17Å; D111-S114 PolarHBondContact OD1-N 2.91Å; D111-S114 PolarHBondContact OD1-OG 2.68Å; E112-S114 VanDerWaalsContact C-N 3.27Å; E112-S114 PolarHBondContact O-N 3.06Å; S114-E116 PolarHBondContact O-N 2.97Å; S114-F118 WeakPolarHBondContact O-CB 3.35Å; S114-F118 WeakPolarHBondContact O-CD2 3.37Å; S114-F118 PolarHBondContact O-N 3.14Å; S114-F118 VanDerWaalsContact O-N 3.13Å; S114-L122 VanDerWaalsContact O-CD1 3.31Å; S114-L122 WeakPolarHBondContact O-CD1 3.47Å
115	Y	98.8	Very high	98.6	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-71	-15.8	179.9	-75.4	-74.8	0	0	0	114.4	A109 E112 E113 L122 I126 R309 L310 I313 L314 P317 L320	A109-Y115 HydrophobicContact CB-CD2 3.86Å; A109-Y115 HydrophobicContact CB-CE2 3.27Å; E112-Y115 PolarHBondContact O-N 3.21Å; E113-Y115 PolarHBondContact O-N 3.4Å; E113-Y115 VanDerWaalsContact O-N 3.14Å; Y115-L122 HydrophobicContact CD1-CD1 3.78Å; Y115-L122 HydrophobicContact CD1-CD2 4.26Å; Y115-L122 HydrophobicContact CD1-CG 4.42Å; Y115-L122 HydrophobicContact CE1-CD1 4.24Å; Y115-L122 HydrophobicContact CE1-CD2 4.01Å; Y115-L122 HydrophobicContact CG-CD1 4.31Å; Y115-I126 HydrophobicContact CD1-CD1 4.24Å; Y115-I126 HydrophobicContact CE1-CD1 4.3Å; Y115-R309 PolarHBondContact O-NH2 2.89Å; Y115-L310 HydrophobicContact CD1-CD1 3.76Å; Y115-L310 HydrophobicContact CG-CD1 3.8Å; Y115-I313 HydrophobicContact CD2-CD1 4.23Å; Y115-I313 HydrophobicContact CD2-CG2 3.66Å; Y115-I313 HydrophobicContact CE2-CG2 3.52Å; Y115-L314 WeakPolarHBondContact CE2-O 3.44Å; Y115-L314 PolarHBondContact OH-O 2.81Å; Y115-P317 HydrophobicContact CE1-CB 4.47Å; Y115-P317 HydrophobicContact CE1-CG 4.22Å; Y115-L320 HydrophobicContact CD1-CD1 4.27Å; Y115-L320 HydrophobicContact CE1-CD1 3.66Å; Y115-L320 HydrophobicContact CE1-CD2 4.01Å; Y115-L320 HydrophobicContact CE1-CG 4.24Å; Y115-L320 HydrophobicContact CE2-CD2 4.13Å
116	E	98.6	Very high	98.6	Very high	151 Å²	151	20.8 Å²	20.8	71%	0.706	11%	0.11	S	C	*	.	H	α-helix	trans	-98.9	-50.4	174.6	-175.2	180	167.1	0	0	110.9	E113 S114 F118 A119	E113-E116 PolarHBondContact O-N 2.63Å; S114-E116 PolarHBondContact O-N 2.97Å; E116-F118 VanDerWaalsContact C-N 3.26Å; E116-F118 PolarHBondContact O-N 2.96Å; E116-A119 VanDerWaalsContact O-CB 3.3Å; E116-A119 WeakPolarHBondContact O-CB 3.39Å; E116-A119 PolarHBondContact O-N 2.85Å
117	V	98.6	Very high	98.6	Very high	32 Å²	32	24.8 Å²	24.8	19%	0.194	13%	0.126	C	C	.	.	H	α-helix	trans	-60.1	-38.2	-176.6	176.4	0	0	0	0	111.6	K78 T80 E113	K78-V117 HydrophobicContact CB-CG1 3.8Å; K78-V117 HydrophobicContact CD-CG1 4.15Å; T80-V117 HydrophobicContact CG2-CB 4.39Å; T80-V117 HydrophobicContact CG2-CG2 4.29Å; E113-V117 HydrophobicContact CB-CG2 4.5Å; E113-V117 WeakPolarHBondContact O-CG2 3.4Å; E113-V117 PolarHBondContact O-N 2.9Å
118	F	98.8	Very high	98.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	21.3	-178.5	-47.4	-57.6	0	0	0	113.3	L75 K78 T80 Y84 L86 S114 E116 D120 L121 L122	L75-F118 HydrophobicContact CB-CD1 4.47Å; L75-F118 HydrophobicContact CD1-CB 4.43Å; K78-F118 HydrophobicContact CB-CE1 4.28Å; T80-F118 HydrophobicContact CG2-CE2 3.84Å; T80-F118 HydrophobicContact CG2-CZ 4.23Å; Y84-F118 HydrophobicContact CD1-CE2 4.46Å; L86-F118 HydrophobicContact CB-CD1 4.24Å; L86-F118 HydrophobicContact CB-CE1 3.99Å; L86-F118 HydrophobicContact CD1-CD1 4.13Å; L86-F118 HydrophobicContact CD1-CG 4.42Å; S114-F118 WeakPolarHBondContact O-CB 3.35Å; S114-F118 WeakPolarHBondContact O-CD2 3.37Å; S114-F118 PolarHBondContact O-N 3.14Å; S114-F118 VanDerWaalsContact O-N 3.13Å; E116-F118 VanDerWaalsContact C-N 3.26Å; E116-F118 PolarHBondContact O-N 2.96Å; F118-D120 VanDerWaalsContact C-N 3.25Å; F118-D120 PolarHBondContact O-N 2.89Å; F118-L121 PolarHBondContact O-N 3.28Å; F118-L122 HydrophobicContact CB-CD1 4.08Å; F118-L122 PolarHBondContact O-N 3.01Å
119	A	98.7	Very high	98.2	Very high	21 Å²	21	29.4 Å²	29.4	17%	0.174	15%	0.145	C	C	.	.	H	α-helix	trans	-54.6	-36.3	-176.5	0	0	0	0	0	113.6	E116 L121 L122 D123	E116-A119 VanDerWaalsContact O-CB 3.3Å; E116-A119 WeakPolarHBondContact O-CB 3.39Å; E116-A119 PolarHBondContact O-N 2.85Å; A119-L121 PolarHBondContact O-N 3.47Å; A119-L122 PolarHBondContact O-N 3.09Å; A119-D123 VanDerWaalsContact O-CB 3.27Å; A119-D123 WeakPolarHBondContact O-CB 3.26Å; A119-D123 VanDerWaalsContact O-CG 3.3Å; A119-D123 PolarHBondContact O-N 2.92Å
120	D	98.6	Very high	97.9	Very high	57 Å²	57	29.4 Å²	29.4	31%	0.305	15%	0.145	S	C	.	.	H	α-helix	trans	-58.1	-23.3	178.3	-63.9	-55.3	0	0	0	113.5	K74 L75 F118	K74-D120 VanDerWaalsContact CD-OD2 3.3Å; K74-D120 WeakPolarHBondContact CD-OD2 3.13Å; K74-D120 WeakPolarHBondContact CE-OD2 3.39Å; K74-D120 IonicContact NZ-OD1 2.98Å; K74-D120 PolarHBondContact NZ-OD1 2.88Å; K74-D120 IonicContact NZ-OD2 2.66Å; K74-D120 PolarHBondContact NZ-OD2 3.01Å; L75-D120 HydrophobicContact CD1-CB 4.22Å; L75-D120 HydrophobicContact CD2-CB 4.46Å; F118-D120 VanDerWaalsContact C-N 3.25Å; F118-D120 PolarHBondContact O-N 2.89Å
121	L	98.8	Very high	97.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-102.9	-41.7	172.8	-178.8	60.9	0	0	0	112.2	M63 H66 L67 I71 L75 L86 I90 M107 F118 A119 P124 V125	M63-L121 HydrophobicContact CG-CD2 4.4Å; H66-L121 HydrophobicContact CB-CD1 4.16Å; L67-L121 HydrophobicContact CB-CD1 4.18Å; L67-L121 HydrophobicContact CD1-CD1 4.12Å; L67-L121 HydrophobicContact CD1-CD2 3.83Å; I71-L121 HydrophobicContact CG2-CB 3.98Å; I71-L121 HydrophobicContact CG2-CD1 4.42Å; L75-L121 HydrophobicContact CD1-CB 4Å; L86-L121 HydrophobicContact CD1-CD2 3.86Å; I90-L121 HydrophobicContact CG2-CD2 3.81Å; M107-L121 HydrophobicContact CE-CD2 3.78Å; M107-L121 HydrophobicContact CE-CG 4.03Å; M107-L121 HydrophobicContact SD-CD2 4.15Å; M107-L121 HydrophobicContact SD-CG 4.03Å; F118-L121 PolarHBondContact O-N 3.28Å; A119-L121 PolarHBondContact O-N 3.47Å; L121-P124 WeakPolarHBondContact O-CD 3.46Å; L121-P124 VanDerWaalsContact O-CG 3.3Å; L121-P124 WeakPolarHBondContact O-CG 3.36Å; L121-V125 HydrophobicContact CD1-CG2 4.41Å; L121-V125 VanDerWaalsContact O-CG2 3.26Å; L121-V125 WeakPolarHBondContact O-CG2 3.34Å; L121-V125 PolarHBondContact O-N 3.01Å
122	L	98.6	Very high	97.1	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-68	-40.8	-176.1	-84.5	165	0	0	0	112.7	M107 S114 Y115 F118 A119 V125 I126 P317	M107-L122 HydrophobicContact CE-CD1 4.33Å; M107-L122 HydrophobicContact CE-CD2 3.47Å; M107-L122 VanDerWaalsContact CE-CD2 3.47Å; M107-L122 HydrophobicContact CE-CG 3.54Å; M107-L122 HydrophobicContact CG-CD2 4.15Å; M107-L122 HydrophobicContact SD-CD2 3.66Å; M107-L122 HydrophobicContact SD-CG 4.18Å; S114-L122 VanDerWaalsContact O-CD1 3.31Å; S114-L122 WeakPolarHBondContact O-CD1 3.47Å; Y115-L122 HydrophobicContact CD1-CD1 3.78Å; Y115-L122 HydrophobicContact CD1-CD2 4.26Å; Y115-L122 HydrophobicContact CD1-CG 4.42Å; Y115-L122 HydrophobicContact CE1-CD1 4.24Å; Y115-L122 HydrophobicContact CE1-CD2 4.01Å; Y115-L122 HydrophobicContact CG-CD1 4.31Å; F118-L122 HydrophobicContact CB-CD1 4.08Å; F118-L122 PolarHBondContact O-N 3.01Å; A119-L122 PolarHBondContact O-N 3.09Å; L122-V125 PolarHBondContact O-N 2.88Å; L122-I126 HydrophobicContact CB-CD1 4.37Å; L122-I126 WeakPolarHBondContact O-CB 3.38Å; L122-I126 WeakPolarHBondContact O-CD1 3.37Å; L122-I126 WeakPolarHBondContact O-CG1 3.37Å; L122-I126 PolarHBondContact O-N 2.87Å; L122-P317 HydrophobicContact CD2-CB 4.46Å; L122-P317 HydrophobicContact CD2-CG 3.63Å
123	D	98.6	Very high	97	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.064	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-50.1	-178.9	-68.5	-10.8	0	0	0	112.9	A119 V125 I126 K127 P135 Q136 R309	A119-D123 VanDerWaalsContact O-CB 3.27Å; A119-D123 WeakPolarHBondContact O-CB 3.26Å; A119-D123 VanDerWaalsContact O-CG 3.3Å; A119-D123 PolarHBondContact O-N 2.92Å; D123-V125 VanDerWaalsContact C-N 3.33Å; D123-V125 PolarHBondContact O-N 2.73Å; D123-I126 PolarHBondContact O-N 3.15Å; D123-K127 WeakPolarHBondContact O-CB 3.43Å; D123-K127 PolarHBondContact O-N 3.48Å; D123-P135 HydrophobicContact CB-CG 3.75Å; D123-P135 WeakPolarHBondContact OD1-CG 2.95Å; D123-Q136 HydrophobicContact CB-CG 4.46Å; D123-Q136 WeakPolarHBondContact OD2-CG 3.15Å; D123-Q136 PolarHBondContact OD2-NE2 3.16Å; D123-R309 IonicContact OD1-NH1 3.4Å; D123-R309 PolarHBondContact OD1-NH1 3.2Å
124	P	98.4	Very high	96.9	Very high	36 Å²	36	31.2 Å²	31.2	23%	0.234	17%	0.166	C	C	.	.	H	α-helix	trans	-65.2	-35.2	176	23.3	-32.4	0	0	0	112.7	H66 L121 K127 E128	H66-P124 HydrophobicContact CB-CB 4.35Å; H66-P124 HydrophobicContact CB-CG 4.32Å; H66-P124 PolarHBondContact NE2-O 3.13Å; L121-P124 WeakPolarHBondContact O-CD 3.46Å; L121-P124 VanDerWaalsContact O-CG 3.3Å; L121-P124 WeakPolarHBondContact O-CG 3.36Å; P124-K127 PolarHBondContact O-N 3.19Å; P124-E128 PolarHBondContact O-N 3.4Å
125	V	98.4	Very high	96.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-43.6	174.2	166.1	0	0	0	0	111.7	C62 H66 V105 M107 L121 L122 D123 K127 E128 R129	C62-V125 HydrophobicContact CB-CG1 3.88Å; C62-V125 HydrophobicContact CB-CG2 4.46Å; H66-V125 HydrophobicContact CB-CG2 4.08Å; V105-V125 HydrophobicContact CG1-CG1 3.59Å; M107-V125 HydrophobicContact CG-CG1 4.37Å; M107-V125 HydrophobicContact SD-CB 4.22Å; M107-V125 HydrophobicContact SD-CG1 4.09Å; M107-V125 HydrophobicContact SD-CG2 3.91Å; L121-V125 HydrophobicContact CD1-CG2 4.41Å; L121-V125 VanDerWaalsContact O-CG2 3.26Å; L121-V125 WeakPolarHBondContact O-CG2 3.34Å; L121-V125 PolarHBondContact O-N 3.01Å; L122-V125 PolarHBondContact O-N 2.88Å; D123-V125 VanDerWaalsContact C-N 3.33Å; D123-V125 PolarHBondContact O-N 2.73Å; V125-K127 VanDerWaalsContact C-N 3.34Å; V125-E128 PolarHBondContact O-N 3.43Å; V125-R129 VanDerWaalsContact O-CB 3.27Å; V125-R129 WeakPolarHBondContact O-CB 3.23Å; V125-R129 PolarHBondContact O-N 3.5Å
126	I	98.2	Very high	96.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-45.5	175.3	-72.3	164.5	0	0	0	109.7	Y115 L122 D123 E128 R129 H130 Y133 P135 L310 P317 L320 L375	Y115-I126 HydrophobicContact CD1-CD1 4.24Å; Y115-I126 HydrophobicContact CE1-CD1 4.3Å; L122-I126 HydrophobicContact CB-CD1 4.37Å; L122-I126 WeakPolarHBondContact O-CB 3.38Å; L122-I126 WeakPolarHBondContact O-CD1 3.37Å; L122-I126 WeakPolarHBondContact O-CG1 3.37Å; L122-I126 PolarHBondContact O-N 2.87Å; D123-I126 PolarHBondContact O-N 3.15Å; I126-E128 PolarHBondContact O-N 3.43Å; I126-R129 PolarHBondContact O-N 2.98Å; I126-H130 WeakPolarHBondContact O-CB 3.45Å; I126-H130 PolarHBondContact O-CD2 3.37Å; I126-H130 PolarHBondContact O-N 3.2Å; I126-Y133 HydrophobicContact CG2-CD1 4.38Å; I126-P135 HydrophobicContact CG2-CG 4.21Å; I126-L310 HydrophobicContact CD1-CD2 3.99Å; I126-P317 HydrophobicContact CG1-CB 4.11Å; I126-L320 HydrophobicContact CD1-CD1 3.46Å; I126-L320 VanDerWaalsContact CD1-CD1 3.46Å; I126-L320 HydrophobicContact CG1-CD1 3.75Å; I126-L375 HydrophobicContact CG2-CD2 3.58Å
127	K	97.1	Very high	96.8	Very high	89 Å²	89	36.9 Å²	36.9	39%	0.387	20%	0.196	S	C	.	.	H	α-helix	trans	-60.7	-44.7	179.2	-173.1	174.7	-175.3	165.9	0	112.9	D123 P124 V125 N131 G132 Y133 D134	D123-K127 WeakPolarHBondContact O-CB 3.43Å; D123-K127 PolarHBondContact O-N 3.48Å; P124-K127 PolarHBondContact O-N 3.19Å; V125-K127 VanDerWaalsContact C-N 3.34Å; K127-N131 PolarHBondContact O-N 3.02Å; K127-G132 PolarHBondContact O-N 3.16Å; K127-Y133 WeakPolarHBondContact CA-O 3.33Å; K127-Y133 WeakPolarHBondContact CB-O 3.36Å; K127-D134 HydrophobicContact CD-CB 4.22Å; K127-D134 IonicContact NZ-OD2 2.72Å; K127-D134 PolarHBondContact NZ-OD2 3.13Å
128	E	94.9	Very high	96.7	Very high	65 Å²	65	39.1 Å²	39.1	30%	0.304	21%	0.205	S	C	.	.	H	α-helix	trans	-62.9	-49.7	173.7	-166.4	-158.9	113	0	0	110.7	C62 S65 H66 K103 P124 V125 I126 H130 N131	C62-E128 PolarHBondContact SG-OE1 2.87Å; S65-E128 WeakPolarHBondContact CB-OE2 3.38Å; H66-E128 IonicContact CD2-OE2 3.35Å; H66-E128 WeakPolarHBondContact NE2-CB 3.39Å; H66-E128 IonicContact NE2-OE2 2.92Å; H66-E128 PolarHBondContact NE2-OE2 3.08Å; K103-E128 WeakPolarHBondContact CE-OE1 3.29Å; K103-E128 VanDerWaalsContact NZ-CD 3.31Å; K103-E128 IonicContact NZ-OE1 2.6Å; K103-E128 PolarHBondContact NZ-OE1 3.37Å; K103-E128 IonicContact NZ-OE2 2.68Å; K103-E128 PolarHBondContact NZ-OE2 3.48Å; P124-E128 PolarHBondContact O-N 3.4Å; V125-E128 PolarHBondContact O-N 3.43Å; I126-E128 PolarHBondContact O-N 3.43Å; E128-H130 VanDerWaalsContact C-N 3.32Å; E128-H130 PolarHBondContact O-N 3.26Å; E128-N131 PolarHBondContact O-N 2.98Å
129	R	93.4	Very high	96.7	Very high	44 Å²	44	43.1 Å²	43.1	17%	0.166	23%	0.23	C	C	.	.	H	α-helix	trans	-66.4	-33	-172.8	-177.9	58.6	-171.5	88.9	-7.9	113.3	V105 V125 I126	V105-R129 HydrophobicContact CG2-CG 4.05Å; V125-R129 VanDerWaalsContact O-CB 3.27Å; V125-R129 WeakPolarHBondContact O-CB 3.23Å; V125-R129 PolarHBondContact O-N 3.5Å; I126-R129 PolarHBondContact O-N 2.98Å
130	H	93.1	Very high	96.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	29.2	-178.2	-63.3	-79.7	0	0	0	112.8	I126 E128 G132 Y133 P317 S318 L375 K414	I126-H130 WeakPolarHBondContact O-CB 3.45Å; I126-H130 PolarHBondContact O-CD2 3.37Å; I126-H130 PolarHBondContact O-N 3.2Å; E128-H130 VanDerWaalsContact C-N 3.32Å; E128-H130 PolarHBondContact O-N 3.26Å; H130-G132 PolarHBondContact O-N 2.85Å; H130-Y133 PolarHBondContact O-N 3.02Å; H130-P317 PolarHBondContact NE2-O 2.95Å; H130-S318 PolarHBondContact CE1-O 3.14Å; H130-L375 HydrophobicContact CB-CB 4.19Å; H130-K414 PolarHBondContact O-NZ 2.99Å
131	N	87.7	Confident	96.6	Very high	84 Å²	84	42.5 Å²	42.5	45%	0.449	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	51.4	167.8	-170.2	34.3	0	0	0	113	K127 E128 R349 K414	K127-N131 PolarHBondContact O-N 3.02Å; E128-N131 PolarHBondContact O-N 2.98Å; N131-R349 PolarHBondContact ND2-NH2 2.83Å; N131-K414 PolarHBondContact O-NZ 2.82Å
132	G	93.5	Very high	96.6	Very high	34 Å²	34	45 Å²	45	35%	0.351	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	3	174.8	0	0	0	0	0	115.9	K127 H130 D134	K127-G132 PolarHBondContact O-N 3.16Å; H130-G132 PolarHBondContact O-N 2.85Å; G132-D134 PolarHBondContact O-N 3.45Å
133	Y	96.6	Very high	96.5	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.02	25%	0.251	C	S	.	.			trans	-62.9	117	169.6	-177.8	-87.9	0	0	0	110	I126 K127 H130 P135 M138 T139 H140 R309 L375 G376	I126-Y133 HydrophobicContact CG2-CD1 4.38Å; K127-Y133 WeakPolarHBondContact CA-O 3.33Å; K127-Y133 WeakPolarHBondContact CB-O 3.36Å; H130-Y133 PolarHBondContact O-N 3.02Å; Y133-P135 HydrophobicContact CE1-CB 4.17Å; Y133-P135 WeakPolarHBondContact O-CD 3.45Å; Y133-M138 HydrophobicContact CD2-CB 4.11Å; Y133-M138 HydrophobicContact CD2-SD 3.86Å; Y133-M138 HydrophobicContact CE1-CB 4.48Å; Y133-M138 HydrophobicContact CE2-CB 3.63Å; Y133-M138 HydrophobicContact CE2-SD 4.34Å; Y133-M138 HydrophobicContact CG-SD 4.31Å; Y133-M138 PolarHBondContact OH-O 3.16Å; Y133-T139 WeakPolarHBondContact OH-CA 3.45Å; Y133-T139 PolarHBondContact OH-O 3.01Å; Y133-H140 PolarHBondContact OH-N 3.46Å; Y133-R309 WeakPolarHBondContact CE1-O 3.48Å; Y133-R309 PolarHBondContact OH-O 3.12Å; Y133-L375 HydrophobicContact CD1-CD1 4.41Å; Y133-L375 HydrophobicContact CD1-CD2 3.23Å; Y133-L375 HydrophobicContact CD1-CG 3.51Å; Y133-L375 HydrophobicContact CD2-CG 4.16Å; Y133-L375 HydrophobicContact CE1-CD1 3.96Å; Y133-L375 HydrophobicContact CE1-CD2 3.43Å; Y133-L375 VanDerWaalsContact CE1-CD2 3.43Å; Y133-L375 HydrophobicContact CE1-CG 3.55Å; Y133-L375 HydrophobicContact CE2-CG 4.19Å; Y133-L375 HydrophobicContact CG-CD2 3.95Å; Y133-L375 HydrophobicContact CG-CG 3.81Å; Y133-G376 VanDerWaalsContact CD2-CA 3.42Å
134	D	97.6	Very high	96.5	Very high	20 Å²	20	46.9 Å²	46.9	11%	0.107	25%	0.252	C	S	.	.			trans	-105.8	105.5	-176.3	-167	-30.5	0	0	0	110.3	K127 G132 Q136 I137 M138	K127-D134 HydrophobicContact CD-CB 4.22Å; K127-D134 IonicContact NZ-OD2 2.72Å; K127-D134 PolarHBondContact NZ-OD2 3.13Å; G132-D134 PolarHBondContact O-N 3.45Å; D134-Q136 PolarHBondContact O-N 2.87Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.35Å; D134-Q136 PolarHBondContact OD1-N 3.36Å; D134-Q136 VanDerWaalsContact OD1-N 3.08Å; D134-I137 HydrophobicContact CB-CD1 4.23Å; D134-I137 HydrophobicContact CB-CG1 3.75Å; D134-I137 PolarHBondContact O-N 2.97Å; D134-M138 HydrophobicContact CB-CE 4.35Å; D134-M138 HydrophobicContact CB-CG 4.46Å; D134-M138 PolarHBondContact N-SD 3.29Å; D134-M138 VanDerWaalsContact N-SD 3.43Å; D134-M138 VanDerWaalsContact O-CB 3.28Å; D134-M138 WeakPolarHBondContact O-CB 3.46Å; D134-M138 WeakPolarHBondContact O-CG 3.46Å; D134-M138 PolarHBondContact O-N 2.79Å
135	P	97.4	Very high	96.5	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.032	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-7.3	-175	30.6	-37	0	0	0	113.7	D123 I126 Y133 L310	D123-P135 HydrophobicContact CB-CG 3.75Å; D123-P135 WeakPolarHBondContact OD1-CG 2.95Å; I126-P135 HydrophobicContact CG2-CG 4.21Å; Y133-P135 HydrophobicContact CE1-CB 4.17Å; Y133-P135 WeakPolarHBondContact O-CD 3.45Å; P135-L310 HydrophobicContact CB-CD2 3.58Å; P135-L310 HydrophobicContact CG-CD2 4.46Å
136	Q	97.2	Very high	96.5	Very high	133 Å²	133	48.5 Å²	48.5	62%	0.621	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-22.8	176.9	-59.4	-170.9	-14.1	0	0	112.9	D123 D134	D123-Q136 HydrophobicContact CB-CG 4.46Å; D123-Q136 WeakPolarHBondContact OD2-CG 3.15Å; D123-Q136 PolarHBondContact OD2-NE2 3.16Å; D134-Q136 PolarHBondContact O-N 2.87Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.35Å; D134-Q136 PolarHBondContact OD1-N 3.36Å; D134-Q136 VanDerWaalsContact OD1-N 3.08Å
137	I	97.7	Very high	96.4	Very high	135 Å²	135	52.5 Å²	52.5	69%	0.692	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.2	-7.2	-173.1	62.9	168.8	0	0	0	113.8	D134	D134-I137 HydrophobicContact CB-CD1 4.23Å; D134-I137 HydrophobicContact CB-CG1 3.75Å; D134-I137 PolarHBondContact O-N 2.97Å
138	M	97.7	Very high	96.5	Very high	78 Å²	78	53 Å²	53	38%	0.384	29%	0.29	S	S	.	.			trans	-113.8	154.7	178.8	-56.5	-173.6	-177	0	0	110.9	Y133 D134	Y133-M138 HydrophobicContact CD2-CB 4.11Å; Y133-M138 HydrophobicContact CD2-SD 3.86Å; Y133-M138 HydrophobicContact CE1-CB 4.48Å; Y133-M138 HydrophobicContact CE2-CB 3.63Å; Y133-M138 HydrophobicContact CE2-SD 4.34Å; Y133-M138 HydrophobicContact CG-SD 4.31Å; Y133-M138 PolarHBondContact OH-O 3.16Å; D134-M138 HydrophobicContact CB-CE 4.35Å; D134-M138 HydrophobicContact CB-CG 4.46Å; D134-M138 PolarHBondContact N-SD 3.29Å; D134-M138 VanDerWaalsContact N-SD 3.43Å; D134-M138 VanDerWaalsContact O-CB 3.28Å; D134-M138 WeakPolarHBondContact O-CB 3.46Å; D134-M138 WeakPolarHBondContact O-CG 3.46Å; D134-M138 PolarHBondContact O-N 2.79Å
139	T	97.8	Very high	96.6	Very high	84 Å²	84	50.1 Å²	50.1	52%	0.515	28%	0.276	S	S	.	.			trans	-117.8	154.4	173.4	59.4	0	0	0	0	110.3	Y133 E308	Y133-T139 WeakPolarHBondContact OH-CA 3.45Å; Y133-T139 PolarHBondContact OH-O 3.01Å; T139-E308 HydrophobicContact CG2-CG 3.71Å
140	H	98.1	Very high	96.6	Very high	9 Å²	9	52.1 Å²	52.1	4%	0.042	29%	0.293	C	S	.	.			trans	-99.4	121.4	-176.3	-179.3	55.8	0	0	0	111.3	Y133 E308 G311 G321 T322 L375 G376 Q377	Y133-H140 PolarHBondContact OH-N 3.46Å; H140-E308 PolarHBondContact N-O 2.63Å; H140-G311 VanDerWaalsContact CD2-CA 3.45Å; H140-G311 WeakPolarHBondContact CD2-CA 3.07Å; H140-G321 VanDerWaalsContact NE2-CA 3.31Å; H140-G321 WeakPolarHBondContact NE2-CA 3.48Å; H140-T322 PolarHBondContact NE2-N 2.87Å; H140-L375 HydrophobicContact CB-CD1 3.99Å; H140-G376 PolarHBondContact ND1-N 3.11Å; H140-Q377 PolarHBondContact CE1-O 3.47Å; H140-Q377 VanDerWaalsContact CE1-O 3.32Å
141	P	97.8	Very high	96.4	Very high	56 Å²	56	56.2 Å²	56.2	36%	0.364	32%	0.322	S	S	.	.			trans	-80.1	132.3	173.4	31.6	-33.6	0	0	0	111.4	S378	P141-S378 WeakPolarHBondContact O-CA 3.45Å
142	T	98.1	Very high	96.6	Very high	54 Å²	54	52.3 Å²	52.3	33%	0.331	30%	0.301	S	S	.	.			trans	-108.1	130.4	168.7	-63.2	0	0	0	0	109.4	Y312	T142-Y312 HydrophobicContact CG2-CE2 4.1Å
143	D	98.3	Very high	96.7	Very high	37 Å²	37	55.8 Å²	55.8	20%	0.198	31%	0.312	C	S	.	.			trans	-148.5	97.2	179.1	-168.5	-1.7	0	0	0	110.5	D145 K148 E379 V380	D143-D145 VanDerWaalsContact OD1-CB 3.29Å; D143-D145 WeakPolarHBondContact OD1-CB 3.39Å; D143-D145 PolarHBondContact OD1-N 2.91Å; D143-K148 IonicContact OD1-NZ 3.74Å; D143-K148 PolarHBondContact OD1-NZ 2.9Å; D143-K148 WeakPolarHBondContact OD2-CD 3.26Å; D143-K148 IonicContact OD2-NZ 2.67Å; D143-K148 PolarHBondContact OD2-NZ 2.99Å; D143-E379 PolarHBondContact N-OE2 3.32Å; D143-E379 WeakPolarHBondContact O-CB 3.34Å; D143-V380 HydrophobicContact CB-CG2 4.39Å; D143-V380 VanDerWaalsContact O-CG2 3.31Å; D143-V380 WeakPolarHBondContact O-CG2 3.21Å; D143-V380 PolarHBondContact O-N 2.67Å
144	L	98.1	Very high	96.8	Very high	16 Å²	16	55.9 Å²	55.9	8%	0.084	31%	0.313	C	S	.	.			trans	-98.4	29.6	176.6	-67.6	170.7	0	0	0	112.1	S146 F286 C287 L290 K291 E379	L144-S146 PolarHBondContact O-N 3.39Å; L144-F286 HydrophobicContact CD2-CE1 4.11Å; L144-C287 HydrophobicContact CB-CB 4.43Å; L144-C287 WeakPolarHBondContact O-CB 3.44Å; L144-L290 HydrophobicContact CD1-CD2 4.03Å; L144-L290 HydrophobicContact CD2-CD2 4.18Å; L144-K291 VanDerWaalsContact O-CE 3.25Å; L144-K291 WeakPolarHBondContact O-CE 3.41Å; L144-K291 PolarHBondContact O-NZ 2.94Å; L144-E379 HydrophobicContact CD2-CB 3.95Å; L144-E379 HydrophobicContact CD2-CG 3.66Å; L144-E379 HydrophobicContact CG-CG 4.47Å
145	D	98.3	Very high	96.8	Very high	56 Å²	56	56.8 Å²	56.8	30%	0.299	32%	0.317	S	S	.	.			trans	-87.7	92.2	173.3	-175.8	2.1	0	0	0	111.2	D143 S147 K148 V380	D143-D145 VanDerWaalsContact OD1-CB 3.29Å; D143-D145 WeakPolarHBondContact OD1-CB 3.39Å; D143-D145 PolarHBondContact OD1-N 2.91Å; D145-S147 VanDerWaalsContact CG-OG 3.27Å; D145-S147 PolarHBondContact O-N 2.9Å; D145-S147 VanDerWaalsContact O-N 3.12Å; D145-S147 VanDerWaalsContact OD1-CB 3.27Å; D145-S147 WeakPolarHBondContact OD1-CB 3.2Å; D145-S147 PolarHBondContact OD1-N 2.81Å; D145-S147 VanDerWaalsContact OD1-N 3.11Å; D145-S147 PolarHBondContact OD1-OG 2.99Å; D145-S147 PolarHBondContact OD2-OG 2.86Å; D145-K148 HydrophobicContact CB-CD 3.97Å; D145-K148 HydrophobicContact CB-CG 4.25Å; D145-K148 PolarHBondContact O-N 3Å; D145-K148 WeakPolarHBondContact OD2-CE 3.34Å; D145-K148 IonicContact OD2-NZ 3.38Å; D145-V380 WeakPolarHBondContact O-CG2 3.36Å
146	S	97.6	Very high	96.8	Very high	14 Å²	14	61.9 Å²	61.9	10%	0.098	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-60.8	-18.7	179.6	54.1	0	0	0	0	114	L144 K148 L149 K280 D284	L144-S146 PolarHBondContact O-N 3.39Å; S146-K148 VanDerWaalsContact C-N 3.26Å; S146-K148 PolarHBondContact O-N 3.12Å; S146-L149 PolarHBondContact O-N 3.15Å; S146-K280 PolarHBondContact O-NZ 3.42Å; S146-D284 WeakPolarHBondContact CB-OD1 3.24Å; S146-D284 PolarHBondContact OG-OD1 2.92Å
147	S	97.8	Very high	96.8	Very high	83 Å²	83	63.9 Å²	63.9	58%	0.58	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-66.5	-31.1	179.4	76.8	0	0	0	0	112	D145 L149	D145-S147 VanDerWaalsContact CG-OG 3.27Å; D145-S147 PolarHBondContact O-N 2.9Å; D145-S147 VanDerWaalsContact O-N 3.12Å; D145-S147 VanDerWaalsContact OD1-CB 3.27Å; D145-S147 WeakPolarHBondContact OD1-CB 3.2Å; D145-S147 PolarHBondContact OD1-N 2.81Å; D145-S147 VanDerWaalsContact OD1-N 3.11Å; D145-S147 PolarHBondContact OD1-OG 2.99Å; D145-S147 PolarHBondContact OD2-OG 2.86Å; S147-L149 VanDerWaalsContact C-N 3.27Å; S147-L149 PolarHBondContact O-N 2.89Å
148	K	98.1	Very high	96.8	Very high	101 Å²	101	58.2 Å²	58.2	44%	0.439	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-70.3	-19.2	179.4	-65.1	173.9	-176.2	158.9	0	114	D143 D145 S146 T150 V380	D143-K148 IonicContact OD1-NZ 3.74Å; D143-K148 PolarHBondContact OD1-NZ 2.9Å; D143-K148 WeakPolarHBondContact OD2-CD 3.26Å; D143-K148 IonicContact OD2-NZ 2.67Å; D143-K148 PolarHBondContact OD2-NZ 2.99Å; D145-K148 HydrophobicContact CB-CD 3.97Å; D145-K148 HydrophobicContact CB-CG 4.25Å; D145-K148 PolarHBondContact O-N 3Å; D145-K148 WeakPolarHBondContact OD2-CE 3.34Å; D145-K148 IonicContact OD2-NZ 3.38Å; S146-K148 VanDerWaalsContact C-N 3.26Å; S146-K148 PolarHBondContact O-N 3.12Å; K148-T150 PolarHBondContact O-N 2.79Å; K148-V380 HydrophobicContact CB-CG1 3.79Å; K148-V380 HydrophobicContact CB-CG2 4.36Å
149	L	96.9	Very high	96.8	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.016	30%	0.295	C	S	.	.			trans	-67	119.4	177.2	-175.7	68.8	0	0	0	109.6	S146 S147 K280 F283 V383 Q384 V387	S146-L149 PolarHBondContact O-N 3.15Å; S147-L149 VanDerWaalsContact C-N 3.27Å; S147-L149 PolarHBondContact O-N 2.89Å; L149-K280 HydrophobicContact CD2-CB 4.15Å; L149-K280 HydrophobicContact CD2-CG 4.3Å; L149-K280 PolarHBondContact O-NZ 3.17Å; L149-F283 HydrophobicContact CB-CD1 4.23Å; L149-F283 HydrophobicContact CD2-CB 4.2Å; L149-F283 HydrophobicContact CD2-CD1 3.88Å; L149-F283 HydrophobicContact CD2-CG 4.42Å; L149-V383 HydrophobicContact CD1-CB 4.18Å; L149-V383 HydrophobicContact CD1-CG1 3.73Å; L149-V383 HydrophobicContact CD2-CG1 3.73Å; L149-V383 HydrophobicContact CG-CG1 4.4Å; L149-Q384 HydrophobicContact CD1-CB 4.16Å; L149-V387 HydrophobicContact CD1-CG2 4.21Å
150	T	92.8	Very high	96.8	Very high	87 Å²	87	54.4 Å²	54.4	53%	0.534	29%	0.29	S	S	.	.			trans	-99.6	147.6	177.9	66.1	0	0	0	0	110.3	K148 Q384	K148-T150 PolarHBondContact O-N 2.79Å; T150-Q384 PolarHBondContact O-NE2 3.03Å; T150-Q384 PolarHBondContact O-OE1 3.18Å; T150-Q384 PolarHBondContact OG1-OE1 3.43Å
151	S	89.9	Confident	96.6	Very high	86 Å²	86	54.7 Å²	54.7	60%	0.601	29%	0.293	S	S	*	.			trans	57.4	-146	-169.2	-52.4	0	0	0	0	111
152	G	91.4	Very high	96.7	Very high	2 Å²	2	52 Å²	52	2%	0.021	28%	0.276	C	S	.	.			trans	102.7	19.9	177.4	0	0	0	0	0	114.8	N278 M279 K280	G152-N278 CarbonylContact O-C 3.53Å; G152-M279 PolarHBondContact O-N 3.24Å; G152-K280 PolarHBondContact O-N 3.38Å
153	N	97	Very high	96.6	Very high	108 Å²	108	52 Å²	52	58%	0.578	27%	0.27	S	S	*	.			trans	-114.9	113.4	161.5	-163.9	11.3	0	0	0	109.3	G277	N153-G277 WeakPolarHBondContact CA-O 3.47Å
154	F	98.1	Very high	96.6	Very high	7 Å²	7	50.3 Å²	50.3	3%	0.031	26%	0.261	C	S	.	.			trans	-88.1	162.7	-177.5	-57.6	-58.2	0	0	0	112.6	E156 V159 G277 M279 V328 V387 V390 I394	F154-E156 PolarHBondContact O-N 3.35Å; F154-V159 HydrophobicContact CB-CB 3.95Å; F154-V159 HydrophobicContact CB-CG1 4.36Å; F154-V159 HydrophobicContact CB-CG2 3.64Å; F154-V159 HydrophobicContact CD2-CG1 4.16Å; F154-V159 HydrophobicContact CD2-CG2 4.21Å; F154-V159 HydrophobicContact CG-CG2 4.05Å; F154-G277 WeakPolarHBondContact CD2-O 3.38Å; F154-G277 PolarHBondContact N-O 2.93Å; F154-M279 HydrophobicContact CD2-CB 4.3Å; F154-M279 HydrophobicContact CE2-CB 3.59Å; F154-M279 HydrophobicContact CE2-CE 4.12Å; F154-M279 HydrophobicContact CE2-CG 4.25Å; F154-M279 HydrophobicContact CZ-CB 4.13Å; F154-V328 HydrophobicContact CD2-CG1 3.87Å; F154-V328 HydrophobicContact CE2-CG1 3.52Å; F154-V328 HydrophobicContact CZ-CG1 4.4Å; F154-V387 HydrophobicContact CE1-CB 4.36Å; F154-V387 HydrophobicContact CE1-CG1 4.3Å; F154-V387 HydrophobicContact CE1-CG2 4.38Å; F154-V387 HydrophobicContact CZ-CB 4.35Å; F154-V387 HydrophobicContact CZ-CG2 3.97Å; F154-V390 HydrophobicContact CD1-CB 4.33Å; F154-V390 HydrophobicContact CD1-CG1 3.8Å; F154-V390 HydrophobicContact CD2-CG1 4.48Å; F154-V390 HydrophobicContact CE1-CB 3.75Å; F154-V390 HydrophobicContact CE1-CG1 3.71Å; F154-V390 HydrophobicContact CE2-CG1 4.38Å; F154-V390 HydrophobicContact CG-CG1 4.2Å; F154-V390 HydrophobicContact CZ-CB 3.97Å; F154-V390 HydrophobicContact CZ-CG1 4.01Å; F154-V390 HydrophobicContact CZ-CG2 4.46Å; F154-I394 HydrophobicContact CB-CD1 4.4Å
155	D	97.8	Very high	96.6	Very high	38 Å²	38	51 Å²	51	20%	0.203	26%	0.262	C	S	.	.			trans	-71.1	106.4	171.9	-169.2	-28.3	0	0	0	110.4	R157 Y158 V159 I394 K398	D155-R157 PolarHBondContact O-N 3.01Å; D155-R157 VanDerWaalsContact O-N 3.11Å; D155-R157 WeakPolarHBondContact OD1-CB 3.41Å; D155-R157 WeakPolarHBondContact OD1-CG 3.46Å; D155-R157 IonicContact OD1-CZ 3.82Å; D155-R157 PolarHBondContact OD1-N 2.8Å; D155-R157 IonicContact OD1-NE 2.97Å; D155-R157 PolarHBondContact OD1-NE 3Å; D155-R157 IonicContact OD1-NH2 3.79Å; D155-R157 IonicContact OD2-CZ 3.49Å; D155-R157 IonicContact OD2-NE 3.41Å; D155-R157 PolarHBondContact OD2-NE 3.45Å; D155-R157 IonicContact OD2-NH2 2.73Å; D155-R157 PolarHBondContact OD2-NH2 2.8Å; D155-Y158 HydrophobicContact CB-CD2 4.02Å; D155-Y158 PolarHBondContact O-N 3Å; D155-V159 PolarHBondContact O-N 3.48Å; D155-I394 HydrophobicContact CB-CG2 4.26Å; D155-K398 WeakPolarHBondContact OD2-CE 3.49Å; D155-K398 IonicContact OD2-NZ 3.8Å; D155-K398 PolarHBondContact OD2-NZ 2.86Å
156	E	97.5	Very high	96.6	Very high	112 Å²	112	48.3 Å²	48.3	52%	0.523	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-8.4	-174.3	-57.2	-163.1	154.6	0	0	114.2	F154 Y158 G276 G277	F154-E156 PolarHBondContact O-N 3.35Å; E156-Y158 PolarHBondContact O-N 3.32Å; E156-G276 WeakPolarHBondContact OE1-CA 3.36Å; E156-G277 PolarHBondContact OE1-N 3.44Å
157	R	97.3	Very high	96.7	Very high	176 Å²	176	47.7 Å²	47.7	66%	0.664	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-27.2	168.2	-62.4	178.8	-65.8	167.1	-0.7	112.1	D155	D155-R157 PolarHBondContact O-N 3.01Å; D155-R157 VanDerWaalsContact O-N 3.11Å; D155-R157 WeakPolarHBondContact OD1-CB 3.41Å; D155-R157 WeakPolarHBondContact OD1-CG 3.46Å; D155-R157 IonicContact OD1-CZ 3.82Å; D155-R157 PolarHBondContact OD1-N 2.8Å; D155-R157 IonicContact OD1-NE 2.97Å; D155-R157 PolarHBondContact OD1-NE 3Å; D155-R157 IonicContact OD1-NH2 3.79Å; D155-R157 IonicContact OD2-CZ 3.49Å; D155-R157 IonicContact OD2-NE 3.41Å; D155-R157 PolarHBondContact OD2-NE 3.45Å; D155-R157 IonicContact OD2-NH2 2.73Å; D155-R157 PolarHBondContact OD2-NH2 2.8Å
158	Y	97.8	Very high	96.7	Very high	15 Å²	15	43.7 Å²	43.7	6%	0.059	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-43.3	179.8	-56.8	-90.1	0	0	0	111.3	D155 E156 V330 N331 I394 E397 K398 E401	D155-Y158 HydrophobicContact CB-CD2 4.02Å; D155-Y158 PolarHBondContact O-N 3Å; E156-Y158 PolarHBondContact O-N 3.32Å; Y158-V330 CarbonylContact O-C 3.54Å; Y158-V330 WeakPolarHBondContact O-CA 3.18Å; Y158-N331 PolarHBondContact O-N 2.87Å; Y158-I394 HydrophobicContact CD2-CG2 3.78Å; Y158-I394 HydrophobicContact CE2-CG2 4.09Å; Y158-I394 HydrophobicContact CG-CG1 4.42Å; Y158-I394 HydrophobicContact CG-CG2 4.22Å; Y158-E397 HydrophobicContact CD1-CB 4.46Å; Y158-E397 HydrophobicContact CD1-CG 3.93Å; Y158-E397 HydrophobicContact CE1-CB 4.2Å; Y158-E397 HydrophobicContact CE1-CG 3.57Å; Y158-K398 HydrophobicContact CE2-CD 4.4Å; Y158-K398 HydrophobicContact CE2-CG 4.09Å; Y158-K398 VanDerWaalsContact OH-CG 3.24Å; Y158-K398 WeakPolarHBondContact OH-CG 3.09Å; Y158-E401 WeakPolarHBondContact CE1-OE1 3.48Å; Y158-E401 PolarHBondContact OH-OE1 2.94Å; Y158-E401 PolarHBondContact OH-OE2 2.93Å
159	V	97.8	Very high	96.8	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	116.2	-178.1	175.7	0	0	0	0	111.2	F154 D155 V328 H329 V330 V390 I394	F154-V159 HydrophobicContact CB-CB 3.95Å; F154-V159 HydrophobicContact CB-CG1 4.36Å; F154-V159 HydrophobicContact CB-CG2 3.64Å; F154-V159 HydrophobicContact CD2-CG1 4.16Å; F154-V159 HydrophobicContact CD2-CG2 4.21Å; F154-V159 HydrophobicContact CG-CG2 4.05Å; D155-V159 PolarHBondContact O-N 3.48Å; V159-V328 HydrophobicContact CG1-CB 3.95Å; V159-V328 HydrophobicContact CG1-CG1 3.88Å; V159-V328 HydrophobicContact CG2-CB 4.47Å; V159-V328 HydrophobicContact CG2-CG2 4.49Å; V159-H329 WeakPolarHBondContact CA-O 3.47Å; V159-V330 HydrophobicContact CG2-CB 4.33Å; V159-V330 HydrophobicContact CG2-CG2 4.07Å; V159-V390 HydrophobicContact CG2-CG1 4.09Å; V159-I394 HydrophobicContact CG2-CD1 3.93Å
160	L	95.8	Very high	96.9	Very high	81 Å²	81	38.8 Å²	38.8	42%	0.424	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-32.3	-176.4	-53.4	179.4	0	0	0	112.7	G276 H329 T366	L160-G276 PolarHBondContact O-N 3.36Å; L160-H329 HydrophobicContact CB-CB 4.21Å; L160-H329 PolarHBondContact N-O 3.34Å; L160-T366 HydrophobicContact CD1-CG2 3.87Å
161	S	95.9	Very high	97.2	Very high	15 Å²	15	38.5 Å²	38.5	11%	0.105	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	151.7	178.9	56.4	0	0	0	0	111.3	E274 G276 V328 H329	S161-E274 WeakPolarHBondContact CA-O 3.27Å; S161-E274 WeakPolarHBondContact CB-O 3.43Å; S161-G276 CarbonylContact C-O 3.56Å; S161-G276 WeakPolarHBondContact CA-O 3.42Å; S161-V328 CarbonylContact O-C 3.49Å; S161-V328 VanDerWaalsContact O-CA 3.23Å; S161-V328 WeakPolarHBondContact O-CA 3.43Å; S161-H329 PolarHBondContact O-N 2.97Å; S161-H329 WeakPolarHBondContact OG-CB 3.49Å; S161-H329 PolarHBondContact OG-ND1 3.36Å
162	S	97.9	Very high	97.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.1	178.3	-61.7	0	0	0	0	110	M273 E274 G276	S162-M273 VanDerWaalsContact O-CA 3.31Å; S162-M273 WeakPolarHBondContact O-CA 3.29Å; S162-E274 PolarHBondContact N-O 3.15Å; S162-E274 PolarHBondContact O-N 3.49Å; S162-G276 PolarHBondContact N-O 3.46Å; S162-G276 PolarHBondContact OG-O 2.85Å
163	R	97.9	Very high	97.9	Very high	55 Å²	55	38.1 Å²	38.1	21%	0.208	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	137.3	-177	175.8	168.3	179.8	-117.5	8.2	111.9	I271 S272 M273 A326 G327	R163-I271 HydrophobicContact CG-CG2 4.11Å; R163-S272 CarbonylContact C-O 3.53Å; R163-S272 WeakPolarHBondContact CA-O 3.18Å; R163-M273 HydrophobicContact CB-CB 3.9Å; R163-M273 HydrophobicContact CG-CB 3.95Å; R163-A326 CarbonylContact O-C 3.53Å; R163-A326 WeakPolarHBondContact O-CA 3.18Å; R163-G327 PolarHBondContact N-O 3.49Å; R163-G327 PolarHBondContact O-N 3.05Å
164	V	98.4	Very high	98	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.1	168.8	-175.4	0	0	0	0	108.3	I271 S272 M279 V282 F283 F286 L324 A326	V164-I271 WeakPolarHBondContact O-CA 3.38Å; V164-S272 PolarHBondContact N-O 3.48Å; V164-S272 PolarHBondContact O-N 3.31Å; V164-S272 VanDerWaalsContact O-O 3.12Å; V164-M279 HydrophobicContact CG2-SD 3.58Å; V164-M279 VanDerWaalsContact CG2-SD 3.58Å; V164-V282 HydrophobicContact CB-CG1 4.25Å; V164-V282 HydrophobicContact CG2-CG1 3.85Å; V164-F283 HydrophobicContact CG1-CD2 4.29Å; V164-F283 HydrophobicContact CG2-CB 4.47Å; V164-F283 HydrophobicContact CG2-CD2 4.43Å; V164-F286 HydrophobicContact CB-CB 4.39Å; V164-F286 HydrophobicContact CB-CD2 4.14Å; V164-F286 HydrophobicContact CB-CG 4.17Å; V164-F286 HydrophobicContact CG1-CB 4.42Å; V164-F286 HydrophobicContact CG1-CD1 3.86Å; V164-F286 HydrophobicContact CG1-CD2 3.79Å; V164-F286 HydrophobicContact CG1-CE1 3.99Å; V164-F286 HydrophobicContact CG1-CE2 3.92Å; V164-F286 HydrophobicContact CG1-CG 3.75Å; V164-F286 HydrophobicContact CG1-CZ 4.01Å; V164-L324 HydrophobicContact CG1-CD1 3.84Å; V164-L324 HydrophobicContact CG1-CG 4.04Å; V164-A326 HydrophobicContact CG1-CB 4.44Å; V164-A326 HydrophobicContact CG2-CB 3.97Å
165	R	97.7	Very high	98.1	Very high	30 Å²	30	32.8 Å²	32.8	11%	0.113	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.7	174.4	68.8	172.2	-171.8	-176.5	9.8	112.1	V270 I271 L324 R325	R165-V270 CarbonylContact C-O 3.58Å; R165-V270 WeakPolarHBondContact CA-O 3.49Å; R165-I271 HydrophobicContact CB-CG1 3.88Å; R165-L324 CarbonylContact O-C 3.56Å; R165-L324 VanDerWaalsContact O-CA 3.27Å; R165-L324 WeakPolarHBondContact O-CA 3.48Å; R165-R325 HydrophobicContact CG-CB 3.83Å; R165-R325 PolarHBondContact N-O 3.25Å; R165-R325 PolarHBondContact O-N 3.43Å
166	T	98.6	Very high	98.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	179.6	164.5	-168	0	0	0	0	110.4	R168 R269 V270 F286 L290 T322 G323	T166-R168 PolarHBondContact OG1-NH1 2.89Å; T166-R269 CarbonylContact O-C 3.52Å; T166-R269 VanDerWaalsContact O-CA 3.3Å; T166-R269 WeakPolarHBondContact O-CA 3.27Å; T166-R269 VanDerWaalsContact O-CD 3.31Å; T166-R269 WeakPolarHBondContact O-CD 3.42Å; T166-V270 HydrophobicContact CG2-CB 4.31Å; T166-V270 PolarHBondContact N-O 2.89Å; T166-V270 PolarHBondContact O-N 3.37Å; T166-F286 HydrophobicContact CG2-CE2 3.81Å; T166-F286 HydrophobicContact CG2-CZ 3.46Å; T166-F286 VanDerWaalsContact CG2-CZ 3.46Å; T166-L290 HydrophobicContact CG2-CD1 4.23Å; T166-L290 HydrophobicContact CG2-CD2 3.93Å; T166-T322 PolarHBondContact OG1-O 3.14Å; T166-G323 WeakPolarHBondContact CA-O 3.31Å; T166-G323 WeakPolarHBondContact OG1-CA 3.38Å
167	G	98.5	Very high	98.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	158.4	163.6	0	0	0	0	0	112.3	T268 L314	G167-T268 WeakPolarHBondContact CA-O 3.48Å; G167-L314 VanDerWaalsContact C-CD2 3.43Å
168	R	98.8	Very high	98.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	140.8	167.7	-64.2	-69	-179.2	-99.2	12.6	110	T166 T268 L290 F304 Y312	T166-R168 PolarHBondContact OG1-NH1 2.89Å; R168-T268 WeakPolarHBondContact CB-OG1 3.36Å; R168-T268 PolarHBondContact N-O 3.06Å; R168-T268 VanDerWaalsContact N-O 3.15Å; R168-T268 PolarHBondContact N-OG1 3.46Å; R168-T268 PolarHBondContact O-N 3.29Å; R168-T268 VanDerWaalsContact O-N 3.1Å; R168-T268 PolarHBondContact O-OG1 3.42Å; R168-L290 HydrophobicContact CG-CD1 4.05Å; R168-F304 HydrophobicContact CB-CD1 3.65Å; R168-F304 HydrophobicContact CB-CD2 4.29Å; R168-F304 HydrophobicContact CB-CE1 3.47Å; R168-F304 VanDerWaalsContact CB-CE1 3.47Å; R168-F304 HydrophobicContact CB-CE2 4.12Å; R168-F304 HydrophobicContact CB-CG 4.07Å; R168-F304 HydrophobicContact CB-CZ 3.71Å; R168-F304 HydrophobicContact CG-CD1 4.3Å; R168-F304 HydrophobicContact CG-CD2 4.04Å; R168-F304 HydrophobicContact CG-CE1 4.06Å; R168-F304 HydrophobicContact CG-CE2 3.77Å; R168-F304 HydrophobicContact CG-CG 4.3Å; R168-F304 HydrophobicContact CG-CZ 3.78Å; R168-Y312 VanDerWaalsContact CD-CD1 3.5Å; R168-Y312 VanDerWaalsContact CZ-CD2 3.44Å; R168-Y312 VanDerWaalsContact CZ-CE2 3.46Å; R168-Y312 VanDerWaalsContact NH2-CD2 3.33Å
169	S	98.9	Very high	98.3	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.007	11%	0.108	C	C	.	.			trans	-112	130.1	176.4	-52.8	0	0	0	0	109.9	L175 F304 M305 I313 L314	S169-L175 WeakPolarHBondContact OG-CD2 3.35Å; S169-F304 CarbonylContact O-C 3.41Å; S169-F304 VanDerWaalsContact O-CA 3.24Å; S169-F304 WeakPolarHBondContact O-CA 3.46Å; S169-M305 VanDerWaalsContact CB-SD 3.52Å; S169-M305 PolarHBondContact O-N 3.39Å; S169-I313 WeakPolarHBondContact CB-O 3.47Å; S169-I313 PolarHBondContact OG-O 2.87Å; S169-L314 WeakPolarHBondContact OG-CD2 3.45Å
170	I	98.9	Very high	98.3	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-73.3	121.1	173.4	-51.1	-58.3	0	0	0	109.7	L173 V187 V190 V191 H267 I297 W302 F304 M305	I170-L173 HydrophobicContact CB-CD1 4.26Å; I170-L173 HydrophobicContact CG2-CD1 3.99Å; I170-V187 HydrophobicContact CG1-CG1 4.48Å; I170-V190 HydrophobicContact CD1-CG1 4.42Å; I170-V191 HydrophobicContact CD1-CG2 4.25Å; I170-V191 HydrophobicContact CG1-CG2 4.35Å; I170-H267 PolarHBondContact N-ND1 3.23Å; I170-H267 VanDerWaalsContact N-ND1 3.11Å; I170-I297 HydrophobicContact CD1-CD1 3.96Å; I170-I297 HydrophobicContact CD1-CG2 4.23Å; I170-W302 HydrophobicContact CG2-CB 4.36Å; I170-W302 HydrophobicContact CG2-CD2 3.99Å; I170-W302 HydrophobicContact CG2-CE3 3.32Å; I170-W302 HydrophobicContact CG2-CG 4.43Å; I170-W302 HydrophobicContact CG2-CZ3 3.91Å; I170-F304 HydrophobicContact CD1-CD1 3.98Å; I170-F304 HydrophobicContact CD1-CE1 3.74Å; I170-M305 VanDerWaalsContact O-CE 3.29Å; I170-M305 WeakPolarHBondContact O-CE 3.38Å
171	R	98.8	Very high	98.5	Very high	81 Å²	81	24.6 Å²	24.6	31%	0.306	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	142.8	179.3	174.9	169.4	-75.8	157.4	-1.4	111.5	E112 L173 E303 M305 W306	E112-R171 IonicContact OE1-CZ 3.69Å; E112-R171 IonicContact OE1-NE 3.61Å; E112-R171 PolarHBondContact OE1-NE 2.6Å; E112-R171 IonicContact OE1-NH2 2.75Å; E112-R171 PolarHBondContact OE1-NH2 2.83Å; E112-R171 IonicContact OE2-CZ 3.29Å; E112-R171 IonicContact OE2-NE 2.71Å; E112-R171 PolarHBondContact OE2-NE 2.83Å; E112-R171 IonicContact OE2-NH2 2.81Å; R171-L173 VanDerWaalsContact C-N 3.34Å; R171-E303 HydrophobicContact CB-CB 4.25Å; R171-E303 WeakPolarHBondContact CB-O 3.28Å; R171-E303 IonicContact CZ-OE2 3.86Å; R171-E303 PolarHBondContact N-O 2.98Å; R171-E303 IonicContact NH1-OE2 2.85Å; R171-E303 PolarHBondContact NH1-OE2 2.89Å; R171-M305 HydrophobicContact CB-CG 4.05Å; R171-W306 PolarHBondContact NH2-O 2.92Å
172	G	98.4	Very high	98.6	Very high	63 Å²	63	27.3 Å²	27.3	65%	0.649	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.5	-0.6	179.1	0	0	0	0	0	115.3
173	L	98.9	Very high	98.7	Very high	16 Å²	16	29 Å²	29	8%	0.084	16%	0.164	C	C	.	.	S	Bend	trans	-117.3	132.6	174.5	-63.5	170.5	0	0	0	109	I170 R171 E183 E186 V187 H267 W302 M305	I170-L173 HydrophobicContact CB-CD1 4.26Å; I170-L173 HydrophobicContact CG2-CD1 3.99Å; R171-L173 VanDerWaalsContact C-N 3.34Å; L173-E183 HydrophobicContact CD2-CB 4.17Å; L173-E183 HydrophobicContact CD2-CG 4.1Å; L173-E186 HydrophobicContact CD1-CB 4.29Å; L173-E186 HydrophobicContact CD1-CG 4.08Å; L173-E186 HydrophobicContact CD2-CB 4.29Å; L173-E186 HydrophobicContact CD2-CG 4.23Å; L173-V187 HydrophobicContact CB-CG2 4.11Å; L173-V187 HydrophobicContact CD1-CB 4.47Å; L173-V187 HydrophobicContact CD1-CG2 3.54Å; L173-V187 HydrophobicContact CG-CG2 4.43Å; L173-H267 PolarHBondContact O-CE1 2.96Å; L173-W302 HydrophobicContact CD1-CH2 4.07Å; L173-W302 HydrophobicContact CD1-CZ3 3.85Å; L173-W302 HydrophobicContact CD2-CH2 4.49Å; L173-W302 HydrophobicContact CG-CH2 4.35Å; L173-W302 HydrophobicContact CG-CZ3 3.99Å; L173-M305 WeakPolarHBondContact O-CE 3.4Å
174	S	98.9	Very high	98.7	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.028	16%	0.155	C	C	.	.			trans	-60.7	147.7	177.6	-83.6	0	0	0	0	111.9	N82 G110 C179 E183 H267	N82-S174 PolarHBondContact ND2-OG 3.27Å; G110-S174 CarbonylContact O-C 3.59Å; G110-S174 WeakPolarHBondContact O-CB 3.34Å; S174-C179 VanDerWaalsContact O-CB 3.26Å; S174-C179 WeakPolarHBondContact O-CB 3.42Å; S174-E183 VanDerWaalsContact CB-OE1 3.3Å; S174-E183 WeakPolarHBondContact CB-OE1 3.39Å; S174-E183 PolarHBondContact N-OE1 3.33Å; S174-H267 PolarHBondContact O-NE2 3.31Å
175	L	98.9	Very high	98.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.			trans	-69.7	163.2	178.8	-61.2	175.1	0	0	0	111.4	A109 G110 S169 P177 A178 C179 M305	A109-L175 HydrophobicContact CB-CD1 3.86Å; G110-L175 WeakPolarHBondContact O-CB 3.17Å; G110-L175 PolarHBondContact O-N 2.95Å; S169-L175 WeakPolarHBondContact OG-CD2 3.35Å; L175-P177 VanDerWaalsContact C-N 3.31Å; L175-P177 WeakPolarHBondContact O-CD 3.46Å; L175-A178 PolarHBondContact O-N 2.83Å; L175-C179 PolarHBondContact O-N 2.82Å; L175-M305 HydrophobicContact CD2-CE 4.1Å; L175-M305 HydrophobicContact CD2-SD 3.95Å
176	P	98.8	Very high	98.8	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.019	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-35.3	-174.9	-29.5	36.3	0	0	0	117.1	A178 M240 R242 T315	P176-A178 VanDerWaalsContact C-N 3.28Å; P176-A178 PolarHBondContact O-N 3.1Å; P176-M240 HydrophobicContact CB-CB 4.43Å; P176-M240 HydrophobicContact CB-CE 4.28Å; P176-M240 HydrophobicContact CB-CG 4.16Å; P176-R242 PolarHBondContact O-NH2 3.37Å; P176-T315 WeakPolarHBondContact CD-OG1 3.16Å
177	P	98.8	Very high	98.8	Very high	9 Å²	9	33.5 Å²	33.5	6%	0.058	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-37.3	175.4	-28.6	39	0	0	0	113.4	Y84 V108 L175 S238 M240 R242 T315	Y84-P177 HydrophobicContact CE2-CB 4.28Å; Y84-P177 WeakPolarHBondContact OH-CB 3.32Å; V108-P177 HydrophobicContact CB-CG 4.12Å; V108-P177 HydrophobicContact CG2-CB 4.11Å; V108-P177 HydrophobicContact CG2-CG 3.82Å; L175-P177 VanDerWaalsContact C-N 3.31Å; L175-P177 WeakPolarHBondContact O-CD 3.46Å; P177-S238 WeakPolarHBondContact CA-O 3.24Å; P177-S238 VanDerWaalsContact CB-O 3.3Å; P177-S238 WeakPolarHBondContact CB-O 3.33Å; P177-M240 HydrophobicContact CB-CG 4.49Å; P177-M240 HydrophobicContact CG-CG 3.84Å; P177-M240 HydrophobicContact CG-SD 4.18Å; P177-R242 PolarHBondContact O-NH2 2.88Å; P177-T315 HydrophobicContact CG-CG2 3.36Å
178	A	98.8	Very high	98.8	Very high	29 Å²	29	35.2 Å²	35.2	24%	0.24	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-21.4	-170.6	0	0	0	0	0	114.3	Y84 G110 L175 P176 T180	Y84-A178 HydrophobicContact CD2-CB 3.47Å; Y84-A178 VanDerWaalsContact CD2-CB 3.47Å; Y84-A178 HydrophobicContact CE2-CB 3.71Å; Y84-A178 HydrophobicContact CG-CB 4.34Å; G110-A178 WeakPolarHBondContact O-CB 3.33Å; L175-A178 PolarHBondContact O-N 2.83Å; P176-A178 VanDerWaalsContact C-N 3.28Å; P176-A178 PolarHBondContact O-N 3.1Å; A178-T180 PolarHBondContact O-N 3.44Å
179	C	98.8	Very high	98.8	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.02	21%	0.211	C	C	.	.			trans	-56.8	137.1	-171.8	72.8	0	0	0	0	112.9	S174 L175 E183 R184 R242	S174-C179 VanDerWaalsContact O-CB 3.26Å; S174-C179 WeakPolarHBondContact O-CB 3.42Å; L175-C179 PolarHBondContact O-N 2.82Å; C179-E183 HydrophobicContact CB-CB 4.2Å; C179-R184 PolarHBondContact SG-NE 2.91Å; C179-R184 PolarHBondContact SG-NH2 3.17Å; C179-R184 VanDerWaalsContact SG-NH2 3.37Å; C179-R242 PolarHBondContact O-NH1 2.86Å; C179-R242 PolarHBondContact O-NH2 2.82Å
180	T	98.9	Very high	98.8	Very high	72 Å²	72	40.7 Å²	40.7	44%	0.442	21%	0.213	S	C	.	.			trans	-72.8	167.5	168.2	63.2	0	0	0	0	110.5	A178 A182 E183 R184	A178-T180 PolarHBondContact O-N 3.44Å; T180-A182 PolarHBondContact O-N 3.25Å; T180-E183 WeakPolarHBondContact CB-OE2 3.34Å; T180-E183 WeakPolarHBondContact CG2-OE2 3.31Å; T180-E183 PolarHBondContact N-OE2 3.44Å; T180-E183 PolarHBondContact O-N 2.99Å; T180-E183 WeakPolarHBondContact OG1-CG 3.16Å; T180-E183 PolarHBondContact OG1-N 2.83Å; T180-E183 PolarHBondContact OG1-OE2 2.87Å; T180-R184 WeakPolarHBondContact O-CB 3.5Å; T180-R184 PolarHBondContact O-N 2.9Å
181	R	98.8	Very high	98.8	Very high	135 Å²	135	40.7 Å²	40.7	51%	0.509	21%	0.213	S	C	.	.	H	α-helix	trans	-57	-37.3	171.5	-73.9	-176.8	-69.8	-84.5	-0.7	112	R185 D243	R181-R185 WeakPolarHBondContact O-CB 3.22Å; R181-R185 VanDerWaalsContact O-CD 3.3Å; R181-R185 WeakPolarHBondContact O-CD 3.39Å; R181-R185 WeakPolarHBondContact O-CG 3.47Å; R181-R185 PolarHBondContact O-N 3.2Å; R181-D243 WeakPolarHBondContact CD-OD1 3.3Å; R181-D243 HydrophobicContact CG-CB 4.09Å; R181-D243 VanDerWaalsContact CG-CG 3.49Å; R181-D243 IonicContact CZ-OD1 2.98Å; R181-D243 IonicContact NH1-OD1 2.86Å; R181-D243 PolarHBondContact NH1-OD1 3.05Å
182	A	98.8	Very high	98.8	Very high	72 Å²	72	38.5 Å²	38.5	60%	0.595	21%	0.209	S	C	*	.	H	α-helix	trans	-67.6	-48.3	-179.7	0	0	0	0	0	111.7	T180 R184 R185 E186	T180-A182 PolarHBondContact O-N 3.25Å; A182-R184 VanDerWaalsContact C-N 3.32Å; A182-R184 PolarHBondContact O-N 3.06Å; A182-R185 PolarHBondContact O-N 3Å; A182-E186 PolarHBondContact O-N 2.83Å
183	E	98.9	Very high	98.8	Very high	36 Å²	36	39.2 Å²	39.2	17%	0.168	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-41.4	177.1	-69.5	167.9	104.4	0	0	111.9	L173 S174 C179 T180 R185 E186 V187	L173-E183 HydrophobicContact CD2-CB 4.17Å; L173-E183 HydrophobicContact CD2-CG 4.1Å; S174-E183 VanDerWaalsContact CB-OE1 3.3Å; S174-E183 WeakPolarHBondContact CB-OE1 3.39Å; S174-E183 PolarHBondContact N-OE1 3.33Å; C179-E183 HydrophobicContact CB-CB 4.2Å; T180-E183 WeakPolarHBondContact CB-OE2 3.34Å; T180-E183 WeakPolarHBondContact CG2-OE2 3.31Å; T180-E183 PolarHBondContact N-OE2 3.44Å; T180-E183 PolarHBondContact O-N 2.99Å; T180-E183 WeakPolarHBondContact OG1-CG 3.16Å; T180-E183 PolarHBondContact OG1-N 2.83Å; T180-E183 PolarHBondContact OG1-OE2 2.87Å; E183-R185 PolarHBondContact O-N 3.02Å; E183-E186 PolarHBondContact O-N 2.95Å; E183-E186 VanDerWaalsContact O-N 3.15Å; E183-V187 WeakPolarHBondContact O-CG2 3.41Å; E183-V187 PolarHBondContact O-N 3.14Å
184	R	98.9	Very high	98.8	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-44.2	177.2	-167	-176.5	-64.3	125.1	3.8	112.2	C179 T180 A182 E186 V187 E188 R242 D243 D246 A247 R248 N263	C179-R184 PolarHBondContact SG-NE 2.91Å; C179-R184 PolarHBondContact SG-NH2 3.17Å; C179-R184 VanDerWaalsContact SG-NH2 3.37Å; T180-R184 WeakPolarHBondContact O-CB 3.5Å; T180-R184 PolarHBondContact O-N 2.9Å; A182-R184 VanDerWaalsContact C-N 3.32Å; A182-R184 PolarHBondContact O-N 3.06Å; R184-E186 VanDerWaalsContact C-N 3.29Å; R184-E186 PolarHBondContact O-N 3.14Å; R184-V187 WeakPolarHBondContact O-CB 3.48Å; R184-V187 PolarHBondContact O-N 3.21Å; R184-E188 PolarHBondContact O-N 2.67Å; R184-R242 PolarHBondContact NH1-O 3.02Å; R184-D243 IonicContact CZ-OD2 3.89Å; R184-D243 IonicContact NH1-OD2 3.99Å; R184-D243 PolarHBondContact NH1-OD2 2.81Å; R184-D243 IonicContact NH2-OD2 2.84Å; R184-D246 WeakPolarHBondContact CD-O 2.98Å; R184-A247 HydrophobicContact CB-CB 4.41Å; R184-A247 HydrophobicContact CG-CB 3.89Å; R184-R248 VanDerWaalsContact NE-CZ 3.35Å; R184-N263 HydrophobicContact CG-CB 3.89Å; R184-N263 VanDerWaalsContact CG-CG 3.49Å; R184-N263 WeakPolarHBondContact CG-ND2 3.38Å; R184-N263 PolarHBondContact O-ND2 3.49Å
185	R	98.9	Very high	98.8	Very high	120 Å²	120	38.5 Å²	38.5	45%	0.453	19%	0.194	S	C	.	.	H	α-helix	trans	-64.8	-34.1	174.8	-71.1	164.1	-174.8	-173.1	-7.6	111.9	R181 A182 E183 E188 R189 D246 A247	R181-R185 WeakPolarHBondContact O-CB 3.22Å; R181-R185 VanDerWaalsContact O-CD 3.3Å; R181-R185 WeakPolarHBondContact O-CD 3.39Å; R181-R185 WeakPolarHBondContact O-CG 3.47Å; R181-R185 PolarHBondContact O-N 3.2Å; A182-R185 PolarHBondContact O-N 3Å; E183-R185 PolarHBondContact O-N 3.02Å; R185-E188 PolarHBondContact O-N 2.8Å; R185-R189 WeakPolarHBondContact O-CB 3.37Å; R185-R189 PolarHBondContact O-N 3.26Å; R185-D246 IonicContact CZ-OD1 2.87Å; R185-D246 IonicContact CZ-OD2 3.47Å; R185-D246 IonicContact NE-OD1 3.83Å; R185-D246 PolarHBondContact NE-OD1 3.25Å; R185-D246 IonicContact NE-OD2 3.61Å; R185-D246 PolarHBondContact NE-OD2 3.1Å; R185-D246 IonicContact NH2-OD1 2.85Å; R185-D246 IonicContact NH2-OD2 3.75Å; R185-D246 PolarHBondContact NH2-OD2 3.07Å; R185-A247 HydrophobicContact CB-CB 4.37Å; R185-A247 HydrophobicContact CG-CB 3.7Å
186	E	98.9	Very high	98.7	Very high	57 Å²	57	42.7 Å²	42.7	27%	0.266	23%	0.228	S	C	.	.	H	α-helix	trans	-69.2	-40.7	175.5	-172.2	62.3	-175	0	0	111.7	L173 A182 E183 R184 E188 R189 V190 W302	L173-E186 HydrophobicContact CD1-CB 4.29Å; L173-E186 HydrophobicContact CD1-CG 4.08Å; L173-E186 HydrophobicContact CD2-CB 4.29Å; L173-E186 HydrophobicContact CD2-CG 4.23Å; A182-E186 PolarHBondContact O-N 2.83Å; E183-E186 PolarHBondContact O-N 2.95Å; E183-E186 VanDerWaalsContact O-N 3.15Å; R184-E186 VanDerWaalsContact C-N 3.29Å; R184-E186 PolarHBondContact O-N 3.14Å; E186-E188 VanDerWaalsContact C-N 3.33Å; E186-E188 PolarHBondContact O-N 3.08Å; E186-R189 PolarHBondContact O-N 3.4Å; E186-R189 IonicContact OE1-CZ 2.95Å; E186-R189 IonicContact OE1-NE 3.18Å; E186-R189 PolarHBondContact OE1-NE 2.96Å; E186-R189 IonicContact OE1-NH2 3.17Å; E186-R189 PolarHBondContact OE1-NH2 2.91Å; E186-R189 IonicContact OE2-CZ 2.92Å; E186-R189 IonicContact OE2-NE 2.83Å; E186-R189 PolarHBondContact OE2-NE 3.45Å; E186-R189 IonicContact OE2-NH2 3.5Å; E186-V190 HydrophobicContact CG-CG2 4.35Å; E186-V190 WeakPolarHBondContact O-CB 3.21Å; E186-V190 VanDerWaalsContact O-CG2 3.23Å; E186-V190 WeakPolarHBondContact O-CG2 3.49Å; E186-V190 PolarHBondContact O-N 3.09Å; E186-W302 HydrophobicContact CG-CH2 4.02Å; E186-W302 HydrophobicContact CG-CZ2 4.16Å; E186-W302 WeakPolarHBondContact OE1-CZ2 3.37Å
187	V	98.9	Very high	98.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-56.2	-48.9	169.6	172.9	0	0	0	0	110.7	I170 L173 E183 R184 R189 V190 V191 N263 H267	I170-V187 HydrophobicContact CG1-CG1 4.48Å; L173-V187 HydrophobicContact CB-CG2 4.11Å; L173-V187 HydrophobicContact CD1-CB 4.47Å; L173-V187 HydrophobicContact CD1-CG2 3.54Å; L173-V187 HydrophobicContact CG-CG2 4.43Å; E183-V187 WeakPolarHBondContact O-CG2 3.41Å; E183-V187 PolarHBondContact O-N 3.14Å; R184-V187 WeakPolarHBondContact O-CB 3.48Å; R184-V187 PolarHBondContact O-N 3.21Å; V187-R189 PolarHBondContact O-N 3.05Å; V187-V190 PolarHBondContact O-N 2.85Å; V187-V191 HydrophobicContact CG1-CG2 4.24Å; V187-V191 WeakPolarHBondContact O-CB 3.46Å; V187-V191 WeakPolarHBondContact O-CG2 3.14Å; V187-V191 PolarHBondContact O-N 2.81Å; V187-N263 VanDerWaalsContact CG1-OD1 3.29Å; V187-N263 WeakPolarHBondContact CG1-OD1 3.36Å; V187-H267 HydrophobicContact CG1-CB 3.61Å; V187-H267 HydrophobicContact CG2-CB 4.48Å
188	E	98.9	Very high	98.7	Very high	36 Å²	36	43.7 Å²	43.7	17%	0.168	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-50.2	178.1	177.7	-174.1	-144.7	0	0	110.8	R184 R185 E186 V191 V192 Y206 A247 I262	R184-E188 PolarHBondContact O-N 2.67Å; R185-E188 PolarHBondContact O-N 2.8Å; E186-E188 VanDerWaalsContact C-N 3.33Å; E186-E188 PolarHBondContact O-N 3.08Å; E188-V191 PolarHBondContact O-N 3.29Å; E188-V192 HydrophobicContact CG-CG2 4.17Å; E188-V192 VanDerWaalsContact O-CB 3.29Å; E188-V192 WeakPolarHBondContact O-CB 3.41Å; E188-V192 WeakPolarHBondContact O-CG2 3.33Å; E188-V192 PolarHBondContact O-N 2.95Å; E188-Y206 PolarHBondContact OE1-OH 2.81Å; E188-A247 HydrophobicContact CB-CB 4.16Å; E188-A247 VanDerWaalsContact OE2-CA 3.27Å; E188-A247 WeakPolarHBondContact OE2-CA 3.3Å; E188-A247 WeakPolarHBondContact OE2-CB 3.1Å; E188-I262 HydrophobicContact CB-CG2 4.33Å
189	R	98.8	Very high	98.6	Very high	110 Å²	110	50.3 Å²	50.3	42%	0.415	26%	0.262	S	S	.	.	H	α-helix	trans	-58.3	-51.9	179.9	-169.4	-165.8	68.6	72.9	-4.4	111.9	R185 E186 V187 V191 V192 D193	R185-R189 WeakPolarHBondContact O-CB 3.37Å; R185-R189 PolarHBondContact O-N 3.26Å; E186-R189 PolarHBondContact O-N 3.4Å; E186-R189 IonicContact OE1-CZ 2.95Å; E186-R189 IonicContact OE1-NE 3.18Å; E186-R189 PolarHBondContact OE1-NE 2.96Å; E186-R189 IonicContact OE1-NH2 3.17Å; E186-R189 PolarHBondContact OE1-NH2 2.91Å; E186-R189 IonicContact OE2-CZ 2.92Å; E186-R189 IonicContact OE2-NE 2.83Å; E186-R189 PolarHBondContact OE2-NE 3.45Å; E186-R189 IonicContact OE2-NH2 3.5Å; V187-R189 PolarHBondContact O-N 3.05Å; R189-V191 VanDerWaalsContact C-N 3.34Å; R189-V191 PolarHBondContact O-N 3.16Å; R189-V192 PolarHBondContact O-N 2.88Å; R189-D193 IonicContact CZ-OD2 3.99Å; R189-D193 IonicContact NH1-OD2 3.86Å; R189-D193 PolarHBondContact NH1-OD2 2.9Å; R189-D193 VanDerWaalsContact O-CB 3.27Å; R189-D193 WeakPolarHBondContact O-CB 3.43Å; R189-D193 PolarHBondContact O-N 3.28Å
190	V	98.7	Very high	98.6	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.036	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-46.4	-178.8	170	0	0	0	0	111.1	I170 E186 V187 A194 W302	I170-V190 HydrophobicContact CD1-CG1 4.42Å; E186-V190 HydrophobicContact CG-CG2 4.35Å; E186-V190 WeakPolarHBondContact O-CB 3.21Å; E186-V190 VanDerWaalsContact O-CG2 3.23Å; E186-V190 WeakPolarHBondContact O-CG2 3.49Å; E186-V190 PolarHBondContact O-N 3.09Å; V187-V190 PolarHBondContact O-N 2.85Å; V190-A194 PolarHBondContact O-N 3.5Å; V190-A194 VanDerWaalsContact O-N 3.16Å; V190-W302 HydrophobicContact CG1-CB 4.25Å; V190-W302 HydrophobicContact CG1-CD2 4.14Å; V190-W302 HydrophobicContact CG1-CG 3.77Å; V190-W302 HydrophobicContact CG2-CD2 3.98Å; V190-W302 HydrophobicContact CG2-CG 4.31Å; V190-W302 HydrophobicContact CG2-CH2 4.39Å; V190-W302 HydrophobicContact CG2-CZ2 3.63Å
191	V	98.8	Very high	98.5	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-68.9	-49.5	-178.4	175.9	0	0	0	0	110.1	I170 V187 E188 R189 D193 A194 L195 I262 T268	I170-V191 HydrophobicContact CD1-CG2 4.25Å; I170-V191 HydrophobicContact CG1-CG2 4.35Å; V187-V191 HydrophobicContact CG1-CG2 4.24Å; V187-V191 WeakPolarHBondContact O-CB 3.46Å; V187-V191 WeakPolarHBondContact O-CG2 3.14Å; V187-V191 PolarHBondContact O-N 2.81Å; E188-V191 PolarHBondContact O-N 3.29Å; R189-V191 VanDerWaalsContact C-N 3.34Å; R189-V191 PolarHBondContact O-N 3.16Å; V191-D193 VanDerWaalsContact C-N 3.33Å; V191-D193 PolarHBondContact O-N 3.09Å; V191-A194 PolarHBondContact O-N 3.35Å; V191-A194 VanDerWaalsContact O-N 3.13Å; V191-L195 HydrophobicContact CG1-CD1 3.77Å; V191-L195 HydrophobicContact CG1-CG 4.05Å; V191-L195 VanDerWaalsContact O-CG 3.24Å; V191-L195 WeakPolarHBondContact O-CG 3.4Å; V191-L195 PolarHBondContact O-N 2.92Å; V191-I262 HydrophobicContact CB-CD1 4.18Å; V191-I262 HydrophobicContact CG1-CD1 3.6Å; V191-I262 HydrophobicContact CG1-CG1 4.02Å; V191-T268 HydrophobicContact CB-CG2 4.34Å; V191-T268 HydrophobicContact CG1-CG2 3.84Å; V191-T268 HydrophobicContact CG2-CG2 3.54Å
192	V	98.6	Very high	98.5	Very high	35 Å²	35	49 Å²	49	21%	0.212	28%	0.277	C	S	.	.	H	α-helix	trans	-60.7	-42.1	-179.2	172.6	0	0	0	0	111.6	E188 R189 A194 L195 A196 Y206 I262	E188-V192 HydrophobicContact CG-CG2 4.17Å; E188-V192 VanDerWaalsContact O-CB 3.29Å; E188-V192 WeakPolarHBondContact O-CB 3.41Å; E188-V192 WeakPolarHBondContact O-CG2 3.33Å; E188-V192 PolarHBondContact O-N 2.95Å; R189-V192 PolarHBondContact O-N 2.88Å; V192-A194 VanDerWaalsContact C-N 3.32Å; V192-A194 PolarHBondContact O-N 3Å; V192-L195 PolarHBondContact O-N 3.04Å; V192-A196 PolarHBondContact O-N 3.11Å; V192-Y206 HydrophobicContact CG1-CD1 4.09Å; V192-Y206 HydrophobicContact CG1-CG 4.29Å; V192-Y206 HydrophobicContact CG2-CD1 3.64Å; V192-Y206 HydrophobicContact CG2-CD2 3.85Å; V192-Y206 HydrophobicContact CG2-CE1 3.72Å; V192-Y206 HydrophobicContact CG2-CE2 3.96Å; V192-Y206 HydrophobicContact CG2-CG 3.69Å; V192-I262 HydrophobicContact CG2-CD1 3.79Å
193	D	98.4	Very high	98.5	Very high	78 Å²	78	46.8 Å²	46.8	42%	0.417	26%	0.258	S	S	.	.	H	α-helix	trans	-60.4	-40.9	176	-75	-13.9	0	0	0	111.7	R189 V191	R189-D193 IonicContact CZ-OD2 3.99Å; R189-D193 IonicContact NH1-OD2 3.86Å; R189-D193 PolarHBondContact NH1-OD2 2.9Å; R189-D193 VanDerWaalsContact O-CB 3.27Å; R189-D193 WeakPolarHBondContact O-CB 3.43Å; R189-D193 PolarHBondContact O-N 3.28Å; V191-D193 VanDerWaalsContact C-N 3.33Å; V191-D193 PolarHBondContact O-N 3.09Å
194	A	98.4	Very high	98.4	Very high	3 Å²	3	46.3 Å²	46.3	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-67.5	-44.4	175.2	0	0	0	0	0	111.6	V190 V191 V192 A196 G197 L296 I297	V190-A194 PolarHBondContact O-N 3.5Å; V190-A194 VanDerWaalsContact O-N 3.16Å; V191-A194 PolarHBondContact O-N 3.35Å; V191-A194 VanDerWaalsContact O-N 3.13Å; V192-A194 VanDerWaalsContact C-N 3.32Å; V192-A194 PolarHBondContact O-N 3Å; A194-A196 VanDerWaalsContact C-N 3.27Å; A194-A196 PolarHBondContact O-N 3.26Å; A194-G197 WeakPolarHBondContact O-CA 3.12Å; A194-G197 PolarHBondContact O-N 3.48Å; A194-L296 HydrophobicContact CB-CB 4Å; A194-L296 WeakPolarHBondContact O-CD1 3.11Å; A194-I297 HydrophobicContact CB-CD1 4.47Å; A194-I297 HydrophobicContact CB-CG1 3.56Å
195	L	98.5	Very high	98.3	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-65.7	-28.6	-178.8	-63.4	-176.2	0	0	0	113.3	V191 V192 G197 L198 W251 I260 I262 V293	V191-L195 HydrophobicContact CG1-CD1 3.77Å; V191-L195 HydrophobicContact CG1-CG 4.05Å; V191-L195 VanDerWaalsContact O-CG 3.24Å; V191-L195 WeakPolarHBondContact O-CG 3.4Å; V191-L195 PolarHBondContact O-N 2.92Å; V192-L195 PolarHBondContact O-N 3.04Å; L195-G197 PolarHBondContact O-N 2.75Å; L195-L198 HydrophobicContact CD2-CD1 3.69Å; L195-L198 WeakPolarHBondContact O-CB 3.42Å; L195-L198 PolarHBondContact O-N 3.4Å; L195-L198 VanDerWaalsContact O-N 3.17Å; L195-W251 HydrophobicContact CB-CD2 4.38Å; L195-W251 HydrophobicContact CB-CG 4.22Å; L195-W251 HydrophobicContact CD1-CB 3.58Å; L195-W251 HydrophobicContact CD1-CD2 3.89Å; L195-W251 HydrophobicContact CD1-CE3 4.35Å; L195-W251 HydrophobicContact CD1-CG 3.54Å; L195-W251 HydrophobicContact CG-CG 4.43Å; L195-I260 HydrophobicContact CD1-CB 4.14Å; L195-I260 HydrophobicContact CD1-CD1 3.92Å; L195-I260 HydrophobicContact CD1-CG2 4.23Å; L195-I260 HydrophobicContact CD2-CD1 3.33Å; L195-I260 HydrophobicContact CG-CD1 4.26Å; L195-I262 HydrophobicContact CD1-CD1 4.31Å; L195-V293 HydrophobicContact CD2-CG1 4.31Å; L195-V293 HydrophobicContact CD2-CG2 3.7Å
196	A	98.2	Very high	98.3	Very high	87 Å²	87	46.1 Å²	46.1	72%	0.719	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.2	171.5	0	0	0	0	0	113.2	V192 A194	V192-A196 PolarHBondContact O-N 3.11Å; A194-A196 VanDerWaalsContact C-N 3.27Å; A194-A196 PolarHBondContact O-N 3.26Å
197	G	98	Very high	98.2	Very high	24 Å²	24	46.1 Å²	46.1	25%	0.247	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-12	175.7	0	0	0	0	0	114.8	A194 L195	A194-G197 WeakPolarHBondContact O-CA 3.12Å; A194-G197 PolarHBondContact O-N 3.48Å; L195-G197 PolarHBondContact O-N 2.75Å
198	L	98.4	Very high	98.1	Very high	9 Å²	9	47.1 Å²	47.1	5%	0.047	28%	0.275	C	S	.	.			trans	-69.3	137.7	-179.8	-66.2	176.2	0	0	0	111.6	L195 L202 W251 E292 V293 L296	L195-L198 HydrophobicContact CD2-CD1 3.69Å; L195-L198 WeakPolarHBondContact O-CB 3.42Å; L195-L198 PolarHBondContact O-N 3.4Å; L195-L198 VanDerWaalsContact O-N 3.17Å; L198-L202 HydrophobicContact CB-CB 4.24Å; L198-L202 WeakPolarHBondContact CB-O 3.27Å; L198-L202 HydrophobicContact CD2-CB 4.46Å; L198-W251 HydrophobicContact CB-CZ2 4.44Å; L198-W251 HydrophobicContact CD1-CH2 3.56Å; L198-W251 HydrophobicContact CD1-CZ2 3.58Å; L198-W251 HydrophobicContact CD1-CZ3 4.3Å; L198-E292 HydrophobicContact CD2-CB 4.1Å; L198-E292 HydrophobicContact CD2-CG 3.55Å; L198-V293 HydrophobicContact CD1-CG2 4.07Å; L198-V293 HydrophobicContact CD2-CG2 4.19Å; L198-L296 HydrophobicContact CD2-CD1 3.77Å; L198-L296 HydrophobicContact CG-CD1 4.2Å
199	K	98.1	Very high	97.9	Very high	169 Å²	169	46.7 Å²	46.7	74%	0.735	27%	0.274	S	S	*	.			trans	-126.2	172.4	-174.1	-63.8	179	-175.1	175.9	0	111.6	L202 A203	K199-L202 PolarHBondContact O-N 3.16Å; K199-A203 PolarHBondContact O-N 3.45Å
200	G	97.8	Very high	97.7	Very high	63 Å²	63	44.6 Å²	44.6	65%	0.649	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	64.9	-135.2	175.2	0	0	0	0	0	112.4	L202 A203	G200-L202 PolarHBondContact O-N 2.91Å; G200-A203 WeakPolarHBondContact O-CB 3.49Å; G200-A203 PolarHBondContact O-N 2.73Å; G200-A203 VanDerWaalsContact O-N 3.16Å
201	D	97.1	Very high	97.4	Very high	108 Å²	108	51.7 Å²	51.7	58%	0.578	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-69.9	-14.8	177.1	66.6	-50.7	0	0	0	113.4	N253	D201-N253 PolarHBondContact O-ND2 3.32Å
202	L	98.3	Very high	97.1	Very high	11 Å²	11	52.9 Å²	52.9	6%	0.058	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-91.1	-5.2	172.8	-59.8	176.3	0	0	0	113.1	L198 K199 G200 W251 F258 R285 T288	L198-L202 HydrophobicContact CB-CB 4.24Å; L198-L202 WeakPolarHBondContact CB-O 3.27Å; L198-L202 HydrophobicContact CD2-CB 4.46Å; K199-L202 PolarHBondContact O-N 3.16Å; G200-L202 PolarHBondContact O-N 2.91Å; L202-W251 WeakPolarHBondContact O-CH2 3.34Å; L202-W251 WeakPolarHBondContact O-CZ2 3.4Å; L202-F258 HydrophobicContact CD2-CB 4.29Å; L202-F258 HydrophobicContact CD2-CD1 3.79Å; L202-F258 HydrophobicContact CD2-CE1 4.31Å; L202-F258 HydrophobicContact CD2-CG 4.05Å; L202-R285 HydrophobicContact CD2-CG 4.22Å; L202-T288 HydrophobicContact CD1-CG2 4.44Å
203	A	98.6	Very high	96.8	Very high	25 Å²	25	54.6 Å²	54.6	21%	0.207	32%	0.323	C	S	.	.			trans	-63.9	138.9	175.3	0	0	0	0	0	110.8	K199 G200 N253 N254	K199-A203 PolarHBondContact O-N 3.45Å; G200-A203 WeakPolarHBondContact O-CB 3.49Å; G200-A203 PolarHBondContact O-N 2.73Å; G200-A203 VanDerWaalsContact O-N 3.16Å; A203-N253 CarbonylContact O-C 3.53Å; A203-N253 VanDerWaalsContact O-CA 3.24Å; A203-N253 WeakPolarHBondContact O-CA 3.35Å; A203-N253 WeakPolarHBondContact O-CB 3.29Å; A203-N254 PolarHBondContact O-N 2.71Å; A203-N254 PolarHBondContact O-ND2 3.17Å
204	G	97.8	Very high	96.2	Very high	27 Å²	27	57.4 Å²	57.4	28%	0.278	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	-177.8	-171.2	0	0	0	0	0	114.6	H252	G204-H252 CarbonylContact C-O 3.49Å; G204-H252 WeakPolarHBondContact CA-O 3.26Å
205	T	97.3	Very high	95.8	Very high	66 Å²	66	65 Å²	65	41%	0.405	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.5	-176.4	-57.5	0	0	0	0	110.4	Y207 W251 H252	T205-Y207 HydrophobicContact CG2-CD2 4.45Å; T205-Y207 HydrophobicContact CG2-CE1 4.22Å; T205-Y207 HydrophobicContact CG2-CE2 3.87Å; T205-Y207 WeakPolarHBondContact O-CE2 3.42Å; T205-W251 WeakPolarHBondContact O-CA 3.49Å; T205-H252 PolarHBondContact N-O 3.25Å; T205-H252 PolarHBondContact O-N 3.03Å; T205-H252 VanDerWaalsContact O-N 3.16Å
206	Y	97.9	Very high	95.4	Very high	51 Å²	51	68.3 Å²	68.3	20%	0.2	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.6	172.3	175.5	-114	0	0	0	110.9	E188 V192 G249 W251 I262	E188-Y206 PolarHBondContact OE1-OH 2.81Å; V192-Y206 HydrophobicContact CG1-CD1 4.09Å; V192-Y206 HydrophobicContact CG1-CG 4.29Å; V192-Y206 HydrophobicContact CG2-CD1 3.64Å; V192-Y206 HydrophobicContact CG2-CD2 3.85Å; V192-Y206 HydrophobicContact CG2-CE1 3.72Å; V192-Y206 HydrophobicContact CG2-CE2 3.96Å; V192-Y206 HydrophobicContact CG2-CG 3.69Å; Y206-G249 WeakPolarHBondContact OH-CA 3.36Å; Y206-G249 PolarHBondContact OH-N 2.78Å; Y206-W251 HydrophobicContact CD2-CB 4.14Å; Y206-I262 HydrophobicContact CD2-CD1 3.89Å; Y206-I262 HydrophobicContact CE2-CD1 3.58Å; Y206-I262 HydrophobicContact CE2-CG1 4.33Å
207	Y	96.8	Very high	94.8	Very high	57 Å²	57	68 Å²	68	22%	0.224	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	110.8	176.6	-55.5	-96.1	0	0	0	108.9	T205 G249 I250 H252	T205-Y207 HydrophobicContact CG2-CD2 4.45Å; T205-Y207 HydrophobicContact CG2-CE1 4.22Å; T205-Y207 HydrophobicContact CG2-CE2 3.87Å; T205-Y207 WeakPolarHBondContact O-CE2 3.42Å; Y207-G249 WeakPolarHBondContact O-CA 3.45Å; Y207-I250 PolarHBondContact N-O 2.83Å; Y207-I250 PolarHBondContact O-N 2.87Å; Y207-H252 AromaticContact CE2-CD2 3.76Å; Y207-H252 AromaticContact CE2-CE1 3.93Å; Y207-H252 AromaticContact CE2-NE2 3.28Å; Y207-H252 VanDerWaalsContact CE2-NE2 3.28Å; Y207-H252 WeakPolarHBondContact CE2-NE2 3.41Å; Y207-H252 AromaticContact CZ-NE2 3.89Å
208	S	96.8	Very high	94.1	Very high	21 Å²	21	71.5 Å²	71.5	15%	0.147	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	129.7	174.8	179.8	0	0	0	0	110.2	T210 H211 M212	S208-T210 PolarHBondContact O-N 3.3Å; S208-T210 VanDerWaalsContact O-N 3.16Å; S208-T210 PolarHBondContact OG-N 2.58Å; S208-H211 PolarHBondContact O-N 3.47Å; S208-H211 VanDerWaalsContact O-N 3.16Å; S208-M212 WeakPolarHBondContact O-CB 3.33Å; S208-M212 PolarHBondContact O-N 2.95Å
209	L	95.3	Very high	93.5	Very high	27 Å²	27	75.4 Å²	75.4	14%	0.141	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.1	176	-62.9	-166	0	0	0	112.9	H211 M212 L226 F227 W244 P245 R248	L209-H211 VanDerWaalsContact C-N 3.35Å; L209-M212 HydrophobicContact CD2-CE 3.6Å; L209-M212 HydrophobicContact CD2-SD 4.13Å; L209-L226 HydrophobicContact CD2-CD1 3.63Å; L209-F227 HydrophobicContact CD1-CD2 4.46Å; L209-F227 HydrophobicContact CD1-CE2 3.7Å; L209-F227 HydrophobicContact CD1-CZ 3.95Å; L209-W244 HydrophobicContact CD1-CH2 3.63Å; L209-W244 HydrophobicContact CD1-CZ2 3.52Å; L209-P245 HydrophobicContact CB-CB 3.84Å; L209-R248 HydrophobicContact CB-CB 4.48Å; L209-R248 WeakPolarHBondContact CB-O 3.45Å; L209-R248 HydrophobicContact CD1-CB 3.83Å; L209-R248 HydrophobicContact CG-CB 4.15Å; L209-R248 PolarHBondContact N-O 2.95Å
210	T	94.1	Very high	93	Very high	66 Å²	66	67.7 Å²	67.7	41%	0.405	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-28.4	178.9	-58.8	0	0	0	0	112.2	S208 P245	S208-T210 PolarHBondContact O-N 3.3Å; S208-T210 VanDerWaalsContact O-N 3.16Å; S208-T210 PolarHBondContact OG-N 2.58Å; T210-P245 PolarHBondContact OG1-O 3.23Å
211	H	92.9	Very high	92.1	Very high	155 Å²	155	67.6 Å²	67.6	72%	0.718	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	3.5	-173.5	-58.6	-54.7	0	0	0	113.3	S208 L209	S208-H211 PolarHBondContact O-N 3.47Å; S208-H211 VanDerWaalsContact O-N 3.16Å; L209-H211 VanDerWaalsContact C-N 3.35Å
212	M	91.9	Very high	91.2	Very high	26 Å²	26	66.9 Å²	66.9	13%	0.128	35%	0.346	C	S	.	.			trans	-65.4	133.2	178.1	-170.5	175.5	-73.9	0	0	110.2	S208 L209 E216 Q217 L220 L226 I250	S208-M212 WeakPolarHBondContact O-CB 3.33Å; S208-M212 PolarHBondContact O-N 2.95Å; L209-M212 HydrophobicContact CD2-CE 3.6Å; L209-M212 HydrophobicContact CD2-SD 4.13Å; M212-E216 HydrophobicContact CG-CB 3.7Å; M212-Q217 HydrophobicContact CG-CB 4.08Å; M212-Q217 VanDerWaalsContact SD-CA 3.5Å; M212-Q217 HydrophobicContact SD-CB 3.73Å; M212-Q217 HydrophobicContact SD-CG 4.03Å; M212-L220 HydrophobicContact CE-CD1 3.37Å; M212-L220 HydrophobicContact SD-CD1 3.84Å; M212-L226 HydrophobicContact CE-CD1 4.12Å; M212-L226 HydrophobicContact SD-CD1 4.25Å; M212-I250 HydrophobicContact CE-CG2 4Å
213	T	91.6	Very high	90.3	Very high	71 Å²	71	68.4 Å²	68.4	44%	0.436	36%	0.355	S	S	.	.			trans	-75.7	155.7	172.3	62.5	0	0	0	0	110.9	Q215 E216 Q217	T213-Q215 PolarHBondContact O-N 2.85Å; T213-Q215 VanDerWaalsContact O-N 3.15Å; T213-E216 WeakPolarHBondContact CB-OE2 3.41Å; T213-E216 PolarHBondContact N-OE2 2.8Å; T213-E216 PolarHBondContact O-N 2.88Å; T213-E216 VanDerWaalsContact O-N 3.13Å; T213-E216 WeakPolarHBondContact OG1-CB 3.15Å; T213-E216 VanDerWaalsContact OG1-CD 3.31Å; T213-E216 VanDerWaalsContact OG1-CG 3.25Å; T213-E216 WeakPolarHBondContact OG1-CG 3.38Å; T213-E216 PolarHBondContact OG1-N 3.37Å; T213-E216 PolarHBondContact OG1-OE2 3.28Å; T213-Q217 WeakPolarHBondContact O-CB 3.26Å; T213-Q217 PolarHBondContact O-N 2.83Å
214	D	87.3	Confident	89.3	Confident	137 Å²	137	74.4 Å²	74.4	73%	0.733	38%	0.378	S	S	*	.	H	α-helix	trans	-55.7	-33.7	175.9	-63.9	-15.4	0	0	0	112.2	Q218	D214-Q218 WeakPolarHBondContact O-CB 3.32Å; D214-Q218 PolarHBondContact O-N 2.95Å
215	Q	89.9	Confident	88.7	Confident	164 Å²	164	73.9 Å²	73.9	77%	0.766	37%	0.368	S	S	*	.	H	α-helix	trans	-69.1	-46.5	177.6	-175.4	179.4	2.2	0	0	112.2	T213 Q217 Q218 Q219	T213-Q215 PolarHBondContact O-N 2.85Å; T213-Q215 VanDerWaalsContact O-N 3.15Å; Q215-Q217 VanDerWaalsContact C-N 3.3Å; Q215-Q218 PolarHBondContact O-N 3.35Å; Q215-Q219 WeakPolarHBondContact O-CB 2.97Å; Q215-Q219 PolarHBondContact O-N 3.16Å
216	E	89.9	Confident	88.1	Confident	70 Å²	70	71.7 Å²	71.7	33%	0.327	35%	0.354	S	S	.	.	H	α-helix	trans	-62.8	-41.3	175.4	-72.2	164.7	139	0	0	110.9	M212 T213 Q219 L220	M212-E216 HydrophobicContact CG-CB 3.7Å; T213-E216 WeakPolarHBondContact CB-OE2 3.41Å; T213-E216 PolarHBondContact N-OE2 2.8Å; T213-E216 PolarHBondContact O-N 2.88Å; T213-E216 VanDerWaalsContact O-N 3.13Å; T213-E216 WeakPolarHBondContact OG1-CB 3.15Å; T213-E216 VanDerWaalsContact OG1-CD 3.31Å; T213-E216 VanDerWaalsContact OG1-CG 3.25Å; T213-E216 WeakPolarHBondContact OG1-CG 3.38Å; T213-E216 PolarHBondContact OG1-N 3.37Å; T213-E216 PolarHBondContact OG1-OE2 3.28Å; E216-Q219 PolarHBondContact O-N 3.19Å; E216-L220 VanDerWaalsContact O-CG 3.32Å; E216-L220 WeakPolarHBondContact O-CG 3.4Å; E216-L220 PolarHBondContact O-N 3.48Å
217	Q	85.7	Confident	87.4	Confident	82 Å²	82	69.8 Å²	69.8	38%	0.383	35%	0.347	S	S	.	.	H	α-helix	trans	-60	-51.4	176.8	-166.7	-177.9	9.5	0	0	111	M212 T213 Q215 Q219 L220 I221 L226	M212-Q217 HydrophobicContact CG-CB 4.08Å; M212-Q217 VanDerWaalsContact SD-CA 3.5Å; M212-Q217 HydrophobicContact SD-CB 3.73Å; M212-Q217 HydrophobicContact SD-CG 4.03Å; T213-Q217 WeakPolarHBondContact O-CB 3.26Å; T213-Q217 PolarHBondContact O-N 2.83Å; Q215-Q217 VanDerWaalsContact C-N 3.3Å; Q217-Q219 VanDerWaalsContact C-N 3.32Å; Q217-Q219 PolarHBondContact O-N 3.33Å; Q217-L220 PolarHBondContact O-N 2.86Å; Q217-I221 HydrophobicContact CG-CD1 4.07Å; Q217-I221 VanDerWaalsContact O-CG1 3.3Å; Q217-I221 WeakPolarHBondContact O-CG1 3.27Å; Q217-I221 PolarHBondContact O-N 3.35Å; Q217-L226 HydrophobicContact CG-CD2 3.46Å; Q217-L226 VanDerWaalsContact CG-CD2 3.46Å
218	Q	82.3	Confident	86.3	Confident	96 Å²	96	72.5 Å²	72.5	45%	0.449	37%	0.365	S	S	.	.	H	α-helix	trans	-60.8	-42.1	179	-171.3	61	55	0	0	111.4	D214 Q215 L220 I221 D222	D214-Q218 WeakPolarHBondContact O-CB 3.32Å; D214-Q218 PolarHBondContact O-N 2.95Å; Q215-Q218 PolarHBondContact O-N 3.35Å; Q218-L220 VanDerWaalsContact C-N 3.34Å; Q218-L220 PolarHBondContact O-N 2.93Å; Q218-I221 WeakPolarHBondContact O-CB 3.38Å; Q218-I221 PolarHBondContact O-N 3.5Å; Q218-D222 PolarHBondContact NE2-OD1 3.38Å; Q218-D222 WeakPolarHBondContact O-CB 3.39Å; Q218-D222 PolarHBondContact O-N 3.34Å
219	Q	87	Confident	85.5	Confident	91 Å²	91	77.3 Å²	77.3	43%	0.425	38%	0.384	S	S	.	.	H	α-helix	trans	-60.4	-42.8	177.3	-176.9	61.6	66.8	0	0	112	Q215 E216 Q217 I221 D222 D223	Q215-Q219 WeakPolarHBondContact O-CB 2.97Å; Q215-Q219 PolarHBondContact O-N 3.16Å; E216-Q219 PolarHBondContact O-N 3.19Å; Q217-Q219 VanDerWaalsContact C-N 3.32Å; Q217-Q219 PolarHBondContact O-N 3.33Å; Q219-I221 VanDerWaalsContact C-N 3.34Å; Q219-D222 PolarHBondContact O-N 2.9Å; Q219-D223 PolarHBondContact NE2-OD1 3.06Å; Q219-D223 VanDerWaalsContact NE2-OD1 3.12Å; Q219-D223 PolarHBondContact NE2-OD2 3.23Å; Q219-D223 VanDerWaalsContact NE2-OD2 3.11Å; Q219-D223 WeakPolarHBondContact O-CB 3.19Å; Q219-D223 PolarHBondContact O-N 3.02Å
220	L	86.7	Confident	85	Confident	7 Å²	7	76.6 Å²	76.6	4%	0.037	38%	0.38	C	S	.	.	H	α-helix	trans	-71.2	-29.4	178.4	-68.8	166.1	0	0	0	112.7	M212 E216 Q217 Q218 H224 F225 L226 I250	M212-L220 HydrophobicContact CE-CD1 3.37Å; M212-L220 HydrophobicContact SD-CD1 3.84Å; E216-L220 VanDerWaalsContact O-CG 3.32Å; E216-L220 WeakPolarHBondContact O-CG 3.4Å; E216-L220 PolarHBondContact O-N 3.48Å; Q217-L220 PolarHBondContact O-N 2.86Å; Q218-L220 VanDerWaalsContact C-N 3.34Å; Q218-L220 PolarHBondContact O-N 2.93Å; L220-H224 PolarHBondContact O-N 2.89Å; L220-F225 HydrophobicContact CD2-CB 4.18Å; L220-F225 HydrophobicContact CD2-CD2 4.23Å; L220-F225 PolarHBondContact O-N 3.37Å; L220-L226 HydrophobicContact CB-CB 3.86Å; L220-L226 HydrophobicContact CB-CD1 4.27Å; L220-L226 HydrophobicContact CB-CG 4.48Å; L220-L226 HydrophobicContact CD1-CD1 4.19Å; L220-L226 PolarHBondContact O-N 3.03Å; L220-I250 HydrophobicContact CD1-CG2 3.78Å
221	I	79.8	Confident	84.7	Confident	61 Å²	61	79.6 Å²	79.6	31%	0.313	40%	0.399	S	S	.	.	H	α-helix	trans	-66.8	-49.5	170.9	-70.3	166.1	0	0	0	110.1	Q217 Q218 Q219 D223 H224 L226	Q217-I221 HydrophobicContact CG-CD1 4.07Å; Q217-I221 VanDerWaalsContact O-CG1 3.3Å; Q217-I221 WeakPolarHBondContact O-CG1 3.27Å; Q217-I221 PolarHBondContact O-N 3.35Å; Q218-I221 WeakPolarHBondContact O-CB 3.38Å; Q218-I221 PolarHBondContact O-N 3.5Å; Q219-I221 VanDerWaalsContact C-N 3.34Å; I221-D223 VanDerWaalsContact C-N 3.25Å; I221-D223 PolarHBondContact O-N 2.78Å; I221-H224 WeakPolarHBondContact O-CA 3.35Å; I221-H224 PolarHBondContact O-N 2.8Å; I221-L226 HydrophobicContact CD1-CD2 4.23Å; I221-L226 HydrophobicContact CG1-CB 4.14Å; I221-L226 HydrophobicContact CG1-CD2 3.79Å
222	D	77.1	Confident	84.5	Confident	93 Å²	93	73 Å²	73	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-62.2	-35.2	-178.7	-68.1	-14.3	0	0	0	111.6	Q218 Q219 H224	Q218-D222 PolarHBondContact NE2-OD1 3.38Å; Q218-D222 WeakPolarHBondContact O-CB 3.39Å; Q218-D222 PolarHBondContact O-N 3.34Å; Q219-D222 PolarHBondContact O-N 2.9Å; D222-H224 PolarHBondContact O-N 2.99Å
223	D	79.8	Confident	84.5	Confident	44 Å²	44	74.7 Å²	74.7	24%	0.235	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-5	175.4	-66.1	-31.9	0	0	0	113.7	Q219 I221 F225 K256	Q219-D223 PolarHBondContact NE2-OD1 3.06Å; Q219-D223 VanDerWaalsContact NE2-OD1 3.12Å; Q219-D223 PolarHBondContact NE2-OD2 3.23Å; Q219-D223 VanDerWaalsContact NE2-OD2 3.11Å; Q219-D223 WeakPolarHBondContact O-CB 3.19Å; Q219-D223 PolarHBondContact O-N 3.02Å; I221-D223 VanDerWaalsContact C-N 3.25Å; I221-D223 PolarHBondContact O-N 2.78Å; D223-F225 VanDerWaalsContact C-N 3.31Å; D223-F225 HydrophobicContact CB-CD1 4.36Å; D223-F225 HydrophobicContact CB-CD2 3.36Å; D223-F225 HydrophobicContact CB-CE1 4.38Å; D223-F225 HydrophobicContact CB-CE2 3.35Å; D223-F225 HydrophobicContact CB-CG 3.87Å; D223-F225 HydrophobicContact CB-CZ 3.89Å; D223-F225 VanDerWaalsContact O-CD1 3.29Å; D223-F225 WeakPolarHBondContact O-CD1 3.13Å; D223-F225 VanDerWaalsContact O-CE1 3.27Å; D223-F225 WeakPolarHBondContact O-CE1 3.41Å; D223-F225 PolarHBondContact O-N 3.01Å; D223-K256 IonicContact OD1-NZ 3.76Å; D223-K256 WeakPolarHBondContact OD2-CE 3.24Å; D223-K256 IonicContact OD2-NZ 2.88Å; D223-K256 PolarHBondContact OD2-NZ 3.35Å
224	H	77.7	Confident	84.6	Confident	150 Å²	150	73.3 Å²	73.3	69%	0.694	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	35.3	-173.3	-52.8	-59.6	0	0	0	114.2	L220 I221 D222	L220-H224 PolarHBondContact O-N 2.89Å; I221-H224 WeakPolarHBondContact O-CA 3.35Å; I221-H224 PolarHBondContact O-N 2.8Å; D222-H224 PolarHBondContact O-N 2.99Å
225	F	85.7	Confident	84.9	Confident	17 Å²	17	68.3 Å²	68.3	8%	0.075	35%	0.346	C	S	.	.			trans	-103.9	-31.3	-179.8	-61.3	-25.7	0	0	0	113.6	L220 D223 I250 K256 L259 W261 M273	L220-F225 HydrophobicContact CD2-CB 4.18Å; L220-F225 HydrophobicContact CD2-CD2 4.23Å; L220-F225 PolarHBondContact O-N 3.37Å; D223-F225 VanDerWaalsContact C-N 3.31Å; D223-F225 HydrophobicContact CB-CD1 4.36Å; D223-F225 HydrophobicContact CB-CD2 3.36Å; D223-F225 HydrophobicContact CB-CE1 4.38Å; D223-F225 HydrophobicContact CB-CE2 3.35Å; D223-F225 HydrophobicContact CB-CG 3.87Å; D223-F225 HydrophobicContact CB-CZ 3.89Å; D223-F225 VanDerWaalsContact O-CD1 3.29Å; D223-F225 WeakPolarHBondContact O-CD1 3.13Å; D223-F225 VanDerWaalsContact O-CE1 3.27Å; D223-F225 WeakPolarHBondContact O-CE1 3.41Å; D223-F225 PolarHBondContact O-N 3.01Å; F225-I250 HydrophobicContact CB-CD1 3.84Å; F225-I250 WeakPolarHBondContact O-CD1 3.34Å; F225-K256 HydrophobicContact CD2-CG 4.49Å; F225-K256 HydrophobicContact CE2-CB 3.49Å; F225-K256 VanDerWaalsContact CE2-CB 3.49Å; F225-K256 HydrophobicContact CE2-CD 3.73Å; F225-K256 HydrophobicContact CE2-CG 3.63Å; F225-K256 HydrophobicContact CZ-CB 3.65Å; F225-K256 HydrophobicContact CZ-CD 4.48Å; F225-K256 HydrophobicContact CZ-CG 4.3Å; F225-L259 HydrophobicContact CB-CD2 3.63Å; F225-L259 HydrophobicContact CD1-CD2 3.41Å; F225-L259 VanDerWaalsContact CD1-CD2 3.41Å; F225-L259 HydrophobicContact CD2-CD2 3.83Å; F225-L259 HydrophobicContact CE1-CD1 4.5Å; F225-L259 HydrophobicContact CE1-CD2 3.99Å; F225-L259 HydrophobicContact CE2-CD2 4.36Å; F225-L259 HydrophobicContact CG-CD2 3.34Å; F225-L259 HydrophobicContact CZ-CD2 4.44Å; F225-W261 VanDerWaalsContact O-CE2 3.32Å; F225-W261 WeakPolarHBondContact O-CZ2 3.46Å; F225-W261 PolarHBondContact O-NE1 2.76Å; F225-M273 HydrophobicContact CD1-SD 4.38Å; F225-M273 HydrophobicContact CE1-CE 4.16Å; F225-M273 HydrophobicContact CE1-SD 4.15Å
226	L	83.6	Confident	85.2	Confident	20 Å²	20	63.5 Å²	63.5	11%	0.105	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-72.2	141.9	-179.2	-158.7	63.3	0	0	0	110.9	L209 M212 Q217 L220 I221 I250	L209-L226 HydrophobicContact CD2-CD1 3.63Å; M212-L226 HydrophobicContact CE-CD1 4.12Å; M212-L226 HydrophobicContact SD-CD1 4.25Å; Q217-L226 HydrophobicContact CG-CD2 3.46Å; Q217-L226 VanDerWaalsContact CG-CD2 3.46Å; L220-L226 HydrophobicContact CB-CB 3.86Å; L220-L226 HydrophobicContact CB-CD1 4.27Å; L220-L226 HydrophobicContact CB-CG 4.48Å; L220-L226 HydrophobicContact CD1-CD1 4.19Å; L220-L226 PolarHBondContact O-N 3.03Å; I221-L226 HydrophobicContact CD1-CD2 4.23Å; I221-L226 HydrophobicContact CG1-CB 4.14Å; I221-L226 HydrophobicContact CG1-CD2 3.79Å; L226-I250 HydrophobicContact CD1-CG2 4.15Å
227	F	83.1	Confident	85.6	Confident	10 Å²	10	62 Å²	62	4%	0.044	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-96.5	137.4	164.5	54.4	-88.5	0	0	0	109	L209 W244 R248 G249 I250 W261 E264	L209-F227 HydrophobicContact CD1-CD2 4.46Å; L209-F227 HydrophobicContact CD1-CE2 3.7Å; L209-F227 HydrophobicContact CD1-CZ 3.95Å; F227-W244 AromaticContact CD2-CH2 3.61Å; F227-W244 HydrophobicContact CD2-CH2 3.61Å; F227-W244 HydrophobicContact CD2-CZ3 4.28Å; F227-W244 AromaticContact CE2-CH2 3.46Å; F227-W244 HydrophobicContact CE2-CH2 3.46Å; F227-W244 VanDerWaalsContact CE2-CH2 3.46Å; F227-W244 AromaticContact CE2-CZ3 3.94Å; F227-W244 HydrophobicContact CE2-CZ3 3.94Å; F227-R248 HydrophobicContact CE2-CB 4.38Å; F227-R248 HydrophobicContact CE2-CG 4.46Å; F227-R248 HydrophobicContact CZ-CB 4.38Å; F227-G249 WeakPolarHBondContact CE1-O 3.35Å; F227-I250 HydrophobicContact CE1-CB 4.45Å; F227-W261 HydrophobicContact CB-CD2 4.2Å; F227-W261 HydrophobicContact CB-CE3 4Å; F227-W261 HydrophobicContact CB-CH2 3.95Å; F227-W261 HydrophobicContact CB-CZ2 4.15Å; F227-W261 HydrophobicContact CB-CZ3 3.88Å; F227-W261 HydrophobicContact CD1-CB 3.8Å; F227-W261 AromaticContact CD1-CD1 3.61Å; F227-W261 AromaticContact CD1-CD2 3.44Å; F227-W261 HydrophobicContact CD1-CD2 3.44Å; F227-W261 VanDerWaalsContact CD1-CD2 3.44Å; F227-W261 AromaticContact CD1-CE2 3.74Å; F227-W261 AromaticContact CD1-CE3 3.94Å; F227-W261 HydrophobicContact CD1-CE3 3.94Å; F227-W261 AromaticContact CD1-CG 3.37Å; F227-W261 HydrophobicContact CD1-CG 3.37Å; F227-W261 HydrophobicContact CD1-CZ2 4.44Å; F227-W261 AromaticContact CD1-NE1 3.8Å; F227-W261 HydrophobicContact CE1-CB 3.56Å; F227-W261 AromaticContact CE1-CD1 3.81Å; F227-W261 HydrophobicContact CE1-CD2 4.16Å; F227-W261 AromaticContact CE1-CG 3.59Å; F227-W261 HydrophobicContact CE1-CG 3.59Å; F227-W261 HydrophobicContact CG-CD2 4.15Å; F227-W261 HydrophobicContact CG-CE3 4.22Å; F227-W261 HydrophobicContact CG-CG 4.44Å; F227-W261 HydrophobicContact CZ-CB 4.43Å; F227-E264 HydrophobicContact CB-CG 4.09Å; F227-E264 HydrophobicContact CD1-CG 4.47Å; F227-E264 HydrophobicContact CD2-CB 3.81Å; F227-E264 HydrophobicContact CD2-CG 3.23Å; F227-E264 HydrophobicContact CE2-CB 3.69Å; F227-E264 HydrophobicContact CE2-CG 3.64Å; F227-E264 HydrophobicContact CG-CB 4.25Å; F227-E264 HydrophobicContact CG-CG 3.7Å; F227-E264 HydrophobicContact CZ-CB 4.06Å; F227-E264 HydrophobicContact CZ-CG 4.41Å
228	D	75.3	Confident	86.2	Confident	115 Å²	115	58.5 Å²	58.5	62%	0.615	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-79.1	167.5	178.6	-69.7	-41.7	0	0	0	111.7	P230	D228-P230 WeakPolarHBondContact O-CD 3.47Å
229	K	79.6	Confident	86.9	Confident	122 Å²	122	54.9 Å²	54.9	53%	0.53	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-51.8	129.2	167.2	-177.5	175.2	-179.3	178.7	0	108.8	V231 W244	K229-V231 WeakPolarHBondContact O-CG1 3.29Å; K229-V231 PolarHBondContact O-N 3.15Å; K229-W244 VanDerWaalsContact CA-CZ2 3.5Å; K229-W244 HydrophobicContact CB-CD2 4.32Å; K229-W244 HydrophobicContact CB-CZ2 4.08Å; K229-W244 HydrophobicContact CD-CG 4.22Å; K229-W244 HydrophobicContact CG-CD2 4.04Å; K229-W244 HydrophobicContact CG-CG 3.93Å
230	P	84.7	Confident	87.4	Confident	11 Å²	11	50.9 Å²	50.9	7%	0.071	28%	0.278	C	S	.	.			trans	-56.4	108.5	178.1	-28.6	35.4	0	0	0	111.5	D228 L235 T236 A241 W244	D228-P230 WeakPolarHBondContact O-CD 3.47Å; P230-L235 HydrophobicContact CB-CB 3.95Å; P230-L235 HydrophobicContact CB-CD1 3.84Å; P230-L235 HydrophobicContact CG-CD1 4.44Å; P230-T236 WeakPolarHBondContact O-CG2 3.39Å; P230-A241 HydrophobicContact CB-CB 4.25Å; P230-W244 VanDerWaalsContact CD-CZ3 3.44Å; P230-W244 HydrophobicContact CG-CE3 4.41Å; P230-W244 HydrophobicContact CG-CZ3 4.16Å
231	V	87.4	Confident	87.9	Confident	130 Å²	130	51.6 Å²	51.6	79%	0.788	29%	0.285	S	S	*	.			trans	-102.5	-14	173.7	-66.3	0	0	0	0	112.3	K229	K229-V231 WeakPolarHBondContact O-CG1 3.29Å; K229-V231 PolarHBondContact O-N 3.15Å
232	S	89.3	Confident	88.8	Confident	15 Å²	15	52.6 Å²	52.6	11%	0.105	29%	0.285	C	S	.	.			trans	-63.1	127.2	177.8	-177.8	0	0	0	0	109.6	L234 L235 T236	S232-L234 PolarHBondContact O-N 2.94Å; S232-L234 VanDerWaalsContact O-N 3.14Å; S232-L235 PolarHBondContact O-N 2.89Å; S232-T236 PolarHBondContact O-N 2.97Å
233	P	92.1	Very high	89.8	Confident	63 Å²	63	50.8 Å²	50.8	41%	0.409	28%	0.276	S	S	.	.	H	α-helix	trans	-62.9	-23.4	179.3	28.4	-36.3	0	0	0	112	N96 L235 T236 C237	N96-P233 PolarHBondContact ND2-O 3.31Å; N96-P233 WeakPolarHBondContact OD1-CB 3.47Å; P233-L235 VanDerWaalsContact C-N 3.28Å; P233-L235 PolarHBondContact O-N 3.26Å; P233-T236 WeakPolarHBondContact CA-OG1 3.09Å; P233-C237 WeakPolarHBondContact O-CB 3.3Å; P233-C237 PolarHBondContact O-N 3.48Å; P233-C237 PolarHBondContact O-SG 3.45Å; P233-C237 VanDerWaalsContact O-SG 3.34Å
234	L	92.6	Very high	90.6	Very high	41 Å²	41	51.4 Å²	51.4	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-35	173.6	-61.1	176.4	0	0	0	112.5	T92 N96 T104 S232 S238	T92-L234 WeakPolarHBondContact OG1-CA 3.49Å; T92-L234 PolarHBondContact OG1-O 3.42Å; N96-L234 HydrophobicContact CB-CD2 3.79Å; T104-L234 HydrophobicContact CG2-CD1 3.85Å; T104-L234 HydrophobicContact CG2-CD2 4.2Å; S232-L234 PolarHBondContact O-N 2.94Å; S232-L234 VanDerWaalsContact O-N 3.14Å; L234-S238 PolarHBondContact O-OG 3.16Å
235	L	94.3	Very high	91.5	Very high	33 Å²	33	46.4 Å²	46.4	17%	0.173	26%	0.256	C	S	.	.	H	α-helix	trans	-88.2	-37	-179.8	-62.6	176.3	0	0	0	112.1	P230 S232 P233 S238 M240 E265	P230-L235 HydrophobicContact CB-CB 3.95Å; P230-L235 HydrophobicContact CB-CD1 3.84Å; P230-L235 HydrophobicContact CG-CD1 4.44Å; S232-L235 PolarHBondContact O-N 2.89Å; P233-L235 VanDerWaalsContact C-N 3.28Å; P233-L235 PolarHBondContact O-N 3.26Å; L235-S238 WeakPolarHBondContact CA-OG 3.49Å; L235-S238 PolarHBondContact O-OG 3.09Å; L235-M240 HydrophobicContact CD2-CE 3.61Å; L235-M240 HydrophobicContact CD2-SD 3.75Å; L235-M240 WeakPolarHBondContact O-CB 3.11Å; L235-M240 PolarHBondContact O-N 3.17Å; L235-E265 HydrophobicContact CD2-CB 4.25Å
236	T	96.6	Very high	92.1	Very high	62 Å²	62	47.2 Å²	47.2	38%	0.38	26%	0.261	S	S	.	.	H	α-helix	trans	-73.5	-41.3	179.9	58.8	0	0	0	0	111.5	P230 S232 P233 S238 G239 A241	P230-T236 WeakPolarHBondContact O-CG2 3.39Å; S232-T236 PolarHBondContact O-N 2.97Å; P233-T236 WeakPolarHBondContact CA-OG1 3.09Å; T236-S238 VanDerWaalsContact C-N 3.25Å; T236-S238 PolarHBondContact O-N 2.73Å; T236-G239 PolarHBondContact O-N 3.44Å; T236-A241 HydrophobicContact CG2-CB 4.01Å
237	C	97.4	Very high	92.8	Very high	39 Å²	39	46.4 Å²	46.4	26%	0.264	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-18.5	177.3	-68.1	0	0	0	0	113.4	D95 P233 G239	D95-C237 HydrophobicContact CB-CB 4.03Å; D95-C237 WeakPolarHBondContact OD2-CB 3.4Å; D95-C237 PolarHBondContact OD2-SG 3.42Å; P233-C237 WeakPolarHBondContact O-CB 3.3Å; P233-C237 PolarHBondContact O-N 3.48Å; P233-C237 PolarHBondContact O-SG 3.45Å; P233-C237 VanDerWaalsContact O-SG 3.34Å; C237-G239 VanDerWaalsContact C-N 3.31Å
238	S	97.6	Very high	93.5	Very high	8 Å²	8	46 Å²	46	6%	0.056	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	4.7	169.9	57.3	0	0	0	0	113.2	P177 L234 L235 T236 M240	P177-S238 WeakPolarHBondContact CA-O 3.24Å; P177-S238 VanDerWaalsContact CB-O 3.3Å; P177-S238 WeakPolarHBondContact CB-O 3.33Å; L234-S238 PolarHBondContact O-OG 3.16Å; L235-S238 WeakPolarHBondContact CA-OG 3.49Å; L235-S238 PolarHBondContact O-OG 3.09Å; T236-S238 VanDerWaalsContact C-N 3.25Å; T236-S238 PolarHBondContact O-N 2.73Å; S238-M240 VanDerWaalsContact C-N 3.3Å; S238-M240 PolarHBondContact O-N 3.08Å; S238-M240 VanDerWaalsContact OG-CG 3.28Å; S238-M240 WeakPolarHBondContact OG-CG 3.32Å; S238-M240 PolarHBondContact OG-SD 2.94Å
239	G	97.8	Very high	94.5	Very high	20 Å²	20	40.5 Å²	40.5	21%	0.206	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	14	177.8	0	0	0	0	0	115	T236 C237 A241 R242	T236-G239 PolarHBondContact O-N 3.44Å; C237-G239 VanDerWaalsContact C-N 3.31Å; G239-A241 VanDerWaalsContact C-N 3.31Å; G239-A241 PolarHBondContact O-N 2.81Å; G239-R242 VanDerWaalsContact O-CG 3.3Å; G239-R242 WeakPolarHBondContact O-CG 3.28Å; G239-R242 PolarHBondContact O-NE 3.4Å
240	M	98.3	Very high	95.4	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.034	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.7	-175.1	-61.5	167.7	63	0	0	113.1	P176 P177 L235 S238 R248 E265 T315	P176-M240 HydrophobicContact CB-CB 4.43Å; P176-M240 HydrophobicContact CB-CE 4.28Å; P176-M240 HydrophobicContact CB-CG 4.16Å; P177-M240 HydrophobicContact CB-CG 4.49Å; P177-M240 HydrophobicContact CG-CG 3.84Å; P177-M240 HydrophobicContact CG-SD 4.18Å; L235-M240 HydrophobicContact CD2-CE 3.61Å; L235-M240 HydrophobicContact CD2-SD 3.75Å; L235-M240 WeakPolarHBondContact O-CB 3.11Å; L235-M240 PolarHBondContact O-N 3.17Å; S238-M240 VanDerWaalsContact C-N 3.3Å; S238-M240 PolarHBondContact O-N 3.08Å; S238-M240 VanDerWaalsContact OG-CG 3.28Å; S238-M240 WeakPolarHBondContact OG-CG 3.32Å; S238-M240 PolarHBondContact OG-SD 2.94Å; M240-R248 PolarHBondContact O-NH2 2.87Å; M240-E265 HydrophobicContact CE-CB 3.73Å; M240-E265 WeakPolarHBondContact CE-O 3.29Å; M240-T315 HydrophobicContact CE-CG2 4.15Å; M240-T315 HydrophobicContact SD-CG2 4.12Å
241	A	97.5	Very high	96.1	Very high	22 Å²	22	34.4 Å²	34.4	18%	0.182	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	4	178.6	0	0	0	0	0	114.6	P230 T236 G239	P230-A241 HydrophobicContact CB-CB 4.25Å; T236-A241 HydrophobicContact CG2-CB 4.01Å; G239-A241 VanDerWaalsContact C-N 3.31Å; G239-A241 PolarHBondContact O-N 2.81Å
242	R	98	Very high	96.6	Very high	83 Å²	83	28.8 Å²	28.8	31%	0.313	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	143.2	-177.7	-71.3	177.2	-60	105.9	-2.1	112.1	P176 P177 C179 R184 G239 W244 R248	P176-R242 PolarHBondContact O-NH2 3.37Å; P177-R242 PolarHBondContact O-NH2 2.88Å; C179-R242 PolarHBondContact O-NH1 2.86Å; C179-R242 PolarHBondContact O-NH2 2.82Å; R184-R242 PolarHBondContact NH1-O 3.02Å; G239-R242 VanDerWaalsContact O-CG 3.3Å; G239-R242 WeakPolarHBondContact O-CG 3.28Å; G239-R242 PolarHBondContact O-NE 3.4Å; R242-W244 PolarHBondContact O-N 3.22Å; R242-W244 VanDerWaalsContact O-N 3.11Å; R242-R248 PolarHBondContact O-NH1 3Å; R242-R248 PolarHBondContact O-NH2 2.89Å
243	D	97.9	Very high	97	Very high	55 Å²	55	28 Å²	28	29%	0.294	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	20.4	176.7	-38.6	-84.1	0	0	0	115.2	R181 R184 D246	R181-D243 WeakPolarHBondContact CD-OD1 3.3Å; R181-D243 HydrophobicContact CG-CB 4.09Å; R181-D243 VanDerWaalsContact CG-CG 3.49Å; R181-D243 IonicContact CZ-OD1 2.98Å; R181-D243 IonicContact NH1-OD1 2.86Å; R181-D243 PolarHBondContact NH1-OD1 3.05Å; R184-D243 IonicContact CZ-OD2 3.89Å; R184-D243 IonicContact NH1-OD2 3.99Å; R184-D243 PolarHBondContact NH1-OD2 2.81Å; R184-D243 IonicContact NH2-OD2 2.84Å; D243-D246 HydrophobicContact CB-CB 4.18Å; D243-D246 WeakPolarHBondContact O-CB 3.38Å; D243-D246 PolarHBondContact O-N 3.17Å
244	W	96.1	Very high	97.2	Very high	57 Å²	57	30.6 Å²	30.6	22%	0.216	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	135.4	-179.1	-177.3	-83.6	0	0	0	112.8	L209 F227 K229 P230 R242 R248	L209-W244 HydrophobicContact CD1-CH2 3.63Å; L209-W244 HydrophobicContact CD1-CZ2 3.52Å; F227-W244 AromaticContact CD2-CH2 3.61Å; F227-W244 HydrophobicContact CD2-CH2 3.61Å; F227-W244 HydrophobicContact CD2-CZ3 4.28Å; F227-W244 AromaticContact CE2-CH2 3.46Å; F227-W244 HydrophobicContact CE2-CH2 3.46Å; F227-W244 VanDerWaalsContact CE2-CH2 3.46Å; F227-W244 AromaticContact CE2-CZ3 3.94Å; F227-W244 HydrophobicContact CE2-CZ3 3.94Å; K229-W244 VanDerWaalsContact CA-CZ2 3.5Å; K229-W244 HydrophobicContact CB-CD2 4.32Å; K229-W244 HydrophobicContact CB-CZ2 4.08Å; K229-W244 HydrophobicContact CD-CG 4.22Å; K229-W244 HydrophobicContact CG-CD2 4.04Å; K229-W244 HydrophobicContact CG-CG 3.93Å; P230-W244 VanDerWaalsContact CD-CZ3 3.44Å; P230-W244 HydrophobicContact CG-CE3 4.41Å; P230-W244 HydrophobicContact CG-CZ3 4.16Å; R242-W244 PolarHBondContact O-N 3.22Å; R242-W244 VanDerWaalsContact O-N 3.11Å; W244-R248 HydrophobicContact CE3-CG 4.22Å; W244-R248 HydrophobicContact CZ3-CB 4.47Å; W244-R248 HydrophobicContact CZ3-CG 3.91Å
245	P	96.1	Very high	97.4	Very high	45 Å²	45	33 Å²	33	29%	0.292	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	cis	-97.8	21.5	3.6	38.7	-35.8	0	0	0	115	L209 T210 A247 R248	L209-P245 HydrophobicContact CB-CB 3.84Å; T210-P245 PolarHBondContact OG1-O 3.23Å; P245-A247 PolarHBondContact O-N 3.38Å; P245-R248 PolarHBondContact O-N 2.87Å; P245-R248 VanDerWaalsContact O-N 3.13Å
246	D	98.3	Very high	97.5	Very high	34 Å²	34	34.7 Å²	34.7	18%	0.182	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	127.6	-175	-175.6	-100.3	0	0	0	112.1	R184 R185 D243 R248	R184-D246 WeakPolarHBondContact CD-O 2.98Å; R185-D246 IonicContact CZ-OD1 2.87Å; R185-D246 IonicContact CZ-OD2 3.47Å; R185-D246 IonicContact NE-OD1 3.83Å; R185-D246 PolarHBondContact NE-OD1 3.25Å; R185-D246 IonicContact NE-OD2 3.61Å; R185-D246 PolarHBondContact NE-OD2 3.1Å; R185-D246 IonicContact NH2-OD1 2.85Å; R185-D246 IonicContact NH2-OD2 3.75Å; R185-D246 PolarHBondContact NH2-OD2 3.07Å; D243-D246 HydrophobicContact CB-CB 4.18Å; D243-D246 WeakPolarHBondContact O-CB 3.38Å; D243-D246 PolarHBondContact O-N 3.17Å; D246-R248 VanDerWaalsContact C-N 3.25Å; D246-R248 WeakPolarHBondContact O-CD 3.31Å; D246-R248 PolarHBondContact O-N 2.95Å; D246-R248 PolarHBondContact O-NH1 2.77Å
247	A	98.4	Very high	97.5	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.025	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	27.5	179.7	0	0	0	0	0	115.7	R184 R185 E188 P245 N263	R184-A247 HydrophobicContact CB-CB 4.41Å; R184-A247 HydrophobicContact CG-CB 3.89Å; R185-A247 HydrophobicContact CB-CB 4.37Å; R185-A247 HydrophobicContact CG-CB 3.7Å; E188-A247 HydrophobicContact CB-CB 4.16Å; E188-A247 VanDerWaalsContact OE2-CA 3.27Å; E188-A247 WeakPolarHBondContact OE2-CA 3.3Å; E188-A247 WeakPolarHBondContact OE2-CB 3.1Å; P245-A247 PolarHBondContact O-N 3.38Å; A247-N263 VanDerWaalsContact O-CB 3.29Å; A247-N263 WeakPolarHBondContact O-CB 3.3Å; A247-N263 PolarHBondContact O-ND2 3.24Å
248	R	98.4	Very high	97.6	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	17%	0.169	C	C	.	.			trans	-107.2	147.3	171.3	-80.5	65.1	167.8	-138.6	-5.8	110.1	R184 L209 F227 M240 R242 W244 P245 D246 N263	R184-R248 VanDerWaalsContact NE-CZ 3.35Å; L209-R248 HydrophobicContact CB-CB 4.48Å; L209-R248 WeakPolarHBondContact CB-O 3.45Å; L209-R248 HydrophobicContact CD1-CB 3.83Å; L209-R248 HydrophobicContact CG-CB 4.15Å; L209-R248 PolarHBondContact N-O 2.95Å; F227-R248 HydrophobicContact CE2-CB 4.38Å; F227-R248 HydrophobicContact CE2-CG 4.46Å; F227-R248 HydrophobicContact CZ-CB 4.38Å; M240-R248 PolarHBondContact O-NH2 2.87Å; R242-R248 PolarHBondContact O-NH1 3Å; R242-R248 PolarHBondContact O-NH2 2.89Å; W244-R248 HydrophobicContact CE3-CG 4.22Å; W244-R248 HydrophobicContact CZ3-CB 4.47Å; W244-R248 HydrophobicContact CZ3-CG 3.91Å; P245-R248 PolarHBondContact O-N 2.87Å; P245-R248 VanDerWaalsContact O-N 3.13Å; D246-R248 VanDerWaalsContact C-N 3.25Å; D246-R248 WeakPolarHBondContact O-CD 3.31Å; D246-R248 PolarHBondContact O-N 2.95Å; D246-R248 PolarHBondContact O-NH1 2.77Å; R248-N263 WeakPolarHBondContact CD-O 3.38Å; R248-N263 HydrophobicContact CG-CB 4.01Å; R248-N263 WeakPolarHBondContact CG-O 3.19Å; R248-N263 PolarHBondContact NE-O 3.38Å
249	G	97.4	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	178.1	175.3	0	0	0	0	0	113.1	Y206 Y207 F227 I262	Y206-G249 WeakPolarHBondContact OH-CA 3.36Å; Y206-G249 PolarHBondContact OH-N 2.78Å; Y207-G249 WeakPolarHBondContact O-CA 3.45Å; F227-G249 WeakPolarHBondContact CE1-O 3.35Å; G249-I262 PolarHBondContact N-O 3.44Å; G249-I262 PolarHBondContact O-N 3.38Å
250	I	97.9	Very high	97.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.8	177.4	179.4	165.9	0	0	0	108.7	Y207 M212 L220 F225 L226 F227 L259	Y207-I250 PolarHBondContact N-O 2.83Å; Y207-I250 PolarHBondContact O-N 2.87Å; M212-I250 HydrophobicContact CE-CG2 4Å; L220-I250 HydrophobicContact CD1-CG2 3.78Å; F225-I250 HydrophobicContact CB-CD1 3.84Å; F225-I250 WeakPolarHBondContact O-CD1 3.34Å; L226-I250 HydrophobicContact CD1-CG2 4.15Å; F227-I250 HydrophobicContact CE1-CB 4.45Å; I250-L259 HydrophobicContact CD1-CD2 4.22Å
251	W	98.3	Very high	97.6	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.2	164.6	177.1	99.8	0	0	0	108.8	L195 L198 L202 T205 Y206 N253 F258 L259 I260	L195-W251 HydrophobicContact CB-CD2 4.38Å; L195-W251 HydrophobicContact CB-CG 4.22Å; L195-W251 HydrophobicContact CD1-CB 3.58Å; L195-W251 HydrophobicContact CD1-CD2 3.89Å; L195-W251 HydrophobicContact CD1-CE3 4.35Å; L195-W251 HydrophobicContact CD1-CG 3.54Å; L195-W251 HydrophobicContact CG-CG 4.43Å; L198-W251 HydrophobicContact CB-CZ2 4.44Å; L198-W251 HydrophobicContact CD1-CH2 3.56Å; L198-W251 HydrophobicContact CD1-CZ2 3.58Å; L198-W251 HydrophobicContact CD1-CZ3 4.3Å; L202-W251 WeakPolarHBondContact O-CH2 3.34Å; L202-W251 WeakPolarHBondContact O-CZ2 3.4Å; T205-W251 WeakPolarHBondContact O-CA 3.49Å; Y206-W251 HydrophobicContact CD2-CB 4.14Å; W251-N253 HydrophobicContact CH2-CB 3.97Å; W251-N253 HydrophobicContact CZ3-CB 4.5Å; W251-F258 AromaticContact CH2-CD1 3.83Å; W251-F258 HydrophobicContact CH2-CD1 3.83Å; W251-F258 HydrophobicContact CH2-CE1 4.43Å; W251-F258 AromaticContact CZ3-CD1 3.51Å; W251-F258 HydrophobicContact CZ3-CD1 3.51Å; W251-F258 HydrophobicContact CZ3-CE1 4.07Å; W251-F258 HydrophobicContact CZ3-CG 4.39Å; W251-F258 WeakPolarHBondContact CZ3-O 3.3Å; W251-L259 CarbonylContact O-C 3.45Å; W251-L259 WeakPolarHBondContact O-CA 3.45Å; W251-I260 HydrophobicContact CE3-CB 4.22Å; W251-I260 HydrophobicContact CE3-CD1 4.12Å; W251-I260 HydrophobicContact CE3-CG1 4.04Å; W251-I260 HydrophobicContact CZ3-CD1 4.33Å; W251-I260 HydrophobicContact CZ3-CG1 4.39Å; W251-I260 PolarHBondContact N-O 3.06Å; W251-I260 PolarHBondContact O-N 3.25Å
252	H	98	Very high	97.7	Very high	12 Å²	12	30.4 Å²	30.4	6%	0.056	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152.3	167.2	65.7	76	0	0	0	111.5	G204 T205 Y207 F258 L259	G204-H252 CarbonylContact C-O 3.49Å; G204-H252 WeakPolarHBondContact CA-O 3.26Å; T205-H252 PolarHBondContact N-O 3.25Å; T205-H252 PolarHBondContact O-N 3.03Å; T205-H252 VanDerWaalsContact O-N 3.16Å; Y207-H252 AromaticContact CE2-CD2 3.76Å; Y207-H252 AromaticContact CE2-CE1 3.93Å; Y207-H252 AromaticContact CE2-NE2 3.28Å; Y207-H252 VanDerWaalsContact CE2-NE2 3.28Å; Y207-H252 WeakPolarHBondContact CE2-NE2 3.41Å; Y207-H252 AromaticContact CZ-NE2 3.89Å; H252-F258 CarbonylContact C-O 3.57Å; H252-F258 WeakPolarHBondContact CA-O 3.43Å; H252-L259 HydrophobicContact CB-CB 4.28Å; H252-L259 HydrophobicContact CB-CD2 3.98Å; H252-L259 HydrophobicContact CB-CG 3.81Å
253	N	98.3	Very high	97.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	163.5	172.5	75.1	-19.2	0	0	0	111.7	D201 A203 W251 T255 K256 T257 F258	D201-N253 PolarHBondContact O-ND2 3.32Å; A203-N253 CarbonylContact O-C 3.53Å; A203-N253 VanDerWaalsContact O-CA 3.24Å; A203-N253 WeakPolarHBondContact O-CA 3.35Å; A203-N253 WeakPolarHBondContact O-CB 3.29Å; W251-N253 HydrophobicContact CH2-CB 3.97Å; W251-N253 HydrophobicContact CZ3-CB 4.5Å; N253-T255 PolarHBondContact ND2-OG1 3.32Å; N253-T255 VanDerWaalsContact ND2-OG1 3.15Å; N253-T255 PolarHBondContact O-N 3.46Å; N253-T255 VanDerWaalsContact O-N 3.12Å; N253-K256 PolarHBondContact O-N 3.29Å; N253-K256 WeakPolarHBondContact OD1-CA 3.32Å; N253-K256 PolarHBondContact OD1-N 3.46Å; N253-T257 PolarHBondContact ND2-OG1 3.08Å; N253-T257 PolarHBondContact OD1-N 2.87Å; N253-F258 HydrophobicContact CB-CB 4.35Å; N253-F258 PolarHBondContact N-O 3.49Å; N253-F258 PolarHBondContact OD1-N 3.17Å; N253-F258 PolarHBondContact OD1-O 3.13Å
254	N	97	Very high	97.6	Very high	116 Å²	116	24.9 Å²	24.9	62%	0.62	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.6	-175.6	-65	-27.4	0	0	0	113.5	A203	A203-N254 PolarHBondContact O-N 2.71Å; A203-N254 PolarHBondContact O-ND2 3.17Å
255	T	96.2	Very high	97.6	Very high	91 Å²	91	24.2 Å²	24.2	56%	0.558	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	2.9	-180	62.1	0	0	0	0	113.7	N253 T257	N253-T255 PolarHBondContact ND2-OG1 3.32Å; N253-T255 VanDerWaalsContact ND2-OG1 3.15Å; N253-T255 PolarHBondContact O-N 3.46Å; N253-T255 VanDerWaalsContact O-N 3.12Å; T255-T257 VanDerWaalsContact C-N 3.26Å; T255-T257 PolarHBondContact O-N 3.12Å; T255-T257 PolarHBondContact OG1-OG1 2.87Å
256	K	95.8	Very high	97.7	Very high	69 Å²	69	22.1 Å²	22.1	30%	0.3	12%	0.115	S	C	.	.	S	Bend	trans	58.4	35.1	177	-66.4	164.8	163	-166.3	0	113.6	D223 F225 N253	D223-K256 IonicContact OD1-NZ 3.76Å; D223-K256 WeakPolarHBondContact OD2-CE 3.24Å; D223-K256 IonicContact OD2-NZ 2.88Å; D223-K256 PolarHBondContact OD2-NZ 3.35Å; F225-K256 HydrophobicContact CD2-CG 4.49Å; F225-K256 HydrophobicContact CE2-CB 3.49Å; F225-K256 VanDerWaalsContact CE2-CB 3.49Å; F225-K256 HydrophobicContact CE2-CD 3.73Å; F225-K256 HydrophobicContact CE2-CG 3.63Å; F225-K256 HydrophobicContact CZ-CB 3.65Å; F225-K256 HydrophobicContact CZ-CD 4.48Å; F225-K256 HydrophobicContact CZ-CG 4.3Å; N253-K256 PolarHBondContact O-N 3.29Å; N253-K256 WeakPolarHBondContact OD1-CA 3.32Å; N253-K256 PolarHBondContact OD1-N 3.46Å
257	T	97.3	Very high	97.8	Very high	31 Å²	31	20.6 Å²	20.6	19%	0.19	11%	0.106	C	C	.	.	S	Bend	trans	-114.8	-11.3	-179	54.7	0	0	0	0	113.8	N253 T255 S272 M273 R285	N253-T257 PolarHBondContact ND2-OG1 3.08Å; N253-T257 PolarHBondContact OD1-N 2.87Å; T255-T257 VanDerWaalsContact C-N 3.26Å; T255-T257 PolarHBondContact O-N 3.12Å; T255-T257 PolarHBondContact OG1-OG1 2.87Å; T257-S272 WeakPolarHBondContact O-CA 3.34Å; T257-M273 WeakPolarHBondContact CA-O 3.27Å; T257-M273 PolarHBondContact O-N 2.93Å; T257-R285 PolarHBondContact O-NE 3.44Å; T257-R285 PolarHBondContact O-NH2 2.89Å
258	F	98.6	Very high	97.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	122.3	173.2	-169.4	-118.5	0	0	0	108.8	L202 W251 H252 N253 I260 V270 I271	L202-F258 HydrophobicContact CD2-CB 4.29Å; L202-F258 HydrophobicContact CD2-CD1 3.79Å; L202-F258 HydrophobicContact CD2-CE1 4.31Å; L202-F258 HydrophobicContact CD2-CG 4.05Å; W251-F258 AromaticContact CH2-CD1 3.83Å; W251-F258 HydrophobicContact CH2-CD1 3.83Å; W251-F258 HydrophobicContact CH2-CE1 4.43Å; W251-F258 AromaticContact CZ3-CD1 3.51Å; W251-F258 HydrophobicContact CZ3-CD1 3.51Å; W251-F258 HydrophobicContact CZ3-CE1 4.07Å; W251-F258 HydrophobicContact CZ3-CG 4.39Å; W251-F258 WeakPolarHBondContact CZ3-O 3.3Å; H252-F258 CarbonylContact C-O 3.57Å; H252-F258 WeakPolarHBondContact CA-O 3.43Å; N253-F258 HydrophobicContact CB-CB 4.35Å; N253-F258 PolarHBondContact N-O 3.49Å; N253-F258 PolarHBondContact OD1-N 3.17Å; N253-F258 PolarHBondContact OD1-O 3.13Å; F258-I260 HydrophobicContact CE1-CD1 4.05Å; F258-I260 HydrophobicContact CE1-CG1 4.47Å; F258-I260 HydrophobicContact CZ-CD1 4.4Å; F258-V270 HydrophobicContact CE1-CG1 4.47Å; F258-V270 HydrophobicContact CE2-CG1 3.48Å; F258-V270 VanDerWaalsContact CE2-CG1 3.48Å; F258-V270 HydrophobicContact CZ-CG1 3.4Å; F258-V270 VanDerWaalsContact CZ-CG1 3.4Å; F258-I271 CarbonylContact C-O 3.5Å; F258-I271 WeakPolarHBondContact CA-O 3.37Å; F258-I271 WeakPolarHBondContact CD2-O 3.39Å
259	L	98.2	Very high	97.8	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.8	-171.8	-51.7	93	0	0	0	110.3	F225 I250 W251 H252 I271 M273	F225-L259 HydrophobicContact CB-CD2 3.63Å; F225-L259 HydrophobicContact CD1-CD2 3.41Å; F225-L259 VanDerWaalsContact CD1-CD2 3.41Å; F225-L259 HydrophobicContact CD2-CD2 3.83Å; F225-L259 HydrophobicContact CE1-CD1 4.5Å; F225-L259 HydrophobicContact CE1-CD2 3.99Å; F225-L259 HydrophobicContact CE2-CD2 4.36Å; F225-L259 HydrophobicContact CG-CD2 3.34Å; F225-L259 HydrophobicContact CZ-CD2 4.44Å; I250-L259 HydrophobicContact CD1-CD2 4.22Å; W251-L259 CarbonylContact O-C 3.45Å; W251-L259 WeakPolarHBondContact O-CA 3.45Å; H252-L259 HydrophobicContact CB-CB 4.28Å; H252-L259 HydrophobicContact CB-CD2 3.98Å; H252-L259 HydrophobicContact CB-CG 3.81Å; L259-I271 HydrophobicContact CB-CB 4.27Å; L259-I271 HydrophobicContact CD1-CG2 4.26Å; L259-I271 PolarHBondContact N-O 2.96Å; L259-I271 PolarHBondContact O-N 3.25Å; L259-M273 HydrophobicContact CD1-CG 3.75Å; L259-M273 HydrophobicContact CD1-SD 3.9Å
260	I	98.6	Very high	97.9	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	117.2	176.3	-60	175.8	0	0	0	108.3	L195 W251 F258 I262 T268 R269 V270 V293	L195-I260 HydrophobicContact CD1-CB 4.14Å; L195-I260 HydrophobicContact CD1-CD1 3.92Å; L195-I260 HydrophobicContact CD1-CG2 4.23Å; L195-I260 HydrophobicContact CD2-CD1 3.33Å; L195-I260 HydrophobicContact CG-CD1 4.26Å; W251-I260 HydrophobicContact CE3-CB 4.22Å; W251-I260 HydrophobicContact CE3-CD1 4.12Å; W251-I260 HydrophobicContact CE3-CG1 4.04Å; W251-I260 HydrophobicContact CZ3-CD1 4.33Å; W251-I260 HydrophobicContact CZ3-CG1 4.39Å; W251-I260 PolarHBondContact N-O 3.06Å; W251-I260 PolarHBondContact O-N 3.25Å; F258-I260 HydrophobicContact CE1-CD1 4.05Å; F258-I260 HydrophobicContact CE1-CG1 4.47Å; F258-I260 HydrophobicContact CZ-CD1 4.4Å; I260-I262 HydrophobicContact CG2-CG1 4.27Å; I260-T268 HydrophobicContact CG2-CG2 4.3Å; I260-R269 WeakPolarHBondContact CA-O 3.33Å; I260-V270 HydrophobicContact CD1-CG1 4.45Å; I260-V270 HydrophobicContact CD1-CG2 4.3Å; I260-V270 HydrophobicContact CG1-CB 4.41Å; I260-V270 HydrophobicContact CG1-CG1 4.19Å; I260-V270 HydrophobicContact CG1-CG2 4.16Å; I260-V270 HydrophobicContact CG2-CG2 4.49Å; I260-V293 HydrophobicContact CD1-CG2 4.07Å
261	W	98.4	Very high	97.9	Very high	36 Å²	36	21.1 Å²	21.1	14%	0.136	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	137	168.2	-58.7	-16.7	0	0	0	109.2	F225 F227 T268 R269 I271	F225-W261 VanDerWaalsContact O-CE2 3.32Å; F225-W261 WeakPolarHBondContact O-CZ2 3.46Å; F225-W261 PolarHBondContact O-NE1 2.76Å; F227-W261 HydrophobicContact CB-CD2 4.2Å; F227-W261 HydrophobicContact CB-CE3 4Å; F227-W261 HydrophobicContact CB-CH2 3.95Å; F227-W261 HydrophobicContact CB-CZ2 4.15Å; F227-W261 HydrophobicContact CB-CZ3 3.88Å; F227-W261 HydrophobicContact CD1-CB 3.8Å; F227-W261 AromaticContact CD1-CD1 3.61Å; F227-W261 AromaticContact CD1-CD2 3.44Å; F227-W261 HydrophobicContact CD1-CD2 3.44Å; F227-W261 VanDerWaalsContact CD1-CD2 3.44Å; F227-W261 AromaticContact CD1-CE2 3.74Å; F227-W261 AromaticContact CD1-CE3 3.94Å; F227-W261 HydrophobicContact CD1-CE3 3.94Å; F227-W261 AromaticContact CD1-CG 3.37Å; F227-W261 HydrophobicContact CD1-CG 3.37Å; F227-W261 HydrophobicContact CD1-CZ2 4.44Å; F227-W261 AromaticContact CD1-NE1 3.8Å; F227-W261 HydrophobicContact CE1-CB 3.56Å; F227-W261 AromaticContact CE1-CD1 3.81Å; F227-W261 HydrophobicContact CE1-CD2 4.16Å; F227-W261 AromaticContact CE1-CG 3.59Å; F227-W261 HydrophobicContact CE1-CG 3.59Å; F227-W261 HydrophobicContact CG-CD2 4.15Å; F227-W261 HydrophobicContact CG-CE3 4.22Å; F227-W261 HydrophobicContact CG-CG 4.44Å; F227-W261 HydrophobicContact CZ-CB 4.43Å; W261-T268 CarbonylContact O-C 3.58Å; W261-T268 VanDerWaalsContact O-CA 3.24Å; W261-T268 WeakPolarHBondContact O-CA 3.3Å; W261-R269 HydrophobicContact CB-CB 4.22Å; W261-R269 HydrophobicContact CE3-CB 4.39Å; W261-R269 PolarHBondContact N-O 2.85Å; W261-R269 PolarHBondContact O-N 2.92Å; W261-I271 HydrophobicContact CD2-CD1 4Å; W261-I271 HydrophobicContact CG-CD1 4.34Å; W261-I271 HydrophobicContact CZ2-CD1 4.24Å
262	I	98.8	Very high	97.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.7	-176.7	-53.6	-175.9	0	0	0	108.9	E188 V191 V192 L195 Y206 G249 I260 E264 H267	E188-I262 HydrophobicContact CB-CG2 4.33Å; V191-I262 HydrophobicContact CB-CD1 4.18Å; V191-I262 HydrophobicContact CG1-CD1 3.6Å; V191-I262 HydrophobicContact CG1-CG1 4.02Å; V192-I262 HydrophobicContact CG2-CD1 3.79Å; L195-I262 HydrophobicContact CD1-CD1 4.31Å; Y206-I262 HydrophobicContact CD2-CD1 3.89Å; Y206-I262 HydrophobicContact CE2-CD1 3.58Å; Y206-I262 HydrophobicContact CE2-CG1 4.33Å; G249-I262 PolarHBondContact N-O 3.44Å; G249-I262 PolarHBondContact O-N 3.38Å; I260-I262 HydrophobicContact CG2-CG1 4.27Å; I262-E264 VanDerWaalsContact C-N 3.34Å; I262-E264 PolarHBondContact O-N 3.29Å; I262-H267 WeakPolarHBondContact CA-O 3.47Å
263	N	98.6	Very high	97.9	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.016	11%	0.114	C	C	.	.	S	Bend	trans	59.2	31	174.7	-69.5	-44.2	0	0	0	116.6	R184 V187 A247 R248 H267	R184-N263 HydrophobicContact CG-CB 3.89Å; R184-N263 VanDerWaalsContact CG-CG 3.49Å; R184-N263 WeakPolarHBondContact CG-ND2 3.38Å; R184-N263 PolarHBondContact O-ND2 3.49Å; V187-N263 VanDerWaalsContact CG1-OD1 3.29Å; V187-N263 WeakPolarHBondContact CG1-OD1 3.36Å; A247-N263 VanDerWaalsContact O-CB 3.29Å; A247-N263 WeakPolarHBondContact O-CB 3.3Å; A247-N263 PolarHBondContact O-ND2 3.24Å; R248-N263 WeakPolarHBondContact CD-O 3.38Å; R248-N263 HydrophobicContact CG-CB 4.01Å; R248-N263 WeakPolarHBondContact CG-O 3.19Å; R248-N263 PolarHBondContact NE-O 3.38Å; N263-H267 PolarHBondContact N-O 3.22Å
264	E	95.7	Very high	97.7	Very high	19 Å²	19	23.3 Å²	23.3	9%	0.089	12%	0.119	C	C	.	.	S	Bend	trans	-82.6	-104.1	170.2	-165.4	-85.9	146.2	0	0	109.8	F227 I262 D266	F227-E264 HydrophobicContact CB-CG 4.09Å; F227-E264 HydrophobicContact CD1-CG 4.47Å; F227-E264 HydrophobicContact CD2-CB 3.81Å; F227-E264 HydrophobicContact CD2-CG 3.23Å; F227-E264 HydrophobicContact CE2-CB 3.69Å; F227-E264 HydrophobicContact CE2-CG 3.64Å; F227-E264 HydrophobicContact CG-CB 4.25Å; F227-E264 HydrophobicContact CG-CG 3.7Å; F227-E264 HydrophobicContact CZ-CB 4.06Å; F227-E264 HydrophobicContact CZ-CG 4.41Å; I262-E264 VanDerWaalsContact C-N 3.34Å; I262-E264 PolarHBondContact O-N 3.29Å; E264-D266 PolarHBondContact N-O 3.25Å
265	E	96.1	Very high	97.6	Very high	42 Å²	42	25.6 Å²	25.6	20%	0.196	12%	0.124	C	C	.	.	S	Bend	trans	-87.5	-14.6	179.9	69.8	-175.4	147.8	0	0	114.3	L235 M240 R269 T315	L235-E265 HydrophobicContact CD2-CB 4.25Å; M240-E265 HydrophobicContact CE-CB 3.73Å; M240-E265 WeakPolarHBondContact CE-O 3.29Å; E265-R269 HydrophobicContact CG-CG 4.28Å; E265-R269 VanDerWaalsContact CG-NH2 3.25Å; E265-R269 IonicContact OE1-CZ 3.25Å; E265-R269 IonicContact OE1-NE 3.68Å; E265-R269 IonicContact OE1-NH1 2.81Å; E265-R269 PolarHBondContact OE1-NH1 3.12Å; E265-R269 IonicContact OE1-NH2 3.46Å; E265-R269 PolarHBondContact OE1-NH2 2.68Å; E265-R269 IonicContact OE2-CZ 3.69Å; E265-R269 IonicContact OE2-NH1 2.68Å; E265-R269 IonicContact OE2-NH2 3.21Å; E265-R269 PolarHBondContact OE2-NH2 3.34Å; E265-T315 PolarHBondContact O-OG1 3.21Å
266	D	98.6	Very high	97.7	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.011	10%	0.102	C	C	.	.	S	Bend	trans	-144	171.7	174.8	-71.9	-63.1	0	0	0	107.9	E264 T268 R269 L314 T315	E264-D266 PolarHBondContact N-O 3.25Å; D266-T268 VanDerWaalsContact C-N 3.26Å; D266-T268 PolarHBondContact O-N 2.81Å; D266-R269 IonicContact OD2-CZ 3.43Å; D266-R269 IonicContact OD2-NE 3.77Å; D266-R269 PolarHBondContact OD2-NE 2.72Å; D266-R269 IonicContact OD2-NH2 3.79Å; D266-R269 PolarHBondContact OD2-NH2 3.44Å; D266-L314 HydrophobicContact CB-CD2 4.04Å; D266-T315 WeakPolarHBondContact OD1-CB 3.35Å; D266-T315 PolarHBondContact OD1-N 3.43Å; D266-T315 PolarHBondContact OD1-OG1 3.21Å
267	H	98.9	Very high	97.7	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.087	C	C	.	.	S	Bend	trans	-55.6	-45.8	176.1	-70.7	-175.6	0	0	0	111.1	I170 L173 S174 V187 I262 N263	I170-H267 PolarHBondContact N-ND1 3.23Å; I170-H267 VanDerWaalsContact N-ND1 3.11Å; L173-H267 PolarHBondContact O-CE1 2.96Å; S174-H267 PolarHBondContact O-NE2 3.31Å; V187-H267 HydrophobicContact CG1-CB 3.61Å; V187-H267 HydrophobicContact CG2-CB 4.48Å; I262-H267 WeakPolarHBondContact CA-O 3.47Å; N263-H267 PolarHBondContact N-O 3.22Å
268	T	98.9	Very high	97.8	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.031	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.3	172.2	64.8	0	0	0	0	111.9	G167 R168 V191 I260 W261 D266	G167-T268 WeakPolarHBondContact CA-O 3.48Å; R168-T268 WeakPolarHBondContact CB-OG1 3.36Å; R168-T268 PolarHBondContact N-O 3.06Å; R168-T268 VanDerWaalsContact N-O 3.15Å; R168-T268 PolarHBondContact N-OG1 3.46Å; R168-T268 PolarHBondContact O-N 3.29Å; R168-T268 VanDerWaalsContact O-N 3.1Å; R168-T268 PolarHBondContact O-OG1 3.42Å; V191-T268 HydrophobicContact CB-CG2 4.34Å; V191-T268 HydrophobicContact CG1-CG2 3.84Å; V191-T268 HydrophobicContact CG2-CG2 3.54Å; I260-T268 HydrophobicContact CG2-CG2 4.3Å; W261-T268 CarbonylContact O-C 3.58Å; W261-T268 VanDerWaalsContact O-CA 3.24Å; W261-T268 WeakPolarHBondContact O-CA 3.3Å; D266-T268 VanDerWaalsContact C-N 3.26Å; D266-T268 PolarHBondContact O-N 2.81Å
269	R	98.5	Very high	97.8	Very high	6 Å²	6	18.6 Å²	18.6	2%	0.023	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	107.7	160.5	-70.9	-60.3	-171.1	89.6	-0	109.8	T166 I260 W261 E265 D266 N319	T166-R269 CarbonylContact O-C 3.52Å; T166-R269 VanDerWaalsContact O-CA 3.3Å; T166-R269 WeakPolarHBondContact O-CA 3.27Å; T166-R269 VanDerWaalsContact O-CD 3.31Å; T166-R269 WeakPolarHBondContact O-CD 3.42Å; I260-R269 WeakPolarHBondContact CA-O 3.33Å; W261-R269 HydrophobicContact CB-CB 4.22Å; W261-R269 HydrophobicContact CE3-CB 4.39Å; W261-R269 PolarHBondContact N-O 2.85Å; W261-R269 PolarHBondContact O-N 2.92Å; E265-R269 HydrophobicContact CG-CG 4.28Å; E265-R269 VanDerWaalsContact CG-NH2 3.25Å; E265-R269 IonicContact OE1-CZ 3.25Å; E265-R269 IonicContact OE1-NE 3.68Å; E265-R269 IonicContact OE1-NH1 2.81Å; E265-R269 PolarHBondContact OE1-NH1 3.12Å; E265-R269 IonicContact OE1-NH2 3.46Å; E265-R269 PolarHBondContact OE1-NH2 2.68Å; E265-R269 IonicContact OE2-CZ 3.69Å; E265-R269 IonicContact OE2-NH1 2.68Å; E265-R269 IonicContact OE2-NH2 3.21Å; E265-R269 PolarHBondContact OE2-NH2 3.34Å; D266-R269 IonicContact OD2-CZ 3.43Å; D266-R269 IonicContact OD2-NE 3.77Å; D266-R269 PolarHBondContact OD2-NE 2.72Å; D266-R269 IonicContact OD2-NH2 3.79Å; D266-R269 PolarHBondContact OD2-NH2 3.44Å; R269-N319 PolarHBondContact NH2-ND2 3.36Å
270	V	98.6	Very high	97.8	Very high	2 Å²	2	22 Å²	22	1%	0.012	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.9	-179.4	-175.7	0	0	0	0	109.3	R165 T166 F258 I260 L290	R165-V270 CarbonylContact C-O 3.58Å; R165-V270 WeakPolarHBondContact CA-O 3.49Å; T166-V270 HydrophobicContact CG2-CB 4.31Å; T166-V270 PolarHBondContact N-O 2.89Å; T166-V270 PolarHBondContact O-N 3.37Å; F258-V270 HydrophobicContact CE1-CG1 4.47Å; F258-V270 HydrophobicContact CE2-CG1 3.48Å; F258-V270 VanDerWaalsContact CE2-CG1 3.48Å; F258-V270 HydrophobicContact CZ-CG1 3.4Å; F258-V270 VanDerWaalsContact CZ-CG1 3.4Å; I260-V270 HydrophobicContact CD1-CG1 4.45Å; I260-V270 HydrophobicContact CD1-CG2 4.3Å; I260-V270 HydrophobicContact CG1-CB 4.41Å; I260-V270 HydrophobicContact CG1-CG1 4.19Å; I260-V270 HydrophobicContact CG1-CG2 4.16Å; I260-V270 HydrophobicContact CG2-CG2 4.49Å; V270-L290 HydrophobicContact CB-CD1 4.14Å; V270-L290 HydrophobicContact CG1-CD1 4.1Å; V270-L290 HydrophobicContact CG2-CD1 3.91Å
271	I	98.6	Very high	97.8	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	128.6	-169.2	-59.8	159.9	0	0	0	109	R163 V164 R165 F258 L259 W261 M273	R163-I271 HydrophobicContact CG-CG2 4.11Å; V164-I271 WeakPolarHBondContact O-CA 3.38Å; R165-I271 HydrophobicContact CB-CG1 3.88Å; F258-I271 CarbonylContact C-O 3.5Å; F258-I271 WeakPolarHBondContact CA-O 3.37Å; F258-I271 WeakPolarHBondContact CD2-O 3.39Å; L259-I271 HydrophobicContact CB-CB 4.27Å; L259-I271 HydrophobicContact CD1-CG2 4.26Å; L259-I271 PolarHBondContact N-O 2.96Å; L259-I271 PolarHBondContact O-N 3.25Å; W261-I271 HydrophobicContact CD2-CD1 4Å; W261-I271 HydrophobicContact CG-CD1 4.34Å; W261-I271 HydrophobicContact CZ2-CD1 4.24Å; I271-M273 HydrophobicContact CG2-CB 4.45Å; I271-M273 HydrophobicContact CG2-CG 4.23Å; I271-M273 HydrophobicContact CG2-SD 4.01Å
272	S	98.6	Very high	97.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.7	162.5	-177.2	0	0	0	0	108.4	R163 V164 T257 V282 R285	R163-S272 CarbonylContact C-O 3.53Å; R163-S272 WeakPolarHBondContact CA-O 3.18Å; V164-S272 PolarHBondContact N-O 3.48Å; V164-S272 PolarHBondContact O-N 3.31Å; V164-S272 VanDerWaalsContact O-O 3.12Å; T257-S272 WeakPolarHBondContact O-CA 3.34Å; S272-V282 WeakPolarHBondContact CB-O 3.3Å; S272-V282 VanDerWaalsContact O-CG1 3.22Å; S272-V282 WeakPolarHBondContact O-CG1 3.44Å; S272-V282 WeakPolarHBondContact OG-CG1 3.42Å; S272-V282 PolarHBondContact OG-O 2.9Å; S272-R285 VanDerWaalsContact OG-CZ 3.3Å; S272-R285 PolarHBondContact OG-NE 2.77Å; S272-R285 VanDerWaalsContact OG-NE 3.1Å; S272-R285 PolarHBondContact OG-NH2 2.87Å
273	M	97.1	Very high	97.8	Very high	39 Å²	39	26.4 Å²	26.4	19%	0.192	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	156.8	178.5	60.5	-171.3	-73.9	0	0	112.5	S162 R163 F225 T257 L259 I271 R285	S162-M273 VanDerWaalsContact O-CA 3.31Å; S162-M273 WeakPolarHBondContact O-CA 3.29Å; R163-M273 HydrophobicContact CB-CB 3.9Å; R163-M273 HydrophobicContact CG-CB 3.95Å; F225-M273 HydrophobicContact CD1-SD 4.38Å; F225-M273 HydrophobicContact CE1-CE 4.16Å; F225-M273 HydrophobicContact CE1-SD 4.15Å; T257-M273 WeakPolarHBondContact CA-O 3.27Å; T257-M273 PolarHBondContact O-N 2.93Å; L259-M273 HydrophobicContact CD1-CG 3.75Å; L259-M273 HydrophobicContact CD1-SD 3.9Å; I271-M273 HydrophobicContact CG2-CB 4.45Å; I271-M273 HydrophobicContact CG2-CG 4.23Å; I271-M273 HydrophobicContact CG2-SD 4.01Å; M273-R285 PolarHBondContact O-NH2 3.29Å
274	E	95.7	Very high	97.8	Very high	23 Å²	23	29.9 Å²	29.9	11%	0.107	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	163.5	170.5	65.9	-159.8	-132.7	0	0	111	S161 S162 R281 V282 R285	S161-E274 WeakPolarHBondContact CA-O 3.27Å; S161-E274 WeakPolarHBondContact CB-O 3.43Å; S162-E274 PolarHBondContact N-O 3.15Å; S162-E274 PolarHBondContact O-N 3.49Å; E274-R281 IonicContact OE1-CZ 2.66Å; E274-R281 IonicContact OE1-NE 3.86Å; E274-R281 PolarHBondContact OE1-NE 3.03Å; E274-R281 IonicContact OE1-NH2 3.43Å; E274-R281 PolarHBondContact OE1-NH2 2.82Å; E274-R281 IonicContact OE2-NE 2.72Å; E274-V282 HydrophobicContact CB-CG2 4.41Å; E274-V282 HydrophobicContact CG-CG2 3.38Å; E274-V282 WeakPolarHBondContact OE2-CG2 3.5Å; E274-R285 IonicContact OE2-CZ 3.96Å; E274-R285 IonicContact OE2-NH1 3.77Å; E274-R285 PolarHBondContact OE2-NH1 3.11Å; E274-R285 IonicContact OE2-NH2 2.7Å; E274-R285 PolarHBondContact OE2-NH2 3.1Å
275	K	95.2	Very high	97.9	Very high	164 Å²	164	30 Å²	30	71%	0.713	14%	0.137	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	152.7	168	-63.1	-65.8	-174.2	179.2	0	110.1
276	G	96.4	Very high	98	Very high	9 Å²	9	28.1 Å²	28.1	9%	0.093	13%	0.128	C	C	.	.	S	Bend	trans	82.6	-165.3	-179.7	0	0	0	0	0	114.5	E156 L160 S161 S162	E156-G276 WeakPolarHBondContact OE1-CA 3.36Å; L160-G276 PolarHBondContact O-N 3.36Å; S161-G276 CarbonylContact C-O 3.56Å; S161-G276 WeakPolarHBondContact CA-O 3.42Å; S162-G276 PolarHBondContact N-O 3.46Å; S162-G276 PolarHBondContact OG-O 2.85Å
277	G	96.9	Very high	98	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-104.6	2.1	-161.5	0	0	0	0	0	116.2	N153 F154 E156 M279	N153-G277 WeakPolarHBondContact CA-O 3.47Å; F154-G277 WeakPolarHBondContact CD2-O 3.38Å; F154-G277 PolarHBondContact N-O 2.93Å; E156-G277 PolarHBondContact OE1-N 3.44Å; G277-M279 VanDerWaalsContact C-N 3.27Å; G277-M279 PolarHBondContact O-N 2.87Å
278	N	98.3	Very high	98	Very high	35 Å²	35	31.4 Å²	31.4	19%	0.187	15%	0.149	C	C	.	.			trans	-82.9	66.3	-171.6	-165.4	-17.3	0	0	0	113.1	G152 K280 R281 V282	G152-N278 CarbonylContact O-C 3.53Å; N278-K280 PolarHBondContact O-N 3.41Å; N278-R281 HydrophobicContact CB-CB 4.34Å; N278-R281 PolarHBondContact O-N 2.98Å; N278-R281 VanDerWaalsContact O-N 3.17Å; N278-R281 WeakPolarHBondContact OD1-CB 3.47Å; N278-R281 PolarHBondContact OD1-N 3.32Å; N278-V282 WeakPolarHBondContact O-CG2 3.26Å; N278-V282 PolarHBondContact O-N 3.42Å; N278-V282 VanDerWaalsContact O-N 3.14Å
279	M	98.6	Very high	98	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-53.5	-33.8	175	-176.6	58.9	71.7	0	0	113	G152 F154 V164 G277 V282 F283 G327 V328 V383 V387	G152-M279 PolarHBondContact O-N 3.24Å; F154-M279 HydrophobicContact CD2-CB 4.3Å; F154-M279 HydrophobicContact CE2-CB 3.59Å; F154-M279 HydrophobicContact CE2-CE 4.12Å; F154-M279 HydrophobicContact CE2-CG 4.25Å; F154-M279 HydrophobicContact CZ-CB 4.13Å; V164-M279 HydrophobicContact CG2-SD 3.58Å; V164-M279 VanDerWaalsContact CG2-SD 3.58Å; G277-M279 VanDerWaalsContact C-N 3.27Å; G277-M279 PolarHBondContact O-N 2.87Å; M279-V282 PolarHBondContact O-N 2.89Å; M279-F283 WeakPolarHBondContact O-CB 3.29Å; M279-F283 PolarHBondContact O-N 3.03Å; M279-G327 WeakPolarHBondContact CE-O 3.4Å; M279-V328 HydrophobicContact CE-CG1 3.93Å; M279-V383 HydrophobicContact CG-CG1 3.96Å; M279-V383 HydrophobicContact SD-CG1 4.39Å; M279-V387 HydrophobicContact CB-CG2 4.4Å; M279-V387 HydrophobicContact CG-CG2 4.03Å
280	K	98.3	Very high	98	Very high	74 Å²	74	30.9 Å²	30.9	32%	0.322	15%	0.146	S	C	.	.	H	α-helix	trans	-62.4	-45.6	178.3	-174.5	172.5	179.1	68.5	0	111.9	S146 L149 G152 N278 F283 D284	S146-K280 PolarHBondContact O-NZ 3.42Å; L149-K280 HydrophobicContact CD2-CB 4.15Å; L149-K280 HydrophobicContact CD2-CG 4.3Å; L149-K280 PolarHBondContact O-NZ 3.17Å; G152-K280 PolarHBondContact O-N 3.38Å; N278-K280 PolarHBondContact O-N 3.41Å; K280-F283 PolarHBondContact O-N 3Å; K280-D284 WeakPolarHBondContact O-CB 3.49Å; K280-D284 PolarHBondContact O-N 2.89Å
281	R	98.4	Very high	98	Very high	128 Å²	128	35.6 Å²	35.6	48%	0.483	17%	0.166	S	C	.	.	H	α-helix	trans	-66.7	-39.4	175.9	-177.5	172.2	58.7	-151.2	-1.4	112.2	E274 N278 F283 D284 R285	E274-R281 IonicContact OE1-CZ 2.66Å; E274-R281 IonicContact OE1-NE 3.86Å; E274-R281 PolarHBondContact OE1-NE 3.03Å; E274-R281 IonicContact OE1-NH2 3.43Å; E274-R281 PolarHBondContact OE1-NH2 2.82Å; E274-R281 IonicContact OE2-NE 2.72Å; N278-R281 HydrophobicContact CB-CB 4.34Å; N278-R281 PolarHBondContact O-N 2.98Å; N278-R281 VanDerWaalsContact O-N 3.17Å; N278-R281 WeakPolarHBondContact OD1-CB 3.47Å; N278-R281 PolarHBondContact OD1-N 3.32Å; R281-F283 VanDerWaalsContact C-N 3.33Å; R281-F283 PolarHBondContact O-N 3.25Å; R281-D284 PolarHBondContact O-N 2.96Å; R281-R285 PolarHBondContact O-N 2.96Å; R281-R285 VanDerWaalsContact O-N 3.09Å
282	V	98.6	Very high	98	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.3	-47.6	173.8	-179.9	0	0	0	0	110.8	V164 S272 E274 N278 M279 F286	V164-V282 HydrophobicContact CB-CG1 4.25Å; V164-V282 HydrophobicContact CG2-CG1 3.85Å; S272-V282 WeakPolarHBondContact CB-O 3.3Å; S272-V282 VanDerWaalsContact O-CG1 3.22Å; S272-V282 WeakPolarHBondContact O-CG1 3.44Å; S272-V282 WeakPolarHBondContact OG-CG1 3.42Å; S272-V282 PolarHBondContact OG-O 2.9Å; E274-V282 HydrophobicContact CB-CG2 4.41Å; E274-V282 HydrophobicContact CG-CG2 3.38Å; E274-V282 WeakPolarHBondContact OE2-CG2 3.5Å; N278-V282 WeakPolarHBondContact O-CG2 3.26Å; N278-V282 PolarHBondContact O-N 3.42Å; N278-V282 VanDerWaalsContact O-N 3.14Å; M279-V282 PolarHBondContact O-N 2.89Å; V282-F286 WeakPolarHBondContact O-CB 3.37Å; V282-F286 PolarHBondContact O-N 2.92Å
283	F	98.7	Very high	98	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70.7	-35.5	-178.1	-173.2	-127.6	0	0	0	112.6	L149 V164 M279 K280 R281 F286 C287 L324 E379 V380 V383	L149-F283 HydrophobicContact CB-CD1 4.23Å; L149-F283 HydrophobicContact CD2-CB 4.2Å; L149-F283 HydrophobicContact CD2-CD1 3.88Å; L149-F283 HydrophobicContact CD2-CG 4.42Å; V164-F283 HydrophobicContact CG1-CD2 4.29Å; V164-F283 HydrophobicContact CG2-CB 4.47Å; V164-F283 HydrophobicContact CG2-CD2 4.43Å; M279-F283 WeakPolarHBondContact O-CB 3.29Å; M279-F283 PolarHBondContact O-N 3.03Å; K280-F283 PolarHBondContact O-N 3Å; R281-F283 VanDerWaalsContact C-N 3.33Å; R281-F283 PolarHBondContact O-N 3.25Å; F283-F286 HydrophobicContact CD2-CB 4.49Å; F283-F286 AromaticContact CD2-CD1 3.94Å; F283-F286 HydrophobicContact CD2-CD1 3.94Å; F283-F286 AromaticContact CE2-CD1 3.95Å; F283-F286 HydrophobicContact CE2-CD1 3.95Å; F283-F286 HydrophobicContact CE2-CE1 4.38Å; F283-F286 WeakPolarHBondContact O-CB 3.38Å; F283-F286 PolarHBondContact O-N 3.46Å; F283-C287 WeakPolarHBondContact CE2-SG 3.21Å; F283-C287 WeakPolarHBondContact CZ-SG 3.38Å; F283-C287 PolarHBondContact O-N 3.33Å; F283-C287 PolarHBondContact O-SG 3.35Å; F283-C287 VanDerWaalsContact O-SG 3.4Å; F283-L324 HydrophobicContact CE2-CD1 4.21Å; F283-E379 HydrophobicContact CE2-CB 4.25Å; F283-E379 HydrophobicContact CZ-CB 4.09Å; F283-V380 HydrophobicContact CE1-CG2 3.91Å; F283-V380 HydrophobicContact CZ-CG2 4.12Å; F283-V383 HydrophobicContact CB-CG1 4.33Å; F283-V383 HydrophobicContact CD1-CB 4.48Å; F283-V383 HydrophobicContact CD1-CG1 4.25Å; F283-V383 HydrophobicContact CD1-CG2 4.46Å; F283-V383 HydrophobicContact CD2-CG1 4.48Å; F283-V383 HydrophobicContact CD2-CG2 3.69Å; F283-V383 HydrophobicContact CE1-CB 4.47Å; F283-V383 HydrophobicContact CE1-CG2 4.4Å; F283-V383 HydrophobicContact CE2-CG2 3.62Å; F283-V383 HydrophobicContact CG-CB 4.48Å; F283-V383 HydrophobicContact CG-CG1 4.11Å; F283-V383 HydrophobicContact CG-CG2 4.12Å; F283-V383 HydrophobicContact CZ-CB 4.48Å; F283-V383 HydrophobicContact CZ-CG2 3.99Å
284	D	98.6	Very high	98.1	Very high	77 Å²	77	38.4 Å²	38.4	41%	0.412	18%	0.179	S	C	.	.	H	α-helix	trans	-62.2	-48.4	175	-171.2	62	0	0	0	112.5	S146 K280 R281 F286 C287 T288	S146-D284 WeakPolarHBondContact CB-OD1 3.24Å; S146-D284 PolarHBondContact OG-OD1 2.92Å; K280-D284 WeakPolarHBondContact O-CB 3.49Å; K280-D284 PolarHBondContact O-N 2.89Å; R281-D284 PolarHBondContact O-N 2.96Å; D284-F286 VanDerWaalsContact C-N 3.3Å; D284-F286 PolarHBondContact O-N 2.94Å; D284-C287 PolarHBondContact O-N 2.88Å; D284-T288 WeakPolarHBondContact O-CB 3.39Å; D284-T288 PolarHBondContact O-N 3.46Å; D284-T288 PolarHBondContact O-OG1 3.17Å
285	R	98.8	Very high	98.2	Very high	22 Å²	22	41.8 Å²	41.8	8%	0.083	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-40	172.8	-179.3	172.9	61.4	-101.9	6.6	111.8	L202 T257 S272 M273 E274 R281 G289	L202-R285 HydrophobicContact CD2-CG 4.22Å; T257-R285 PolarHBondContact O-NE 3.44Å; T257-R285 PolarHBondContact O-NH2 2.89Å; S272-R285 VanDerWaalsContact OG-CZ 3.3Å; S272-R285 PolarHBondContact OG-NE 2.77Å; S272-R285 VanDerWaalsContact OG-NE 3.1Å; S272-R285 PolarHBondContact OG-NH2 2.87Å; M273-R285 PolarHBondContact O-NH2 3.29Å; E274-R285 IonicContact OE2-CZ 3.96Å; E274-R285 IonicContact OE2-NH1 3.77Å; E274-R285 PolarHBondContact OE2-NH1 3.11Å; E274-R285 IonicContact OE2-NH2 2.7Å; E274-R285 PolarHBondContact OE2-NH2 3.1Å; R281-R285 PolarHBondContact O-N 2.96Å; R281-R285 VanDerWaalsContact O-N 3.09Å; R285-G289 PolarHBondContact O-N 3.26Å
286	F	98.8	Very high	98.4	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-59.7	-52.6	176.7	175.7	-95.8	0	0	0	111.8	L144 V164 T166 V282 F283 D284 L290 L324	L144-F286 HydrophobicContact CD2-CE1 4.11Å; V164-F286 HydrophobicContact CB-CB 4.39Å; V164-F286 HydrophobicContact CB-CD2 4.14Å; V164-F286 HydrophobicContact CB-CG 4.17Å; V164-F286 HydrophobicContact CG1-CB 4.42Å; V164-F286 HydrophobicContact CG1-CD1 3.86Å; V164-F286 HydrophobicContact CG1-CD2 3.79Å; V164-F286 HydrophobicContact CG1-CE1 3.99Å; V164-F286 HydrophobicContact CG1-CE2 3.92Å; V164-F286 HydrophobicContact CG1-CG 3.75Å; V164-F286 HydrophobicContact CG1-CZ 4.01Å; T166-F286 HydrophobicContact CG2-CE2 3.81Å; T166-F286 HydrophobicContact CG2-CZ 3.46Å; T166-F286 VanDerWaalsContact CG2-CZ 3.46Å; V282-F286 WeakPolarHBondContact O-CB 3.37Å; V282-F286 PolarHBondContact O-N 2.92Å; F283-F286 HydrophobicContact CD2-CB 4.49Å; F283-F286 AromaticContact CD2-CD1 3.94Å; F283-F286 HydrophobicContact CD2-CD1 3.94Å; F283-F286 AromaticContact CE2-CD1 3.95Å; F283-F286 HydrophobicContact CE2-CD1 3.95Å; F283-F286 HydrophobicContact CE2-CE1 4.38Å; F283-F286 WeakPolarHBondContact O-CB 3.38Å; F283-F286 PolarHBondContact O-N 3.46Å; D284-F286 VanDerWaalsContact C-N 3.3Å; D284-F286 PolarHBondContact O-N 2.94Å; F286-L290 HydrophobicContact CE1-CD2 3.87Å; F286-L290 HydrophobicContact CZ-CD2 3.8Å; F286-L290 WeakPolarHBondContact O-CB 3.43Å; F286-L290 PolarHBondContact O-N 2.76Å; F286-L324 HydrophobicContact CE1-CD1 4.04Å; F286-L324 HydrophobicContact CZ-CD1 4.38Å
287	C	98.7	Very high	98.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-43.2	-179.5	-71.1	0	0	0	0	111.9	L144 F283 D284 K291	L144-C287 HydrophobicContact CB-CB 4.43Å; L144-C287 WeakPolarHBondContact O-CB 3.44Å; F283-C287 WeakPolarHBondContact CE2-SG 3.21Å; F283-C287 WeakPolarHBondContact CZ-SG 3.38Å; F283-C287 PolarHBondContact O-N 3.33Å; F283-C287 PolarHBondContact O-SG 3.35Å; F283-C287 VanDerWaalsContact O-SG 3.4Å; D284-C287 PolarHBondContact O-N 2.88Å; C287-K291 WeakPolarHBondContact O-CB 3.41Å; C287-K291 VanDerWaalsContact O-CG 3.28Å; C287-K291 WeakPolarHBondContact O-CG 3.27Å; C287-K291 PolarHBondContact O-N 3.08Å; C287-K291 VanDerWaalsContact O-N 3.11Å
288	T	98.6	Very high	98.5	Very high	73 Å²	73	39.3 Å²	39.3	45%	0.448	18%	0.18	S	C	.	.	H	α-helix	trans	-63.8	-50.6	178.7	-59.4	0	0	0	0	111.2	L202 D284 L290 K291 E292	L202-T288 HydrophobicContact CD1-CG2 4.44Å; D284-T288 WeakPolarHBondContact O-CB 3.39Å; D284-T288 PolarHBondContact O-N 3.46Å; D284-T288 PolarHBondContact O-OG1 3.17Å; T288-L290 PolarHBondContact O-N 3.04Å; T288-K291 PolarHBondContact O-N 3.48Å; T288-E292 PolarHBondContact O-N 2.8Å; T288-E292 VanDerWaalsContact O-N 3.08Å
289	G	98.6	Very high	98.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-41.7	179.3	0	0	0	0	0	112.8	R285 E292 V293	R285-G289 PolarHBondContact O-N 3.26Å; G289-E292 PolarHBondContact O-N 2.73Å; G289-V293 VanDerWaalsContact O-CG2 3.27Å; G289-V293 WeakPolarHBondContact O-CG2 3.5Å; G289-V293 PolarHBondContact O-N 2.88Å
290	L	98.2	Very high	98.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.7	-42	-179.5	-168.9	61.6	0	0	0	112.5	L144 T166 R168 V270 F286 T288 V293 E294	L144-L290 HydrophobicContact CD1-CD2 4.03Å; L144-L290 HydrophobicContact CD2-CD2 4.18Å; T166-L290 HydrophobicContact CG2-CD1 4.23Å; T166-L290 HydrophobicContact CG2-CD2 3.93Å; R168-L290 HydrophobicContact CG-CD1 4.05Å; V270-L290 HydrophobicContact CB-CD1 4.14Å; V270-L290 HydrophobicContact CG1-CD1 4.1Å; V270-L290 HydrophobicContact CG2-CD1 3.91Å; F286-L290 HydrophobicContact CE1-CD2 3.87Å; F286-L290 HydrophobicContact CZ-CD2 3.8Å; F286-L290 WeakPolarHBondContact O-CB 3.43Å; F286-L290 PolarHBondContact O-N 2.76Å; T288-L290 PolarHBondContact O-N 3.04Å; L290-V293 PolarHBondContact O-N 3.4Å; L290-E294 WeakPolarHBondContact O-CB 3.48Å; L290-E294 PolarHBondContact O-N 2.67Å
291	K	98.6	Very high	98.3	Very high	100 Å²	100	50 Å²	50	44%	0.435	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-41	174.6	-72.7	173	-172.6	172.5	0	111.9	L144 C287 T288 E294 R295	L144-K291 VanDerWaalsContact O-CE 3.25Å; L144-K291 WeakPolarHBondContact O-CE 3.41Å; L144-K291 PolarHBondContact O-NZ 2.94Å; C287-K291 WeakPolarHBondContact O-CB 3.41Å; C287-K291 VanDerWaalsContact O-CG 3.28Å; C287-K291 WeakPolarHBondContact O-CG 3.27Å; C287-K291 PolarHBondContact O-N 3.08Å; C287-K291 VanDerWaalsContact O-N 3.11Å; T288-K291 PolarHBondContact O-N 3.48Å; K291-E294 PolarHBondContact O-N 3.31Å; K291-R295 WeakPolarHBondContact O-CB 3.22Å; K291-R295 PolarHBondContact O-N 3.11Å
292	E	98.7	Very high	98.3	Very high	58 Å²	58	46.7 Å²	46.7	27%	0.271	23%	0.234	S	C	.	.	H	α-helix	trans	-69.7	-39.4	180	-174.5	60.6	-167.9	0	0	112.1	L198 T288 G289 R295 L296	L198-E292 HydrophobicContact CD2-CB 4.1Å; L198-E292 HydrophobicContact CD2-CG 3.55Å; T288-E292 PolarHBondContact O-N 2.8Å; T288-E292 VanDerWaalsContact O-N 3.08Å; G289-E292 PolarHBondContact O-N 2.73Å; E292-R295 VanDerWaalsContact CD-NE 3.33Å; E292-R295 PolarHBondContact O-N 2.98Å; E292-R295 IonicContact OE1-CZ 2.6Å; E292-R295 IonicContact OE1-NE 3.62Å; E292-R295 PolarHBondContact OE1-NE 3.38Å; E292-R295 IonicContact OE1-NH2 3.9Å; E292-R295 PolarHBondContact OE1-NH2 2.89Å; E292-R295 IonicContact OE2-CZ 3.86Å; E292-R295 IonicContact OE2-NE 3.76Å; E292-R295 PolarHBondContact OE2-NE 2.64Å; E292-R295 IonicContact OE2-NH2 3.39Å; E292-L296 HydrophobicContact CG-CD1 4.04Å; E292-L296 WeakPolarHBondContact O-CB 3.17Å; E292-L296 WeakPolarHBondContact O-CD1 3.48Å; E292-L296 VanDerWaalsContact O-CG 3.31Å; E292-L296 WeakPolarHBondContact O-CG 3.28Å; E292-L296 PolarHBondContact O-N 2.73Å
293	V	98.5	Very high	98.3	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.024	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-45.5	172.7	171.9	0	0	0	0	110.9	L195 L198 I260 G289 L290 R295 L296 I297 F304	L195-V293 HydrophobicContact CD2-CG1 4.31Å; L195-V293 HydrophobicContact CD2-CG2 3.7Å; L198-V293 HydrophobicContact CD1-CG2 4.07Å; L198-V293 HydrophobicContact CD2-CG2 4.19Å; I260-V293 HydrophobicContact CD1-CG2 4.07Å; G289-V293 VanDerWaalsContact O-CG2 3.27Å; G289-V293 WeakPolarHBondContact O-CG2 3.5Å; G289-V293 PolarHBondContact O-N 2.88Å; L290-V293 PolarHBondContact O-N 3.4Å; V293-R295 PolarHBondContact O-N 3.24Å; V293-L296 PolarHBondContact O-N 2.82Å; V293-I297 HydrophobicContact CG1-CD1 3.77Å; V293-I297 HydrophobicContact CG1-CG1 4.49Å; V293-I297 WeakPolarHBondContact O-CG1 3.39Å; V293-I297 PolarHBondContact O-N 3.47Å; V293-F304 HydrophobicContact CG1-CZ 4.36Å
294	E	98.3	Very high	98.3	Very high	39 Å²	39	52.1 Å²	52.1	18%	0.182	26%	0.259	C	S	.	.	H	α-helix	trans	-59.2	-46.6	176.7	-170.1	161.9	-152.8	0	0	111.6	L290 K291 L296 I297 Q298 F304 Y312	L290-E294 WeakPolarHBondContact O-CB 3.48Å; L290-E294 PolarHBondContact O-N 2.67Å; K291-E294 PolarHBondContact O-N 3.31Å; E294-L296 PolarHBondContact O-N 3.4Å; E294-I297 PolarHBondContact O-N 3.33Å; E294-Q298 WeakPolarHBondContact O-CB 3.23Å; E294-Q298 VanDerWaalsContact O-CG 3.31Å; E294-Q298 WeakPolarHBondContact O-CG 3.23Å; E294-Q298 PolarHBondContact O-N 3Å; E294-F304 HydrophobicContact CB-CD2 4.22Å; E294-F304 HydrophobicContact CB-CE2 3.65Å; E294-F304 HydrophobicContact CG-CD2 3.72Å; E294-F304 HydrophobicContact CG-CE2 3.69Å; E294-F304 WeakPolarHBondContact OE1-CD2 3.36Å; E294-Y312 PolarHBondContact OE1-OH 2.99Å
295	R	98.7	Very high	98.3	Very high	94 Å²	94	48.5 Å²	48.5	36%	0.355	24%	0.24	S	C	.	.	H	α-helix	trans	-56.7	-47.1	176.8	-167.3	-167.5	71.2	66.9	9.2	111.8	K291 E292 V293 Q298 E299	K291-R295 WeakPolarHBondContact O-CB 3.22Å; K291-R295 PolarHBondContact O-N 3.11Å; E292-R295 VanDerWaalsContact CD-NE 3.33Å; E292-R295 PolarHBondContact O-N 2.98Å; E292-R295 IonicContact OE1-CZ 2.6Å; E292-R295 IonicContact OE1-NE 3.62Å; E292-R295 PolarHBondContact OE1-NE 3.38Å; E292-R295 IonicContact OE1-NH2 3.9Å; E292-R295 PolarHBondContact OE1-NH2 2.89Å; E292-R295 IonicContact OE2-CZ 3.86Å; E292-R295 IonicContact OE2-NE 3.76Å; E292-R295 PolarHBondContact OE2-NE 2.64Å; E292-R295 IonicContact OE2-NH2 3.39Å; V293-R295 PolarHBondContact O-N 3.24Å; R295-Q298 PolarHBondContact O-N 2.92Å; R295-E299 IonicContact CZ-OE1 3.49Å; R295-E299 IonicContact CZ-OE2 3.83Å; R295-E299 IonicContact NH1-OE1 3.23Å; R295-E299 PolarHBondContact NH1-OE1 3.08Å; R295-E299 IonicContact NH1-OE2 3.03Å; R295-E299 PolarHBondContact NH1-OE2 3.44Å; R295-E299 IonicContact NH2-OE2 2.83Å; R295-E299 WeakPolarHBondContact O-CG 3.1Å; R295-E299 PolarHBondContact O-N 3.42Å
296	L	98.6	Very high	98.3	Very high	15 Å²	15	52.3 Å²	52.3	8%	0.079	25%	0.254	C	S	.	.	H	α-helix	trans	-68.1	-34.6	-179.1	-72.3	164.1	0	0	0	112.8	A194 L198 E292 V293 E294	A194-L296 HydrophobicContact CB-CB 4Å; A194-L296 WeakPolarHBondContact O-CD1 3.11Å; L198-L296 HydrophobicContact CD2-CD1 3.77Å; L198-L296 HydrophobicContact CG-CD1 4.2Å; E292-L296 HydrophobicContact CG-CD1 4.04Å; E292-L296 WeakPolarHBondContact O-CB 3.17Å; E292-L296 WeakPolarHBondContact O-CD1 3.48Å; E292-L296 VanDerWaalsContact O-CG 3.31Å; E292-L296 WeakPolarHBondContact O-CG 3.28Å; E292-L296 PolarHBondContact O-N 2.73Å; V293-L296 PolarHBondContact O-N 2.82Å; E294-L296 PolarHBondContact O-N 3.4Å
297	I	97.9	Very high	98.3	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.015	27%	0.265	C	S	.	.	H	α-helix	trans	-68.4	-43.5	174.1	-72.4	172.7	0	0	0	110.4	I170 A194 V293 E294 E299 K300 W302 F304	I170-I297 HydrophobicContact CD1-CD1 3.96Å; I170-I297 HydrophobicContact CD1-CG2 4.23Å; A194-I297 HydrophobicContact CB-CD1 4.47Å; A194-I297 HydrophobicContact CB-CG1 3.56Å; V293-I297 HydrophobicContact CG1-CD1 3.77Å; V293-I297 HydrophobicContact CG1-CG1 4.49Å; V293-I297 WeakPolarHBondContact O-CG1 3.39Å; V293-I297 PolarHBondContact O-N 3.47Å; E294-I297 PolarHBondContact O-N 3.33Å; I297-E299 PolarHBondContact O-N 3.08Å; I297-K300 PolarHBondContact O-N 3.35Å; I297-K300 VanDerWaalsContact O-N 3.07Å; I297-W302 HydrophobicContact CG2-CB 3.47Å; I297-W302 VanDerWaalsContact CG2-CB 3.47Å; I297-W302 PolarHBondContact O-N 2.69Å; I297-F304 HydrophobicContact CD1-CE1 3.54Å; I297-F304 HydrophobicContact CD1-CZ 3.57Å
298	Q	98.1	Very high	98.3	Very high	102 Å²	102	60.3 Å²	60.3	48%	0.477	29%	0.293	S	S	.	.	H	α-helix	trans	-63.5	-38.1	176.7	-73.5	174.7	-5.9	0	0	112.9	E294 R295 K300 G301 W302	E294-Q298 WeakPolarHBondContact O-CB 3.23Å; E294-Q298 VanDerWaalsContact O-CG 3.31Å; E294-Q298 WeakPolarHBondContact O-CG 3.23Å; E294-Q298 PolarHBondContact O-N 3Å; R295-Q298 PolarHBondContact O-N 2.92Å; Q298-K300 PolarHBondContact O-N 2.88Å; Q298-K300 VanDerWaalsContact O-N 3.1Å; Q298-G301 PolarHBondContact O-N 3.43Å; Q298-W302 VanDerWaalsContact CA-O 3.29Å; Q298-W302 WeakPolarHBondContact CA-O 3.43Å
299	E	97.4	Very high	98.3	Very high	122 Å²	122	59.7 Å²	59.7	57%	0.57	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.6	173.5	-79.2	-175.2	155.1	0	0	113.4	R295 I297	R295-E299 IonicContact CZ-OE1 3.49Å; R295-E299 IonicContact CZ-OE2 3.83Å; R295-E299 IonicContact NH1-OE1 3.23Å; R295-E299 PolarHBondContact NH1-OE1 3.08Å; R295-E299 IonicContact NH1-OE2 3.03Å; R295-E299 PolarHBondContact NH1-OE2 3.44Å; R295-E299 IonicContact NH2-OE2 2.83Å; R295-E299 WeakPolarHBondContact O-CG 3.1Å; R295-E299 PolarHBondContact O-N 3.42Å; I297-E299 PolarHBondContact O-N 3.08Å
300	K	95.3	Very high	98.3	Very high	142 Å²	142	59.7 Å²	59.7	62%	0.617	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	6.9	176.3	-59.1	-60.1	-175.9	-179	0	113.3	I297 Q298	I297-K300 PolarHBondContact O-N 3.35Å; I297-K300 VanDerWaalsContact O-N 3.07Å; Q298-K300 PolarHBondContact O-N 2.88Å; Q298-K300 VanDerWaalsContact O-N 3.1Å
301	G	97.9	Very high	98.3	Very high	70 Å²	70	59.7 Å²	59.7	72%	0.722	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	16.1	177.6	0	0	0	0	0	114.6	Q298	Q298-G301 PolarHBondContact O-N 3.43Å
302	W	98.7	Very high	98.3	Very high	59 Å²	59	55.6 Å²	55.6	22%	0.223	27%	0.265	C	S	.	.			trans	-104.3	154.5	176.8	-66.8	92.1	0	0	0	111.2	I170 L173 E186 V190 I297 Q298	I170-W302 HydrophobicContact CG2-CB 4.36Å; I170-W302 HydrophobicContact CG2-CD2 3.99Å; I170-W302 HydrophobicContact CG2-CE3 3.32Å; I170-W302 HydrophobicContact CG2-CG 4.43Å; I170-W302 HydrophobicContact CG2-CZ3 3.91Å; L173-W302 HydrophobicContact CD1-CH2 4.07Å; L173-W302 HydrophobicContact CD1-CZ3 3.85Å; L173-W302 HydrophobicContact CD2-CH2 4.49Å; L173-W302 HydrophobicContact CG-CH2 4.35Å; L173-W302 HydrophobicContact CG-CZ3 3.99Å; E186-W302 HydrophobicContact CG-CH2 4.02Å; E186-W302 HydrophobicContact CG-CZ2 4.16Å; E186-W302 WeakPolarHBondContact OE1-CZ2 3.37Å; V190-W302 HydrophobicContact CG1-CB 4.25Å; V190-W302 HydrophobicContact CG1-CD2 4.14Å; V190-W302 HydrophobicContact CG1-CG 3.77Å; V190-W302 HydrophobicContact CG2-CD2 3.98Å; V190-W302 HydrophobicContact CG2-CG 4.31Å; V190-W302 HydrophobicContact CG2-CH2 4.39Å; V190-W302 HydrophobicContact CG2-CZ2 3.63Å; I297-W302 HydrophobicContact CG2-CB 3.47Å; I297-W302 VanDerWaalsContact CG2-CB 3.47Å; I297-W302 PolarHBondContact O-N 2.69Å; Q298-W302 VanDerWaalsContact CA-O 3.29Å; Q298-W302 WeakPolarHBondContact CA-O 3.43Å
303	E	98.5	Very high	98.3	Very high	103 Å²	103	52.9 Å²	52.9	48%	0.481	25%	0.252	S	S	.	.			trans	-126.8	159	177.4	-61.5	-174.7	141.2	0	0	110.5	R171	R171-E303 HydrophobicContact CB-CB 4.25Å; R171-E303 WeakPolarHBondContact CB-O 3.28Å; R171-E303 IonicContact CZ-OE2 3.86Å; R171-E303 PolarHBondContact N-O 2.98Å; R171-E303 IonicContact NH1-OE2 2.85Å; R171-E303 PolarHBondContact NH1-OE2 2.89Å
304	F	98.8	Very high	98.3	Very high	10 Å²	10	52.8 Å²	52.8	4%	0.044	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-82.4	144	163.3	-66.7	-41.9	0	0	0	111	R168 S169 I170 V293 E294 I297 W306 Y312	R168-F304 HydrophobicContact CB-CD1 3.65Å; R168-F304 HydrophobicContact CB-CD2 4.29Å; R168-F304 HydrophobicContact CB-CE1 3.47Å; R168-F304 VanDerWaalsContact CB-CE1 3.47Å; R168-F304 HydrophobicContact CB-CE2 4.12Å; R168-F304 HydrophobicContact CB-CG 4.07Å; R168-F304 HydrophobicContact CB-CZ 3.71Å; R168-F304 HydrophobicContact CG-CD1 4.3Å; R168-F304 HydrophobicContact CG-CD2 4.04Å; R168-F304 HydrophobicContact CG-CE1 4.06Å; R168-F304 HydrophobicContact CG-CE2 3.77Å; R168-F304 HydrophobicContact CG-CG 4.3Å; R168-F304 HydrophobicContact CG-CZ 3.78Å; S169-F304 CarbonylContact O-C 3.41Å; S169-F304 VanDerWaalsContact O-CA 3.24Å; S169-F304 WeakPolarHBondContact O-CA 3.46Å; I170-F304 HydrophobicContact CD1-CD1 3.98Å; I170-F304 HydrophobicContact CD1-CE1 3.74Å; V293-F304 HydrophobicContact CG1-CZ 4.36Å; E294-F304 HydrophobicContact CB-CD2 4.22Å; E294-F304 HydrophobicContact CB-CE2 3.65Å; E294-F304 HydrophobicContact CG-CD2 3.72Å; E294-F304 HydrophobicContact CG-CE2 3.69Å; E294-F304 WeakPolarHBondContact OE1-CD2 3.36Å; I297-F304 HydrophobicContact CD1-CE1 3.54Å; I297-F304 HydrophobicContact CD1-CZ 3.57Å; F304-W306 PolarHBondContact O-N 3.4Å; F304-W306 VanDerWaalsContact O-N 3.15Å; F304-Y312 HydrophobicContact CB-CD1 4.22Å; F304-Y312 HydrophobicContact CB-CE1 4.08Å; F304-Y312 HydrophobicContact CD2-CE1 4.21Å
305	M	98.9	Very high	98.3	Very high	2 Å²	2	51 Å²	51	1%	0.01	24%	0.243	C	C	.	.			trans	-64.5	113	169.7	-59.3	179.8	178.8	0	0	109.2	E112 S169 I170 R171 L173 L175 I313	E112-M305 HydrophobicContact CB-CE 4.24Å; E112-M305 HydrophobicContact CB-CG 4.31Å; E112-M305 HydrophobicContact CB-SD 3.82Å; E112-M305 HydrophobicContact CG-CB 4.25Å; E112-M305 HydrophobicContact CG-CG 4.28Å; E112-M305 HydrophobicContact CG-SD 4.27Å; S169-M305 VanDerWaalsContact CB-SD 3.52Å; S169-M305 PolarHBondContact O-N 3.39Å; I170-M305 VanDerWaalsContact O-CE 3.29Å; I170-M305 WeakPolarHBondContact O-CE 3.38Å; R171-M305 HydrophobicContact CB-CG 4.05Å; L173-M305 WeakPolarHBondContact O-CE 3.4Å; L175-M305 HydrophobicContact CD2-CE 4.1Å; L175-M305 HydrophobicContact CD2-SD 3.95Å; M305-I313 HydrophobicContact CB-CB 3.73Å; M305-I313 HydrophobicContact CB-CG1 4.27Å; M305-I313 HydrophobicContact CB-CG2 4.43Å; M305-I313 PolarHBondContact O-N 2.97Å; M305-I313 HydrophobicContact SD-CB 4.5Å; M305-I313 HydrophobicContact SD-CG2 4.24Å
306	W	98.8	Very high	98.3	Very high	102 Å²	102	48 Å²	48	39%	0.386	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	141.6	-179.6	-179.8	98.9	0	0	0	110.6	R171 F304 E308 G311 Y312	R171-W306 PolarHBondContact NH2-O 2.92Å; F304-W306 PolarHBondContact O-N 3.4Å; F304-W306 VanDerWaalsContact O-N 3.15Å; W306-E308 HydrophobicContact CH2-CB 4.31Å; W306-G311 VanDerWaalsContact CA-O 3.31Å; W306-G311 WeakPolarHBondContact CA-O 3.42Å; W306-Y312 HydrophobicContact CB-CD1 4.08Å; W306-Y312 HydrophobicContact CB-CE1 4.3Å; W306-Y312 AromaticContact CD1-CD1 3.8Å; W306-Y312 AromaticContact CD1-CD2 3.84Å; W306-Y312 AromaticContact CD1-CE1 3.93Å; W306-Y312 AromaticContact CD1-CE2 3.94Å; W306-Y312 AromaticContact CD1-CG 3.78Å; W306-Y312 HydrophobicContact CG-CD1 4.34Å; W306-Y312 HydrophobicContact CG-CE1 4.42Å
307	N	98.6	Very high	98.3	Very high	42 Å²	42	47.3 Å²	47.3	23%	0.225	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	163.6	167.1	64.5	56.2	0	0	0	111.5	R309 L310 G311	N307-R309 VanDerWaalsContact C-N 3.34Å; N307-R309 PolarHBondContact O-N 3.39Å; N307-R309 WeakPolarHBondContact OD1-CG 3.46Å; N307-R309 PolarHBondContact OD1-N 3.11Å; N307-L310 PolarHBondContact O-N 3.28Å; N307-L310 WeakPolarHBondContact OD1-CB 3.42Å; N307-L310 PolarHBondContact OD1-N 3.25Å; N307-G311 PolarHBondContact N-O 3.4Å; N307-G311 VanDerWaalsContact O-CA 3.27Å; N307-G311 WeakPolarHBondContact O-CA 3.48Å; N307-G311 PolarHBondContact O-N 3.2Å
308	E	98.2	Very high	98.2	Very high	126 Å²	126	48 Å²	48	59%	0.589	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-34.7	-172.7	-174	179.1	-171	0	0	113.6	T139 H140 W306	T139-E308 HydrophobicContact CG2-CG 3.71Å; H140-E308 PolarHBondContact N-O 2.63Å; W306-E308 HydrophobicContact CH2-CB 4.31Å
309	R	98.2	Very high	98.2	Very high	61 Å²	61	43.7 Å²	43.7	23%	0.23	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-29.9	-176.6	59.8	156.1	-164.9	128.1	-1.9	114	Y115 D123 Y133 N307	Y115-R309 PolarHBondContact O-NH2 2.89Å; D123-R309 IonicContact OD1-NH1 3.4Å; D123-R309 PolarHBondContact OD1-NH1 3.2Å; Y133-R309 WeakPolarHBondContact CE1-O 3.48Å; Y133-R309 PolarHBondContact OH-O 3.12Å; N307-R309 VanDerWaalsContact C-N 3.34Å; N307-R309 PolarHBondContact O-N 3.39Å; N307-R309 WeakPolarHBondContact OD1-CG 3.46Å; N307-R309 PolarHBondContact OD1-N 3.11Å
310	L	98.6	Very high	98.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-6.6	-174.7	-63.7	-172.3	0	0	0	113.5	Y115 I126 P135 N307 I313 L320 G321	Y115-L310 HydrophobicContact CD1-CD1 3.76Å; Y115-L310 HydrophobicContact CG-CD1 3.8Å; I126-L310 HydrophobicContact CD1-CD2 3.99Å; P135-L310 HydrophobicContact CB-CD2 3.58Å; P135-L310 HydrophobicContact CG-CD2 4.46Å; N307-L310 PolarHBondContact O-N 3.28Å; N307-L310 WeakPolarHBondContact OD1-CB 3.42Å; N307-L310 PolarHBondContact OD1-N 3.25Å; L310-I313 HydrophobicContact CB-CD1 3.56Å; L310-I313 HydrophobicContact CD1-CD1 3.63Å; L310-I313 HydrophobicContact CG-CD1 4.22Å; L310-L320 HydrophobicContact CB-CD2 4.46Å; L310-L320 HydrophobicContact CD1-CD1 4.26Å; L310-L320 HydrophobicContact CD2-CD1 4.17Å; L310-G321 WeakPolarHBondContact O-CA 3.24Å; L310-G321 PolarHBondContact O-N 3.4Å
311	G	98.7	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.5	-141	-170.9	0	0	0	0	0	111.7	H140 W306 N307	H140-G311 VanDerWaalsContact CD2-CA 3.45Å; H140-G311 WeakPolarHBondContact CD2-CA 3.07Å; W306-G311 VanDerWaalsContact CA-O 3.31Å; W306-G311 WeakPolarHBondContact CA-O 3.42Å; N307-G311 PolarHBondContact N-O 3.4Å; N307-G311 VanDerWaalsContact O-CA 3.27Å; N307-G311 WeakPolarHBondContact O-CA 3.48Å; N307-G311 PolarHBondContact O-N 3.2Å
312	Y	98.8	Very high	98.4	Very high	14 Å²	14	27.8 Å²	27.8	6%	0.055	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	131.4	175.4	-68.9	-78.9	0	0	0	110.9	T142 R168 E294 F304 W306 G321	T142-Y312 HydrophobicContact CG2-CE2 4.1Å; R168-Y312 VanDerWaalsContact CD-CD1 3.5Å; R168-Y312 VanDerWaalsContact CZ-CD2 3.44Å; R168-Y312 VanDerWaalsContact CZ-CE2 3.46Å; R168-Y312 VanDerWaalsContact NH2-CD2 3.33Å; E294-Y312 PolarHBondContact OE1-OH 2.99Å; F304-Y312 HydrophobicContact CB-CD1 4.22Å; F304-Y312 HydrophobicContact CB-CE1 4.08Å; F304-Y312 HydrophobicContact CD2-CE1 4.21Å; W306-Y312 HydrophobicContact CB-CD1 4.08Å; W306-Y312 HydrophobicContact CB-CE1 4.3Å; W306-Y312 AromaticContact CD1-CD1 3.8Å; W306-Y312 AromaticContact CD1-CD2 3.84Å; W306-Y312 AromaticContact CD1-CE1 3.93Å; W306-Y312 AromaticContact CD1-CE2 3.94Å; W306-Y312 AromaticContact CD1-CG 3.78Å; W306-Y312 HydrophobicContact CG-CD1 4.34Å; W306-Y312 HydrophobicContact CG-CE1 4.42Å; Y312-G321 WeakPolarHBondContact CB-O 3.24Å; Y312-G321 PolarHBondContact N-O 3.23Å; Y312-G321 PolarHBondContact O-N 2.8Å
313	I	98.9	Very high	98.4	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.118	C	C	.	.			trans	-88.2	129.7	-179.4	-59.2	-60.9	0	0	0	110.1	E112 Y115 S169 M305 L310 L320	E112-I313 HydrophobicContact CG-CG1 4.41Å; Y115-I313 HydrophobicContact CD2-CD1 4.23Å; Y115-I313 HydrophobicContact CD2-CG2 3.66Å; Y115-I313 HydrophobicContact CE2-CG2 3.52Å; S169-I313 WeakPolarHBondContact CB-O 3.47Å; S169-I313 PolarHBondContact OG-O 2.87Å; M305-I313 HydrophobicContact CB-CB 3.73Å; M305-I313 HydrophobicContact CB-CG1 4.27Å; M305-I313 HydrophobicContact CB-CG2 4.43Å; M305-I313 PolarHBondContact O-N 2.97Å; M305-I313 HydrophobicContact SD-CB 4.5Å; M305-I313 HydrophobicContact SD-CG2 4.24Å; L310-I313 HydrophobicContact CB-CD1 3.56Å; L310-I313 HydrophobicContact CD1-CD1 3.63Å; L310-I313 HydrophobicContact CG-CD1 4.22Å; I313-L320 HydrophobicContact CD1-CD2 3.87Å
314	L	98.9	Very high	98.3	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.095	C	C	.	.			trans	-133.4	168.6	175.2	-67.3	177.6	0	0	0	110.3	Y115 G167 S169 D266 C316 N319	Y115-L314 WeakPolarHBondContact CE2-O 3.44Å; Y115-L314 PolarHBondContact OH-O 2.81Å; G167-L314 VanDerWaalsContact C-CD2 3.43Å; S169-L314 WeakPolarHBondContact OG-CD2 3.45Å; D266-L314 HydrophobicContact CB-CD2 4.04Å; L314-C316 PolarHBondContact O-N 3.39Å; L314-N319 HydrophobicContact CB-CB 4.18Å; L314-N319 HydrophobicContact CD1-CB 3.78Å; L314-N319 WeakPolarHBondContact CD1-O 3.49Å
315	T	98.8	Very high	98.3	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.012	10%	0.096	C	C	.	.	S	Bend	trans	-59.9	-46.5	-174	-51.8	0	0	0	0	112.8	V108 A109 P176 P177 M240 E265 D266	V108-T315 WeakPolarHBondContact CA-O 3.35Å; V108-T315 HydrophobicContact CB-CG2 4.12Å; V108-T315 HydrophobicContact CG1-CG2 4.32Å; A109-T315 PolarHBondContact N-O 2.85Å; P176-T315 WeakPolarHBondContact CD-OG1 3.16Å; P177-T315 HydrophobicContact CG-CG2 3.36Å; M240-T315 HydrophobicContact CE-CG2 4.15Å; M240-T315 HydrophobicContact SD-CG2 4.12Å; E265-T315 PolarHBondContact O-OG1 3.21Å; D266-T315 WeakPolarHBondContact OD1-CB 3.35Å; D266-T315 PolarHBondContact OD1-N 3.43Å; D266-T315 PolarHBondContact OD1-OG1 3.21Å
316	C	98.3	Very high	98.2	Very high	31 Å²	31	20.4 Å²	20.4	21%	0.209	10%	0.095	C	C	.	.	S	Bend	trans	-96.7	128.7	-177.8	-177.2	0	0	0	0	110.3	L314 S318 N319	L314-C316 PolarHBondContact O-N 3.39Å; C316-S318 PolarHBondContact O-N 3.32Å; C316-S318 PolarHBondContact SG-OG 3.46Å; C316-N319 PolarHBondContact O-N 3.33Å
317	P	98.2	Very high	98.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-55.1	-25	178.1	-28.1	34.1	0	0	0	114.1	V105 M107 Y115 L122 I126 H130 N319 L320	V105-P317 HydrophobicContact CG1-CB 3.96Å; V105-P317 HydrophobicContact CG1-CG 3.83Å; M107-P317 HydrophobicContact CG-CG 4.34Å; M107-P317 VanDerWaalsContact O-CD 3.3Å; M107-P317 WeakPolarHBondContact O-CD 3.42Å; Y115-P317 HydrophobicContact CE1-CB 4.47Å; Y115-P317 HydrophobicContact CE1-CG 4.22Å; L122-P317 HydrophobicContact CD2-CB 4.46Å; L122-P317 HydrophobicContact CD2-CG 3.63Å; I126-P317 HydrophobicContact CG1-CB 4.11Å; H130-P317 PolarHBondContact NE2-O 2.95Å; P317-N319 PolarHBondContact O-N 3.22Å; P317-L320 HydrophobicContact CB-CD1 4.41Å; P317-L320 WeakPolarHBondContact O-CG 3.21Å; P317-L320 PolarHBondContact O-N 3.33Å
318	S	95.8	Very high	98.1	Very high	17 Å²	17	13.9 Å²	13.9	12%	0.119	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-67.8	-13.6	176.3	72.6	0	0	0	0	114.8	H130 C316 R374	H130-S318 PolarHBondContact CE1-O 3.14Å; C316-S318 PolarHBondContact O-N 3.32Å; C316-S318 PolarHBondContact SG-OG 3.46Å; S318-R374 VanDerWaalsContact O-CD 3.3Å; S318-R374 WeakPolarHBondContact O-CD 3.45Å; S318-R374 PolarHBondContact O-NH1 2.75Å
319	N	97.8	Very high	98	Very high	13 Å²	13	10.5 Å²	10.5	7%	0.07	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-110.3	10.5	-178.7	-61.8	-36.9	0	0	0	113.1	R269 L314 C316 P317 G323	R269-N319 PolarHBondContact NH2-ND2 3.36Å; L314-N319 HydrophobicContact CB-CB 4.18Å; L314-N319 HydrophobicContact CD1-CB 3.78Å; L314-N319 WeakPolarHBondContact CD1-O 3.49Å; C316-N319 PolarHBondContact O-N 3.33Å; P317-N319 PolarHBondContact O-N 3.22Å; N319-G323 WeakPolarHBondContact O-CA 3.16Å; N319-G323 PolarHBondContact O-N 3.38Å
320	L	98.5	Very high	97.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.043	C	C	.	.			trans	-62.4	169.1	171.5	-66.7	173.4	0	0	0	112.5	Y115 I126 L310 I313 P317 T322 R374 L375	Y115-L320 HydrophobicContact CD1-CD1 4.27Å; Y115-L320 HydrophobicContact CE1-CD1 3.66Å; Y115-L320 HydrophobicContact CE1-CD2 4.01Å; Y115-L320 HydrophobicContact CE1-CG 4.24Å; Y115-L320 HydrophobicContact CE2-CD2 4.13Å; I126-L320 HydrophobicContact CD1-CD1 3.46Å; I126-L320 VanDerWaalsContact CD1-CD1 3.46Å; I126-L320 HydrophobicContact CG1-CD1 3.75Å; L310-L320 HydrophobicContact CB-CD2 4.46Å; L310-L320 HydrophobicContact CD1-CD1 4.26Å; L310-L320 HydrophobicContact CD2-CD1 4.17Å; I313-L320 HydrophobicContact CD1-CD2 3.87Å; P317-L320 HydrophobicContact CB-CD1 4.41Å; P317-L320 WeakPolarHBondContact O-CG 3.21Å; P317-L320 PolarHBondContact O-N 3.33Å; L320-T322 PolarHBondContact O-N 3.12Å; L320-R374 CarbonylContact O-C 3.51Å; L320-L375 HydrophobicContact CB-CD1 4.49Å; L320-L375 HydrophobicContact CB-CD2 4.24Å
321	G	98.4	Very high	97.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.057	C	C	.	.	B	Isolated β-bridge	trans	82.6	-110.9	177.7	0	0	0	0	0	110.3	H140 L310 Y312 G323	H140-G321 VanDerWaalsContact NE2-CA 3.31Å; H140-G321 WeakPolarHBondContact NE2-CA 3.48Å; L310-G321 WeakPolarHBondContact O-CA 3.24Å; L310-G321 PolarHBondContact O-N 3.4Å; Y312-G321 WeakPolarHBondContact CB-O 3.24Å; Y312-G321 PolarHBondContact N-O 3.23Å; Y312-G321 PolarHBondContact O-N 2.8Å; G321-G323 VanDerWaalsContact C-N 3.33Å
322	T	98.6	Very high	97.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-23.3	177.1	59.8	0	0	0	0	112.5	H140 T166 L320 L324 R374 Q377 E379 L382	H140-T322 PolarHBondContact NE2-N 2.87Å; T166-T322 PolarHBondContact OG1-O 3.14Å; L320-T322 PolarHBondContact O-N 3.12Å; T322-L324 PolarHBondContact O-N 3.03Å; T322-L324 VanDerWaalsContact OG1-CB 3.32Å; T322-L324 WeakPolarHBondContact OG1-CB 3.39Å; T322-L324 PolarHBondContact OG1-N 3.37Å; T322-R374 PolarHBondContact N-O 2.95Å; T322-R374 PolarHBondContact OG1-O 3.01Å; T322-Q377 VanDerWaalsContact CG2-O 3.24Å; T322-Q377 WeakPolarHBondContact CG2-O 3.47Å; T322-E379 HydrophobicContact CG2-CG 3.78Å; T322-L382 HydrophobicContact CG2-CD1 3.77Å; T322-L382 VanDerWaalsContact OG1-CD1 3.24Å; T322-L382 WeakPolarHBondContact OG1-CD1 3.5Å
323	G	97.4	Very high	97.6	Very high	4 Å²	4	11.6 Å²	11.6	4%	0.041	7%	0.067	C	C	.	.			trans	58	7.2	-162.4	0	0	0	0	0	114.2	T166 N319 G321	T166-G323 WeakPolarHBondContact CA-O 3.31Å; T166-G323 WeakPolarHBondContact OG1-CA 3.38Å; N319-G323 WeakPolarHBondContact O-CA 3.16Å; N319-G323 PolarHBondContact O-N 3.38Å; G321-G323 VanDerWaalsContact C-N 3.33Å
324	L	98.2	Very high	97.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.			trans	-81.4	134.2	-163	-174.4	147.5	0	0	0	111.3	V164 R165 F283 F286 T322 A326 N371 E379 L382 V383	V164-L324 HydrophobicContact CG1-CD1 3.84Å; V164-L324 HydrophobicContact CG1-CG 4.04Å; R165-L324 CarbonylContact O-C 3.56Å; R165-L324 VanDerWaalsContact O-CA 3.27Å; R165-L324 WeakPolarHBondContact O-CA 3.48Å; F283-L324 HydrophobicContact CE2-CD1 4.21Å; F286-L324 HydrophobicContact CE1-CD1 4.04Å; F286-L324 HydrophobicContact CZ-CD1 4.38Å; T322-L324 PolarHBondContact O-N 3.03Å; T322-L324 VanDerWaalsContact OG1-CB 3.32Å; T322-L324 WeakPolarHBondContact OG1-CB 3.39Å; T322-L324 PolarHBondContact OG1-N 3.37Å; L324-A326 HydrophobicContact CD2-CB 3.76Å; L324-N371 PolarHBondContact O-ND2 2.61Å; L324-E379 HydrophobicContact CD1-CB 3.69Å; L324-E379 HydrophobicContact CD1-CG 3.7Å; L324-L382 HydrophobicContact CB-CD1 4.38Å; L324-L382 HydrophobicContact CD2-CB 4.07Å; L324-L382 HydrophobicContact CD2-CD1 4.44Å; L324-V383 HydrophobicContact CD1-CG2 4.12Å; L324-V383 HydrophobicContact CD2-CG2 4.07Å
325	R	97.5	Very high	97.5	Very high	14 Å²	14	17 Å²	17	5%	0.053	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	100.7	163.6	-165.5	172.2	95.9	114.6	-10.3	109.2	R165 D368 S370 N371	R165-R325 HydrophobicContact CG-CB 3.83Å; R165-R325 PolarHBondContact N-O 3.25Å; R165-R325 PolarHBondContact O-N 3.43Å; R325-D368 IonicContact CZ-OD1 3.21Å; R325-D368 IonicContact CZ-OD2 2.68Å; R325-D368 IonicContact NH1-OD1 2.64Å; R325-D368 PolarHBondContact NH1-OD1 2.94Å; R325-D368 IonicContact NH1-OD2 3.24Å; R325-D368 PolarHBondContact NH1-OD2 2.91Å; R325-D368 IonicContact NH2-OD1 2.73Å; R325-D368 IonicContact NH2-OD2 3.19Å; R325-D368 PolarHBondContact NH2-OD2 2.91Å; R325-S370 WeakPolarHBondContact CD-OG 3.26Å; R325-S370 WeakPolarHBondContact CG-OG 3.43Å; R325-S370 PolarHBondContact NH1-OG 3.23Å; R325-N371 WeakPolarHBondContact CA-OD1 3.38Å
326	A	98	Very high	97.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	135.4	167.6	0	0	0	0	0	109.1	R163 V164 L324 S370 N371 V383 V386	R163-A326 CarbonylContact O-C 3.53Å; R163-A326 WeakPolarHBondContact O-CA 3.18Å; V164-A326 HydrophobicContact CG1-CB 4.44Å; V164-A326 HydrophobicContact CG2-CB 3.97Å; L324-A326 HydrophobicContact CD2-CB 3.76Å; A326-S370 WeakPolarHBondContact O-CA 3.08Å; A326-S370 WeakPolarHBondContact O-CB 3.45Å; A326-N371 PolarHBondContact N-OD1 3.3Å; A326-N371 PolarHBondContact O-N 3.3Å; A326-N371 PolarHBondContact O-OD1 2.8Å; A326-N371 VanDerWaalsContact O-OD1 3.09Å; A326-V383 HydrophobicContact CB-CG2 3.87Å; A326-V386 HydrophobicContact CB-CG2 4.13Å; A326-V386 WeakPolarHBondContact O-CG2 3.45Å
327	G	97.2	Very high	97.2	Very high	5 Å²	5	25 Å²	25	5%	0.052	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	174.3	-178.6	0	0	0	0	0	113.9	R163 M279 I369	R163-G327 PolarHBondContact N-O 3.49Å; R163-G327 PolarHBondContact O-N 3.05Å; M279-G327 WeakPolarHBondContact CE-O 3.4Å; G327-I369 CarbonylContact C-O 3.59Å; G327-I369 WeakPolarHBondContact CA-O 3.29Å
328	V	97.4	Very high	97.1	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	150.8	-178.1	-65.7	0	0	0	0	110.5	F154 V159 S161 M279 V330 D368 I369 V390	F154-V328 HydrophobicContact CD2-CG1 3.87Å; F154-V328 HydrophobicContact CE2-CG1 3.52Å; F154-V328 HydrophobicContact CZ-CG1 4.4Å; V159-V328 HydrophobicContact CG1-CB 3.95Å; V159-V328 HydrophobicContact CG1-CG1 3.88Å; V159-V328 HydrophobicContact CG2-CB 4.47Å; V159-V328 HydrophobicContact CG2-CG2 4.49Å; S161-V328 CarbonylContact O-C 3.49Å; S161-V328 VanDerWaalsContact O-CA 3.23Å; S161-V328 WeakPolarHBondContact O-CA 3.43Å; M279-V328 HydrophobicContact CE-CG1 3.93Å; V328-V330 HydrophobicContact CG2-CB 3.95Å; V328-V330 HydrophobicContact CG2-CG1 4.1Å; V328-D368 WeakPolarHBondContact O-CA 3.31Å; V328-I369 HydrophobicContact CG2-CB 4.36Å; V328-I369 PolarHBondContact N-O 3.06Å; V328-I369 PolarHBondContact O-N 3.49Å; V328-V390 HydrophobicContact CG2-CB 4.5Å; V328-V390 HydrophobicContact CG2-CG1 3.95Å; V328-V390 HydrophobicContact CG2-CG2 3.66Å
329	H	96.1	Very high	97.2	Very high	55 Å²	55	31.3 Å²	31.3	26%	0.255	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	114.4	154.6	-72.6	164.3	0	0	0	108.2	V159 L160 S161 T355 T366 F367	V159-H329 WeakPolarHBondContact CA-O 3.47Å; L160-H329 HydrophobicContact CB-CB 4.21Å; L160-H329 PolarHBondContact N-O 3.34Å; S161-H329 PolarHBondContact O-N 2.97Å; S161-H329 WeakPolarHBondContact OG-CB 3.49Å; S161-H329 PolarHBondContact OG-ND1 3.36Å; H329-T355 PolarHBondContact CE1-O 3Å; H329-T355 PolarHBondContact NE2-O 2.62Å; H329-T366 HydrophobicContact CB-CG2 4.11Å; H329-F367 WeakPolarHBondContact CA-O 3.31Å
330	V	96.8	Very high	97.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.7	-177.6	64	0	0	0	0	110.8	Y158 V159 V328 L332 T366 F367 I369 I394	Y158-V330 CarbonylContact O-C 3.54Å; Y158-V330 WeakPolarHBondContact O-CA 3.18Å; V159-V330 HydrophobicContact CG2-CB 4.33Å; V159-V330 HydrophobicContact CG2-CG2 4.07Å; V328-V330 HydrophobicContact CG2-CB 3.95Å; V328-V330 HydrophobicContact CG2-CG1 4.1Å; V330-L332 HydrophobicContact CG1-CD1 3.77Å; V330-L332 HydrophobicContact CG1-CG 4.08Å; V330-L332 HydrophobicContact CG2-CD1 4.39Å; V330-L332 HydrophobicContact CG2-CD2 3.98Å; V330-L332 HydrophobicContact CG2-CG 3.96Å; V330-T366 WeakPolarHBondContact O-CA 3.33Å; V330-F367 PolarHBondContact N-O 3.13Å; V330-F367 PolarHBondContact O-N 3.33Å; V330-I369 HydrophobicContact CG1-CB 4.21Å; V330-I369 HydrophobicContact CG1-CG1 3.53Å; V330-I394 HydrophobicContact CG2-CG1 4.46Å
331	N	96.3	Very high	97.1	Very high	56 Å²	56	34 Å²	34	30%	0.299	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.1	177	-169.4	4.6	0	0	0	110.3	Y158 S365	Y158-N331 PolarHBondContact O-N 2.87Å; N331-S365 WeakPolarHBondContact CA-O 3.35Å; N331-S365 WeakPolarHBondContact OD1-CB 3.42Å; N331-S365 PolarHBondContact OD1-O 3.34Å
332	L	96.3	Very high	96.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.			trans	-133.4	64.9	-173.5	-63.9	172.8	0	0	0	111.6	V330 K334 L335 S336 F341 S365 F367 L393 E397	V330-L332 HydrophobicContact CG1-CD1 3.77Å; V330-L332 HydrophobicContact CG1-CG 4.08Å; V330-L332 HydrophobicContact CG2-CD1 4.39Å; V330-L332 HydrophobicContact CG2-CD2 3.98Å; V330-L332 HydrophobicContact CG2-CG 3.96Å; L332-K334 PolarHBondContact O-N 3.48Å; L332-L335 HydrophobicContact CB-CB 4.36Å; L332-L335 HydrophobicContact CD1-CD2 4.37Å; L332-S336 WeakPolarHBondContact O-CB 3.42Å; L332-S336 PolarHBondContact O-N 3.47Å; L332-S336 VanDerWaalsContact O-N 3.09Å; L332-S336 PolarHBondContact O-OG 3.42Å; L332-F341 HydrophobicContact CD1-CE2 4.36Å; L332-F341 HydrophobicContact CD1-CZ 4.23Å; L332-S365 PolarHBondContact N-O 3.14Å; L332-F367 HydrophobicContact CB-CD2 4.46Å; L332-L393 HydrophobicContact CD1-CB 4.31Å; L332-L393 HydrophobicContact CD1-CD1 4.34Å; L332-E397 WeakPolarHBondContact CA-OE2 3.23Å; L332-E397 HydrophobicContact CD2-CB 3.83Å; L332-E397 HydrophobicContact CD2-CG 4.15Å
333	P	96.6	Very high	96.8	Very high	41 Å²	41	41.9 Å²	41.9	27%	0.266	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.9	-170.1	25.8	-34.5	0	0	0	115.4	K337 S365 E397	P333-K337 WeakPolarHBondContact O-CE 3.42Å; P333-S365 WeakPolarHBondContact CA-OG 3.35Å; P333-E397 WeakPolarHBondContact CD-OE1 3.42Å; P333-E397 VanDerWaalsContact CG-OE1 3.27Å; P333-E397 WeakPolarHBondContact CG-OE1 3.3Å
334	K	97.8	Very high	96.8	Very high	115 Å²	115	41.7 Å²	41.7	50%	0.5	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-51.3	176.4	-60.1	-69.4	-174.5	170.2	0	111	L332 S336 K337 D338 E397 L400 E401	L332-K334 PolarHBondContact O-N 3.48Å; K334-S336 VanDerWaalsContact C-N 3.28Å; K334-S336 PolarHBondContact O-N 2.73Å; K334-K337 PolarHBondContact O-N 3.36Å; K334-K337 VanDerWaalsContact O-N 3.12Å; K334-D338 PolarHBondContact O-N 3.34Å; K334-E397 VanDerWaalsContact CB-OE1 3.24Å; K334-E397 WeakPolarHBondContact CB-OE1 3.33Å; K334-E397 WeakPolarHBondContact CG-OE1 3.48Å; K334-E397 PolarHBondContact N-OE1 3.4Å; K334-E397 PolarHBondContact N-OE2 2.95Å; K334-L400 HydrophobicContact CB-CB 3.65Å; K334-L400 HydrophobicContact CB-CD1 3.95Å; K334-L400 HydrophobicContact CB-CG 4.47Å; K334-L400 HydrophobicContact CG-CB 4.25Å; K334-E401 HydrophobicContact CG-CG 4.38Å
335	L	97.5	Very high	96.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-62.5	-36.1	-175.3	-178.5	60.4	0	0	0	111.9	L332 K337 D338 F341 I344 L393 C396 E397 L400 I406	L332-L335 HydrophobicContact CB-CB 4.36Å; L332-L335 HydrophobicContact CD1-CD2 4.37Å; L335-K337 PolarHBondContact O-N 3.36Å; L335-K337 VanDerWaalsContact O-N 3.13Å; L335-D338 HydrophobicContact CD1-CB 4.37Å; L335-D338 WeakPolarHBondContact O-CB 3.31Å; L335-D338 PolarHBondContact O-N 2.82Å; L335-F341 HydrophobicContact CD1-CD2 4.34Å; L335-F341 HydrophobicContact CD2-CD2 4.06Å; L335-F341 HydrophobicContact CD2-CE2 4.14Å; L335-F341 HydrophobicContact CG-CD2 3.78Å; L335-F341 HydrophobicContact CG-CE2 4.2Å; L335-F341 HydrophobicContact CG-CG 4.3Å; L335-F341 WeakPolarHBondContact O-CB 3.5Å; L335-I344 HydrophobicContact CD1-CD1 4.1Å; L335-L393 HydrophobicContact CD2-CB 4.14Å; L335-L393 HydrophobicContact CD2-CD2 3.71Å; L335-C396 HydrophobicContact CD1-CB 4.16Å; L335-C396 HydrophobicContact CD2-CB 3.93Å; L335-E397 VanDerWaalsContact CB-OE2 3.23Å; L335-E397 WeakPolarHBondContact CB-OE2 3.43Å; L335-E397 PolarHBondContact N-OE2 3.2Å; L335-L400 HydrophobicContact CB-CD1 4.04Å; L335-L400 HydrophobicContact CD1-CD1 4.16Å; L335-I406 HydrophobicContact CD1-CD1 3.56Å
336	S	94.7	Very high	96.5	Very high	33 Å²	33	44.6 Å²	44.6	23%	0.231	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-62.1	-20.5	178.2	59.4	0	0	0	0	115	L332 K334 F367	L332-S336 WeakPolarHBondContact O-CB 3.42Å; L332-S336 PolarHBondContact O-N 3.47Å; L332-S336 VanDerWaalsContact O-N 3.09Å; L332-S336 PolarHBondContact O-OG 3.42Å; K334-S336 VanDerWaalsContact C-N 3.28Å; K334-S336 PolarHBondContact O-N 2.73Å; S336-F367 VanDerWaalsContact CB-CZ 3.4Å
337	K	95.7	Very high	96.4	Very high	169 Å²	169	45.1 Å²	45.1	74%	0.735	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-96.3	-10.4	177.3	-60.1	175.4	-175	174.3	0	112.5	P333 K334 L335	P333-K337 WeakPolarHBondContact O-CE 3.42Å; K334-K337 PolarHBondContact O-N 3.36Å; K334-K337 VanDerWaalsContact O-N 3.12Å; L335-K337 PolarHBondContact O-N 3.36Å; L335-K337 VanDerWaalsContact O-N 3.13Å
338	D	97.4	Very high	96.3	Very high	24 Å²	24	46.1 Å²	46.1	13%	0.128	24%	0.243	C	C	.	.	S	Bend	trans	-76.1	129.8	179.6	-167.8	-63.2	0	0	0	110	K334 L335 R340 F341	K334-D338 PolarHBondContact O-N 3.34Å; L335-D338 HydrophobicContact CD1-CB 4.37Å; L335-D338 WeakPolarHBondContact O-CB 3.31Å; L335-D338 PolarHBondContact O-N 2.82Å; D338-R340 PolarHBondContact O-N 3.42Å; D338-R340 WeakPolarHBondContact OD1-CB 3.03Å; D338-R340 VanDerWaalsContact OD1-CG 3.31Å; D338-R340 WeakPolarHBondContact OD1-CG 3.29Å; D338-R340 IonicContact OD1-CZ 3.25Å; D338-R340 PolarHBondContact OD1-N 3.22Å; D338-R340 IonicContact OD1-NE 3.72Å; D338-R340 PolarHBondContact OD1-NE 3.4Å; D338-R340 IonicContact OD1-NH2 3.03Å; D338-R340 IonicContact OD2-CZ 3.79Å; D338-R340 IonicContact OD2-NE 3.73Å; D338-R340 PolarHBondContact OD2-NE 2.68Å; D338-R340 IonicContact OD2-NH2 2.78Å; D338-R340 PolarHBondContact OD2-NH2 2.92Å; D338-F341 WeakPolarHBondContact O-CB 3.45Å; D338-F341 PolarHBondContact O-N 2.84Å
339	P	97.2	Very high	96.1	Very high	125 Å²	125	47.5 Å²	47.5	81%	0.812	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.4	-178.8	25.8	-35.7	0	0	0	113.4	F341	P339-F341 VanDerWaalsContact C-N 3.33Å
340	R	97.7	Very high	96	Very high	63 Å²	63	45.1 Å²	45.1	24%	0.238	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.4	179.4	-59.3	170.3	-75.4	-163.9	-7.2	113	D338 A342 K343 I344 D405 I406 I408	D338-R340 PolarHBondContact O-N 3.42Å; D338-R340 WeakPolarHBondContact OD1-CB 3.03Å; D338-R340 VanDerWaalsContact OD1-CG 3.31Å; D338-R340 WeakPolarHBondContact OD1-CG 3.29Å; D338-R340 IonicContact OD1-CZ 3.25Å; D338-R340 PolarHBondContact OD1-N 3.22Å; D338-R340 IonicContact OD1-NE 3.72Å; D338-R340 PolarHBondContact OD1-NE 3.4Å; D338-R340 IonicContact OD1-NH2 3.03Å; D338-R340 IonicContact OD2-CZ 3.79Å; D338-R340 IonicContact OD2-NE 3.73Å; D338-R340 PolarHBondContact OD2-NE 2.68Å; D338-R340 IonicContact OD2-NH2 2.78Å; D338-R340 PolarHBondContact OD2-NH2 2.92Å; R340-A342 VanDerWaalsContact C-N 3.35Å; R340-A342 PolarHBondContact O-N 3.13Å; R340-K343 PolarHBondContact O-N 3.35Å; R340-I344 HydrophobicContact CB-CD1 4.12Å; R340-I344 WeakPolarHBondContact O-CG1 3.24Å; R340-I344 PolarHBondContact O-N 3.45Å; R340-D405 IonicContact CZ-OD1 3.64Å; R340-D405 IonicContact NH1-OD1 2.8Å; R340-D405 PolarHBondContact NH1-OD1 2.72Å; R340-D405 IonicContact NH1-OD2 3.33Å; R340-D405 IonicContact NH2-OD1 2.88Å; R340-D405 PolarHBondContact NH2-OD1 2.9Å; R340-I406 VanDerWaalsContact CZ-CG1 3.44Å; R340-I406 PolarHBondContact NH1-O 3.17Å; R340-I406 VanDerWaalsContact NH2-CG1 3.34Å; R340-I408 HydrophobicContact CB-CD1 4.22Å; R340-I408 HydrophobicContact CB-CG1 4.1Å; R340-I408 HydrophobicContact CG-CD1 4.13Å; R340-I408 HydrophobicContact CG-CG1 4.27Å
341	F	96.7	Very high	95.8	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.035	24%	0.242	C	C	.	.	H	α-helix	trans	-56.6	-44.5	-171.9	-177.7	-145.6	0	0	0	113.4	L332 L335 D338 P339 K343 I344 L345 K352 I369 L393	L332-F341 HydrophobicContact CD1-CE2 4.36Å; L332-F341 HydrophobicContact CD1-CZ 4.23Å; L335-F341 HydrophobicContact CD1-CD2 4.34Å; L335-F341 HydrophobicContact CD2-CD2 4.06Å; L335-F341 HydrophobicContact CD2-CE2 4.14Å; L335-F341 HydrophobicContact CG-CD2 3.78Å; L335-F341 HydrophobicContact CG-CE2 4.2Å; L335-F341 HydrophobicContact CG-CG 4.3Å; L335-F341 WeakPolarHBondContact O-CB 3.5Å; D338-F341 WeakPolarHBondContact O-CB 3.45Å; D338-F341 PolarHBondContact O-N 2.84Å; P339-F341 VanDerWaalsContact C-N 3.33Å; F341-K343 VanDerWaalsContact C-N 3.3Å; F341-K343 PolarHBondContact O-N 2.9Å; F341-I344 PolarHBondContact O-N 3.16Å; F341-L345 HydrophobicContact CD1-CD1 4.5Å; F341-L345 HydrophobicContact CD2-CD1 4.1Å; F341-L345 HydrophobicContact CD2-CG 4Å; F341-L345 HydrophobicContact CE1-CD1 4.14Å; F341-L345 HydrophobicContact CE2-CD1 3.7Å; F341-L345 HydrophobicContact CE2-CD2 3.87Å; F341-L345 HydrophobicContact CE2-CG 3.69Å; F341-L345 HydrophobicContact CG-CD1 4.49Å; F341-L345 HydrophobicContact CZ-CD1 3.73Å; F341-L345 HydrophobicContact CZ-CD2 4.37Å; F341-L345 HydrophobicContact CZ-CG 4.23Å; F341-L345 WeakPolarHBondContact O-CG 3.37Å; F341-L345 PolarHBondContact O-N 3.47Å; F341-K352 HydrophobicContact CD1-CD 4.41Å; F341-K352 HydrophobicContact CE1-CD 3.78Å; F341-K352 HydrophobicContact CZ-CD 4.35Å; F341-I369 HydrophobicContact CZ-CD1 4.34Å; F341-L393 HydrophobicContact CE2-CD2 4.11Å
342	A	94.4	Very high	95.5	Very high	69 Å²	69	48.9 Å²	48.9	57%	0.57	25%	0.251	S	S	*	.	H	α-helix	trans	-60.2	-40.6	178	0	0	0	0	0	112.1	R340 L345 D346	R340-A342 VanDerWaalsContact C-N 3.35Å; R340-A342 PolarHBondContact O-N 3.13Å; A342-L345 PolarHBondContact O-N 3.29Å; A342-D346 WeakPolarHBondContact O-CB 3.27Å; A342-D346 PolarHBondContact O-N 3Å; A342-D346 VanDerWaalsContact O-N 3.08Å
343	K	96	Very high	95	Very high	95 Å²	95	50.9 Å²	50.9	41%	0.413	26%	0.259	S	S	.	.	H	α-helix	trans	-74.6	-32.8	179.9	-169.8	60.2	-174.4	162.3	0	112.7	R340 F341 D346 N347 I408	R340-K343 PolarHBondContact O-N 3.35Å; F341-K343 VanDerWaalsContact C-N 3.3Å; F341-K343 PolarHBondContact O-N 2.9Å; K343-D346 IonicContact NZ-OD2 2.67Å; K343-D346 PolarHBondContact NZ-OD2 2.86Å; K343-N347 WeakPolarHBondContact CE-OD1 3.21Å; K343-N347 PolarHBondContact NZ-OD1 3.19Å; K343-N347 VanDerWaalsContact NZ-OD1 3.16Å; K343-N347 WeakPolarHBondContact O-CB 3.27Å; K343-N347 PolarHBondContact O-N 2.89Å; K343-I408 HydrophobicContact CB-CD1 4.33Å; K343-I408 HydrophobicContact CG-CD1 4.18Å; K343-I408 HydrophobicContact CG-CG2 3.95Å
344	I	97.8	Very high	94.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-49.2	172.1	-68.4	165.9	0	0	0	109.9	L335 R340 F341 D346 N347 L348 Y392 L393 I406 I408 P409	L335-I344 HydrophobicContact CD1-CD1 4.1Å; R340-I344 HydrophobicContact CB-CD1 4.12Å; R340-I344 WeakPolarHBondContact O-CG1 3.24Å; R340-I344 PolarHBondContact O-N 3.45Å; F341-I344 PolarHBondContact O-N 3.16Å; I344-D346 PolarHBondContact O-N 3.42Å; I344-N347 PolarHBondContact O-N 3.01Å; I344-L348 HydrophobicContact CG2-CD1 3.69Å; I344-L348 HydrophobicContact CG2-CG 4.41Å; I344-L348 WeakPolarHBondContact O-CB 3.42Å; I344-L348 VanDerWaalsContact O-CG 3.26Å; I344-L348 WeakPolarHBondContact O-CG 3.34Å; I344-L348 PolarHBondContact O-N 3.01Å; I344-Y392 HydrophobicContact CG2-CD1 4.14Å; I344-Y392 HydrophobicContact CG2-CE1 4.01Å; I344-L393 HydrophobicContact CG2-CD2 3.72Å; I344-I406 HydrophobicContact CD1-CD1 3.93Å; I344-I408 HydrophobicContact CG1-CG1 4.34Å; I344-P409 HydrophobicContact CG2-CG 4.35Å
345	L	95.8	Very high	93	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-46	177.9	-70.5	174	0	0	0	112.4	F341 A342 N347 L348 R349 L350 K352 I369 L393	F341-L345 HydrophobicContact CD1-CD1 4.5Å; F341-L345 HydrophobicContact CD2-CD1 4.1Å; F341-L345 HydrophobicContact CD2-CG 4Å; F341-L345 HydrophobicContact CE1-CD1 4.14Å; F341-L345 HydrophobicContact CE2-CD1 3.7Å; F341-L345 HydrophobicContact CE2-CD2 3.87Å; F341-L345 HydrophobicContact CE2-CG 3.69Å; F341-L345 HydrophobicContact CG-CD1 4.49Å; F341-L345 HydrophobicContact CZ-CD1 3.73Å; F341-L345 HydrophobicContact CZ-CD2 4.37Å; F341-L345 HydrophobicContact CZ-CG 4.23Å; F341-L345 WeakPolarHBondContact O-CG 3.37Å; F341-L345 PolarHBondContact O-N 3.47Å; A342-L345 PolarHBondContact O-N 3.29Å; L345-N347 PolarHBondContact O-N 3.48Å; L345-L348 CarbonylContact O-C 3.5Å; L345-L348 PolarHBondContact O-N 3.33Å; L345-R349 PolarHBondContact O-N 3.21Å; L345-L350 HydrophobicContact CD2-CB 3.8Å; L345-L350 HydrophobicContact CD2-CD1 4.34Å; L345-L350 PolarHBondContact O-N 3.42Å; L345-K352 HydrophobicContact CD1-CB 3.92Å; L345-K352 HydrophobicContact CD1-CD 3.76Å; L345-K352 HydrophobicContact CD1-CG 3.98Å; L345-I369 HydrophobicContact CD2-CD1 4.13Å; L345-I369 HydrophobicContact CD2-CG2 4.43Å; L345-L393 HydrophobicContact CD2-CD1 3.98Å; L345-L393 HydrophobicContact CD2-CD2 4.33Å
346	D	93.1	Very high	91.5	Very high	68 Å²	68	48.5 Å²	48.5	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-57.3	-49	177.4	177.6	51.6	0	0	0	111.8	A342 K343 I344 L348 R349	A342-D346 WeakPolarHBondContact O-CB 3.27Å; A342-D346 PolarHBondContact O-N 3Å; A342-D346 VanDerWaalsContact O-N 3.08Å; K343-D346 IonicContact NZ-OD2 2.67Å; K343-D346 PolarHBondContact NZ-OD2 2.86Å; I344-D346 PolarHBondContact O-N 3.42Å; D346-L348 VanDerWaalsContact C-N 3.31Å; D346-L348 PolarHBondContact O-N 3.38Å; D346-R349 PolarHBondContact O-N 3.37Å; D346-R349 VanDerWaalsContact O-N 3.11Å; D346-R349 IonicContact OD1-NH1 3.66Å
347	N	95.4	Very high	90.2	Very high	11 Å²	11	47.7 Å²	47.7	6%	0.059	26%	0.263	C	S	.	.	H	α-helix	trans	-67.4	-30.9	180	-76	9.1	0	0	0	112.8	K343 I344 L345 R349 I408 P409 F412	K343-N347 WeakPolarHBondContact CE-OD1 3.21Å; K343-N347 PolarHBondContact NZ-OD1 3.19Å; K343-N347 VanDerWaalsContact NZ-OD1 3.16Å; K343-N347 WeakPolarHBondContact O-CB 3.27Å; K343-N347 PolarHBondContact O-N 2.89Å; I344-N347 PolarHBondContact O-N 3.01Å; L345-N347 PolarHBondContact O-N 3.48Å; N347-R349 VanDerWaalsContact C-N 3.3Å; N347-I408 WeakPolarHBondContact ND2-CG2 3.28Å; N347-P409 HydrophobicContact CB-CG 4.33Å; N347-P409 PolarHBondContact ND2-O 3.23Å; N347-F412 WeakPolarHBondContact O-CB 3.21Å; N347-F412 PolarHBondContact O-N 2.72Å
348	L	95.8	Very high	88.6	Confident	26 Å²	26	41.7 Å²	41.7	14%	0.136	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-0.7	175	-66.5	174.2	0	0	0	113.7	I344 L345 D346 L350 Y392 L393 P409	I344-L348 HydrophobicContact CG2-CD1 3.69Å; I344-L348 HydrophobicContact CG2-CG 4.41Å; I344-L348 WeakPolarHBondContact O-CB 3.42Å; I344-L348 VanDerWaalsContact O-CG 3.26Å; I344-L348 WeakPolarHBondContact O-CG 3.34Å; I344-L348 PolarHBondContact O-N 3.01Å; L345-L348 CarbonylContact O-C 3.5Å; L345-L348 PolarHBondContact O-N 3.33Å; D346-L348 VanDerWaalsContact C-N 3.31Å; D346-L348 PolarHBondContact O-N 3.38Å; L348-L350 VanDerWaalsContact C-N 3.26Å; L348-L350 HydrophobicContact CB-CD1 4.09Å; L348-L350 HydrophobicContact CB-CG 4.01Å; L348-L350 HydrophobicContact CD1-CD1 4.33Å; L348-L350 PolarHBondContact O-N 3Å; L348-Y392 HydrophobicContact CD1-CD1 3.86Å; L348-Y392 HydrophobicContact CD1-CG 4.35Å; L348-L393 HydrophobicContact CD1-CD2 4.21Å; L348-L393 HydrophobicContact CD1-CG 4.47Å; L348-P409 HydrophobicContact CD1-CG 4.4Å; L348-P409 HydrophobicContact CD2-CB 4.24Å; L348-P409 HydrophobicContact CD2-CG 3.83Å; L348-P409 HydrophobicContact CG-CG 3.85Å
349	R	93.3	Very high	86.8	Confident	32 Å²	32	44.6 Å²	44.6	12%	0.121	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	38	-175.3	-52.5	-58.1	-58.3	157.8	-2.2	113.2	N131 L345 D346 N347 L372 D373 T385 F412	N131-R349 PolarHBondContact ND2-NH2 2.83Å; L345-R349 PolarHBondContact O-N 3.21Å; D346-R349 PolarHBondContact O-N 3.37Å; D346-R349 VanDerWaalsContact O-N 3.11Å; D346-R349 IonicContact OD1-NH1 3.66Å; N347-R349 VanDerWaalsContact C-N 3.3Å; R349-L372 VanDerWaalsContact O-CB 3.26Å; R349-L372 WeakPolarHBondContact O-CB 3.17Å; R349-L372 PolarHBondContact O-N 2.82Å; R349-D373 IonicContact CZ-OD1 3.35Å; R349-D373 IonicContact CZ-OD2 3.8Å; R349-D373 IonicContact NE-OD1 3.19Å; R349-D373 IonicContact NE-OD2 2.86Å; R349-D373 PolarHBondContact NE-OD2 3.1Å; R349-D373 IonicContact NH2-OD1 2.72Å; R349-D373 PolarHBondContact NH2-OD1 3Å; R349-D373 IonicContact NH2-OD2 3.92Å; R349-D373 PolarHBondContact NH2-OD2 3.18Å; R349-T385 HydrophobicContact CB-CG2 4.49Å; R349-F412 HydrophobicContact CG-CB 3.57Å; R349-F412 HydrophobicContact CG-CD1 4.23Å; R349-F412 HydrophobicContact CG-CG 3.91Å
350	L	94.6	Very high	85.1	Confident	5 Å²	5	41.2 Å²	41.2	3%	0.026	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	152.2	175.8	-61.1	179.1	0	0	0	111	L345 L348 I369 S370 V386 L393	L345-L350 HydrophobicContact CD2-CB 3.8Å; L345-L350 HydrophobicContact CD2-CD1 4.34Å; L345-L350 PolarHBondContact O-N 3.42Å; L348-L350 VanDerWaalsContact C-N 3.26Å; L348-L350 HydrophobicContact CB-CD1 4.09Å; L348-L350 HydrophobicContact CB-CG 4.01Å; L348-L350 HydrophobicContact CD1-CD1 4.33Å; L348-L350 PolarHBondContact O-N 3Å; L350-I369 HydrophobicContact CB-CG2 4.16Å; L350-I369 HydrophobicContact CD1-CG2 3.81Å; L350-I369 HydrophobicContact CG-CG2 4.4Å; L350-S370 CarbonylContact C-O 3.59Å; L350-S370 WeakPolarHBondContact CA-O 3.4Å; L350-V386 HydrophobicContact CD2-CG2 4.2Å; L350-L393 HydrophobicContact CD1-CD1 4.06Å
351	Q	91.1	Very high	83.7	Confident	24 Å²	24	41.8 Å²	41.8	11%	0.112	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.8	171.4	60.5	173	35.3	0	0	110.1	I369 S370 L372	Q351-I369 WeakPolarHBondContact O-CA 3.27Å; Q351-S370 WeakPolarHBondContact CG-O 3.36Å; Q351-S370 WeakPolarHBondContact CG-OG 3.15Å; Q351-S370 PolarHBondContact N-O 3.49Å; Q351-S370 PolarHBondContact NE2-OG 2.94Å; Q351-S370 VanDerWaalsContact NE2-OG 3.08Å; Q351-S370 PolarHBondContact O-N 3.2Å; Q351-S370 VanDerWaalsContact O-N 3.09Å; Q351-L372 HydrophobicContact CB-CB 4.5Å; Q351-L372 HydrophobicContact CB-CD1 4.11Å
352	K	90.1	Very high	82.4	Confident	111 Å²	111	43.2 Å²	43.2	48%	0.483	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	141.7	173	71	-178.6	-179.9	78.1	0	111.6	F341 L345 F367 D368 I369	F341-K352 HydrophobicContact CD1-CD 4.41Å; F341-K352 HydrophobicContact CE1-CD 3.78Å; F341-K352 HydrophobicContact CZ-CD 4.35Å; L345-K352 HydrophobicContact CD1-CB 3.92Å; L345-K352 HydrophobicContact CD1-CD 3.76Å; L345-K352 HydrophobicContact CD1-CG 3.98Å; K352-F367 HydrophobicContact CD-CD1 4.48Å; K352-D368 CarbonylContact C-O 3.59Å; K352-D368 WeakPolarHBondContact CA-O 3.29Å; K352-I369 HydrophobicContact CB-CD1 3.53Å
353	R	85.6	Confident	81.5	Confident	42 Å²	42	45.1 Å²	45.1	16%	0.158	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	169.7	170.7	-61.4	-176.3	-179.7	-170.5	-7.9	110.3	D368	R353-D368 HydrophobicContact CB-CB 4.15Å; R353-D368 PolarHBondContact N-O 3.33Å; R353-D368 PolarHBondContact O-N 3.26Å
354	G	77.6	Confident	80.9	Confident	7 Å²	7	44 Å²	44	7%	0.072	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-68.4	169.6	169.7	0	0	0	0	0	112.6	G356 G357 T360 A361	G354-G356 VanDerWaalsContact C-N 3.27Å; G354-G356 PolarHBondContact O-N 2.58Å; G354-G357 PolarHBondContact O-N 2.87Å; G354-G357 VanDerWaalsContact O-N 3.11Å; G354-T360 VanDerWaalsContact CA-O 3.22Å; G354-T360 WeakPolarHBondContact CA-O 3.47Å; G354-T360 PolarHBondContact N-O 2.79Å; G354-A361 VanDerWaalsContact CA-C 3.44Å; G354-A361 WeakPolarHBondContact CA-O 3.44Å
355	T	74.8	Confident	80.3	Confident	35 Å²	35	45.4 Å²	45.4	22%	0.215	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-26.9	-169.6	-43.3	0	0	0	0	112.9	H329 A361 V363 T366	H329-T355 PolarHBondContact CE1-O 3Å; H329-T355 PolarHBondContact NE2-O 2.62Å; T355-A361 PolarHBondContact N-O 2.95Å; T355-V363 PolarHBondContact OG1-N 3.36Å; T355-T366 HydrophobicContact CG2-CG2 4.08Å; T355-T366 PolarHBondContact OG1-O 3.45Å
356	G	67.4	Low	80.1	Confident	64 Å²	64	46.1 Å²	46.1	66%	0.66	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	7.6	175.8	0	0	0	0	0	114.3	G354 T360	G354-G356 VanDerWaalsContact C-N 3.27Å; G354-G356 PolarHBondContact O-N 2.58Å; G356-T360 VanDerWaalsContact C-OG1 3.23Å; G356-T360 VanDerWaalsContact CA-OG1 3.25Å; G356-T360 WeakPolarHBondContact CA-OG1 3.25Å; G356-T360 PolarHBondContact N-OG1 2.94Å
357	G	66.1	Low	80	Confident	15 Å²	15	43.9 Å²	43.9	16%	0.155	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	110.2	-158.9	-179.4	0	0	0	0	0	114.4	G354 D359 T360	G354-G357 PolarHBondContact O-N 2.87Å; G354-G357 VanDerWaalsContact O-N 3.11Å; G357-D359 VanDerWaalsContact C-N 3.33Å; G357-D359 PolarHBondContact O-N 3.49Å; G357-T360 PolarHBondContact N-OG1 3.23Å; G357-T360 VanDerWaalsContact N-OG1 3.1Å; G357-T360 PolarHBondContact O-N 3.47Å; G357-T360 PolarHBondContact O-OG1 2.94Å
358	V	63.9	Low	79.9	Confident	44 Å²	44	43.9 Å²	43.9	27%	0.267	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-28.7	-164	66	0	0	0	0	114.6	I102	I102-V358 HydrophobicContact CD1-CG2 3.99Å
359	D	59.1	Low	80	Confident	84 Å²	84	42.6 Å²	42.6	45%	0.449	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	9.3	-176.4	-59.3	-34.7	0	0	0	112.8	H99 G357	H99-D359 IonicContact CE1-OD1 2.76Å; H99-D359 PolarHBondContact CE1-OD1 3.44Å; H99-D359 IonicContact NE2-OD1 3.2Å; H99-D359 PolarHBondContact NE2-OD1 2.96Å; G357-D359 VanDerWaalsContact C-N 3.33Å; G357-D359 PolarHBondContact O-N 3.49Å
360	T	60.3	Low	80.1	Confident	54 Å²	54	41.1 Å²	41.1	33%	0.331	27%	0.274	S	S	.	.	S	Bend	trans	-113.7	152.3	-177.6	68.6	0	0	0	0	111.7	G354 G356 G357	G354-T360 VanDerWaalsContact CA-O 3.22Å; G354-T360 WeakPolarHBondContact CA-O 3.47Å; G354-T360 PolarHBondContact N-O 2.79Å; G356-T360 VanDerWaalsContact C-OG1 3.23Å; G356-T360 VanDerWaalsContact CA-OG1 3.25Å; G356-T360 WeakPolarHBondContact CA-OG1 3.25Å; G356-T360 PolarHBondContact N-OG1 2.94Å; G357-T360 PolarHBondContact N-OG1 3.23Å; G357-T360 VanDerWaalsContact N-OG1 3.1Å; G357-T360 PolarHBondContact O-N 3.47Å; G357-T360 PolarHBondContact O-OG1 2.94Å
361	A	68.2	Low	80.2	Confident	76 Å²	76	40.9 Å²	40.9	63%	0.628	27%	0.273	S	S	*	.			trans	-76.8	160.2	167.8	0	0	0	0	0	111	G354 T355	G354-A361 VanDerWaalsContact CA-C 3.44Å; G354-A361 WeakPolarHBondContact CA-O 3.44Å; T355-A361 PolarHBondContact N-O 2.95Å
362	A	70.6	Confident	80.1	Confident	37 Å²	37	41.5 Å²	41.5	31%	0.306	28%	0.277	S	S	.	.			trans	-67.7	135.4	168.8	0	0	0	0	0	109.7	F367	A362-F367 HydrophobicContact CB-CD1 3.94Å; A362-F367 HydrophobicContact CB-CE1 3.7Å; A362-F367 HydrophobicContact CB-CZ 4.26Å
363	V	75.1	Confident	80.1	Confident	109 Å²	109	36.4 Å²	36.4	66%	0.661	26%	0.255	S	S	*	.	B	Isolated β-bridge	trans	-90.5	111.5	172.5	-178	0	0	0	0	107.8	T355 S365 T366	T355-V363 PolarHBondContact OG1-N 3.36Å; V363-S365 PolarHBondContact O-N 3.2Å; V363-T366 PolarHBondContact O-N 3.3Å
364	G	83.1	Confident	80.6	Confident	72 Å²	72	34.6 Å²	34.6	74%	0.742	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	-118.4	-175.7	0	0	0	0	0	112.1
365	S	86.6	Confident	81.5	Confident	30 Å²	30	34.5 Å²	34.5	21%	0.21	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	13.7	-176.6	-61.1	0	0	0	0	113	N331 L332 P333 V363 F367	N331-S365 WeakPolarHBondContact CA-O 3.35Å; N331-S365 WeakPolarHBondContact OD1-CB 3.42Å; N331-S365 PolarHBondContact OD1-O 3.34Å; L332-S365 PolarHBondContact N-O 3.14Å; P333-S365 WeakPolarHBondContact CA-OG 3.35Å; V363-S365 PolarHBondContact O-N 3.2Å; S365-F367 VanDerWaalsContact O-CD2 3.28Å; S365-F367 WeakPolarHBondContact O-CD2 3.47Å; S365-F367 VanDerWaalsContact O-CE2 3.3Å; S365-F367 WeakPolarHBondContact O-CE2 3.45Å
366	T	91	Very high	82.5	Confident	22 Å²	22	34.2 Å²	34.2	14%	0.135	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.1	-178.9	-59.4	0	0	0	0	111.1	L160 H329 V330 T355 V363	L160-T366 HydrophobicContact CD1-CG2 3.87Å; H329-T366 HydrophobicContact CB-CG2 4.11Å; V330-T366 WeakPolarHBondContact O-CA 3.33Å; T355-T366 HydrophobicContact CG2-CG2 4.08Å; T355-T366 PolarHBondContact OG1-O 3.45Å; V363-T366 PolarHBondContact O-N 3.3Å
367	F	91.4	Very high	83.9	Confident	22 Å²	22	32.2 Å²	32.2	10%	0.096	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.3	-179.6	-60.9	-88.5	0	0	0	111	H329 V330 L332 S336 K352 A362 S365 I369	H329-F367 WeakPolarHBondContact CA-O 3.31Å; V330-F367 PolarHBondContact N-O 3.13Å; V330-F367 PolarHBondContact O-N 3.33Å; L332-F367 HydrophobicContact CB-CD2 4.46Å; S336-F367 VanDerWaalsContact CB-CZ 3.4Å; K352-F367 HydrophobicContact CD-CD1 4.48Å; A362-F367 HydrophobicContact CB-CD1 3.94Å; A362-F367 HydrophobicContact CB-CE1 3.7Å; A362-F367 HydrophobicContact CB-CZ 4.26Å; S365-F367 VanDerWaalsContact O-CD2 3.28Å; S365-F367 WeakPolarHBondContact O-CD2 3.47Å; S365-F367 VanDerWaalsContact O-CE2 3.3Å; S365-F367 WeakPolarHBondContact O-CE2 3.45Å; F367-I369 HydrophobicContact CB-CD1 3.89Å; F367-I369 HydrophobicContact CB-CG1 4.1Å
368	D	93.1	Very high	85.4	Confident	10 Å²	10	31.8 Å²	31.8	5%	0.053	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	108.1	160.7	166.2	21.9	0	0	0	108.3	R325 V328 K352 R353	R325-D368 IonicContact CZ-OD1 3.21Å; R325-D368 IonicContact CZ-OD2 2.68Å; R325-D368 IonicContact NH1-OD1 2.64Å; R325-D368 PolarHBondContact NH1-OD1 2.94Å; R325-D368 IonicContact NH1-OD2 3.24Å; R325-D368 PolarHBondContact NH1-OD2 2.91Å; R325-D368 IonicContact NH2-OD1 2.73Å; R325-D368 IonicContact NH2-OD2 3.19Å; R325-D368 PolarHBondContact NH2-OD2 2.91Å; V328-D368 WeakPolarHBondContact O-CA 3.31Å; K352-D368 CarbonylContact C-O 3.59Å; K352-D368 WeakPolarHBondContact CA-O 3.29Å; R353-D368 HydrophobicContact CB-CB 4.15Å; R353-D368 PolarHBondContact N-O 3.33Å; R353-D368 PolarHBondContact O-N 3.26Å
369	I	96.1	Very high	87.1	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.9	177.4	-58.8	-59	0	0	0	108.9	G327 V328 V330 F341 L345 L350 Q351 K352 F367 V390 L393	G327-I369 CarbonylContact C-O 3.59Å; G327-I369 WeakPolarHBondContact CA-O 3.29Å; V328-I369 HydrophobicContact CG2-CB 4.36Å; V328-I369 PolarHBondContact N-O 3.06Å; V328-I369 PolarHBondContact O-N 3.49Å; V330-I369 HydrophobicContact CG1-CB 4.21Å; V330-I369 HydrophobicContact CG1-CG1 3.53Å; F341-I369 HydrophobicContact CZ-CD1 4.34Å; L345-I369 HydrophobicContact CD2-CD1 4.13Å; L345-I369 HydrophobicContact CD2-CG2 4.43Å; L350-I369 HydrophobicContact CB-CG2 4.16Å; L350-I369 HydrophobicContact CD1-CG2 3.81Å; L350-I369 HydrophobicContact CG-CG2 4.4Å; Q351-I369 WeakPolarHBondContact O-CA 3.27Å; K352-I369 HydrophobicContact CB-CD1 3.53Å; F367-I369 HydrophobicContact CB-CD1 3.89Å; F367-I369 HydrophobicContact CB-CG1 4.1Å; I369-V390 HydrophobicContact CG2-CG2 4.37Å; I369-L393 HydrophobicContact CG1-CD1 4.38Å; I369-L393 HydrophobicContact CG2-CD1 3.97Å
370	S	96.8	Very high	89	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	165.4	-179.4	72.1	0	0	0	0	112.7	R325 A326 L350 Q351	R325-S370 WeakPolarHBondContact CD-OG 3.26Å; R325-S370 WeakPolarHBondContact CG-OG 3.43Å; R325-S370 PolarHBondContact NH1-OG 3.23Å; A326-S370 WeakPolarHBondContact O-CA 3.08Å; A326-S370 WeakPolarHBondContact O-CB 3.45Å; L350-S370 CarbonylContact C-O 3.59Å; L350-S370 WeakPolarHBondContact CA-O 3.4Å; Q351-S370 WeakPolarHBondContact CG-O 3.36Å; Q351-S370 WeakPolarHBondContact CG-OG 3.15Å; Q351-S370 PolarHBondContact N-O 3.49Å; Q351-S370 PolarHBondContact NE2-OG 2.94Å; Q351-S370 VanDerWaalsContact NE2-OG 3.08Å; Q351-S370 PolarHBondContact O-N 3.2Å; Q351-S370 VanDerWaalsContact O-N 3.09Å
371	N	95.6	Very high	90.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	142.5	168.4	59.3	-64.1	0	0	0	111.5	L324 R325 A326 D373 V386	L324-N371 PolarHBondContact O-ND2 2.61Å; R325-N371 WeakPolarHBondContact CA-OD1 3.38Å; A326-N371 PolarHBondContact N-OD1 3.3Å; A326-N371 PolarHBondContact O-N 3.3Å; A326-N371 PolarHBondContact O-OD1 2.8Å; A326-N371 VanDerWaalsContact O-OD1 3.09Å; N371-D373 PolarHBondContact ND2-O 3.05Å; N371-V386 HydrophobicContact CB-CG2 3.7Å
372	L	89.8	Confident	92.1	Very high	36 Å²	36	24.8 Å²	24.8	19%	0.188	16%	0.164	C	C	.	.	S	Bend	trans	-86.3	-42.7	176.4	177.3	59.9	0	0	0	112	R349 Q351	R349-L372 VanDerWaalsContact O-CB 3.26Å; R349-L372 WeakPolarHBondContact O-CB 3.17Å; R349-L372 PolarHBondContact O-N 2.82Å; Q351-L372 HydrophobicContact CB-CB 4.5Å; Q351-L372 HydrophobicContact CB-CD1 4.11Å
373	D	90.9	Very high	93.5	Very high	5 Å²	5	23 Å²	23	3%	0.027	15%	0.149	C	C	.	.			trans	-84.9	149.8	-175.9	-61.6	-44.8	0	0	0	111.6	R349 N371 L382	R349-D373 IonicContact CZ-OD1 3.35Å; R349-D373 IonicContact CZ-OD2 3.8Å; R349-D373 IonicContact NE-OD1 3.19Å; R349-D373 IonicContact NE-OD2 2.86Å; R349-D373 PolarHBondContact NE-OD2 3.1Å; R349-D373 IonicContact NH2-OD1 2.72Å; R349-D373 PolarHBondContact NH2-OD1 3Å; R349-D373 IonicContact NH2-OD2 3.92Å; R349-D373 PolarHBondContact NH2-OD2 3.18Å; N371-D373 PolarHBondContact ND2-O 3.05Å; D373-L382 HydrophobicContact CB-CD2 4.23Å; D373-L382 WeakPolarHBondContact O-CD2 3.31Å
374	R	95.6	Very high	94.6	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.015	13%	0.125	C	C	.	.			trans	-136	-20.4	178.1	-54.4	-168.9	-173.7	72	22.4	114.5	S318 L320 T322	S318-R374 VanDerWaalsContact O-CD 3.3Å; S318-R374 WeakPolarHBondContact O-CD 3.45Å; S318-R374 PolarHBondContact O-NH1 2.75Å; L320-R374 CarbonylContact O-C 3.51Å; T322-R374 PolarHBondContact N-O 2.95Å; T322-R374 PolarHBondContact OG1-O 3.01Å
375	L	96.6	Very high	95.2	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.021	9%	0.093	C	C	.	.	S	Bend	trans	-118.9	143.7	-178.1	-174.2	64.5	0	0	0	110	I126 H130 Y133 H140 L320	I126-L375 HydrophobicContact CG2-CD2 3.58Å; H130-L375 HydrophobicContact CB-CB 4.19Å; Y133-L375 HydrophobicContact CD1-CD1 4.41Å; Y133-L375 HydrophobicContact CD1-CD2 3.23Å; Y133-L375 HydrophobicContact CD1-CG 3.51Å; Y133-L375 HydrophobicContact CD2-CG 4.16Å; Y133-L375 HydrophobicContact CE1-CD1 3.96Å; Y133-L375 HydrophobicContact CE1-CD2 3.43Å; Y133-L375 VanDerWaalsContact CE1-CD2 3.43Å; Y133-L375 HydrophobicContact CE1-CG 3.55Å; Y133-L375 HydrophobicContact CE2-CG 4.19Å; Y133-L375 HydrophobicContact CG-CD2 3.95Å; Y133-L375 HydrophobicContact CG-CG 3.81Å; H140-L375 HydrophobicContact CB-CD1 3.99Å; L320-L375 HydrophobicContact CB-CD1 4.49Å; L320-L375 HydrophobicContact CB-CD2 4.24Å
376	G	96.3	Very high	95.8	Very high	30 Å²	30	15 Å²	15	31%	0.309	8%	0.083	S	C	.	.	S	Bend	trans	83.3	-2.3	-176.3	0	0	0	0	0	116.5	Y133 H140	Y133-G376 VanDerWaalsContact CD2-CA 3.42Å; H140-G376 PolarHBondContact ND1-N 3.11Å
377	Q	96	Very high	96.1	Very high	22 Å²	22	14 Å²	14	10%	0.103	8%	0.077	C	C	.	.	S	Bend	trans	-133.4	144.6	170.1	-66.7	-176	29.7	0	0	109.3	H140 T322 Q381 L382	H140-Q377 PolarHBondContact CE1-O 3.47Å; H140-Q377 VanDerWaalsContact CE1-O 3.32Å; T322-Q377 VanDerWaalsContact CG2-O 3.24Å; T322-Q377 WeakPolarHBondContact CG2-O 3.47Å; Q377-Q381 HydrophobicContact CB-CB 4.16Å; Q377-L382 HydrophobicContact CB-CD2 3.88Å; Q377-L382 HydrophobicContact CB-CG 4.02Å
378	S	98.1	Very high	96.4	Very high	5 Å²	5	17.2 Å²	17.2	4%	0.035	10%	0.095	C	C	.	.			trans	-73.4	166.3	179.3	73.6	0	0	0	0	112.7	P141 V380 Q381 L382	P141-S378 WeakPolarHBondContact O-CA 3.45Å; S378-V380 VanDerWaalsContact C-N 3.33Å; S378-V380 PolarHBondContact O-N 2.86Å; S378-Q381 PolarHBondContact O-N 2.78Å; S378-Q381 VanDerWaalsContact O-N 3.14Å; S378-Q381 WeakPolarHBondContact OG-CG 3.25Å; S378-Q381 PolarHBondContact OG-N 3.31Å; S378-Q381 PolarHBondContact OG-OE1 2.96Å; S378-L382 WeakPolarHBondContact O-CG 3.27Å; S378-L382 PolarHBondContact O-N 2.82Å
379	E	98.6	Very high	96.7	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-57.3	-45.6	178.9	-66.2	84.6	169.9	0	0	111.9	D143 L144 F283 T322 L324 Q381 L382 V383	D143-E379 PolarHBondContact N-OE2 3.32Å; D143-E379 WeakPolarHBondContact O-CB 3.34Å; L144-E379 HydrophobicContact CD2-CB 3.95Å; L144-E379 HydrophobicContact CD2-CG 3.66Å; L144-E379 HydrophobicContact CG-CG 4.47Å; F283-E379 HydrophobicContact CE2-CB 4.25Å; F283-E379 HydrophobicContact CZ-CB 4.09Å; T322-E379 HydrophobicContact CG2-CG 3.78Å; L324-E379 HydrophobicContact CD1-CB 3.69Å; L324-E379 HydrophobicContact CD1-CG 3.7Å; E379-Q381 PolarHBondContact O-N 3.27Å; E379-L382 PolarHBondContact O-N 2.85Å; E379-V383 VanDerWaalsContact O-CG2 3.29Å; E379-V383 WeakPolarHBondContact O-CG2 3.36Å; E379-V383 PolarHBondContact O-N 3.16Å
380	V	98.4	Very high	96.8	Very high	13 Å²	13	16.8 Å²	16.8	8%	0.079	9%	0.093	C	C	.	.	H	α-helix	trans	-57.6	-46.6	174.7	167.7	0	0	0	0	111.6	D143 D145 K148 F283 S378 L382 V383 Q384	D143-V380 HydrophobicContact CB-CG2 4.39Å; D143-V380 VanDerWaalsContact O-CG2 3.31Å; D143-V380 WeakPolarHBondContact O-CG2 3.21Å; D143-V380 PolarHBondContact O-N 2.67Å; D145-V380 WeakPolarHBondContact O-CG2 3.36Å; K148-V380 HydrophobicContact CB-CG1 3.79Å; K148-V380 HydrophobicContact CB-CG2 4.36Å; F283-V380 HydrophobicContact CE1-CG2 3.91Å; F283-V380 HydrophobicContact CZ-CG2 4.12Å; S378-V380 VanDerWaalsContact C-N 3.33Å; S378-V380 PolarHBondContact O-N 2.86Å; V380-L382 PolarHBondContact O-N 3.22Å; V380-V383 PolarHBondContact O-N 3.01Å; V380-Q384 WeakPolarHBondContact O-CB 3.33Å; V380-Q384 PolarHBondContact O-N 2.87Å
381	Q	97.6	Very high	96.8	Very high	95 Å²	95	19.6 Å²	19.6	44%	0.444	11%	0.108	S	C	.	.	H	α-helix	trans	-63.3	-41.9	-179.7	-71.3	174.6	-42.2	0	0	111.8	Q377 S378 E379 Q384 T385	Q377-Q381 HydrophobicContact CB-CB 4.16Å; S378-Q381 PolarHBondContact O-N 2.78Å; S378-Q381 VanDerWaalsContact O-N 3.14Å; S378-Q381 WeakPolarHBondContact OG-CG 3.25Å; S378-Q381 PolarHBondContact OG-N 3.31Å; S378-Q381 PolarHBondContact OG-OE1 2.96Å; E379-Q381 PolarHBondContact O-N 3.27Å; Q381-Q384 PolarHBondContact O-N 3.25Å; Q381-T385 WeakPolarHBondContact O-CB 3.32Å; Q381-T385 PolarHBondContact O-N 3.4Å; Q381-T385 PolarHBondContact O-OG1 2.94Å
382	L	97.8	Very high	97	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-66.3	-42.6	178.1	-69.2	176.8	0	0	0	111.8	T322 L324 D373 Q377 S378 E379 V380 T385 V386	T322-L382 HydrophobicContact CG2-CD1 3.77Å; T322-L382 VanDerWaalsContact OG1-CD1 3.24Å; T322-L382 WeakPolarHBondContact OG1-CD1 3.5Å; L324-L382 HydrophobicContact CB-CD1 4.38Å; L324-L382 HydrophobicContact CD2-CB 4.07Å; L324-L382 HydrophobicContact CD2-CD1 4.44Å; D373-L382 HydrophobicContact CB-CD2 4.23Å; D373-L382 WeakPolarHBondContact O-CD2 3.31Å; Q377-L382 HydrophobicContact CB-CD2 3.88Å; Q377-L382 HydrophobicContact CB-CG 4.02Å; S378-L382 WeakPolarHBondContact O-CG 3.27Å; S378-L382 PolarHBondContact O-N 2.82Å; E379-L382 PolarHBondContact O-N 2.85Å; V380-L382 PolarHBondContact O-N 3.22Å; L382-T385 WeakPolarHBondContact O-CB 3.3Å; L382-T385 PolarHBondContact O-N 2.85Å; L382-V386 WeakPolarHBondContact O-CG2 3.27Å; L382-V386 PolarHBondContact O-N 2.99Å; L382-V386 VanDerWaalsContact O-N 3.12Å
383	V	98.4	Very high	97.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-68.2	-39.2	177.4	179.9	0	0	0	0	110.9	L149 M279 F283 L324 A326 E379 V380 T385 V386 V387	L149-V383 HydrophobicContact CD1-CB 4.18Å; L149-V383 HydrophobicContact CD1-CG1 3.73Å; L149-V383 HydrophobicContact CD2-CG1 3.73Å; L149-V383 HydrophobicContact CG-CG1 4.4Å; M279-V383 HydrophobicContact CG-CG1 3.96Å; M279-V383 HydrophobicContact SD-CG1 4.39Å; F283-V383 HydrophobicContact CB-CG1 4.33Å; F283-V383 HydrophobicContact CD1-CB 4.48Å; F283-V383 HydrophobicContact CD1-CG1 4.25Å; F283-V383 HydrophobicContact CD1-CG2 4.46Å; F283-V383 HydrophobicContact CD2-CG1 4.48Å; F283-V383 HydrophobicContact CD2-CG2 3.69Å; F283-V383 HydrophobicContact CE1-CB 4.47Å; F283-V383 HydrophobicContact CE1-CG2 4.4Å; F283-V383 HydrophobicContact CE2-CG2 3.62Å; F283-V383 HydrophobicContact CG-CB 4.48Å; F283-V383 HydrophobicContact CG-CG1 4.11Å; F283-V383 HydrophobicContact CG-CG2 4.12Å; F283-V383 HydrophobicContact CZ-CB 4.48Å; F283-V383 HydrophobicContact CZ-CG2 3.99Å; L324-V383 HydrophobicContact CD1-CG2 4.12Å; L324-V383 HydrophobicContact CD2-CG2 4.07Å; A326-V383 HydrophobicContact CB-CG2 3.87Å; E379-V383 VanDerWaalsContact O-CG2 3.29Å; E379-V383 WeakPolarHBondContact O-CG2 3.36Å; E379-V383 PolarHBondContact O-N 3.16Å; V380-V383 PolarHBondContact O-N 3.01Å; V383-T385 VanDerWaalsContact C-N 3.33Å; V383-T385 PolarHBondContact O-N 3.4Å; V383-V386 PolarHBondContact O-N 3.39Å; V383-V387 HydrophobicContact CG1-CG2 4.5Å; V383-V387 WeakPolarHBondContact O-CG2 3.38Å; V383-V387 PolarHBondContact O-N 2.91Å
384	Q	98.2	Very high	97.7	Very high	31 Å²	31	20.6 Å²	20.6	15%	0.145	11%	0.109	C	C	.	.	H	α-helix	trans	-61.3	-42	173.9	-170.3	65.7	64.4	0	0	111.4	L149 T150 V380 Q381 V386 V387 D388	L149-Q384 HydrophobicContact CD1-CB 4.16Å; T150-Q384 PolarHBondContact O-NE2 3.03Å; T150-Q384 PolarHBondContact O-OE1 3.18Å; T150-Q384 PolarHBondContact OG1-OE1 3.43Å; V380-Q384 WeakPolarHBondContact O-CB 3.33Å; V380-Q384 PolarHBondContact O-N 2.87Å; Q381-Q384 PolarHBondContact O-N 3.25Å; Q384-V386 VanDerWaalsContact C-N 3.27Å; Q384-V386 PolarHBondContact O-N 3.16Å; Q384-V387 PolarHBondContact O-N 2.88Å; Q384-V387 VanDerWaalsContact O-N 3.09Å; Q384-D388 PolarHBondContact NE2-OD1 3.44Å; Q384-D388 VanDerWaalsContact O-CG 3.31Å; Q384-D388 PolarHBondContact O-N 2.76Å
385	T	96.9	Very high	97.9	Very high	13 Å²	13	23.4 Å²	23.4	8%	0.08	13%	0.125	C	C	.	.	H	α-helix	trans	-56.5	-42	174.3	-60.9	0	0	0	0	111.6	R349 Q381 L382 V383 G389 F412	R349-T385 HydrophobicContact CB-CG2 4.49Å; Q381-T385 WeakPolarHBondContact O-CB 3.32Å; Q381-T385 PolarHBondContact O-N 3.4Å; Q381-T385 PolarHBondContact O-OG1 2.94Å; L382-T385 WeakPolarHBondContact O-CB 3.3Å; L382-T385 PolarHBondContact O-N 2.85Å; V383-T385 VanDerWaalsContact C-N 3.33Å; V383-T385 PolarHBondContact O-N 3.4Å; T385-G389 PolarHBondContact O-N 3.03Å; T385-F412 HydrophobicContact CG2-CE2 4.38Å
386	V	98.1	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.9	-43.8	175.5	175.3	0	0	0	0	111.2	A326 L350 N371 L382 V383 Q384 D388 V390	A326-V386 HydrophobicContact CB-CG2 4.13Å; A326-V386 WeakPolarHBondContact O-CG2 3.45Å; L350-V386 HydrophobicContact CD2-CG2 4.2Å; N371-V386 HydrophobicContact CB-CG2 3.7Å; L382-V386 WeakPolarHBondContact O-CG2 3.27Å; L382-V386 PolarHBondContact O-N 2.99Å; L382-V386 VanDerWaalsContact O-N 3.12Å; V383-V386 PolarHBondContact O-N 3.39Å; Q384-V386 VanDerWaalsContact C-N 3.27Å; Q384-V386 PolarHBondContact O-N 3.16Å; V386-D388 PolarHBondContact O-N 3.01Å; V386-V390 HydrophobicContact CG1-CG2 3.97Å; V386-V390 VanDerWaalsContact O-CB 3.26Å; V386-V390 WeakPolarHBondContact O-CB 3.42Å; V386-V390 WeakPolarHBondContact O-CG2 3.49Å; V386-V390 PolarHBondContact O-N 3.1Å
387	V	98.4	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.9	-49.4	178.3	169.6	0	0	0	0	111.3	L149 F154 M279 V383 Q384 N391	L149-V387 HydrophobicContact CD1-CG2 4.21Å; F154-V387 HydrophobicContact CE1-CB 4.36Å; F154-V387 HydrophobicContact CE1-CG1 4.3Å; F154-V387 HydrophobicContact CE1-CG2 4.38Å; F154-V387 HydrophobicContact CZ-CB 4.35Å; F154-V387 HydrophobicContact CZ-CG2 3.97Å; M279-V387 HydrophobicContact CB-CG2 4.4Å; M279-V387 HydrophobicContact CG-CG2 4.03Å; V383-V387 HydrophobicContact CG1-CG2 4.5Å; V383-V387 WeakPolarHBondContact O-CG2 3.38Å; V383-V387 PolarHBondContact O-N 2.91Å; Q384-V387 PolarHBondContact O-N 2.88Å; Q384-V387 VanDerWaalsContact O-N 3.09Å; V387-N391 WeakPolarHBondContact O-CB 3.48Å; V387-N391 PolarHBondContact O-N 3.36Å; V387-N391 VanDerWaalsContact O-N 3.15Å; V387-N391 PolarHBondContact O-ND2 3.41Å
388	D	98	Very high	98.2	Very high	89 Å²	89	23.4 Å²	23.4	48%	0.476	12%	0.116	S	C	.	.	H	α-helix	trans	-68.4	-44.8	-177.9	-62.5	-15.8	0	0	0	111.1	Q384 V386 N391 Y392	Q384-D388 PolarHBondContact NE2-OD1 3.44Å; Q384-D388 VanDerWaalsContact O-CG 3.31Å; Q384-D388 PolarHBondContact O-N 2.76Å; V386-D388 PolarHBondContact O-N 3.01Å; D388-N391 PolarHBondContact O-N 2.6Å; D388-Y392 PolarHBondContact O-N 2.68Å
389	G	97.8	Very high	98.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-65.2	-44.7	-179.7	0	0	0	0	0	112.9	T385 N391 Y392 L393	T385-G389 PolarHBondContact O-N 3.03Å; G389-N391 PolarHBondContact O-N 3.28Å; G389-Y392 WeakPolarHBondContact O-CB 3.37Å; G389-Y392 PolarHBondContact O-N 3.23Å; G389-L393 WeakPolarHBondContact O-CG 3.43Å; G389-L393 PolarHBondContact O-N 3.07Å
390	V	98.3	Very high	98.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.4	-41	177.6	170	0	0	0	0	111.1	F154 V159 V328 I369 V386 Y392 L393 I394	F154-V390 HydrophobicContact CD1-CB 4.33Å; F154-V390 HydrophobicContact CD1-CG1 3.8Å; F154-V390 HydrophobicContact CD2-CG1 4.48Å; F154-V390 HydrophobicContact CE1-CB 3.75Å; F154-V390 HydrophobicContact CE1-CG1 3.71Å; F154-V390 HydrophobicContact CE2-CG1 4.38Å; F154-V390 HydrophobicContact CG-CG1 4.2Å; F154-V390 HydrophobicContact CZ-CB 3.97Å; F154-V390 HydrophobicContact CZ-CG1 4.01Å; F154-V390 HydrophobicContact CZ-CG2 4.46Å; V159-V390 HydrophobicContact CG2-CG1 4.09Å; V328-V390 HydrophobicContact CG2-CB 4.5Å; V328-V390 HydrophobicContact CG2-CG1 3.95Å; V328-V390 HydrophobicContact CG2-CG2 3.66Å; I369-V390 HydrophobicContact CG2-CG2 4.37Å; V386-V390 HydrophobicContact CG1-CG2 3.97Å; V386-V390 VanDerWaalsContact O-CB 3.26Å; V386-V390 WeakPolarHBondContact O-CB 3.42Å; V386-V390 WeakPolarHBondContact O-CG2 3.49Å; V386-V390 PolarHBondContact O-N 3.1Å; V390-Y392 VanDerWaalsContact C-N 3.29Å; V390-Y392 PolarHBondContact O-N 3.48Å; V390-L393 PolarHBondContact O-N 2.98Å; V390-I394 HydrophobicContact CG1-CD1 3.92Å; V390-I394 HydrophobicContact CG1-CG1 4.48Å; V390-I394 WeakPolarHBondContact O-CG1 3.47Å; V390-I394 PolarHBondContact O-N 2.94Å
391	N	98.3	Very high	98.2	Very high	59 Å²	59	32 Å²	32	32%	0.316	16%	0.155	S	C	.	.	H	α-helix	trans	-60.5	-39.6	174.3	-79.9	-39.2	0	0	0	112	V387 D388 G389 I394 D395	V387-N391 WeakPolarHBondContact O-CB 3.48Å; V387-N391 PolarHBondContact O-N 3.36Å; V387-N391 VanDerWaalsContact O-N 3.15Å; V387-N391 PolarHBondContact O-ND2 3.41Å; D388-N391 PolarHBondContact O-N 2.6Å; G389-N391 PolarHBondContact O-N 3.28Å; N391-I394 PolarHBondContact O-N 2.93Å; N391-D395 PolarHBondContact O-N 2.83Å
392	Y	98.4	Very high	98.2	Very high	59 Å²	59	34.8 Å²	34.8	23%	0.231	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-42.3	174.5	-171.7	-89.8	0	0	0	112.6	I344 L348 D388 G389 V390 I394 D395 C396 K407 P409	I344-Y392 HydrophobicContact CG2-CD1 4.14Å; I344-Y392 HydrophobicContact CG2-CE1 4.01Å; L348-Y392 HydrophobicContact CD1-CD1 3.86Å; L348-Y392 HydrophobicContact CD1-CG 4.35Å; D388-Y392 PolarHBondContact O-N 2.68Å; G389-Y392 WeakPolarHBondContact O-CB 3.37Å; G389-Y392 PolarHBondContact O-N 3.23Å; V390-Y392 VanDerWaalsContact C-N 3.29Å; V390-Y392 PolarHBondContact O-N 3.48Å; Y392-I394 VanDerWaalsContact C-N 3.33Å; Y392-I394 PolarHBondContact O-N 3.17Å; Y392-D395 PolarHBondContact O-N 2.83Å; Y392-C396 WeakPolarHBondContact CE1-SG 3.46Å; Y392-C396 PolarHBondContact O-N 2.89Å; Y392-C396 PolarHBondContact O-SG 3.07Å; Y392-K407 PolarHBondContact OH-O 3.5Å; Y392-P409 HydrophobicContact CD1-CG 4.37Å; Y392-P409 HydrophobicContact CE1-CB 4.24Å; Y392-P409 HydrophobicContact CE1-CG 3.81Å; Y392-P409 HydrophobicContact CE2-CB 4.27Å
393	L	98.5	Very high	98.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-41.2	176.4	-63.8	177.9	0	0	0	111.5	L332 L335 F341 I344 L345 L348 L350 I369 G389 V390 C396 E397	L332-L393 HydrophobicContact CD1-CB 4.31Å; L332-L393 HydrophobicContact CD1-CD1 4.34Å; L335-L393 HydrophobicContact CD2-CB 4.14Å; L335-L393 HydrophobicContact CD2-CD2 3.71Å; F341-L393 HydrophobicContact CE2-CD2 4.11Å; I344-L393 HydrophobicContact CG2-CD2 3.72Å; L345-L393 HydrophobicContact CD2-CD1 3.98Å; L345-L393 HydrophobicContact CD2-CD2 4.33Å; L348-L393 HydrophobicContact CD1-CD2 4.21Å; L348-L393 HydrophobicContact CD1-CG 4.47Å; L350-L393 HydrophobicContact CD1-CD1 4.06Å; I369-L393 HydrophobicContact CG1-CD1 4.38Å; I369-L393 HydrophobicContact CG2-CD1 3.97Å; G389-L393 WeakPolarHBondContact O-CG 3.43Å; G389-L393 PolarHBondContact O-N 3.07Å; V390-L393 PolarHBondContact O-N 2.98Å; L393-C396 WeakPolarHBondContact O-CB 3.29Å; L393-C396 PolarHBondContact O-N 3.03Å; L393-E397 PolarHBondContact O-N 3.15Å
394	I	98.4	Very high	98.2	Very high	4 Å²	4	43 Å²	43	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-41.6	176.1	-67.6	167.3	0	0	0	111	F154 D155 Y158 V159 V330 V390 N391 Y392 C396 E397 K398	F154-I394 HydrophobicContact CB-CD1 4.4Å; D155-I394 HydrophobicContact CB-CG2 4.26Å; Y158-I394 HydrophobicContact CD2-CG2 3.78Å; Y158-I394 HydrophobicContact CE2-CG2 4.09Å; Y158-I394 HydrophobicContact CG-CG1 4.42Å; Y158-I394 HydrophobicContact CG-CG2 4.22Å; V159-I394 HydrophobicContact CG2-CD1 3.93Å; V330-I394 HydrophobicContact CG2-CG1 4.46Å; V390-I394 HydrophobicContact CG1-CD1 3.92Å; V390-I394 HydrophobicContact CG1-CG1 4.48Å; V390-I394 WeakPolarHBondContact O-CG1 3.47Å; V390-I394 PolarHBondContact O-N 2.94Å; N391-I394 PolarHBondContact O-N 2.93Å; Y392-I394 VanDerWaalsContact C-N 3.33Å; Y392-I394 PolarHBondContact O-N 3.17Å; I394-C396 VanDerWaalsContact C-N 3.33Å; I394-C396 PolarHBondContact O-N 3.49Å; I394-E397 PolarHBondContact O-N 2.87Å; I394-K398 HydrophobicContact CG2-CD 4.01Å; I394-K398 WeakPolarHBondContact O-CB 3.3Å; I394-K398 VanDerWaalsContact O-CG 3.31Å; I394-K398 WeakPolarHBondContact O-CG 3.21Å; I394-K398 PolarHBondContact O-N 3.26Å
395	D	98.5	Very high	98.2	Very high	64 Å²	64	47 Å²	47	34%	0.342	25%	0.246	S	C	.	.	H	α-helix	trans	-61.6	-41.6	174.4	177.7	66	0	0	0	111.8	N391 Y392 K398 K399	N391-D395 PolarHBondContact O-N 2.83Å; Y392-D395 PolarHBondContact O-N 2.83Å; D395-K398 PolarHBondContact O-N 2.81Å; D395-K399 WeakPolarHBondContact O-CG 3.31Å; D395-K399 PolarHBondContact O-N 3.48Å; D395-K399 IonicContact OD1-NZ 3.44Å; D395-K399 VanDerWaalsContact OD2-CE 3.26Å; D395-K399 WeakPolarHBondContact OD2-CE 3.3Å; D395-K399 IonicContact OD2-NZ 2.74Å; D395-K399 PolarHBondContact OD2-NZ 3.33Å
396	C	98.6	Very high	98.3	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-46.1	174.5	-69.5	0	0	0	0	111.9	L335 Y392 L393 I394 K398 K399 L400 I406	L335-C396 HydrophobicContact CD1-CB 4.16Å; L335-C396 HydrophobicContact CD2-CB 3.93Å; Y392-C396 WeakPolarHBondContact CE1-SG 3.46Å; Y392-C396 PolarHBondContact O-N 2.89Å; Y392-C396 PolarHBondContact O-SG 3.07Å; L393-C396 WeakPolarHBondContact O-CB 3.29Å; L393-C396 PolarHBondContact O-N 3.03Å; I394-C396 VanDerWaalsContact C-N 3.33Å; I394-C396 PolarHBondContact O-N 3.49Å; C396-K398 PolarHBondContact O-N 3.23Å; C396-K399 PolarHBondContact O-N 2.62Å; C396-L400 WeakPolarHBondContact O-CG 3.02Å; C396-L400 PolarHBondContact O-N 2.83Å; C396-I406 HydrophobicContact CB-CB 4.44Å; C396-I406 HydrophobicContact CB-CD1 4.29Å; C396-I406 HydrophobicContact CB-CG2 3.92Å
397	E	98.6	Very high	98.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.9	-48.5	176.8	-172.8	63.4	-152.8	0	0	111	Y158 L332 P333 K334 L335 L393 I394 K399 L400 E401	Y158-E397 HydrophobicContact CD1-CB 4.46Å; Y158-E397 HydrophobicContact CD1-CG 3.93Å; Y158-E397 HydrophobicContact CE1-CB 4.2Å; Y158-E397 HydrophobicContact CE1-CG 3.57Å; L332-E397 WeakPolarHBondContact CA-OE2 3.23Å; L332-E397 HydrophobicContact CD2-CB 3.83Å; L332-E397 HydrophobicContact CD2-CG 4.15Å; P333-E397 WeakPolarHBondContact CD-OE1 3.42Å; P333-E397 VanDerWaalsContact CG-OE1 3.27Å; P333-E397 WeakPolarHBondContact CG-OE1 3.3Å; K334-E397 VanDerWaalsContact CB-OE1 3.24Å; K334-E397 WeakPolarHBondContact CB-OE1 3.33Å; K334-E397 WeakPolarHBondContact CG-OE1 3.48Å; K334-E397 PolarHBondContact N-OE1 3.4Å; K334-E397 PolarHBondContact N-OE2 2.95Å; L335-E397 VanDerWaalsContact CB-OE2 3.23Å; L335-E397 WeakPolarHBondContact CB-OE2 3.43Å; L335-E397 PolarHBondContact N-OE2 3.2Å; L393-E397 PolarHBondContact O-N 3.15Å; I394-E397 PolarHBondContact O-N 2.87Å; E397-K399 VanDerWaalsContact C-N 3.28Å; E397-K399 PolarHBondContact O-N 2.91Å; E397-L400 PolarHBondContact O-N 3.32Å; E397-L400 VanDerWaalsContact O-N 3.16Å; E397-E401 WeakPolarHBondContact O-CG 3.34Å; E397-E401 PolarHBondContact O-N 3.06Å
398	K	98.6	Very high	98.2	Very high	54 Å²	54	58 Å²	58	24%	0.235	30%	0.296	C	S	.	.	H	α-helix	trans	-58.5	-35.7	177.4	-75.8	170.1	179.2	175.1	0	113.4	D155 Y158 I394 D395 C396 K402	D155-K398 WeakPolarHBondContact OD2-CE 3.49Å; D155-K398 IonicContact OD2-NZ 3.8Å; D155-K398 PolarHBondContact OD2-NZ 2.86Å; Y158-K398 HydrophobicContact CE2-CD 4.4Å; Y158-K398 HydrophobicContact CE2-CG 4.09Å; Y158-K398 VanDerWaalsContact OH-CG 3.24Å; Y158-K398 WeakPolarHBondContact OH-CG 3.09Å; I394-K398 HydrophobicContact CG2-CD 4.01Å; I394-K398 WeakPolarHBondContact O-CB 3.3Å; I394-K398 VanDerWaalsContact O-CG 3.31Å; I394-K398 WeakPolarHBondContact O-CG 3.21Å; I394-K398 PolarHBondContact O-N 3.26Å; D395-K398 PolarHBondContact O-N 2.81Å; C396-K398 PolarHBondContact O-N 3.23Å; K398-K402 WeakPolarHBondContact O-CG 3.44Å; K398-K402 PolarHBondContact O-N 3.08Å
399	K	98.6	Very high	98.2	Very high	70 Å²	70	54.4 Å²	54.4	30%	0.304	28%	0.277	S	S	.	.	H	α-helix	trans	-69.3	-47.8	175.6	-78.6	170.6	177.4	162.8	0	111.1	D395 C396 E397 E401 K402 G403 Q404 I406	D395-K399 WeakPolarHBondContact O-CG 3.31Å; D395-K399 PolarHBondContact O-N 3.48Å; D395-K399 IonicContact OD1-NZ 3.44Å; D395-K399 VanDerWaalsContact OD2-CE 3.26Å; D395-K399 WeakPolarHBondContact OD2-CE 3.3Å; D395-K399 IonicContact OD2-NZ 2.74Å; D395-K399 PolarHBondContact OD2-NZ 3.33Å; C396-K399 PolarHBondContact O-N 2.62Å; E397-K399 VanDerWaalsContact C-N 3.28Å; E397-K399 PolarHBondContact O-N 2.91Å; K399-E401 VanDerWaalsContact C-N 3.31Å; K399-E401 PolarHBondContact O-N 2.98Å; K399-K402 CarbonylContact O-C 3.58Å; K399-K402 WeakPolarHBondContact O-CA 3.4Å; K399-K402 PolarHBondContact O-N 3.05Å; K399-G403 PolarHBondContact O-N 3.19Å; K399-Q404 HydrophobicContact CB-CB 4.04Å; K399-Q404 HydrophobicContact CG-CB 4.42Å; K399-Q404 WeakPolarHBondContact O-CB 3.37Å; K399-Q404 PolarHBondContact O-N 3.34Å; K399-I406 HydrophobicContact CB-CG2 3.86Å; K399-I406 HydrophobicContact CD-CG2 4.26Å
400	L	98.4	Very high	98.1	Very high	34 Å²	34	59.6 Å²	59.6	18%	0.178	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-35.8	178.7	-67.5	174.5	0	0	0	112.3	K334 L335 C396 E397 K402 G403 I406	K334-L400 HydrophobicContact CB-CB 3.65Å; K334-L400 HydrophobicContact CB-CD1 3.95Å; K334-L400 HydrophobicContact CB-CG 4.47Å; K334-L400 HydrophobicContact CG-CB 4.25Å; L335-L400 HydrophobicContact CB-CD1 4.04Å; L335-L400 HydrophobicContact CD1-CD1 4.16Å; C396-L400 WeakPolarHBondContact O-CG 3.02Å; C396-L400 PolarHBondContact O-N 2.83Å; E397-L400 PolarHBondContact O-N 3.32Å; E397-L400 VanDerWaalsContact O-N 3.16Å; L400-K402 PolarHBondContact O-N 2.66Å; L400-G403 PolarHBondContact O-N 3.42Å; L400-G403 VanDerWaalsContact O-N 3.07Å; L400-I406 HydrophobicContact CD1-CD1 4.08Å; L400-I406 HydrophobicContact CD2-CD1 4.47Å; L400-I406 HydrophobicContact CD2-CG1 4.36Å; L400-I406 HydrophobicContact CD2-CG2 4.14Å; L400-I406 HydrophobicContact CG-CD1 4.45Å; L400-I406 HydrophobicContact CG-CG2 3.94Å
401	E	97.9	Very high	97.7	Very high	95 Å²	95	63.5 Å²	63.5	44%	0.444	34%	0.336	S	S	.	.	H	α-helix	trans	-59	-33.3	172.1	-75.3	173.9	162.4	0	0	112.6	Y158 K334 E397 K399 G403	Y158-E401 WeakPolarHBondContact CE1-OE1 3.48Å; Y158-E401 PolarHBondContact OH-OE1 2.94Å; Y158-E401 PolarHBondContact OH-OE2 2.93Å; K334-E401 HydrophobicContact CG-CG 4.38Å; E397-E401 WeakPolarHBondContact O-CG 3.34Å; E397-E401 PolarHBondContact O-N 3.06Å; K399-E401 VanDerWaalsContact C-N 3.31Å; K399-E401 PolarHBondContact O-N 2.98Å; E401-G403 VanDerWaalsContact C-N 3.34Å
402	K	98.3	Very high	96.8	Very high	154 Å²	154	64.8 Å²	64.8	67%	0.67	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	5.2	177	-63.9	172.1	-173.2	176.5	0	113.5	K398 K399 L400 Q404	K398-K402 WeakPolarHBondContact O-CG 3.44Å; K398-K402 PolarHBondContact O-N 3.08Å; K399-K402 CarbonylContact O-C 3.58Å; K399-K402 WeakPolarHBondContact O-CA 3.4Å; K399-K402 PolarHBondContact O-N 3.05Å; L400-K402 PolarHBondContact O-N 2.66Å; K402-Q404 VanDerWaalsContact C-N 3.28Å; K402-Q404 HydrophobicContact CB-CG 4.07Å; K402-Q404 PolarHBondContact O-N 3.41Å
403	G	97.7	Very high	95.3	Very high	73 Å²	73	71 Å²	71	75%	0.753	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	23.2	-175.6	0	0	0	0	0	114.2	K399 L400 E401	K399-G403 PolarHBondContact O-N 3.19Å; L400-G403 PolarHBondContact O-N 3.42Å; L400-G403 VanDerWaalsContact O-N 3.07Å; E401-G403 VanDerWaalsContact C-N 3.34Å
404	Q	98.3	Very high	93.3	Very high	101 Å²	101	79.2 Å²	79.2	47%	0.472	40%	0.402	S	S	.	.			trans	-95.1	150.9	178.4	-60.6	178	-16.2	0	0	111	K399 K402	K399-Q404 HydrophobicContact CB-CB 4.04Å; K399-Q404 HydrophobicContact CG-CB 4.42Å; K399-Q404 WeakPolarHBondContact O-CB 3.37Å; K399-Q404 PolarHBondContact O-N 3.34Å; K402-Q404 VanDerWaalsContact C-N 3.28Å; K402-Q404 HydrophobicContact CB-CG 4.07Å; K402-Q404 PolarHBondContact O-N 3.41Å
405	D	97.9	Very high	93.1	Very high	116 Å²	116	83 Å²	83	62%	0.62	42%	0.422	S	S	*	.			trans	-76.2	153.5	177.5	-168.9	35.2	0	0	0	112.6	R340	R340-D405 IonicContact CZ-OD1 3.64Å; R340-D405 IonicContact NH1-OD1 2.8Å; R340-D405 PolarHBondContact NH1-OD1 2.72Å; R340-D405 IonicContact NH1-OD2 3.33Å; R340-D405 IonicContact NH2-OD1 2.88Å; R340-D405 PolarHBondContact NH2-OD1 2.9Å
406	I	98.4	Very high	92.8	Very high	4 Å²	4	83.9 Å²	83.9	2%	0.021	43%	0.426	C	S	.	.			trans	-118.1	158.7	178.5	61.6	168	0	0	0	110.7	L335 R340 I344 C396 K399 L400	L335-I406 HydrophobicContact CD1-CD1 3.56Å; R340-I406 VanDerWaalsContact CZ-CG1 3.44Å; R340-I406 PolarHBondContact NH1-O 3.17Å; R340-I406 VanDerWaalsContact NH2-CG1 3.34Å; I344-I406 HydrophobicContact CD1-CD1 3.93Å; C396-I406 HydrophobicContact CB-CB 4.44Å; C396-I406 HydrophobicContact CB-CD1 4.29Å; C396-I406 HydrophobicContact CB-CG2 3.92Å; K399-I406 HydrophobicContact CB-CG2 3.86Å; K399-I406 HydrophobicContact CD-CG2 4.26Å; L400-I406 HydrophobicContact CD1-CD1 4.08Å; L400-I406 HydrophobicContact CD2-CD1 4.47Å; L400-I406 HydrophobicContact CD2-CG1 4.36Å; L400-I406 HydrophobicContact CD2-CG2 4.14Å; L400-I406 HydrophobicContact CG-CD1 4.45Å; L400-I406 HydrophobicContact CG-CG2 3.94Å
407	K	97.4	Very high	92.5	Very high	164 Å²	164	88.5 Å²	88.5	71%	0.713	45%	0.449	S	S	*	.			trans	-110.9	158	178.3	-65.4	-175.2	179.9	-178.9	0	110.1	Y392	Y392-K407 PolarHBondContact OH-O 3.5Å
408	I	98	Very high	92.1	Very high	76 Å²	76	93.7 Å²	93.7	39%	0.39	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-84.8	123.5	165.7	-58.9	177.6	0	0	0	106.2	R340 K343 I344 N347	R340-I408 HydrophobicContact CB-CD1 4.22Å; R340-I408 HydrophobicContact CB-CG1 4.1Å; R340-I408 HydrophobicContact CG-CD1 4.13Å; R340-I408 HydrophobicContact CG-CG1 4.27Å; K343-I408 HydrophobicContact CB-CD1 4.33Å; K343-I408 HydrophobicContact CG-CD1 4.18Å; K343-I408 HydrophobicContact CG-CG2 3.95Å; I344-I408 HydrophobicContact CG1-CG1 4.34Å; N347-I408 WeakPolarHBondContact ND2-CG2 3.28Å
409	P	96.9	Very high	91.7	Very high	13 Å²	13	96.2 Å²	96.2	8%	0.084	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-65.7	152.5	176.4	28.3	-31.7	0	0	0	109.4	I344 N347 L348 Y392	I344-P409 HydrophobicContact CG2-CG 4.35Å; N347-P409 HydrophobicContact CB-CG 4.33Å; N347-P409 PolarHBondContact ND2-O 3.23Å; L348-P409 HydrophobicContact CD1-CG 4.4Å; L348-P409 HydrophobicContact CD2-CB 4.24Å; L348-P409 HydrophobicContact CD2-CG 3.83Å; L348-P409 HydrophobicContact CG-CG 3.85Å; Y392-P409 HydrophobicContact CD1-CG 4.37Å; Y392-P409 HydrophobicContact CE1-CB 4.24Å; Y392-P409 HydrophobicContact CE1-CG 3.81Å; Y392-P409 HydrophobicContact CE2-CB 4.27Å
410	P	95.4	Very high	91.2	Very high	109 Å²	109	97.9 Å²	97.9	71%	0.708	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-59.1	152.8	172.8	27.7	-34.6	0	0	0	110.5	F412	P410-F412 PolarHBondContact O-N 2.91Å
411	P	90.1	Very high	90.7	Very high	82 Å²	82	102.5 Å²	102.5	53%	0.532	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-56	138.2	174.1	-22.5	32.6	0	0	0	111.4	K413	P411-K413 PolarHBondContact O-N 2.85Å
412	F	79.9	Confident	90.2	Very high	86 Å²	86	103.1 Å²	103.1	38%	0.377	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-53.2	123.4	173.2	-168.6	-88.4	0	0	0	110	N347 R349 T385 P410	N347-F412 WeakPolarHBondContact O-CB 3.21Å; N347-F412 PolarHBondContact O-N 2.72Å; R349-F412 HydrophobicContact CG-CB 3.57Å; R349-F412 HydrophobicContact CG-CD1 4.23Å; R349-F412 HydrophobicContact CG-CG 3.91Å; T385-F412 HydrophobicContact CG2-CE2 4.38Å; P410-F412 PolarHBondContact O-N 2.91Å
413	K	67.3	Low	89.5	Confident	189 Å²	189	98.8 Å²	98.8	82%	0.822	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-86.1	120.1	175.3	-67.7	-174.7	178.7	-177.5	0	107.9	P411	P411-K413 PolarHBondContact O-N 2.85Å
414	K	56.7	Low	88.7	Confident	173 Å²	173	101.2 Å²	101.2	75%	0.752	50%	0.499	S	S	*	.			trans	-69	0	169.8	-78.9	-171.9	173.6	-173.5	0	110.6	H130 N131	H130-K414 PolarHBondContact O-NZ 2.99Å; N131-K414 PolarHBondContact O-NZ 2.82Å

Retrieved 414 of 414 residues in 3024.8 ms (Link to these results)

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