A0A3Q0KFL0_SCHMA Loading...

Putative beclin

AlphaFold DB , UniProt , Accession A0A3Q0KFL0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 597 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	39.9	Very low	30.3	Very low	242 Å²	242	145.9 Å²	145.9	100%	1.192	83%	0.825	S	S	*	*				0	95.5	0	-74.2	-172.1	156.2	0	0	106.9	Q3	M1-Q3 PolarHBondContact O-N 3.45Å
2	S	34.2	Very low	29.9	Very low	117 Å²	117	148.8 Å²	148.8	82%	0.818	83%	0.827	S	S	*	*			trans	-79.3	112	-168.3	-53.2	0	0	0	0	109.4	Q4	S2-Q4 PolarHBondContact O-N 3.42Å
3	Q	35.9	Very low	29.5	Very low	192 Å²	192	153.8 Å²	153.8	90%	0.897	84%	0.836	S	S	*	*			trans	-63.5	103.7	167.5	-68.7	179.3	7.2	0	0	107.5	M1 T5	M1-Q3 PolarHBondContact O-N 3.45Å; Q3-T5 PolarHBondContact O-N 3.01Å
4	Q	30.9	Very low	29.2	Very low	183 Å²	183	152.6 Å²	152.6	86%	0.855	84%	0.835	S	S	*	*			trans	-70.5	108.8	172.5	-72.8	178	-5.6	0	0	107.5	S2	S2-Q4 PolarHBondContact O-N 3.42Å
5	T	28.2	Very low	28.7	Very low	120 Å²	120	146.9 Å²	146.9	74%	0.736	83%	0.825	S	S	*	*			trans	-64.3	127.6	164.2	26	0	0	0	0	108.2	Q3 T7	Q3-T5 PolarHBondContact O-N 3.01Å; T5-T7 PolarHBondContact O-N 2.64Å
6	P	30.1	Very low	28.3	Very low	112 Å²	112	143.7 Å²	143.7	73%	0.727	82%	0.823	S	S	*	*			trans	-73	101.6	-179.9	26.9	-30.4	0	0	0	109.4	F8	P6-F8 PolarHBondContact O-N 2.85Å
7	T	25.9	Very low	28.2	Very low	121 Å²	121	142 Å²	142	74%	0.742	82%	0.822	S	S	*	*			trans	-71.4	101.6	164.8	48.1	0	0	0	0	108.7	T5 T9	T5-T7 PolarHBondContact O-N 2.64Å; T7-T9 PolarHBondContact O-N 2.74Å; T7-T9 VanDerWaalsContact O-N 3.12Å
8	F	27.1	Very low	27.9	Very low	198 Å²	198	140.1 Å²	140.1	87%	0.868	82%	0.818	S	S	*	*			trans	-74.7	96.5	166.2	-95.5	-91.1	0	0	0	109.2	P6 T10	P6-F8 PolarHBondContact O-N 2.85Å; F8-T10 PolarHBondContact O-N 3.13Å
9	T	26.1	Very low	27.8	Very low	125 Å²	125	138.3 Å²	138.3	77%	0.767	81%	0.814	S	S	*	*			trans	-69.9	114.9	170.1	-57.1	0	0	0	0	108.8	T7 G11	T7-T9 PolarHBondContact O-N 2.74Å; T7-T9 VanDerWaalsContact O-N 3.12Å; T9-G11 PolarHBondContact O-N 2.81Å; T9-G11 VanDerWaalsContact O-N 3.14Å
10	T	26.7	Very low	27.6	Very low	128 Å²	128	139 Å²	139	79%	0.785	81%	0.814	S	S	*	*			trans	-62.8	111.3	171.8	-30.7	0	0	0	0	108.4	F8 Q12	F8-T10 PolarHBondContact O-N 3.13Å; T10-Q12 PolarHBondContact O-N 3.28Å
11	G	28.1	Very low	27.6	Very low	67 Å²	67	140.1 Å²	140.1	69%	0.691	82%	0.817	S	S	*	*			trans	-55	111.5	178.5	0	0	0	0	0	110.9	T9	T9-G11 PolarHBondContact O-N 2.81Å; T9-G11 VanDerWaalsContact O-N 3.14Å
12	Q	25.9	Very low	27	Very low	180 Å²	180	133.4 Å²	133.4	84%	0.841	79%	0.794	S	S	*	*			trans	-71.5	127.4	171.1	-75.7	178.8	-44.9	0	0	109.4	T10 V14	T10-Q12 PolarHBondContact O-N 3.28Å; Q12-V14 PolarHBondContact O-N 2.67Å
13	F	24.8	Very low	26.6	Very low	215 Å²	215	133.9 Å²	133.9	94%	0.943	79%	0.791	S	S	*	*			trans	-62	108.1	166.3	-82.9	-98.6	0	0	0	110.2
14	V	25.6	Very low	26.2	Very low	137 Å²	137	132.5 Å²	132.5	83%	0.83	79%	0.789	S	S	*	*			trans	-137.2	125.1	160.9	-171.7	0	0	0	0	103.2	Q12	Q12-V14 PolarHBondContact O-N 2.67Å
15	G	21.4	Very low	26	Very low	66 Å²	66	127.2 Å²	127.2	68%	0.68	78%	0.784	S	S	*	*			cis	155.6	138.3	14.6	0	0	0	0	0	104
16	A	22.5	Very low	26	Very low	96 Å²	96	127 Å²	127	79%	0.793	79%	0.787	S	S	*	*			trans	39.9	121.6	159.2	0	0	0	0	0	119.9
17	S	25.6	Very low	26	Very low	115 Å²	115	127 Å²	127	80%	0.804	79%	0.785	S	S	*	*				171.6	128.7	109.7	-69.5	0	0	0	0	112.1
18	S	23.6	Very low	26.3	Very low	107 Å²	107	128.7 Å²	128.7	75%	0.748	79%	0.787	S	S	*	*			trans	15.7	140.5	150.4	58.4	0	0	0	0	123.2
19	S	25.6	Very low	27	Very low	107 Å²	107	122.1 Å²	122.1	75%	0.748	76%	0.764	S	S	*	*			trans	80.5	109.1	143.3	34.9	0	0	0	0	119.7
20	N	23.8	Very low	28.4	Very low	152 Å²	152	123.7 Å²	123.7	81%	0.813	76%	0.757	S	S	*	*			trans	27.8	106	143.1	-64.4	-3.7	0	0	0	117.5
21	D	28.7	Very low	29.9	Very low	162 Å²	162	123.5 Å²	123.5	87%	0.866	75%	0.747	S	S	*	*				-155.6	136.5	124.3	-97.2	-28.8	0	0	0	110.6
22	S	25.8	Very low	31.7	Very low	102 Å²	102	121.2 Å²	121.2	71%	0.713	72%	0.72	S	S	*	*			trans	-60.6	155.4	167.4	44.7	0	0	0	0	112
23	V	26.3	Very low	33.7	Very low	127 Å²	127	115.2 Å²	115.2	77%	0.77	70%	0.696	S	S	*	*			trans	110.6	125.2	161.2	-175.6	0	0	0	0	115.1
24	L	28.1	Very low	36	Very low	162 Å²	162	105 Å²	105	85%	0.848	65%	0.651	S	S	*	*			trans	75.8	95.3	168.9	-71.6	152.4	0	0	0	117.3	S26	L24-S26 PolarHBondContact O-N 2.78Å
25	G	27.1	Very low	38	Very low	72 Å²	72	102.8 Å²	102.8	74%	0.742	63%	0.632	S	S	*	*			trans	-59.6	119	162.5	0	0	0	0	0	110.3	T27	G25-T27 PolarHBondContact O-N 3.29Å
26	S	26.5	Very low	40.2	Very low	115 Å²	115	105 Å²	105	80%	0.804	62%	0.619	S	S	*	*			trans	-68	92.2	170.5	45.6	0	0	0	0	109.6	L24 M28	L24-S26 PolarHBondContact O-N 2.78Å; S26-M28 PolarHBondContact O-N 3.01Å; S26-M28 VanDerWaalsContact O-N 3.08Å
27	T	31.5	Very low	42.7	Very low	112 Å²	112	102.5 Å²	102.5	69%	0.687	60%	0.596	S	S	*	*			trans	-64.9	105.4	167.5	42.3	0	0	0	0	108.5	G25	G25-T27 PolarHBondContact O-N 3.29Å
28	M	32	Very low	44.9	Very low	157 Å²	157	100.7 Å²	100.7	77%	0.773	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-58.4	127.2	170.7	-75.3	-79.2	-96.5	0	0	108.9	S26 Y30	S26-M28 PolarHBondContact O-N 3.01Å; S26-M28 VanDerWaalsContact O-N 3.08Å; M28-Y30 PolarHBondContact O-N 2.73Å
29	P	40.9	Very low	47.3	Very low	60 Å²	60	100 Å²	100	39%	0.39	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-64.4	123.1	-179.2	20.4	-29.5	0	0	0	111.1	L122	P29-L122 HydrophobicContact CB-CB 3.69Å; P29-L122 HydrophobicContact CB-CD1 3.7Å; P29-L122 HydrophobicContact CB-CG 4.23Å; P29-L122 HydrophobicContact CG-CB 4.33Å; P29-L122 HydrophobicContact CG-CD1 3.41Å; P29-L122 VanDerWaalsContact CG-CD1 3.41Å; P29-L122 HydrophobicContact CG-CG 4.45Å
30	Y	55.5	Low	49.4	Very low	159 Å²	159	98 Å²	98	62%	0.624	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-67.4	128	179	-65.7	-87.1	0	0	0	110.5	M28	M28-Y30 PolarHBondContact O-N 2.73Å
31	Q	58.3	Low	51.6	Low	123 Å²	123	92 Å²	92	58%	0.575	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-99.2	119.4	173.7	-171.1	171.5	-2.3	0	0	109.2	P40	Q31-P40 HydrophobicContact CG-CB 4.12Å
32	P	65.5	Low	53.5	Low	19 Å²	19	93.3 Å²	93.3	12%	0.123	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-67.1	142	-178.2	26.8	-33.7	0	0	0	111.4	P40 L41 F129	P32-P40 WeakPolarHBondContact O-CA 3.37Å; P32-L41 HydrophobicContact CB-CD1 4.45Å; P32-L41 PolarHBondContact O-N 2.77Å; P32-F129 HydrophobicContact CB-CB 4.45Å; P32-F129 HydrophobicContact CB-CD2 3.33Å; P32-F129 HydrophobicContact CB-CE2 3.57Å; P32-F129 HydrophobicContact CB-CG 3.93Å; P32-F129 HydrophobicContact CB-CZ 4.38Å; P32-F129 HydrophobicContact CG-CD2 4.25Å
33	V	69.1	Low	55.5	Low	55 Å²	55	91.5 Å²	91.5	33%	0.333	50%	0.497	S	S	.	.	B	Isolated β-bridge	trans	-123.8	149.6	-176	-64.2	0	0	0	0	111.3	Q35 F38 N39	V33-Q35 PolarHBondContact O-N 3.38Å; V33-F38 HydrophobicContact CG2-CD1 4.42Å; V33-N39 WeakPolarHBondContact CA-O 3.42Å
34	C	72.4	Confident	57.6	Low	0 Å²	0	90 Å²	90	0%	0	48%	0.484	C	S	.	.			trans	-64.8	129.9	173.4	168.4	0	0	0	0	110.3	R36 C37 F38 N39 L41 C143	C34-R36 VanDerWaalsContact C-N 3.25Å; C34-R36 PolarHBondContact O-N 2.91Å; C34-R36 PolarHBondContact SG-N 3.17Å; C34-R36 VanDerWaalsContact SG-N 3.42Å; C34-C37 WeakPolarHBondContact CB-SG 3.47Å; C34-C37 PolarHBondContact SG-N 2.77Å; C34-C37 PolarHBondContact SG-SG 3.19Å; C34-F38 WeakPolarHBondContact O-CA 3.41Å; C34-F38 PolarHBondContact O-N 3.48Å; C34-N39 PolarHBondContact N-O 2.74Å; C34-L41 HydrophobicContact CB-CD2 3.85Å; C34-L41 HydrophobicContact CB-CG 4.38Å; C34-C143 HydrophobicContact CB-CB 3.91Å; C34-C143 PolarHBondContact SG-N 2.73Å; C34-C143 VanDerWaalsContact SG-SG 3.7Å
35	Q	68	Low	59.4	Low	91 Å²	91	89.6 Å²	89.6	43%	0.425	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-34.6	-179.6	-179.4	61.5	-3	0	0	113.6	V33 H140 P141 L142	V33-Q35 PolarHBondContact O-N 3.38Å; Q35-H140 HydrophobicContact CB-CB 3.83Å; Q35-H140 HydrophobicContact CG-CB 4.04Å; Q35-P141 PolarHBondContact N-O 2.8Å; Q35-P141 VanDerWaalsContact N-O 3.13Å; Q35-L142 HydrophobicContact CB-CD2 4.12Å
36	R	67.2	Low	61.3	Low	111 Å²	111	92.2 Å²	92.2	42%	0.419	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-52.5	-175	-177.3	169.8	179.7	179.4	1.6	112.2	C34 R84 L142 C146	C34-R36 VanDerWaalsContact C-N 3.25Å; C34-R36 PolarHBondContact O-N 2.91Å; C34-R36 PolarHBondContact SG-N 3.17Å; C34-R36 VanDerWaalsContact SG-N 3.42Å; R36-R84 PolarHBondContact O-NH1 3.25Å; R36-R84 PolarHBondContact O-NH2 3.16Å; R36-L142 HydrophobicContact CB-CD2 3.7Å; R36-C146 HydrophobicContact CB-CB 4.04Å; R36-C146 HydrophobicContact CG-CB 4.36Å; R36-C146 PolarHBondContact NH1-O 2.86Å
37	C	76.1	Confident	63.2	Low	45 Å²	45	89.6 Å²	89.6	30%	0.304	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-13	-173.3	70.3	0	0	0	0	114.7	C34 N39	C34-C37 WeakPolarHBondContact CB-SG 3.47Å; C34-C37 PolarHBondContact SG-N 2.77Å; C34-C37 PolarHBondContact SG-SG 3.19Å; C37-N39 PolarHBondContact O-N 2.66Å; C37-N39 VanDerWaalsContact O-N 3.17Å
38	F	71.5	Confident	64.6	Low	76 Å²	76	89.2 Å²	89.2	33%	0.333	44%	0.44	S	S	.	.			trans	57.7	15.4	-173.8	-54	-62.6	0	0	0	116	V33 C34 R84	V33-F38 HydrophobicContact CG2-CD1 4.42Å; C34-F38 WeakPolarHBondContact O-CA 3.41Å; C34-F38 PolarHBondContact O-N 3.48Å; F38-R84 HydrophobicContact CE2-CB 4.02Å; F38-R84 HydrophobicContact CE2-CG 3.67Å; F38-R84 HydrophobicContact CZ-CB 4.23Å; F38-R84 HydrophobicContact CZ-CG 4.19Å
39	N	72.8	Confident	66.1	Low	93 Å²	93	88.9 Å²	88.9	50%	0.497	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-71.1	145.2	167.1	-67.5	-21	0	0	0	108.9	V33 C34 C37 L41	V33-N39 WeakPolarHBondContact CA-O 3.42Å; C34-N39 PolarHBondContact N-O 2.74Å; C37-N39 PolarHBondContact O-N 2.66Å; C37-N39 VanDerWaalsContact O-N 3.17Å; N39-L41 PolarHBondContact O-N 3.43Å
40	P	69.7	Low	67	Low	65 Å²	65	88.1 Å²	88.1	42%	0.422	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-55.6	135.3	171.7	-19.2	29.5	0	0	0	110.7	Q31 P32 Q42	Q31-P40 HydrophobicContact CG-CB 4.12Å; P32-P40 WeakPolarHBondContact O-CA 3.37Å; P40-Q42 PolarHBondContact O-N 2.67Å
41	L	70.3	Confident	67.4	Low	27 Å²	27	86.7 Å²	86.7	14%	0.141	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-72.4	124	176.5	-70.7	166.6	0	0	0	108.6	P32 C34 N39 P141 C143	P32-L41 HydrophobicContact CB-CD1 4.45Å; P32-L41 PolarHBondContact O-N 2.77Å; C34-L41 HydrophobicContact CB-CD2 3.85Å; C34-L41 HydrophobicContact CB-CG 4.38Å; N39-L41 PolarHBondContact O-N 3.43Å; L41-P141 HydrophobicContact CD1-CB 3.92Å; L41-P141 HydrophobicContact CD1-CG 3.59Å; L41-C143 HydrophobicContact CD2-CB 3.89Å
42	Q	68.9	Low	67.3	Low	189 Å²	189	86.7 Å²	86.7	88%	0.883	43%	0.425	S	S	*	.			trans	-83.5	114	163.7	-67.9	-175.7	7.5	0	0	106.2	P40	P40-Q42 PolarHBondContact O-N 2.67Å
43	L	68.3	Low	67.2	Low	64 Å²	64	90.4 Å²	90.4	34%	0.335	45%	0.448	S	S	.	.			trans	-70.3	148.7	166.4	-67.6	169.8	0	0	0	108.1	F47 N125 L128	L43-F47 HydrophobicContact CB-CB 4.26Å; L43-F47 HydrophobicContact CB-CD2 4.33Å; L43-F47 HydrophobicContact CB-CG 4.44Å; L43-N125 HydrophobicContact CD1-CB 3.97Å; L43-N125 VanDerWaalsContact CD1-CG 3.41Å; L43-N125 VanDerWaalsContact CD1-OD1 3.26Å; L43-N125 WeakPolarHBondContact CD1-OD1 3.39Å; L43-L128 HydrophobicContact CD1-CD2 4.45Å
44	D	69.6	Low	67.1	Low	94 Å²	94	92 Å²	92	50%	0.503	45%	0.452	S	S	.	.			trans	-59.1	149.4	173.7	-160.4	-72.3	0	0	0	110.2	D46 F47	D44-D46 PolarHBondContact O-N 3.16Å; D44-D46 PolarHBondContact OD1-N 3.49Å; D44-F47 HydrophobicContact CB-CD2 3.81Å; D44-F47 HydrophobicContact CB-CE2 4.06Å; D44-F47 WeakPolarHBondContact O-CB 3.1Å; D44-F47 PolarHBondContact O-N 3.36Å
45	Q	67	Low	66.7	Low	155 Å²	155	93.1 Å²	93.1	72%	0.724	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-59.3	-27.1	178.4	-69.1	178.8	9.2	0	0	111.5	F47 E48	Q45-F47 PolarHBondContact O-N 2.79Å; Q45-E48 WeakPolarHBondContact O-CB 3.43Å; Q45-E48 PolarHBondContact O-N 3.49Å
46	D	67.2	Low	66.2	Low	126 Å²	126	92.2 Å²	92.2	67%	0.674	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-60.3	-27.5	176.8	-67.2	-15	0	0	0	112.3	D44 E48 H49	D44-D46 PolarHBondContact O-N 3.16Å; D44-D46 PolarHBondContact OD1-N 3.49Å; D46-E48 VanDerWaalsContact C-N 3.3Å; D46-E48 PolarHBondContact O-N 3.49Å; D46-H49 PolarHBondContact O-N 3.23Å
47	F	66	Low	66.2	Low	61 Å²	61	91 Å²	91	27%	0.268	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-72.4	-19.1	174.8	-69.8	-89	0	0	0	113.6	L43 D44 Q45 H49 L50 L58 L128	L43-F47 HydrophobicContact CB-CB 4.26Å; L43-F47 HydrophobicContact CB-CD2 4.33Å; L43-F47 HydrophobicContact CB-CG 4.44Å; D44-F47 HydrophobicContact CB-CD2 3.81Å; D44-F47 HydrophobicContact CB-CE2 4.06Å; D44-F47 WeakPolarHBondContact O-CB 3.1Å; D44-F47 PolarHBondContact O-N 3.36Å; Q45-F47 PolarHBondContact O-N 2.79Å; F47-H49 PolarHBondContact O-N 3.04Å; F47-L50 HydrophobicContact CB-CD1 4.09Å; F47-L50 HydrophobicContact CD1-CD1 3.35Å; F47-L50 HydrophobicContact CD1-CG 4.41Å; F47-L50 HydrophobicContact CE1-CD1 4.09Å; F47-L50 HydrophobicContact CG-CD1 4.07Å; F47-L58 HydrophobicContact CE1-CD2 3.86Å; F47-L58 HydrophobicContact CZ-CD2 4.48Å; F47-L128 HydrophobicContact CD1-CD2 3.35Å; F47-L128 HydrophobicContact CE1-CD2 3.65Å; F47-L128 HydrophobicContact CG-CD2 4.3Å
48	E	61	Low	65.5	Low	104 Å²	104	91.8 Å²	91.8	49%	0.486	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-72.7	-17.8	177.5	-64.1	-161.1	133.8	0	0	112.6	Q45 D46 R121	Q45-E48 WeakPolarHBondContact O-CB 3.43Å; Q45-E48 PolarHBondContact O-N 3.49Å; D46-E48 VanDerWaalsContact C-N 3.3Å; D46-E48 PolarHBondContact O-N 3.49Å; E48-R121 WeakPolarHBondContact OE1-CD 3.35Å; E48-R121 IonicContact OE1-CZ 3.28Å; E48-R121 IonicContact OE1-NE 2.62Å; E48-R121 IonicContact OE1-NH1 3.24Å; E48-R121 PolarHBondContact OE1-NH1 3.42Å
49	H	62.4	Low	64.8	Low	150 Å²	150	88.9 Å²	88.9	69%	0.694	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-124.4	15.7	-174.5	-64.7	-36.3	0	0	0	114.3	D46 F47 Q51	D46-H49 PolarHBondContact O-N 3.23Å; F47-H49 PolarHBondContact O-N 3.04Å; H49-Q51 PolarHBondContact O-N 3.4Å
50	L	61	Low	64.1	Low	44 Å²	44	88.5 Å²	88.5	23%	0.23	45%	0.447	C	S	.	.			trans	-50.5	113.4	178.2	-87.5	163.2	0	0	0	111.7	F47 E54	F47-L50 HydrophobicContact CB-CD1 4.09Å; F47-L50 HydrophobicContact CD1-CD1 3.35Å; F47-L50 HydrophobicContact CD1-CG 4.41Å; F47-L50 HydrophobicContact CE1-CD1 4.09Å; F47-L50 HydrophobicContact CG-CD1 4.07Å; L50-E54 HydrophobicContact CD2-CB 3.71Å
51	Q	62.8	Low	63.4	Low	129 Å²	129	89.1 Å²	89.1	60%	0.603	46%	0.457	S	S	*	.			trans	-74.5	156.1	170.7	-61.3	-163.1	11.3	0	0	110.3	H49 T53 E54 L55	H49-Q51 PolarHBondContact O-N 3.4Å; Q51-T53 PolarHBondContact O-N 2.81Å; Q51-T53 VanDerWaalsContact O-N 3.09Å; Q51-E54 HydrophobicContact CB-CG 4.41Å; Q51-E54 PolarHBondContact N-OE2 2.92Å; Q51-E54 PolarHBondContact O-N 3.29Å; Q51-L55 PolarHBondContact O-N 3.4Å
52	K	57.3	Low	62.5	Low	122 Å²	122	90 Å²	90	53%	0.53	46%	0.464	S	S	.	.	H	α-helix	trans	-49.1	-40	179.9	-178.3	174.9	179.1	169.6	0	113.2	L56 A112	K52-L56 WeakPolarHBondContact O-CB 3.27Å; K52-L56 PolarHBondContact O-N 2.75Å; K52-L56 VanDerWaalsContact O-N 3.14Å; K52-A112 HydrophobicContact CB-CB 4.21Å
53	T	63.1	Low	61.6	Low	97 Å²	97	85.4 Å²	85.4	60%	0.595	45%	0.449	S	S	*	.	H	α-helix	trans	-68.8	-41.8	178.3	42.7	0	0	0	0	112.4	Q51 L56 T57	Q51-T53 PolarHBondContact O-N 2.81Å; Q51-T53 VanDerWaalsContact O-N 3.09Å; T53-L56 PolarHBondContact O-N 2.9Å; T53-T57 WeakPolarHBondContact O-CG2 3.29Å; T53-T57 PolarHBondContact O-N 2.96Å; T53-T57 PolarHBondContact O-OG1 2.99Å
54	E	66.9	Low	60.2	Low	89 Å²	89	85.4 Å²	85.4	42%	0.416	46%	0.458	S	S	.	.	H	α-helix	trans	-67.7	-41.2	-179.4	-64.4	166.5	162.4	0	0	111.1	L50 Q51 T57 L58	L50-E54 HydrophobicContact CD2-CB 3.71Å; Q51-E54 HydrophobicContact CB-CG 4.41Å; Q51-E54 PolarHBondContact N-OE2 2.92Å; Q51-E54 PolarHBondContact O-N 3.29Å; E54-T57 VanDerWaalsContact C-OG1 3.31Å; E54-T57 VanDerWaalsContact CA-OG1 3.28Å; E54-T57 WeakPolarHBondContact CA-OG1 3.26Å; E54-T57 PolarHBondContact O-N 3.28Å; E54-T57 PolarHBondContact O-OG1 2.88Å; E54-L58 PolarHBondContact O-N 3.06Å
55	L	62.6	Low	58.8	Low	24 Å²	24	87.7 Å²	87.7	13%	0.126	47%	0.47	C	S	.	.	H	α-helix	trans	-62.2	-43.5	174.1	-176.6	65.2	0	0	0	111.8	Q51 L58 I59 L108 L128	Q51-L55 PolarHBondContact O-N 3.4Å; L55-L58 WeakPolarHBondContact O-CB 3.46Å; L55-L58 PolarHBondContact O-N 3.35Å; L55-I59 HydrophobicContact CG-CD1 4.28Å; L55-I59 VanDerWaalsContact O-CG1 3.26Å; L55-I59 WeakPolarHBondContact O-CG1 3.23Å; L55-I59 PolarHBondContact O-N 2.86Å; L55-I59 VanDerWaalsContact O-N 3.09Å; L55-L108 HydrophobicContact CD1-CD2 4.08Å; L55-L108 HydrophobicContact CD2-CD2 3.7Å; L55-L108 HydrophobicContact CG-CD2 4.27Å; L55-L128 HydrophobicContact CD1-CD1 4.39Å
56	L	58.6	Low	57.6	Low	71 Å²	71	85.9 Å²	85.9	37%	0.372	48%	0.475	S	S	.	.	H	α-helix	trans	-66.4	-40.9	177.4	-166	66.5	0	0	0	111.5	K52 T53 L58 I59 D60 L105	K52-L56 WeakPolarHBondContact O-CB 3.27Å; K52-L56 PolarHBondContact O-N 2.75Å; K52-L56 VanDerWaalsContact O-N 3.14Å; T53-L56 PolarHBondContact O-N 2.9Å; L56-L58 VanDerWaalsContact C-N 3.3Å; L56-L58 PolarHBondContact O-N 2.89Å; L56-I59 WeakPolarHBondContact O-CB 3.22Å; L56-I59 PolarHBondContact O-N 3.37Å; L56-D60 PolarHBondContact O-N 2.85Å; L56-L105 HydrophobicContact CD1-CD1 3.91Å
57	T	67.2	Low	56.3	Low	85 Å²	85	89 Å²	89	52%	0.521	49%	0.485	S	S	.	.	H	α-helix	trans	-63.5	-34.3	174.2	52	0	0	0	0	112.9	T53 E54 I59 D60 A61	T53-T57 WeakPolarHBondContact O-CG2 3.29Å; T53-T57 PolarHBondContact O-N 2.96Å; T53-T57 PolarHBondContact O-OG1 2.99Å; E54-T57 VanDerWaalsContact C-OG1 3.31Å; E54-T57 VanDerWaalsContact CA-OG1 3.28Å; E54-T57 WeakPolarHBondContact CA-OG1 3.26Å; E54-T57 PolarHBondContact O-N 3.28Å; E54-T57 PolarHBondContact O-OG1 2.88Å; T57-I59 VanDerWaalsContact C-N 3.33Å; T57-D60 PolarHBondContact O-N 2.84Å; T57-A61 VanDerWaalsContact O-CB 3.24Å; T57-A61 WeakPolarHBondContact O-CB 3.28Å; T57-A61 PolarHBondContact O-N 3.22Å
58	L	61.9	Low	55.2	Low	63 Å²	63	92.6 Å²	92.6	33%	0.33	51%	0.512	S	S	.	.	H	α-helix	trans	-66.7	-38.8	175.6	-139.3	82.3	0	0	0	111.2	F47 E54 L55 L56 T62 L128	F47-L58 HydrophobicContact CE1-CD2 3.86Å; F47-L58 HydrophobicContact CZ-CD2 4.48Å; E54-L58 PolarHBondContact O-N 3.06Å; L55-L58 WeakPolarHBondContact O-CB 3.46Å; L55-L58 PolarHBondContact O-N 3.35Å; L56-L58 VanDerWaalsContact C-N 3.3Å; L56-L58 PolarHBondContact O-N 2.89Å; L58-T62 WeakPolarHBondContact O-CG2 2.93Å; L58-L128 HydrophobicContact CD2-CD1 4.24Å
59	I	56.6	Low	54.1	Low	14 Å²	14	91.7 Å²	91.7	7%	0.072	52%	0.518	C	S	.	.	H	α-helix	trans	-67.7	-45	176.4	-68.6	169.6	0	0	0	110.2	L55 L56 T57 T62 L105 L108 V131 R135	L55-I59 HydrophobicContact CG-CD1 4.28Å; L55-I59 VanDerWaalsContact O-CG1 3.26Å; L55-I59 WeakPolarHBondContact O-CG1 3.23Å; L55-I59 PolarHBondContact O-N 2.86Å; L55-I59 VanDerWaalsContact O-N 3.09Å; L56-I59 WeakPolarHBondContact O-CB 3.22Å; L56-I59 PolarHBondContact O-N 3.37Å; T57-I59 VanDerWaalsContact C-N 3.33Å; I59-T62 PolarHBondContact O-N 2.83Å; I59-T62 PolarHBondContact O-OG1 3.3Å; I59-L105 HydrophobicContact CD1-CD1 3.86Å; I59-L105 HydrophobicContact CG2-CD1 4.49Å; I59-L108 HydrophobicContact CD1-CD1 4.42Å; I59-V131 HydrophobicContact CG1-CG1 4.45Å; I59-R135 PolarHBondContact O-NH1 2.98Å
60	D	57.3	Low	52.7	Low	85 Å²	85	91.7 Å²	91.7	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-70.5	-34.8	-179.9	-68.8	-17.7	0	0	0	112.5	L56 T57 T62 T63	L56-D60 PolarHBondContact O-N 2.85Å; T57-D60 PolarHBondContact O-N 2.84Å; D60-T62 PolarHBondContact O-N 3.31Å; D60-T62 VanDerWaalsContact O-N 3.12Å; D60-T63 PolarHBondContact O-N 2.97Å; D60-T63 VanDerWaalsContact O-N 3.08Å; D60-T63 PolarHBondContact O-OG1 2.81Å
61	A	55.6	Low	51.2	Low	78 Å²	78	93.9 Å²	93.9	65%	0.645	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.3	175.3	0	0	0	0	0	113.3	T57	T57-A61 VanDerWaalsContact O-CB 3.24Å; T57-A61 WeakPolarHBondContact O-CB 3.28Å; T57-A61 PolarHBondContact O-N 3.22Å
62	T	51	Low	49.6	Very low	47 Å²	47	93.9 Å²	93.9	29%	0.288	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-4.5	176.1	63.5	0	0	0	0	114	L58 I59 D60	L58-T62 WeakPolarHBondContact O-CG2 2.93Å; I59-T62 PolarHBondContact O-N 2.83Å; I59-T62 PolarHBondContact O-OG1 3.3Å; D60-T62 PolarHBondContact O-N 3.31Å; D60-T62 VanDerWaalsContact O-N 3.12Å
63	T	49.2	Very low	48.2	Very low	92 Å²	92	94.3 Å²	94.3	56%	0.564	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-18.3	178	60.9	0	0	0	0	113.2	D60	D60-T63 PolarHBondContact O-N 2.97Å; D60-T63 VanDerWaalsContact O-N 3.08Å; D60-T63 PolarHBondContact O-OG1 2.81Å
64	A	40.5	Very low	46.6	Very low	63 Å²	63	93.3 Å²	93.3	52%	0.521	54%	0.541	S	S	.	.	S	Bend	trans	-82.5	129.4	-178.5	0	0	0	0	0	111.3
65	D	40.4	Very low	44.8	Very low	142 Å²	142	94 Å²	94	76%	0.759	55%	0.552	S	S	*	*			trans	84.4	55.9	163.1	-46.8	-23.8	0	0	0	117
66	S	40.1	Very low	43.1	Very low	118 Å²	118	97.4 Å²	97.4	83%	0.825	58%	0.575	S	S	*	*			trans	-102.6	70.7	152.1	-80.6	0	0	0	0	110.7
67	E	41.3	Very low	41.7	Very low	191 Å²	191	99.4 Å²	99.4	89%	0.893	59%	0.59	S	S	*	*	S	Bend	trans	-130.3	-8.6	156.6	-76.4	-156.3	168	0	0	114.3
68	T	41.6	Very low	39.9	Very low	136 Å²	136	103.3 Å²	103.3	83%	0.834	60%	0.599	S	S	*	*	S	Bend	trans	-144	27.1	-169.6	56.9	0	0	0	0	117.1
69	S	37.8	Very low	38.5	Very low	86 Å²	86	104.7 Å²	104.7	60%	0.601	61%	0.607	S	S	*	*			trans	-124.9	111.2	169.6	59.6	0	0	0	0	111.6
70	D	33.6	Very low	37.4	Very low	150 Å²	150	106.5 Å²	106.5	80%	0.802	62%	0.621	S	S	*	*			trans	-44.8	138.1	159.4	-73	-47.7	0	0	0	109.7	I72	D70-I72 PolarHBondContact O-N 3.37Å; D70-I72 VanDerWaalsContact O-N 3.16Å
71	P	28.8	Very low	36.5	Very low	90 Å²	90	107.1 Å²	107.1	58%	0.584	63%	0.628	S	S	*	*			trans	-55.5	125.9	-174.3	20.5	-31.6	0	0	0	109.5	N73	P71-N73 VanDerWaalsContact C-N 3.32Å; P71-N73 PolarHBondContact O-N 2.92Å
72	I	30.3	Very low	35.5	Very low	128 Å²	128	107.9 Å²	107.9	66%	0.656	63%	0.625	S	S	*	*			trans	-62.8	102.6	171.5	-63.9	174.9	0	0	0	105.9	D70 L74	D70-I72 PolarHBondContact O-N 3.37Å; D70-I72 VanDerWaalsContact O-N 3.16Å; I72-L74 HydrophobicContact CG2-CD2 4.38Å; I72-L74 HydrophobicContact CG2-CG 4.34Å; I72-L74 PolarHBondContact O-N 3.47Å
73	N	28.2	Very low	34.6	Very low	131 Å²	131	112 Å²	112	70%	0.701	65%	0.652	S	S	*	*			trans	-66.5	87.2	177.3	-163.9	-21.5	0	0	0	108.9	P71 V75	P71-N73 VanDerWaalsContact C-N 3.32Å; P71-N73 PolarHBondContact O-N 2.92Å; N73-V75 VanDerWaalsContact C-N 3.26Å; N73-V75 PolarHBondContact O-N 3.32Å
74	L	28.5	Very low	34	Very low	77 Å²	77	112.2 Å²	112.2	40%	0.403	64%	0.643	S	S	.	*			trans	-70.4	87.9	169.8	-74.3	175	0	0	0	107.7	I72 P76 V138	I72-L74 HydrophobicContact CG2-CD2 4.38Å; I72-L74 HydrophobicContact CG2-CG 4.34Å; I72-L74 PolarHBondContact O-N 3.47Å; L74-P76 WeakPolarHBondContact O-CD 3.08Å; L74-V138 HydrophobicContact CD1-CB 4.35Å; L74-V138 HydrophobicContact CD1-CG1 4.02Å; L74-V138 HydrophobicContact CD1-CG2 4Å
75	V	29.1	Very low	33.4	Very low	104 Å²	104	113.6 Å²	113.6	63%	0.63	65%	0.647	S	S	*	*			trans	-49.2	113.4	169.5	179.1	0	0	0	0	108.2	N73 V77	N73-V75 VanDerWaalsContact C-N 3.26Å; N73-V75 PolarHBondContact O-N 3.32Å; V75-V77 PolarHBondContact O-N 3.43Å
76	P	26.6	Very low	32.9	Very low	94 Å²	94	117.6 Å²	117.6	61%	0.61	65%	0.651	S	S	*	*			trans	-62.2	116.2	-178.5	-21.7	32.2	0	0	0	108.6	L74 K78	L74-P76 WeakPolarHBondContact O-CD 3.08Å; P76-K78 HydrophobicContact CB-CG 4.38Å; P76-K78 PolarHBondContact O-N 2.89Å
77	V	31.2	Very low	32.6	Very low	114 Å²	114	120 Å²	120	69%	0.691	65%	0.647	S	S	*	*			trans	-68.4	83	171.1	-178.9	0	0	0	0	107.6	V75 N79	V75-V77 PolarHBondContact O-N 3.43Å; V77-N79 HydrophobicContact CG1-CB 3.97Å; V77-N79 PolarHBondContact O-N 3.37Å
78	K	28.8	Very low	32.1	Very low	166 Å²	166	117 Å²	117	72%	0.722	64%	0.635	S	S	*	*			trans	-73.3	56.9	171.4	-70.7	-176.6	-179.5	174.2	0	110.3	P76	P76-K78 HydrophobicContact CB-CG 4.38Å; P76-K78 PolarHBondContact O-N 2.89Å
79	N	31.7	Very low	31.8	Very low	93 Å²	93	115.3 Å²	115.3	50%	0.497	63%	0.625	S	S	.	*			trans	-114.5	74.8	170.6	-76	-20	0	0	0	110.2	V77 Y394	V77-N79 HydrophobicContact CG1-CB 3.97Å; V77-N79 PolarHBondContact O-N 3.37Å; N79-Y394 PolarHBondContact OD1-OH 3.31Å
80	S	34.9	Very low	31.4	Very low	51 Å²	51	113.2 Å²	113.2	36%	0.357	61%	0.609	S	S	.	*			trans	-170	110.7	137.1	47.2	0	0	0	0	110.6	T82 R84	S80-T82 PolarHBondContact O-N 3.03Å; S80-R84 VanDerWaalsContact OG-CZ 3.25Å; S80-R84 PolarHBondContact OG-NE 3.27Å; S80-R84 PolarHBondContact OG-NH2 3.48Å
81	T	38.1	Very low	31.3	Very low	99 Å²	99	111.4 Å²	111.4	61%	0.607	61%	0.606	S	S	*	*			trans	-78.6	21.3	172.9	8.9	0	0	0	0	113
82	T	33.5	Very low	31.6	Very low	94 Å²	94	112.9 Å²	112.9	58%	0.577	61%	0.609	S	S	*	*	S	Bend	trans	-86.8	136.8	166.4	38.1	0	0	0	0	108.7	S80 R84	S80-T82 PolarHBondContact O-N 3.03Å; T82-R84 PolarHBondContact O-N 3.15Å
83	P	31.6	Very low	31.9	Very low	132 Å²	132	109 Å²	109	86%	0.857	59%	0.593	S	S	*	*			trans	-65.8	91.6	169.5	10.7	-1.2	0	0	0	107
84	R	36.5	Very low	32.3	Very low	97 Å²	97	105 Å²	105	37%	0.366	58%	0.578	S	S	.	*			trans	-63	136.7	169.3	-71.3	168.9	163.3	-130.7	3.7	106	R36 F38 S80 T82 R86	R36-R84 PolarHBondContact O-NH1 3.25Å; R36-R84 PolarHBondContact O-NH2 3.16Å; F38-R84 HydrophobicContact CE2-CB 4.02Å; F38-R84 HydrophobicContact CE2-CG 3.67Å; F38-R84 HydrophobicContact CZ-CB 4.23Å; F38-R84 HydrophobicContact CZ-CG 4.19Å; S80-R84 VanDerWaalsContact OG-CZ 3.25Å; S80-R84 PolarHBondContact OG-NE 3.27Å; S80-R84 PolarHBondContact OG-NH2 3.48Å; T82-R84 PolarHBondContact O-N 3.15Å; R84-R86 PolarHBondContact O-N 3.4Å
85	P	29.8	Very low	32.6	Very low	93 Å²	93	105.8 Å²	105.8	60%	0.604	58%	0.582	S	S	*	*			trans	-52.6	118.6	171.3	22.2	-29.9	0	0	0	106.4	F87	P85-F87 HydrophobicContact CB-CD2 4.41Å; P85-F87 HydrophobicContact CB-CE2 4.24Å; P85-F87 HydrophobicContact CG-CD2 4.29Å; P85-F87 HydrophobicContact CG-CE2 3.96Å; P85-F87 PolarHBondContact O-N 3.4Å
86	R	29.8	Very low	32.9	Very low	226 Å²	226	105.4 Å²	105.4	85%	0.853	58%	0.584	S	S	*	*			trans	-63.9	89.7	161.8	-72.5	-172.1	-155	130.1	1	104.3	R84 I88	R84-R86 PolarHBondContact O-N 3.4Å; R86-I88 HydrophobicContact CB-CG1 4.09Å; R86-I88 PolarHBondContact O-N 2.92Å
87	F	34.1	Very low	33.2	Very low	167 Å²	167	107 Å²	107	73%	0.732	59%	0.587	S	S	*	*			trans	-61.8	96.6	138.5	-65.9	-76.5	0	0	0	102.9	P85 V89	P85-F87 HydrophobicContact CB-CD2 4.41Å; P85-F87 HydrophobicContact CB-CE2 4.24Å; P85-F87 HydrophobicContact CG-CD2 4.29Å; P85-F87 HydrophobicContact CG-CE2 3.96Å; P85-F87 PolarHBondContact O-N 3.4Å; F87-V89 PolarHBondContact O-N 2.86Å
88	I	29.1	Very low	33.4	Very low	128 Å²	128	104.4 Å²	104.4	66%	0.656	57%	0.569	S	S	*	*			trans	-60.4	97.8	159.4	-62.8	171.1	0	0	0	101.6	R86 P90	R86-I88 HydrophobicContact CB-CG1 4.09Å; R86-I88 PolarHBondContact O-N 2.92Å; I88-P90 WeakPolarHBondContact O-CD 3.35Å
89	V	36.2	Very low	33.7	Very low	101 Å²	101	103.1 Å²	103.1	61%	0.612	57%	0.57	S	S	*	*			trans	-66.7	107.7	159.6	-177.2	0	0	0	0	102.3	F87	F87-V89 PolarHBondContact O-N 2.86Å
90	P	28.6	Very low	34.1	Very low	42 Å²	42	106.7 Å²	106.7	27%	0.273	59%	0.589	S	S	.	*			trans	-59.1	136.6	-179.7	-13.9	28.6	0	0	0	106.8	I88 N92 S93	I88-P90 WeakPolarHBondContact O-CD 3.35Å; P90-N92 PolarHBondContact O-N 3.33Å; P90-S93 WeakPolarHBondContact CB-OG 3.36Å
91	P	32.6	Very low	34.4	Very low	113 Å²	113	112.8 Å²	112.8	73%	0.734	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	120.8	175.1	24.3	-31.3	0	0	0	107.6	S93	P91-S93 VanDerWaalsContact C-N 3.32Å; P91-S93 PolarHBondContact O-N 3.46Å; P91-S93 VanDerWaalsContact O-N 3.09Å
92	N	34	Very low	34.5	Very low	120 Å²	120	113.9 Å²	113.9	64%	0.642	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.8	34.9	164.2	-57.8	-11.3	0	0	0	116.3	P90 A94 L95 S96	P90-N92 PolarHBondContact O-N 3.33Å; N92-A94 VanDerWaalsContact C-N 3.31Å; N92-A94 PolarHBondContact O-N 3.4Å; N92-L95 PolarHBondContact O-N 2.96Å; N92-S96 WeakPolarHBondContact O-CB 3.3Å; N92-S96 PolarHBondContact O-N 3.2Å
93	S	36.8	Very low	35.3	Very low	48 Å²	48	113.5 Å²	113.5	34%	0.336	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.9	-12	-175.3	-98.6	0	0	0	0	116	P90 P91 L97	P90-S93 WeakPolarHBondContact CB-OG 3.36Å; P91-S93 VanDerWaalsContact C-N 3.32Å; P91-S93 PolarHBondContact O-N 3.46Å; P91-S93 VanDerWaalsContact O-N 3.09Å; S93-L97 WeakPolarHBondContact O-CB 3.47Å; S93-L97 WeakPolarHBondContact O-CD1 3.34Å; S93-L97 VanDerWaalsContact O-CG 3.26Å; S93-L97 WeakPolarHBondContact O-CG 2.9Å
94	A	36.6	Very low	36.1	Very low	46 Å²	46	109.6 Å²	109.6	38%	0.38	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.3	-43.5	170.6	0	0	0	0	0	111.7	N92 S96 L97 L98 D130	N92-A94 VanDerWaalsContact C-N 3.31Å; N92-A94 PolarHBondContact O-N 3.4Å; A94-S96 VanDerWaalsContact C-N 3.29Å; A94-S96 PolarHBondContact O-N 3.21Å; A94-L97 PolarHBondContact O-N 3.05Å; A94-L98 PolarHBondContact O-N 3.43Å; A94-D130 WeakPolarHBondContact CB-OD2 3.33Å
95	L	35.2	Very low	36.7	Very low	93 Å²	93	107.6 Å²	107.6	49%	0.487	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.2	-33.6	174.3	-88.5	172.2	0	0	0	112.3	N92 L97 L98 P104	N92-L95 PolarHBondContact O-N 2.96Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L95-L98 VanDerWaalsContact O-O 3.08Å; L95-P104 HydrophobicContact CD2-CB 4.08Å; L95-P104 HydrophobicContact CD2-CG 3.39Å
96	S	35	Very low	37.7	Very low	96 Å²	96	109 Å²	109	67%	0.671	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-10.7	178.3	-164	0	0	0	0	114.2	N92 A94	N92-S96 WeakPolarHBondContact O-CB 3.3Å; N92-S96 PolarHBondContact O-N 3.2Å; A94-S96 VanDerWaalsContact C-N 3.29Å; A94-S96 PolarHBondContact O-N 3.21Å
97	L	33.5	Very low	38.8	Very low	129 Å²	129	98.8 Å²	98.8	68%	0.675	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-13.3	172.4	-78.1	176.7	0	0	0	113	S93 A94 L95 N99	S93-L97 WeakPolarHBondContact O-CB 3.47Å; S93-L97 WeakPolarHBondContact O-CD1 3.34Å; S93-L97 VanDerWaalsContact O-CG 3.26Å; S93-L97 WeakPolarHBondContact O-CG 2.9Å; A94-L97 PolarHBondContact O-N 3.05Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L97-N99 PolarHBondContact O-N 2.94Å
98	L	35.3	Very low	39.6	Very low	58 Å²	58	91.2 Å²	91.2	30%	0.304	50%	0.504	S	S	.	.	S	Bend	trans	-80.2	107.1	161.2	-59.4	175.8	0	0	0	104.7	A94 L95 D100 T107	A94-L98 PolarHBondContact O-N 3.43Å; L95-L98 VanDerWaalsContact O-O 3.08Å; L98-D100 PolarHBondContact O-N 3.4Å; L98-T107 HydrophobicContact CD1-CG2 4.33Å; L98-T107 HydrophobicContact CD2-CG2 4.44Å
99	N	34.4	Very low	40.6	Very low	140 Å²	140	89.4 Å²	89.4	75%	0.749	49%	0.492	S	S	*	.			trans	-42.5	141.3	169.5	-68.3	-43	0	0	0	108.6	L97 E101 E102	L97-N99 PolarHBondContact O-N 2.94Å; N99-E101 PolarHBondContact O-N 3.38Å; N99-E102 PolarHBondContact O-N 3.48Å
100	D	40.4	Very low	41.6	Very low	167 Å²	167	88.5 Å²	88.5	89%	0.893	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	10	-168.6	-62.6	-59.7	0	0	0	117.3	L98	L98-D100 PolarHBondContact O-N 3.4Å
101	E	41.2	Very low	42.8	Very low	180 Å²	180	88.4 Å²	88.4	84%	0.841	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-8.3	-172.6	-60.6	-74.9	138.1	0	0	114.4	N99	N99-E101 PolarHBondContact O-N 3.38Å
102	E	40.7	Very low	43.6	Very low	122 Å²	122	85.2 Å²	85.2	57%	0.57	47%	0.468	S	S	*	.	S	Bend	trans	-102.9	119.3	176.3	-67.5	-156.1	177.8	0	0	112.3	N99 P104	N99-E102 PolarHBondContact O-N 3.48Å; E102-P104 WeakPolarHBondContact O-CD 3.22Å
103	D	49.7	Very low	44.6	Very low	86 Å²	86	81.1 Å²	81.1	46%	0.46	45%	0.454	S	S	.	.			trans	-58.1	122.5	173.4	179.4	-1	0	0	0	109.3	L105 E106 T107	D103-L105 PolarHBondContact O-N 3.12Å; D103-L105 VanDerWaalsContact OD1-CB 3.3Å; D103-L105 WeakPolarHBondContact OD1-CB 3.34Å; D103-L105 PolarHBondContact OD1-N 3.17Å; D103-E106 HydrophobicContact CB-CB 4.09Å; D103-E106 WeakPolarHBondContact O-CA 3.1Å; D103-E106 WeakPolarHBondContact O-CB 3.49Å; D103-E106 PolarHBondContact O-N 3.09Å; D103-T107 PolarHBondContact O-N 3.4Å; D103-T107 VanDerWaalsContact O-N 3.13Å; D103-T107 PolarHBondContact O-OG1 3.11Å
104	P	47.9	Very low	45	Very low	50 Å²	50	85.7 Å²	85.7	33%	0.325	48%	0.483	S	S	.	.	H	α-helix	trans	-52.5	-30	177.2	-27	35.9	0	0	0	112.9	L95 E102 L108	L95-P104 HydrophobicContact CD2-CB 4.08Å; L95-P104 HydrophobicContact CD2-CG 3.39Å; E102-P104 WeakPolarHBondContact O-CD 3.22Å; P104-L108 PolarHBondContact O-N 2.89Å
105	L	49.2	Very low	45.8	Very low	54 Å²	54	87.3 Å²	87.3	28%	0.283	49%	0.489	S	S	.	.	H	α-helix	trans	-68.8	-37.1	175.6	-168.4	65.3	0	0	0	112.1	L56 I59 D103 L108 Q109	L56-L105 HydrophobicContact CD1-CD1 3.91Å; I59-L105 HydrophobicContact CD1-CD1 3.86Å; I59-L105 HydrophobicContact CG2-CD1 4.49Å; D103-L105 PolarHBondContact O-N 3.12Å; D103-L105 VanDerWaalsContact OD1-CB 3.3Å; D103-L105 WeakPolarHBondContact OD1-CB 3.34Å; D103-L105 PolarHBondContact OD1-N 3.17Å; L105-L108 PolarHBondContact O-N 3.11Å; L105-Q109 VanDerWaalsContact O-CG 3.22Å; L105-Q109 WeakPolarHBondContact O-CG 2.95Å; L105-Q109 PolarHBondContact O-N 3.4Å
106	E	51	Low	46.7	Very low	122 Å²	122	89.2 Å²	89.2	57%	0.57	51%	0.51	S	S	*	.	H	α-helix	trans	-71.9	-37.1	177.7	-157.9	173.2	-156.8	0	0	111.1	D103 Q109 S110	D103-E106 HydrophobicContact CB-CB 4.09Å; D103-E106 WeakPolarHBondContact O-CA 3.1Å; D103-E106 WeakPolarHBondContact O-CB 3.49Å; D103-E106 PolarHBondContact O-N 3.09Å; E106-Q109 WeakPolarHBondContact O-CB 3.21Å; E106-Q109 PolarHBondContact O-N 2.83Å; E106-S110 PolarHBondContact O-N 2.86Å
107	T	52.7	Low	48	Very low	12 Å²	12	87.4 Å²	87.4	7%	0.074	50%	0.497	C	S	.	.	H	α-helix	trans	-63.3	-43.8	171.1	-39.7	0	0	0	0	111.2	L98 D103 Q109 S110 Y111	L98-T107 HydrophobicContact CD1-CG2 4.33Å; L98-T107 HydrophobicContact CD2-CG2 4.44Å; D103-T107 PolarHBondContact O-N 3.4Å; D103-T107 VanDerWaalsContact O-N 3.13Å; D103-T107 PolarHBondContact O-OG1 3.11Å; T107-Q109 VanDerWaalsContact C-N 3.33Å; T107-Q109 PolarHBondContact O-N 3.27Å; T107-S110 WeakPolarHBondContact O-CB 3.44Å; T107-S110 PolarHBondContact O-N 3.48Å; T107-S110 VanDerWaalsContact O-N 3.17Å; T107-S110 PolarHBondContact O-OG 3.37Å; T107-Y111 HydrophobicContact CG2-CE2 3.63Å; T107-Y111 WeakPolarHBondContact O-CD2 3.43Å; T107-Y111 VanDerWaalsContact O-CE2 3.28Å; T107-Y111 WeakPolarHBondContact O-CE2 3.3Å
108	L	50.8	Low	49.4	Very low	8 Å²	8	86.5 Å²	86.5	4%	0.042	49%	0.492	C	S	.	.	H	α-helix	trans	-61.5	-38.6	172.8	-94.4	142.3	0	0	0	112.5	L55 I59 P104 L105 S110 Y111 C127 V131	L55-L108 HydrophobicContact CD1-CD2 4.08Å; L55-L108 HydrophobicContact CD2-CD2 3.7Å; L55-L108 HydrophobicContact CG-CD2 4.27Å; I59-L108 HydrophobicContact CD1-CD1 4.42Å; P104-L108 PolarHBondContact O-N 2.89Å; L105-L108 PolarHBondContact O-N 3.11Å; L108-S110 VanDerWaalsContact C-N 3.26Å; L108-S110 PolarHBondContact O-N 2.81Å; L108-Y111 PolarHBondContact O-N 3.23Å; L108-C127 VanDerWaalsContact CD1-SG 3.55Å; L108-C127 VanDerWaalsContact CG-SG 3.52Å; L108-V131 HydrophobicContact CD1-CG2 3.76Å
109	Q	51.3	Low	50.6	Low	90 Å²	90	88.7 Å²	88.7	42%	0.421	50%	0.504	S	S	.	.	H	α-helix	trans	-62.3	-32.2	174.7	-75.7	176.2	37.2	0	0	112.7	L105 E106 T107 Y111 A112	L105-Q109 VanDerWaalsContact O-CG 3.22Å; L105-Q109 WeakPolarHBondContact O-CG 2.95Å; L105-Q109 PolarHBondContact O-N 3.4Å; E106-Q109 WeakPolarHBondContact O-CB 3.21Å; E106-Q109 PolarHBondContact O-N 2.83Å; T107-Q109 VanDerWaalsContact C-N 3.33Å; T107-Q109 PolarHBondContact O-N 3.27Å; Q109-Y111 VanDerWaalsContact C-N 3.28Å; Q109-Y111 PolarHBondContact O-N 3.04Å; Q109-A112 PolarHBondContact O-N 3.42Å
110	S	57.2	Low	51.9	Low	83 Å²	83	83.8 Å²	83.8	58%	0.58	48%	0.477	S	S	*	.	H	α-helix	trans	-69.2	-22.7	177.1	81.4	0	0	0	0	113.8	E106 T107 L108	E106-S110 PolarHBondContact O-N 2.86Å; T107-S110 WeakPolarHBondContact O-CB 3.44Å; T107-S110 PolarHBondContact O-N 3.48Å; T107-S110 VanDerWaalsContact O-N 3.17Å; T107-S110 PolarHBondContact O-OG 3.37Å; L108-S110 VanDerWaalsContact C-N 3.26Å; L108-S110 PolarHBondContact O-N 2.81Å
111	Y	54.1	Low	53	Low	39 Å²	39	81 Å²	81	15%	0.153	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-4.4	179.2	-61.1	-62.8	0	0	0	114.5	T107 L108 Q109 G113 H120 K123 V124	T107-Y111 HydrophobicContact CG2-CE2 3.63Å; T107-Y111 WeakPolarHBondContact O-CD2 3.43Å; T107-Y111 VanDerWaalsContact O-CE2 3.28Å; T107-Y111 WeakPolarHBondContact O-CE2 3.3Å; L108-Y111 PolarHBondContact O-N 3.23Å; Q109-Y111 VanDerWaalsContact C-N 3.28Å; Q109-Y111 PolarHBondContact O-N 3.04Å; Y111-G113 PolarHBondContact O-N 2.84Å; Y111-H120 AromaticContact CD1-CD2 3.9Å; Y111-H120 AromaticContact CD1-NE2 3.78Å; Y111-H120 PolarHBondContact O-CE1 3.19Å; Y111-H120 PolarHBondContact O-NE2 3.26Å; Y111-H120 VanDerWaalsContact O-NE2 3.11Å; Y111-K123 HydrophobicContact CE1-CD 3.69Å; Y111-K123 HydrophobicContact CE1-CG 4.2Å; Y111-K123 WeakPolarHBondContact OH-CD 3.32Å; Y111-K123 WeakPolarHBondContact OH-CE 3.37Å; Y111-K123 PolarHBondContact OH-NZ 2.99Å; Y111-V124 HydrophobicContact CG-CG2 4.19Å
112	A	49.7	Very low	54	Low	46 Å²	46	74.1 Å²	74.1	38%	0.38	42%	0.422	S	S	.	.			trans	-76.2	29.9	-176.9	0	0	0	0	0	114.2	K52 Q109	K52-A112 HydrophobicContact CB-CB 4.21Å; Q109-A112 PolarHBondContact O-N 3.42Å
113	G	53	Low	55	Low	34 Å²	34	73.6 Å²	73.6	35%	0.351	42%	0.418	S	S	.	.	S	Bend	trans	-107.9	139.6	176.6	0	0	0	0	0	111.8	Y111 T115	Y111-G113 PolarHBondContact O-N 2.84Å; G113-T115 VanDerWaalsContact C-N 3.32Å; G113-T115 PolarHBondContact O-N 3.11Å
114	P	46.2	Very low	55.7	Low	144 Å²	144	71 Å²	71	94%	0.935	41%	0.406	S	S	*	.			trans	-70.1	88.2	176.8	28	-32.2	0	0	0	109.9
115	T	53.5	Low	56.6	Low	81 Å²	81	70.4 Å²	70.4	50%	0.497	40%	0.399	S	S	.	.			trans	-117.7	125.8	166.9	74.1	0	0	0	0	109	G113 S117 H120	G113-T115 VanDerWaalsContact C-N 3.32Å; G113-T115 PolarHBondContact O-N 3.11Å; T115-S117 PolarHBondContact O-N 3.43Å; T115-H120 PolarHBondContact OG1-CD2 2.95Å
116	S	54.6	Low	57.3	Low	133 Å²	133	69 Å²	69	93%	0.93	40%	0.396	S	S	*	.			trans	-86.2	15.3	-172.2	56	0	0	0	0	113.9
117	S	61.1	Low	57.8	Low	58 Å²	58	64.5 Å²	64.5	41%	0.406	38%	0.377	S	S	.	.			trans	-77.2	135.9	-177.7	97.8	0	0	0	0	110.3	T115 D119 H120 R121	T115-S117 PolarHBondContact O-N 3.43Å; S117-D119 PolarHBondContact O-N 3.46Å; S117-H120 WeakPolarHBondContact O-CB 3.39Å; S117-H120 PolarHBondContact O-N 3.01Å; S117-H120 WeakPolarHBondContact OG-CB 3.17Å; S117-H120 PolarHBondContact OG-N 3.36Å; S117-H120 VanDerWaalsContact OG-N 3.13Å; S117-R121 PolarHBondContact O-N 3.03Å; S117-R121 VanDerWaalsContact O-N 3.1Å
118	L	63	Low	58.4	Low	109 Å²	109	64.3 Å²	64.3	57%	0.571	38%	0.376	S	S	*	.	H	α-helix	trans	-58.1	-32.1	178.1	177.8	135.7	0	0	0	111.9	R121 L122	L118-R121 PolarHBondContact O-N 2.83Å; L118-L122 HydrophobicContact CD2-CD1 3.54Å; L118-L122 HydrophobicContact CD2-CG 4.43Å; L118-L122 HydrophobicContact CG-CD1 4.17Å; L118-L122 VanDerWaalsContact O-CG 3.25Å; L118-L122 WeakPolarHBondContact O-CG 3.28Å; L118-L122 PolarHBondContact O-N 3.06Å
119	D	60.9	Low	58.9	Low	105 Å²	105	66 Å²	66	56%	0.561	38%	0.383	S	S	*	.	H	α-helix	trans	-67.1	-44.7	177.5	-161.8	55.3	0	0	0	111.8	S117 R121 L122 K123	S117-D119 PolarHBondContact O-N 3.46Å; D119-R121 PolarHBondContact O-N 3.38Å; D119-L122 PolarHBondContact O-N 3.01Å; D119-K123 WeakPolarHBondContact O-CB 3.47Å; D119-K123 PolarHBondContact O-N 3.41Å
120	H	62.6	Low	59.4	Low	37 Å²	37	64.3 Å²	64.3	17%	0.171	38%	0.377	C	S	.	.	H	α-helix	trans	-59.4	-46.8	173.6	-178.3	-96.3	0	0	0	111.2	Y111 T115 S117 L122 K123 V124	Y111-H120 AromaticContact CD1-CD2 3.9Å; Y111-H120 AromaticContact CD1-NE2 3.78Å; Y111-H120 PolarHBondContact O-CE1 3.19Å; Y111-H120 PolarHBondContact O-NE2 3.26Å; Y111-H120 VanDerWaalsContact O-NE2 3.11Å; T115-H120 PolarHBondContact OG1-CD2 2.95Å; S117-H120 WeakPolarHBondContact O-CB 3.39Å; S117-H120 PolarHBondContact O-N 3.01Å; S117-H120 WeakPolarHBondContact OG-CB 3.17Å; S117-H120 PolarHBondContact OG-N 3.36Å; S117-H120 VanDerWaalsContact OG-N 3.13Å; H120-L122 VanDerWaalsContact C-N 3.34Å; H120-L122 PolarHBondContact O-N 3.36Å; H120-K123 PolarHBondContact O-N 3.03Å; H120-K123 VanDerWaalsContact O-N 3.15Å; H120-V124 WeakPolarHBondContact O-CG2 3.34Å; H120-V124 PolarHBondContact O-N 3.42Å
121	R	62.4	Low	59.7	Low	109 Å²	109	61.6 Å²	61.6	41%	0.411	36%	0.357	S	S	.	.	H	α-helix	trans	-61.6	-41.4	179	-171.5	171.4	57.5	-165.1	-7	112.2	E48 S117 L118 D119 K123 N125	E48-R121 WeakPolarHBondContact OE1-CD 3.35Å; E48-R121 IonicContact OE1-CZ 3.28Å; E48-R121 IonicContact OE1-NE 2.62Å; E48-R121 IonicContact OE1-NH1 3.24Å; E48-R121 PolarHBondContact OE1-NH1 3.42Å; S117-R121 PolarHBondContact O-N 3.03Å; S117-R121 VanDerWaalsContact O-N 3.1Å; L118-R121 PolarHBondContact O-N 2.83Å; D119-R121 PolarHBondContact O-N 3.38Å; R121-K123 VanDerWaalsContact C-N 3.32Å; R121-K123 PolarHBondContact O-N 3.41Å; R121-N125 VanDerWaalsContact O-CB 3.32Å; R121-N125 WeakPolarHBondContact O-CB 3.35Å; R121-N125 PolarHBondContact O-N 3.23Å; R121-N125 PolarHBondContact O-ND2 2.88Å; R121-N125 PolarHBondContact O-OD1 2.82Å
122	L	62.3	Low	60	Low	34 Å²	34	62.8 Å²	62.8	18%	0.178	37%	0.365	C	S	.	.	H	α-helix	trans	-66.6	-35.1	176.4	-71.3	170.2	0	0	0	112.3	P29 L118 D119 H120 A126	P29-L122 HydrophobicContact CB-CB 3.69Å; P29-L122 HydrophobicContact CB-CD1 3.7Å; P29-L122 HydrophobicContact CB-CG 4.23Å; P29-L122 HydrophobicContact CG-CB 4.33Å; P29-L122 HydrophobicContact CG-CD1 3.41Å; P29-L122 VanDerWaalsContact CG-CD1 3.41Å; P29-L122 HydrophobicContact CG-CG 4.45Å; L118-L122 HydrophobicContact CD2-CD1 3.54Å; L118-L122 HydrophobicContact CD2-CG 4.43Å; L118-L122 HydrophobicContact CG-CD1 4.17Å; L118-L122 VanDerWaalsContact O-CG 3.25Å; L118-L122 WeakPolarHBondContact O-CG 3.28Å; L118-L122 PolarHBondContact O-N 3.06Å; D119-L122 PolarHBondContact O-N 3.01Å; H120-L122 VanDerWaalsContact C-N 3.34Å; H120-L122 PolarHBondContact O-N 3.36Å; L122-A126 WeakPolarHBondContact O-CB 3.38Å; L122-A126 PolarHBondContact O-N 3.44Å
123	K	62.3	Low	60.4	Low	112 Å²	112	62 Å²	62	49%	0.487	36%	0.357	S	S	.	.	H	α-helix	trans	-71.8	-42.8	178.5	-156.7	170.5	-171.1	-161.8	0	112.6	Y111 D119 H120 R121 N125 A126 C127	Y111-K123 HydrophobicContact CE1-CD 3.69Å; Y111-K123 HydrophobicContact CE1-CG 4.2Å; Y111-K123 WeakPolarHBondContact OH-CD 3.32Å; Y111-K123 WeakPolarHBondContact OH-CE 3.37Å; Y111-K123 PolarHBondContact OH-NZ 2.99Å; D119-K123 WeakPolarHBondContact O-CB 3.47Å; D119-K123 PolarHBondContact O-N 3.41Å; H120-K123 PolarHBondContact O-N 3.03Å; H120-K123 VanDerWaalsContact O-N 3.15Å; R121-K123 VanDerWaalsContact C-N 3.32Å; R121-K123 PolarHBondContact O-N 3.41Å; K123-N125 VanDerWaalsContact C-N 3.33Å; K123-A126 PolarHBondContact O-N 2.91Å; K123-C127 WeakPolarHBondContact O-CB 3.49Å; K123-C127 PolarHBondContact O-N 3.42Å
124	V	64.5	Low	60.5	Low	32 Å²	32	63.5 Å²	63.5	19%	0.194	37%	0.373	C	S	.	.	H	α-helix	trans	-59.9	-45.2	172	173.5	0	0	0	0	110.4	Y111 H120 A126 C127 L128	Y111-V124 HydrophobicContact CG-CG2 4.19Å; H120-V124 WeakPolarHBondContact O-CG2 3.34Å; H120-V124 PolarHBondContact O-N 3.42Å; V124-A126 PolarHBondContact O-N 2.72Å; V124-C127 PolarHBondContact O-N 2.88Å; V124-L128 WeakPolarHBondContact O-CB 3.35Å; V124-L128 PolarHBondContact O-N 3.32Å
125	N	65.7	Low	60.8	Low	36 Å²	36	62.6 Å²	62.6	19%	0.193	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-40.8	178.6	-69.8	-4.3	0	0	0	112.6	L43 R121 K123 F129	L43-N125 HydrophobicContact CD1-CB 3.97Å; L43-N125 VanDerWaalsContact CD1-CG 3.41Å; L43-N125 VanDerWaalsContact CD1-OD1 3.26Å; L43-N125 WeakPolarHBondContact CD1-OD1 3.39Å; R121-N125 VanDerWaalsContact O-CB 3.32Å; R121-N125 WeakPolarHBondContact O-CB 3.35Å; R121-N125 PolarHBondContact O-N 3.23Å; R121-N125 PolarHBondContact O-ND2 2.88Å; R121-N125 PolarHBondContact O-OD1 2.82Å; K123-N125 VanDerWaalsContact C-N 3.33Å; N125-F129 VanDerWaalsContact O-CB 3.25Å; N125-F129 WeakPolarHBondContact O-CB 3.19Å; N125-F129 PolarHBondContact O-N 3.45Å
126	A	64	Low	60.8	Low	26 Å²	26	61.7 Å²	61.7	22%	0.215	35%	0.345	C	S	.	.	H	α-helix	trans	-64.8	-44.6	176.1	0	0	0	0	0	111.4	L122 K123 V124 F129 D130	L122-A126 WeakPolarHBondContact O-CB 3.38Å; L122-A126 PolarHBondContact O-N 3.44Å; K123-A126 PolarHBondContact O-N 2.91Å; V124-A126 PolarHBondContact O-N 2.72Å; A126-F129 WeakPolarHBondContact O-CB 3.31Å; A126-F129 PolarHBondContact O-N 3.1Å; A126-D130 VanDerWaalsContact O-CG 3.32Å; A126-D130 PolarHBondContact O-N 2.96Å
127	C	62.8	Low	60.7	Low	26 Å²	26	61.6 Å²	61.6	18%	0.176	33%	0.33	C	S	.	.	H	α-helix	trans	-66.9	-44	179.7	-170.2	0	0	0	0	112.6	L108 K123 V124 F129 D130 V131	L108-C127 VanDerWaalsContact CD1-SG 3.55Å; L108-C127 VanDerWaalsContact CG-SG 3.52Å; K123-C127 WeakPolarHBondContact O-CB 3.49Å; K123-C127 PolarHBondContact O-N 3.42Å; V124-C127 PolarHBondContact O-N 2.88Å; C127-F129 VanDerWaalsContact C-N 3.27Å; C127-F129 PolarHBondContact O-N 3.04Å; C127-D130 PolarHBondContact O-N 3.1Å; C127-V131 WeakPolarHBondContact O-CG2 3.43Å; C127-V131 PolarHBondContact O-N 3.11Å
128	L	64	Low	60.5	Low	9 Å²	9	62.3 Å²	62.3	5%	0.047	33%	0.332	C	S	.	.	H	α-helix	trans	-58.5	-42.4	173.7	-179.9	70	0	0	0	111.2	L43 F47 L55 L58 V124 V131 L132	L43-L128 HydrophobicContact CD1-CD2 4.45Å; F47-L128 HydrophobicContact CD1-CD2 3.35Å; F47-L128 HydrophobicContact CE1-CD2 3.65Å; F47-L128 HydrophobicContact CG-CD2 4.3Å; L55-L128 HydrophobicContact CD1-CD1 4.39Å; L58-L128 HydrophobicContact CD2-CD1 4.24Å; V124-L128 WeakPolarHBondContact O-CB 3.35Å; V124-L128 PolarHBondContact O-N 3.32Å; L128-V131 PolarHBondContact O-N 3.26Å; L128-L132 HydrophobicContact CD1-CD1 4.14Å; L128-L132 HydrophobicContact CD1-CG 4.32Å; L128-L132 HydrophobicContact CD2-CD1 4.48Å; L128-L132 HydrophobicContact CG-CD1 3.92Å; L128-L132 HydrophobicContact CG-CG 4.44Å; L128-L132 WeakPolarHBondContact O-CB 3.36Å; L128-L132 VanDerWaalsContact O-CG 3.31Å; L128-L132 WeakPolarHBondContact O-CG 3.35Å; L128-L132 PolarHBondContact O-N 3.48Å
129	F	61.9	Low	60.1	Low	44 Å²	44	62.7 Å²	62.7	19%	0.193	33%	0.334	C	S	.	.	H	α-helix	trans	-61	-44.6	176.6	177.8	-87.9	0	0	0	112	P32 N125 A126 C127 L132 S133 P141	P32-F129 HydrophobicContact CB-CB 4.45Å; P32-F129 HydrophobicContact CB-CD2 3.33Å; P32-F129 HydrophobicContact CB-CE2 3.57Å; P32-F129 HydrophobicContact CB-CG 3.93Å; P32-F129 HydrophobicContact CB-CZ 4.38Å; P32-F129 HydrophobicContact CG-CD2 4.25Å; N125-F129 VanDerWaalsContact O-CB 3.25Å; N125-F129 WeakPolarHBondContact O-CB 3.19Å; N125-F129 PolarHBondContact O-N 3.45Å; A126-F129 WeakPolarHBondContact O-CB 3.31Å; A126-F129 PolarHBondContact O-N 3.1Å; C127-F129 VanDerWaalsContact C-N 3.27Å; C127-F129 PolarHBondContact O-N 3.04Å; F129-L132 PolarHBondContact O-N 2.86Å; F129-S133 WeakPolarHBondContact O-CB 3.4Å; F129-S133 PolarHBondContact O-N 3.17Å; F129-P141 HydrophobicContact CD2-CG 3.88Å; F129-P141 HydrophobicContact CE2-CG 3.36Å; F129-P141 HydrophobicContact CZ-CG 4.29Å
130	D	61.7	Low	60.3	Low	54 Å²	54	61.3 Å²	61.3	29%	0.289	32%	0.324	S	S	.	.	H	α-helix	trans	-65.4	-38.7	178.8	-67.8	-32.8	0	0	0	112	A94 A126 C127 G134	A94-D130 WeakPolarHBondContact CB-OD2 3.33Å; A126-D130 VanDerWaalsContact O-CG 3.32Å; A126-D130 PolarHBondContact O-N 2.96Å; C127-D130 PolarHBondContact O-N 3.1Å; D130-G134 PolarHBondContact O-N 2.93Å
131	V	62.8	Low	60.7	Low	25 Å²	25	61.8 Å²	61.8	15%	0.152	33%	0.331	C	S	.	.	H	α-helix	trans	-66.2	-46.5	176.3	173.2	0	0	0	0	111.6	I59 L108 C127 L128 R135	I59-V131 HydrophobicContact CG1-CG1 4.45Å; L108-V131 HydrophobicContact CD1-CG2 3.76Å; C127-V131 WeakPolarHBondContact O-CG2 3.43Å; C127-V131 PolarHBondContact O-N 3.11Å; L128-V131 PolarHBondContact O-N 3.26Å; V131-R135 WeakPolarHBondContact O-CB 3.37Å; V131-R135 WeakPolarHBondContact O-CG 3.3Å; V131-R135 PolarHBondContact O-N 3.36Å
132	L	60.8	Low	61.2	Low	64 Å²	64	59.3 Å²	59.3	34%	0.335	33%	0.325	S	S	.	.	H	α-helix	trans	-66.5	-43.4	179.7	-69	173.3	0	0	0	111.4	L128 F129 T136	L128-L132 HydrophobicContact CD1-CD1 4.14Å; L128-L132 HydrophobicContact CD1-CG 4.32Å; L128-L132 HydrophobicContact CD2-CD1 4.48Å; L128-L132 HydrophobicContact CG-CD1 3.92Å; L128-L132 HydrophobicContact CG-CG 4.44Å; L128-L132 WeakPolarHBondContact O-CB 3.36Å; L128-L132 VanDerWaalsContact O-CG 3.31Å; L128-L132 WeakPolarHBondContact O-CG 3.35Å; L128-L132 PolarHBondContact O-N 3.48Å; F129-L132 PolarHBondContact O-N 2.86Å; L132-T136 PolarHBondContact O-N 3.4Å; L132-T136 PolarHBondContact O-OG1 2.82Å; L132-T136 VanDerWaalsContact O-OG1 3.08Å
133	S	57.6	Low	62.2	Low	31 Å²	31	58.7 Å²	58.7	22%	0.217	32%	0.324	C	S	.	.	H	α-helix	trans	-68.8	-34	179.3	-179.1	0	0	0	0	112.9	F129 D139	F129-S133 WeakPolarHBondContact O-CB 3.4Å; F129-S133 PolarHBondContact O-N 3.17Å; S133-D139 PolarHBondContact OG-O 2.89Å
134	G	56.8	Low	63.2	Low	65 Å²	65	60.7 Å²	60.7	67%	0.67	34%	0.335	S	S	*	.	H	α-helix	trans	-80.4	-15.5	-178.9	0	0	0	0	0	115.3	D130	D130-G134 PolarHBondContact O-N 2.93Å
135	R	50.7	Low	64.1	Low	124 Å²	124	66 Å²	66	47%	0.468	36%	0.358	S	S	.	.	H	α-helix	trans	-113.3	-13.6	-173.9	-67	-173.2	178.6	-165.9	0.8	115	I59 V131	I59-R135 PolarHBondContact O-NH1 2.98Å; V131-R135 WeakPolarHBondContact O-CB 3.37Å; V131-R135 WeakPolarHBondContact O-CG 3.3Å; V131-R135 PolarHBondContact O-N 3.36Å
136	T	54.2	Low	64.8	Low	62 Å²	62	64.9 Å²	64.9	38%	0.38	35%	0.352	S	S	.	.	S	Bend	trans	-101.1	139.7	171	64	0	0	0	0	109.8	L132 V138	L132-T136 PolarHBondContact O-N 3.4Å; L132-T136 PolarHBondContact O-OG1 2.82Å; L132-T136 VanDerWaalsContact O-OG1 3.08Å; T136-V138 PolarHBondContact O-N 3.07Å; T136-V138 PolarHBondContact OG1-O 3.45Å
137	E	52.4	Low	65.8	Low	131 Å²	131	65.1 Å²	65.1	61%	0.612	35%	0.354	S	S	*	.	S	Bend	trans	-58.7	-15	170.8	-62.5	-171.3	159.2	0	0	113	D139	E137-D139 PolarHBondContact O-N 3.21Å; E137-D139 VanDerWaalsContact O-N 3.13Å
138	V	56.2	Low	66.9	Low	74 Å²	74	67.9 Å²	67.9	45%	0.448	37%	0.367	S	S	.	.	S	Bend	trans	-79.5	94.7	175.7	-171.5	0	0	0	0	108.5	L74 T136 H140	L74-V138 HydrophobicContact CD1-CB 4.35Å; L74-V138 HydrophobicContact CD1-CG1 4.02Å; L74-V138 HydrophobicContact CD1-CG2 4Å; T136-V138 PolarHBondContact O-N 3.07Å; T136-V138 PolarHBondContact OG1-O 3.45Å; V138-H140 PolarHBondContact O-N 3.46Å
139	D	54.7	Low	67.8	Low	117 Å²	117	70.7 Å²	70.7	63%	0.626	39%	0.385	S	S	*	.			trans	-43.2	-45.1	-174.6	-77.9	-46	0	0	0	112.9	S133 E137	S133-D139 PolarHBondContact OG-O 2.89Å; E137-D139 PolarHBondContact O-N 3.21Å; E137-D139 VanDerWaalsContact O-N 3.13Å
140	H	66.7	Low	68.8	Low	75 Å²	75	71.3 Å²	71.3	35%	0.347	39%	0.39	S	S	.	.	S	Bend	trans	-143.4	133	-167.7	-54.9	-28.7	0	0	0	114.8	Q35 V138	Q35-H140 HydrophobicContact CB-CB 3.83Å; Q35-H140 HydrophobicContact CG-CB 4.04Å; V138-H140 PolarHBondContact O-N 3.46Å
141	P	69.1	Low	70	Confident	48 Å²	48	74.3 Å²	74.3	31%	0.312	41%	0.406	S	S	.	.			trans	-69.4	149.8	-175.6	25.9	-33.5	0	0	0	114	Q35 L41 F129	Q35-P141 PolarHBondContact N-O 2.8Å; Q35-P141 VanDerWaalsContact N-O 3.13Å; L41-P141 HydrophobicContact CD1-CB 3.92Å; L41-P141 HydrophobicContact CD1-CG 3.59Å; F129-P141 HydrophobicContact CD2-CG 3.88Å; F129-P141 HydrophobicContact CE2-CG 3.36Å; F129-P141 HydrophobicContact CZ-CG 4.29Å
142	L	75	Confident	71.3	Confident	56 Å²	56	78.4 Å²	78.4	29%	0.293	43%	0.426	S	S	.	.			trans	-105.6	149.3	177.1	-63.6	176.1	0	0	0	110.1	Q35 R36 C146 A147 L150	Q35-L142 HydrophobicContact CB-CD2 4.12Å; R36-L142 HydrophobicContact CB-CD2 3.7Å; L142-C146 HydrophobicContact CB-CB 4.14Å; L142-C146 HydrophobicContact CD2-CB 4.34Å; L142-A147 HydrophobicContact CB-CB 4.3Å; L142-L150 HydrophobicContact CD1-CD2 3.79Å
143	C	81.6	Confident	72.3	Confident	22 Å²	22	77.4 Å²	77.4	15%	0.149	43%	0.427	C	S	.	.			trans	-69.2	154.9	165.4	69.9	0	0	0	0	109.5	C34 L41 E145 C146 A147	C34-C143 HydrophobicContact CB-CB 3.91Å; C34-C143 PolarHBondContact SG-N 2.73Å; C34-C143 VanDerWaalsContact SG-SG 3.7Å; L41-C143 HydrophobicContact CD2-CB 3.89Å; C143-E145 VanDerWaalsContact C-N 3.31Å; C143-E145 PolarHBondContact O-N 3.21Å; C143-C146 WeakPolarHBondContact O-CA 3.28Å; C143-C146 WeakPolarHBondContact O-CB 3.44Å; C143-C146 PolarHBondContact O-N 2.94Å; C143-C146 PolarHBondContact SG-SG 3.21Å; C143-A147 PolarHBondContact O-N 3.46Å
144	Q	83.3	Confident	73.7	Confident	153 Å²	153	81 Å²	81	72%	0.715	44%	0.438	S	S	*	.	H	α-helix	trans	-47.5	-50.4	-178.5	-175.5	174.6	3.4	0	0	112.6	C146 A147 D148	Q144-C146 VanDerWaalsContact C-N 3.27Å; Q144-C146 PolarHBondContact O-N 3.04Å; Q144-A147 WeakPolarHBondContact O-CB 3.47Å; Q144-A147 PolarHBondContact O-N 2.91Å; Q144-A147 VanDerWaalsContact O-N 3.08Å; Q144-D148 VanDerWaalsContact O-CG 3.25Å; Q144-D148 PolarHBondContact O-N 3.04Å
145	E	84.2	Confident	75.3	Confident	145 Å²	145	82.4 Å²	82.4	68%	0.678	43%	0.428	S	S	*	.	H	α-helix	trans	-57.2	-38.3	177.9	-59.1	179	171.3	0	0	113.4	C143 T149	C143-E145 VanDerWaalsContact C-N 3.31Å; C143-E145 PolarHBondContact O-N 3.21Å; E145-T149 WeakPolarHBondContact O-CB 3.49Å; E145-T149 PolarHBondContact O-N 2.99Å; E145-T149 VanDerWaalsContact O-N 3.09Å; E145-T149 PolarHBondContact O-OG1 3.11Å
146	C	81.3	Confident	76.9	Confident	12 Å²	12	82.1 Å²	82.1	8%	0.081	43%	0.432	C	S	.	.	H	α-helix	trans	-75.5	-33.7	179.1	-76.5	0	0	0	0	112.3	R36 L142 C143 Q144 L150	R36-C146 HydrophobicContact CB-CB 4.04Å; R36-C146 HydrophobicContact CG-CB 4.36Å; R36-C146 PolarHBondContact NH1-O 2.86Å; L142-C146 HydrophobicContact CB-CB 4.14Å; L142-C146 HydrophobicContact CD2-CB 4.34Å; C143-C146 WeakPolarHBondContact O-CA 3.28Å; C143-C146 WeakPolarHBondContact O-CB 3.44Å; C143-C146 PolarHBondContact O-N 2.94Å; C143-C146 PolarHBondContact SG-SG 3.21Å; Q144-C146 VanDerWaalsContact C-N 3.27Å; Q144-C146 PolarHBondContact O-N 3.04Å; C146-L150 WeakPolarHBondContact O-CB 3.41Å; C146-L150 PolarHBondContact O-N 2.97Å; C146-L150 VanDerWaalsContact O-N 3.15Å
147	A	84.7	Confident	78.5	Confident	31 Å²	31	82.4 Å²	82.4	26%	0.256	44%	0.435	S	S	.	.	H	α-helix	trans	-68	-48.2	173.3	0	0	0	0	0	110.6	L142 C143 Q144 T149 L150 L151	L142-A147 HydrophobicContact CB-CB 4.3Å; C143-A147 PolarHBondContact O-N 3.46Å; Q144-A147 WeakPolarHBondContact O-CB 3.47Å; Q144-A147 PolarHBondContact O-N 2.91Å; Q144-A147 VanDerWaalsContact O-N 3.08Å; A147-T149 VanDerWaalsContact C-N 3.32Å; A147-T149 PolarHBondContact O-N 3.47Å; A147-L150 CarbonylContact O-C 3.51Å; A147-L150 WeakPolarHBondContact O-CA 3.33Å; A147-L150 WeakPolarHBondContact O-CB 3.43Å; A147-L150 PolarHBondContact O-N 3.4Å; A147-L151 WeakPolarHBondContact O-CG 3.31Å; A147-L151 PolarHBondContact O-N 2.77Å
148	D	85	Confident	80.3	Confident	84 Å²	84	79.8 Å²	79.8	45%	0.449	43%	0.425	S	S	.	.	H	α-helix	trans	-59.5	-43.3	177	-65.7	-20.5	0	0	0	111.6	Q144 L150 L151 L152	Q144-D148 VanDerWaalsContact O-CG 3.25Å; Q144-D148 PolarHBondContact O-N 3.04Å; D148-L150 PolarHBondContact O-N 3.07Å; D148-L151 PolarHBondContact O-N 3.38Å; D148-L152 WeakPolarHBondContact O-CB 3.4Å; D148-L152 PolarHBondContact O-N 3.49Å
149	T	83.7	Confident	81.8	Confident	68 Å²	68	81.2 Å²	81.2	42%	0.417	43%	0.427	S	S	.	.	H	α-helix	trans	-62.4	-34.3	175.2	-55.9	0	0	0	0	111.7	E145 A147 A153	E145-T149 WeakPolarHBondContact O-CB 3.49Å; E145-T149 PolarHBondContact O-N 2.99Å; E145-T149 VanDerWaalsContact O-N 3.09Å; E145-T149 PolarHBondContact O-OG1 3.11Å; A147-T149 VanDerWaalsContact C-N 3.32Å; A147-T149 PolarHBondContact O-N 3.47Å; T149-A153 WeakPolarHBondContact O-CB 3.45Å; T149-A153 PolarHBondContact O-N 2.85Å
150	L	83.4	Confident	83.4	Confident	56 Å²	56	82 Å²	82	29%	0.293	43%	0.425	S	S	.	.	H	α-helix	trans	-73.1	-44.1	177.2	-179.9	64.9	0	0	0	111.1	L142 C146 A147 D148 A153 K154	L142-L150 HydrophobicContact CD1-CD2 3.79Å; C146-L150 WeakPolarHBondContact O-CB 3.41Å; C146-L150 PolarHBondContact O-N 2.97Å; C146-L150 VanDerWaalsContact O-N 3.15Å; A147-L150 CarbonylContact O-C 3.51Å; A147-L150 WeakPolarHBondContact O-CA 3.33Å; A147-L150 WeakPolarHBondContact O-CB 3.43Å; A147-L150 PolarHBondContact O-N 3.4Å; D148-L150 PolarHBondContact O-N 3.07Å; L150-A153 PolarHBondContact O-N 2.74Å; L150-K154 WeakPolarHBondContact O-CG 3.21Å; L150-K154 PolarHBondContact O-N 3Å
151	L	86.7	Confident	84.4	Confident	118 Å²	118	83.7 Å²	83.7	62%	0.618	43%	0.433	S	S	*	.	H	α-helix	trans	-60.3	-46.1	176.7	-71	173.1	0	0	0	111.2	A147 D148 A153 K154 Q155	A147-L151 WeakPolarHBondContact O-CG 3.31Å; A147-L151 PolarHBondContact O-N 2.77Å; D148-L151 PolarHBondContact O-N 3.38Å; L151-A153 VanDerWaalsContact C-N 3.31Å; L151-A153 PolarHBondContact O-N 2.85Å; L151-K154 PolarHBondContact O-N 3.09Å; L151-K154 VanDerWaalsContact O-N 3.16Å; L151-Q155 WeakPolarHBondContact O-CB 3.45Å; L151-Q155 PolarHBondContact O-N 2.88Å
152	L	88.6	Confident	85.4	Confident	110 Å²	110	85.8 Å²	85.8	58%	0.576	44%	0.439	S	S	*	.	H	α-helix	trans	-57.1	-45.1	175	-171.9	85.5	0	0	0	111.6	D148 K154 Q155 Q156	D148-L152 WeakPolarHBondContact O-CB 3.4Å; D148-L152 PolarHBondContact O-N 3.49Å; L152-K154 VanDerWaalsContact C-N 3.33Å; L152-K154 PolarHBondContact O-N 3.3Å; L152-Q155 PolarHBondContact O-N 2.89Å; L152-Q156 WeakPolarHBondContact O-CG 3.22Å; L152-Q156 PolarHBondContact O-N 3.44Å
153	A	83.6	Confident	86.1	Confident	43 Å²	43	89.2 Å²	89.2	36%	0.355	45%	0.453	S	S	.	.	H	α-helix	trans	-65.8	-37.1	178.9	0	0	0	0	0	112	T149 L150 L151 C157	T149-A153 WeakPolarHBondContact O-CB 3.45Å; T149-A153 PolarHBondContact O-N 2.85Å; L150-A153 PolarHBondContact O-N 2.74Å; L151-A153 VanDerWaalsContact C-N 3.31Å; L151-A153 PolarHBondContact O-N 2.85Å; A153-C157 PolarHBondContact O-N 3.06Å; A153-C157 VanDerWaalsContact O-N 3.11Å; A153-C157 PolarHBondContact O-SG 2.66Å
154	K	86.4	Confident	86.3	Confident	106 Å²	106	92.9 Å²	92.9	46%	0.461	47%	0.468	S	S	.	.	H	α-helix	trans	-69.3	-41	175.8	-75.4	-65.9	-173	174.2	0	112.2	L150 L151 L152 Q156 C157 L158	L150-K154 WeakPolarHBondContact O-CG 3.21Å; L150-K154 PolarHBondContact O-N 3Å; L151-K154 PolarHBondContact O-N 3.09Å; L151-K154 VanDerWaalsContact O-N 3.16Å; L152-K154 VanDerWaalsContact C-N 3.33Å; L152-K154 PolarHBondContact O-N 3.3Å; K154-Q156 VanDerWaalsContact C-N 3.33Å; K154-Q156 PolarHBondContact O-N 3.45Å; K154-C157 WeakPolarHBondContact O-CB 3.36Å; K154-C157 PolarHBondContact O-N 3.21Å; K154-C157 VanDerWaalsContact O-N 3.14Å; K154-L158 PolarHBondContact O-N 3.29Å
155	Q	89.2	Confident	86.4	Confident	96 Å²	96	91.5 Å²	91.5	45%	0.449	46%	0.463	S	S	.	.	H	α-helix	trans	-58.6	-45.1	174.2	-176.2	58.2	43.8	0	0	111.4	L151 L152 C157 L158 E159	L151-Q155 WeakPolarHBondContact O-CB 3.45Å; L151-Q155 PolarHBondContact O-N 2.88Å; L152-Q155 PolarHBondContact O-N 2.89Å; Q155-C157 VanDerWaalsContact C-N 3.32Å; Q155-C157 PolarHBondContact O-N 3.36Å; Q155-L158 WeakPolarHBondContact O-CB 3.3Å; Q155-L158 PolarHBondContact O-N 2.79Å; Q155-E159 PolarHBondContact NE2-OE1 3.34Å; Q155-E159 VanDerWaalsContact NE2-OE1 3.14Å; Q155-E159 WeakPolarHBondContact O-CG 3.35Å; Q155-E159 PolarHBondContact O-N 3.44Å
156	Q	86.1	Confident	86.7	Confident	117 Å²	117	90.9 Å²	90.9	55%	0.547	46%	0.458	S	S	.	.	H	α-helix	trans	-63.5	-36.2	175.2	-72.3	176.2	-12.2	0	0	113.1	L152 K154 F160	L152-Q156 WeakPolarHBondContact O-CG 3.22Å; L152-Q156 PolarHBondContact O-N 3.44Å; K154-Q156 VanDerWaalsContact C-N 3.33Å; K154-Q156 PolarHBondContact O-N 3.45Å; Q156-F160 WeakPolarHBondContact O-CB 3.4Å; Q156-F160 PolarHBondContact O-N 3.27Å; Q156-F160 VanDerWaalsContact O-N 3.13Å
157	C	87.8	Confident	86.9	Confident	68 Å²	68	94.1 Å²	94.1	46%	0.459	48%	0.48	S	S	.	.	H	α-helix	trans	-67.3	-39.9	175	-66.1	0	0	0	0	111.4	A153 K154 Q155 F160 Q161	A153-C157 PolarHBondContact O-N 3.06Å; A153-C157 VanDerWaalsContact O-N 3.11Å; A153-C157 PolarHBondContact O-SG 2.66Å; K154-C157 WeakPolarHBondContact O-CB 3.36Å; K154-C157 PolarHBondContact O-N 3.21Å; K154-C157 VanDerWaalsContact O-N 3.14Å; Q155-C157 VanDerWaalsContact C-N 3.32Å; Q155-C157 PolarHBondContact O-N 3.36Å; C157-F160 PolarHBondContact O-N 3.1Å; C157-Q161 WeakPolarHBondContact O-CB 3.45Å; C157-Q161 VanDerWaalsContact O-CG 3.32Å; C157-Q161 WeakPolarHBondContact O-CG 3.25Å; C157-Q161 PolarHBondContact O-N 3.1Å
158	L	89.2	Confident	87	Confident	77 Å²	77	96.8 Å²	96.8	40%	0.403	49%	0.49	S	S	.	.	H	α-helix	trans	-63	-47.6	177.4	-173.7	69	0	0	0	110.8	K154 Q155 F160 Q161 E162	K154-L158 PolarHBondContact O-N 3.29Å; Q155-L158 WeakPolarHBondContact O-CB 3.3Å; Q155-L158 PolarHBondContact O-N 2.79Å; L158-F160 VanDerWaalsContact C-N 3.31Å; L158-F160 PolarHBondContact O-N 3.47Å; L158-Q161 PolarHBondContact O-N 3.49Å; L158-Q161 VanDerWaalsContact O-N 3.16Å; L158-E162 WeakPolarHBondContact O-CG 3.14Å; L158-E162 PolarHBondContact O-N 3.39Å
159	E	88.4	Confident	87.2	Confident	104 Å²	104	99.3 Å²	99.3	49%	0.486	50%	0.499	S	S	.	.	H	α-helix	trans	-58	-42.4	176.5	-74	167.4	-162.9	0	0	112.3	Q155 E162 E163	Q155-E159 PolarHBondContact NE2-OE1 3.34Å; Q155-E159 VanDerWaalsContact NE2-OE1 3.14Å; Q155-E159 WeakPolarHBondContact O-CG 3.35Å; Q155-E159 PolarHBondContact O-N 3.44Å; E159-E162 PolarHBondContact O-N 2.96Å; E159-E163 PolarHBondContact O-N 3.31Å
160	F	87.5	Confident	87.4	Confident	132 Å²	132	102.6 Å²	102.6	58%	0.579	51%	0.508	S	S	*	.	H	α-helix	trans	-64.7	-43.1	175.9	-179.5	-94.3	0	0	0	112.2	Q156 C157 L158 E163 E164	Q156-F160 WeakPolarHBondContact O-CB 3.4Å; Q156-F160 PolarHBondContact O-N 3.27Å; Q156-F160 VanDerWaalsContact O-N 3.13Å; C157-F160 PolarHBondContact O-N 3.1Å; L158-F160 VanDerWaalsContact C-N 3.31Å; L158-F160 PolarHBondContact O-N 3.47Å; F160-E163 PolarHBondContact O-N 3.23Å; F160-E164 PolarHBondContact O-N 3.42Å
161	Q	88.9	Confident	87.6	Confident	112 Å²	112	106.3 Å²	106.3	52%	0.523	52%	0.519	S	S	.	.	H	α-helix	trans	-65.6	-38.7	177.1	-75.8	178.8	-31.3	0	0	111.9	C157 L158 E164 M165	C157-Q161 WeakPolarHBondContact O-CB 3.45Å; C157-Q161 VanDerWaalsContact O-CG 3.32Å; C157-Q161 WeakPolarHBondContact O-CG 3.25Å; C157-Q161 PolarHBondContact O-N 3.1Å; L158-Q161 PolarHBondContact O-N 3.49Å; L158-Q161 VanDerWaalsContact O-N 3.16Å; Q161-E164 PolarHBondContact O-N 3.36Å; Q161-M165 WeakPolarHBondContact O-CB 3.38Å; Q161-M165 VanDerWaalsContact O-CG 3.27Å; Q161-M165 WeakPolarHBondContact O-CG 3.39Å; Q161-M165 PolarHBondContact O-N 2.94Å
162	E	89.9	Confident	87.6	Confident	92 Å²	92	105.5 Å²	105.5	43%	0.43	52%	0.515	S	S	.	.	H	α-helix	trans	-64.1	-39.4	174.5	-74.3	178.6	-176.8	0	0	112.1	L158 E159 K166	L158-E162 WeakPolarHBondContact O-CG 3.14Å; L158-E162 PolarHBondContact O-N 3.39Å; E159-E162 PolarHBondContact O-N 2.96Å; E162-K166 WeakPolarHBondContact O-CD 3.5Å; E162-K166 VanDerWaalsContact O-CG 3.23Å; E162-K166 WeakPolarHBondContact O-CG 3.28Å; E162-K166 PolarHBondContact O-N 3.08Å
163	E	88.3	Confident	87.6	Confident	127 Å²	127	103.9 Å²	103.9	59%	0.593	51%	0.512	S	S	*	.	H	α-helix	trans	-65.5	-43.3	174.4	-171	172.3	-163.5	0	0	111.6	E159 F160 K166 C167	E159-E163 PolarHBondContact O-N 3.31Å; F160-E163 PolarHBondContact O-N 3.23Å; E163-K166 PolarHBondContact O-N 2.74Å; E163-C167 PolarHBondContact O-N 2.79Å; E163-C167 PolarHBondContact O-SG 2.99Å; E163-C167 VanDerWaalsContact O-SG 3.4Å
164	E	86.5	Confident	87.9	Confident	100 Å²	100	108 Å²	108	47%	0.467	52%	0.519	S	S	.	.	H	α-helix	trans	-60.9	-46.7	174.6	-176	174.1	-162.9	0	0	111.7	F160 Q161 K166 C167 L168	F160-E164 PolarHBondContact O-N 3.42Å; Q161-E164 PolarHBondContact O-N 3.36Å; E164-K166 VanDerWaalsContact C-N 3.32Å; E164-K166 PolarHBondContact O-N 2.91Å; E164-C167 WeakPolarHBondContact O-CB 3.48Å; E164-C167 PolarHBondContact O-N 3.35Å; E164-C167 VanDerWaalsContact O-N 3.14Å; E164-L168 HydrophobicContact CG-CD1 4.21Å; E164-L168 WeakPolarHBondContact O-CG 3.26Å; E164-L168 PolarHBondContact O-N 3.4Å
165	M	86.2	Confident	87.9	Confident	124 Å²	124	106.3 Å²	106.3	61%	0.611	52%	0.515	S	S	*	.	H	α-helix	trans	-59.9	-40.8	176.4	-75.4	-61.2	-63.2	0	0	111.9	Q161 L168 Q169	Q161-M165 WeakPolarHBondContact O-CB 3.38Å; Q161-M165 VanDerWaalsContact O-CG 3.27Å; Q161-M165 WeakPolarHBondContact O-CG 3.39Å; Q161-M165 PolarHBondContact O-N 2.94Å; M165-L168 PolarHBondContact O-N 3.49Å; M165-Q169 VanDerWaalsContact O-CB 3.27Å; M165-Q169 WeakPolarHBondContact O-CB 3.42Å; M165-Q169 PolarHBondContact O-N 2.92Å
166	K	89.4	Confident	87.9	Confident	131 Å²	131	107.4 Å²	107.4	57%	0.57	52%	0.524	S	S	*	.	H	α-helix	trans	-62.3	-43.2	173.9	-74	165.9	-173.6	165.2	0	111.8	E162 E163 E164 Q169 F170	E162-K166 WeakPolarHBondContact O-CD 3.5Å; E162-K166 VanDerWaalsContact O-CG 3.23Å; E162-K166 WeakPolarHBondContact O-CG 3.28Å; E162-K166 PolarHBondContact O-N 3.08Å; E163-K166 PolarHBondContact O-N 2.74Å; E164-K166 VanDerWaalsContact C-N 3.32Å; E164-K166 PolarHBondContact O-N 2.91Å; K166-Q169 PolarHBondContact O-N 3.09Å; K166-F170 WeakPolarHBondContact O-CB 3.32Å; K166-F170 PolarHBondContact O-N 3.16Å
167	C	85.1	Confident	88	Confident	80 Å²	80	104.7 Å²	104.7	54%	0.541	52%	0.518	S	S	.	.	H	α-helix	trans	-63.1	-42.7	176	-71.1	0	0	0	0	112.3	E163 E164 F170 Y171	E163-C167 PolarHBondContact O-N 2.79Å; E163-C167 PolarHBondContact O-SG 2.99Å; E163-C167 VanDerWaalsContact O-SG 3.4Å; E164-C167 WeakPolarHBondContact O-CB 3.48Å; E164-C167 PolarHBondContact O-N 3.35Å; E164-C167 VanDerWaalsContact O-N 3.14Å; C167-F170 PolarHBondContact O-N 3.16Å; C167-Y171 PolarHBondContact O-N 3.49Å
168	L	86.6	Confident	88	Confident	87 Å²	87	103.5 Å²	103.5	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-66.2	-43	177.1	-69.7	174.5	0	0	0	111.5	E164 M165 F170 Y171 L172	E164-L168 HydrophobicContact CG-CD1 4.21Å; E164-L168 WeakPolarHBondContact O-CG 3.26Å; E164-L168 PolarHBondContact O-N 3.4Å; M165-L168 PolarHBondContact O-N 3.49Å; L168-F170 VanDerWaalsContact C-N 3.32Å; L168-F170 PolarHBondContact O-N 3.16Å; L168-Y171 PolarHBondContact O-N 3.35Å; L168-Y171 VanDerWaalsContact O-N 3.14Å; L168-L172 WeakPolarHBondContact O-CG 3.36Å; L168-L172 PolarHBondContact O-N 3.41Å
169	Q	90.4	Very high	87.8	Confident	137 Å²	137	101.9 Å²	101.9	64%	0.64	51%	0.507	S	S	*	.	H	α-helix	trans	-61	-41.2	175.8	-171.7	177.1	10.8	0	0	111.6	M165 K166 L172 S173	M165-Q169 VanDerWaalsContact O-CB 3.27Å; M165-Q169 WeakPolarHBondContact O-CB 3.42Å; M165-Q169 PolarHBondContact O-N 2.92Å; K166-Q169 PolarHBondContact O-N 3.09Å; Q169-L172 PolarHBondContact O-N 2.97Å; Q169-S173 PolarHBondContact O-N 3.43Å
170	F	87.5	Confident	87.7	Confident	137 Å²	137	98.8 Å²	98.8	60%	0.601	50%	0.502	S	S	*	.	H	α-helix	trans	-61.8	-43.5	172.9	177.3	-94.7	0	0	0	111.9	K166 C167 L168 S173 Y174	K166-F170 WeakPolarHBondContact O-CB 3.32Å; K166-F170 PolarHBondContact O-N 3.16Å; C167-F170 PolarHBondContact O-N 3.16Å; L168-F170 VanDerWaalsContact C-N 3.32Å; L168-F170 PolarHBondContact O-N 3.16Å; F170-S173 PolarHBondContact O-N 3.5Å; F170-Y174 PolarHBondContact O-N 3.04Å
171	Y	87.1	Confident	87.7	Confident	134 Å²	134	97.6 Å²	97.6	53%	0.525	50%	0.497	S	S	.	.	H	α-helix	trans	-65.6	-40.1	178.4	-174.4	-112.3	0	0	0	112.5	C167 L168 Y174 L175	C167-Y171 PolarHBondContact O-N 3.49Å; L168-Y171 PolarHBondContact O-N 3.35Å; L168-Y171 VanDerWaalsContact O-N 3.14Å; Y171-Y174 HydrophobicContact CD2-CD1 4.44Å; Y171-Y174 HydrophobicContact CE2-CD1 4.36Å; Y171-Y174 WeakPolarHBondContact O-CB 3.41Å; Y171-Y174 PolarHBondContact O-N 2.91Å; Y171-L175 HydrophobicContact CD1-CD1 3.95Å; Y171-L175 HydrophobicContact CD1-CG 4.38Å; Y171-L175 HydrophobicContact CE1-CD1 3.52Å; Y171-L175 HydrophobicContact CE1-CD2 4.45Å; Y171-L175 HydrophobicContact CE1-CG 4.06Å; Y171-L175 HydrophobicContact CE2-CD2 4.48Å; Y171-L175 HydrophobicContact CE2-CG 4.49Å; Y171-L175 WeakPolarHBondContact O-CG 3.34Å; Y171-L175 PolarHBondContact O-N 3.3Å
172	L	87.4	Confident	87.4	Confident	102 Å²	102	96.8 Å²	96.8	53%	0.534	50%	0.495	S	S	.	.	H	α-helix	trans	-60.6	-47.1	173.6	-72.2	171.5	0	0	0	111.3	L168 Q169 Y174 L175 D176	L168-L172 WeakPolarHBondContact O-CG 3.36Å; L168-L172 PolarHBondContact O-N 3.41Å; Q169-L172 PolarHBondContact O-N 2.97Å; L172-Y174 VanDerWaalsContact C-N 3.31Å; L172-Y174 PolarHBondContact O-N 3.48Å; L172-L175 WeakPolarHBondContact O-CB 3.48Å; L172-L175 PolarHBondContact O-N 2.94Å; L172-L175 VanDerWaalsContact O-N 3.09Å; L172-D176 PolarHBondContact O-N 3.18Å
173	S	88.9	Confident	87.1	Confident	76 Å²	76	97.6 Å²	97.6	53%	0.531	50%	0.499	S	S	.	.	H	α-helix	trans	-59.7	-39.8	175	175.8	0	0	0	0	112.7	Q169 F170 D176 S177	Q169-S173 PolarHBondContact O-N 3.43Å; F170-S173 PolarHBondContact O-N 3.5Å; S173-D176 PolarHBondContact O-N 2.9Å; S173-S177 WeakPolarHBondContact O-CB 3.47Å; S173-S177 PolarHBondContact O-N 2.94Å
174	Y	88.7	Confident	86.7	Confident	128 Å²	128	94.3 Å²	94.3	50%	0.502	49%	0.494	S	S	.	.	H	α-helix	trans	-61.5	-43.2	173.4	171	-95.1	0	0	0	112.2	F170 Y171 L172 T178	F170-Y174 PolarHBondContact O-N 3.04Å; Y171-Y174 HydrophobicContact CD2-CD1 4.44Å; Y171-Y174 HydrophobicContact CE2-CD1 4.36Å; Y171-Y174 WeakPolarHBondContact O-CB 3.41Å; Y171-Y174 PolarHBondContact O-N 2.91Å; L172-Y174 VanDerWaalsContact C-N 3.31Å; L172-Y174 PolarHBondContact O-N 3.48Å; Y174-T178 WeakPolarHBondContact O-CB 3.42Å; Y174-T178 PolarHBondContact O-N 2.87Å; Y174-T178 PolarHBondContact O-OG1 2.95Å
175	L	86.2	Confident	86.5	Confident	72 Å²	72	95.5 Å²	95.5	38%	0.377	50%	0.497	S	S	.	.	H	α-helix	trans	-64.9	-44.8	176.8	-70.4	179.3	0	0	0	111.4	Y171 L172 S177 T178 A179	Y171-L175 HydrophobicContact CD1-CD1 3.95Å; Y171-L175 HydrophobicContact CD1-CG 4.38Å; Y171-L175 HydrophobicContact CE1-CD1 3.52Å; Y171-L175 HydrophobicContact CE1-CD2 4.45Å; Y171-L175 HydrophobicContact CE1-CG 4.06Å; Y171-L175 HydrophobicContact CE2-CD2 4.48Å; Y171-L175 HydrophobicContact CE2-CG 4.49Å; Y171-L175 WeakPolarHBondContact O-CG 3.34Å; Y171-L175 PolarHBondContact O-N 3.3Å; L172-L175 WeakPolarHBondContact O-CB 3.48Å; L172-L175 PolarHBondContact O-N 2.94Å; L172-L175 VanDerWaalsContact O-N 3.09Å; L175-S177 PolarHBondContact O-N 3.28Å; L175-T178 PolarHBondContact O-N 3.42Å; L175-T178 VanDerWaalsContact O-N 3.16Å; L175-A179 WeakPolarHBondContact O-CB 3.49Å; L175-A179 PolarHBondContact O-N 3.37Å
176	D	90	Very high	86	Confident	119 Å²	119	94.1 Å²	94.1	64%	0.636	49%	0.492	S	S	*	.	H	α-helix	trans	-62.1	-44	177.7	-73.5	-21.6	0	0	0	111.7	L172 S173 T178 A179 G180	L172-D176 PolarHBondContact O-N 3.18Å; S173-D176 PolarHBondContact O-N 2.9Å; D176-T178 VanDerWaalsContact C-N 3.3Å; D176-T178 PolarHBondContact O-N 3.09Å; D176-A179 PolarHBondContact O-N 3.03Å; D176-G180 PolarHBondContact O-N 3.26Å
177	S	88.1	Confident	85.5	Confident	59 Å²	59	94.4 Å²	94.4	41%	0.413	49%	0.493	S	S	.	.	H	α-helix	trans	-61.5	-39.6	174.5	-172.8	0	0	0	0	112	S173 L175 K181	S173-S177 WeakPolarHBondContact O-CB 3.47Å; S173-S177 PolarHBondContact O-N 2.94Å; L175-S177 PolarHBondContact O-N 3.28Å; S177-K181 VanDerWaalsContact O-CG 3.3Å; S177-K181 WeakPolarHBondContact O-CG 3.38Å; S177-K181 PolarHBondContact O-N 3.47Å
178	T	86.9	Confident	85.1	Confident	43 Å²	43	93.9 Å²	93.9	26%	0.264	49%	0.49	S	S	.	.	H	α-helix	trans	-70.4	-42.2	179	-57.4	0	0	0	0	111.2	Y174 L175 D176 K181 I182	Y174-T178 WeakPolarHBondContact O-CB 3.42Å; Y174-T178 PolarHBondContact O-N 2.87Å; Y174-T178 PolarHBondContact O-OG1 2.95Å; L175-T178 PolarHBondContact O-N 3.42Å; L175-T178 VanDerWaalsContact O-N 3.16Å; D176-T178 VanDerWaalsContact C-N 3.3Å; D176-T178 PolarHBondContact O-N 3.09Å; T178-K181 PolarHBondContact O-N 3.36Å; T178-I182 HydrophobicContact CG2-CD1 4.11Å; T178-I182 VanDerWaalsContact O-CG1 3.32Å; T178-I182 WeakPolarHBondContact O-CG1 3.34Å; T178-I182 PolarHBondContact O-N 3.45Å
179	A	85.5	Confident	84.3	Confident	44 Å²	44	97 Å²	97	36%	0.364	50%	0.5	S	S	.	.	H	α-helix	trans	-59.3	-48.4	173.8	0	0	0	0	0	110.8	L175 D176 K181 I182 E183	L175-A179 WeakPolarHBondContact O-CB 3.49Å; L175-A179 PolarHBondContact O-N 3.37Å; D176-A179 PolarHBondContact O-N 3.03Å; A179-K181 VanDerWaalsContact C-N 3.34Å; A179-K181 PolarHBondContact O-N 3.35Å; A179-I182 PolarHBondContact O-N 3.28Å; A179-I182 VanDerWaalsContact O-N 3.09Å; A179-E183 WeakPolarHBondContact O-CG 3.47Å; A179-E183 PolarHBondContact O-N 3.38Å
180	G	86.8	Confident	83.1	Confident	38 Å²	38	96.8 Å²	96.8	39%	0.392	50%	0.499	S	S	.	.	H	α-helix	trans	-58.7	-40.2	176.1	0	0	0	0	0	113.4	D176 E183 A184	D176-G180 PolarHBondContact O-N 3.26Å; G180-E183 PolarHBondContact O-N 3.1Å; G180-A184 WeakPolarHBondContact O-CB 3.37Å; G180-A184 PolarHBondContact O-N 3.38Å
181	K	86.9	Confident	81.8	Confident	108 Å²	108	92.9 Å²	92.9	47%	0.47	49%	0.492	S	S	.	.	H	α-helix	trans	-64.8	-39.8	174.3	-74.1	168.5	-172.8	167.8	0	112.4	S177 T178 A179 K185	S177-K181 VanDerWaalsContact O-CG 3.3Å; S177-K181 WeakPolarHBondContact O-CG 3.38Å; S177-K181 PolarHBondContact O-N 3.47Å; T178-K181 PolarHBondContact O-N 3.36Å; A179-K181 VanDerWaalsContact C-N 3.34Å; A179-K181 PolarHBondContact O-N 3.35Å; K181-K185 WeakPolarHBondContact O-CB 3.38Å; K181-K185 WeakPolarHBondContact O-CG 3.3Å; K181-K185 PolarHBondContact O-N 3.33Å
182	I	83.7	Confident	80.4	Confident	94 Å²	94	94 Å²	94	48%	0.482	50%	0.5	S	S	.	.	H	α-helix	trans	-66.8	-45.4	177.4	-68.7	167.1	0	0	0	109.9	T178 A179 A184 K185 L186	T178-I182 HydrophobicContact CG2-CD1 4.11Å; T178-I182 VanDerWaalsContact O-CG1 3.32Å; T178-I182 WeakPolarHBondContact O-CG1 3.34Å; T178-I182 PolarHBondContact O-N 3.45Å; A179-I182 PolarHBondContact O-N 3.28Å; A179-I182 VanDerWaalsContact O-N 3.09Å; I182-A184 PolarHBondContact O-N 3.38Å; I182-K185 PolarHBondContact O-N 3.44Å; I182-L186 HydrophobicContact CG2-CD1 3.96Å; I182-L186 HydrophobicContact CG2-CG 4.49Å; I182-L186 WeakPolarHBondContact O-CG 3.43Å; I182-L186 PolarHBondContact O-N 3.3Å
183	E	82.8	Confident	78.7	Confident	110 Å²	110	97 Å²	97	51%	0.514	51%	0.509	S	S	.	.	H	α-helix	trans	-60.6	-43.4	176.3	-72.9	-172.2	-175.5	0	0	112.3	A179 G180 K185 L186 K187	A179-E183 WeakPolarHBondContact O-CG 3.47Å; A179-E183 PolarHBondContact O-N 3.38Å; G180-E183 PolarHBondContact O-N 3.1Å; E183-K185 PolarHBondContact O-N 3.04Å; E183-L186 PolarHBondContact O-N 2.94Å; E183-K187 WeakPolarHBondContact O-CB 3.49Å; E183-K187 WeakPolarHBondContact O-CG 3.32Å; E183-K187 PolarHBondContact O-N 3.29Å
184	A	80.1	Confident	76.9	Confident	58 Å²	58	99.5 Å²	99.5	48%	0.479	52%	0.515	S	S	.	.	H	α-helix	trans	-63.5	-38.9	175.7	0	0	0	0	0	112.4	G180 I182 S188	G180-A184 WeakPolarHBondContact O-CB 3.37Å; G180-A184 PolarHBondContact O-N 3.38Å; I182-A184 PolarHBondContact O-N 3.38Å; A184-S188 WeakPolarHBondContact O-CB 3.4Å; A184-S188 PolarHBondContact O-N 2.97Å; A184-S188 PolarHBondContact O-OG 2.98Å
185	K	81.6	Confident	75.1	Confident	124 Å²	124	101.5 Å²	101.5	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-66.1	-36.4	173.5	-77.2	178.8	-179.8	-179.9	0	112.2	K181 I182 E183 S188 K189	K181-K185 WeakPolarHBondContact O-CB 3.38Å; K181-K185 WeakPolarHBondContact O-CG 3.3Å; K181-K185 PolarHBondContact O-N 3.33Å; I182-K185 PolarHBondContact O-N 3.44Å; E183-K185 PolarHBondContact O-N 3.04Å; K185-S188 WeakPolarHBondContact CA-OG 3.4Å; K185-S188 PolarHBondContact O-OG 3.48Å; K185-K189 WeakPolarHBondContact O-CB 3.47Å; K185-K189 WeakPolarHBondContact O-CG 3.39Å; K185-K189 PolarHBondContact O-N 3.2Å; K185-K189 VanDerWaalsContact O-N 3.1Å
186	L	75.9	Confident	73.1	Confident	96 Å²	96	101.6 Å²	101.6	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-68.8	-47.1	175.8	-74.7	167	0	0	0	111.3	I182 E183 S188 K189 Q190	I182-L186 HydrophobicContact CG2-CD1 3.96Å; I182-L186 HydrophobicContact CG2-CG 4.49Å; I182-L186 WeakPolarHBondContact O-CG 3.43Å; I182-L186 PolarHBondContact O-N 3.3Å; E183-L186 PolarHBondContact O-N 2.94Å; L186-S188 PolarHBondContact O-N 3.12Å; L186-K189 PolarHBondContact O-N 3.04Å; L186-Q190 WeakPolarHBondContact O-CG 3.35Å; L186-Q190 PolarHBondContact O-N 3.43Å
187	K	79.9	Confident	70.8	Confident	137 Å²	137	101 Å²	101	60%	0.596	53%	0.534	S	S	*	.	H	α-helix	trans	-60.2	-43.2	176.8	-72	174.2	-178.9	171.6	0	111.9	E183 Q190 A191	E183-K187 WeakPolarHBondContact O-CB 3.49Å; E183-K187 WeakPolarHBondContact O-CG 3.32Å; E183-K187 PolarHBondContact O-N 3.29Å; K187-Q190 PolarHBondContact O-N 3.44Å; K187-A191 PolarHBondContact O-N 3.44Å
188	S	75.1	Confident	68.5	Low	68 Å²	68	106.4 Å²	106.4	48%	0.476	55%	0.553	S	S	.	*	H	α-helix	trans	-68.2	-37.3	177.5	55.5	0	0	0	0	113.7	A184 K185 L186 A191 F192	A184-S188 WeakPolarHBondContact O-CB 3.4Å; A184-S188 PolarHBondContact O-N 2.97Å; A184-S188 PolarHBondContact O-OG 2.98Å; K185-S188 WeakPolarHBondContact CA-OG 3.4Å; K185-S188 PolarHBondContact O-OG 3.48Å; L186-S188 PolarHBondContact O-N 3.12Å; S188-A191 PolarHBondContact O-N 2.96Å; S188-F192 PolarHBondContact O-N 3.41Å
189	K	69.9	Low	66	Low	154 Å²	154	113.5 Å²	113.5	67%	0.67	58%	0.58	S	S	*	*	H	α-helix	trans	-64.6	-39.1	172.9	-79.3	-179.3	178.4	-177.5	0	112.3	K185 L186 F192 K193	K185-K189 WeakPolarHBondContact O-CB 3.47Å; K185-K189 WeakPolarHBondContact O-CG 3.39Å; K185-K189 PolarHBondContact O-N 3.2Å; K185-K189 VanDerWaalsContact O-N 3.1Å; L186-K189 PolarHBondContact O-N 3.04Å; K189-F192 PolarHBondContact O-N 3.14Å; K189-K193 PolarHBondContact O-N 3.1Å
190	Q	66.3	Low	63.4	Low	132 Å²	132	117.1 Å²	117.1	62%	0.617	60%	0.598	S	S	*	*	H	α-helix	trans	-64.9	-42	174.8	-71.9	175.2	-2.9	0	0	111.4	L186 K187 F192 K193 L194	L186-Q190 WeakPolarHBondContact O-CG 3.35Å; L186-Q190 PolarHBondContact O-N 3.43Å; K187-Q190 PolarHBondContact O-N 3.44Å; Q190-F192 VanDerWaalsContact C-N 3.34Å; Q190-F192 PolarHBondContact O-N 2.86Å; Q190-K193 PolarHBondContact O-N 3.46Å; Q190-L194 PolarHBondContact O-N 2.97Å
191	A	59.4	Low	60.7	Low	54 Å²	54	125.2 Å²	125.2	45%	0.446	62%	0.622	S	S	.	*	H	α-helix	trans	-64.6	-33.2	176.3	0	0	0	0	0	113.5	K187 S188	K187-A191 PolarHBondContact O-N 3.44Å; S188-A191 PolarHBondContact O-N 2.96Å
192	F	57.4	Low	57.8	Low	159 Å²	159	123.6 Å²	123.6	70%	0.697	64%	0.636	S	S	*	*	H	α-helix	trans	-72.8	-33.3	176.3	-150.2	-91	0	0	0	112.3	S188 K189 Q190 L194 K195 S196	S188-F192 PolarHBondContact O-N 3.41Å; K189-F192 PolarHBondContact O-N 3.14Å; Q190-F192 VanDerWaalsContact C-N 3.34Å; Q190-F192 PolarHBondContact O-N 2.86Å; F192-L194 VanDerWaalsContact C-N 3.33Å; F192-L194 PolarHBondContact O-N 2.79Å; F192-K195 PolarHBondContact O-N 3.35Å; F192-S196 PolarHBondContact O-N 3.38Å
193	K	52.3	Low	55.1	Low	164 Å²	164	128.8 Å²	128.8	71%	0.713	66%	0.655	S	S	*	*	H	α-helix	trans	-67.4	-31	176.1	-126.9	177.2	-176.7	-178.7	0	112.6	K189 Q190 K195 T197	K189-K193 PolarHBondContact O-N 3.1Å; Q190-K193 PolarHBondContact O-N 3.46Å; K193-K195 VanDerWaalsContact C-N 3.34Å; K193-T197 PolarHBondContact O-OG1 3.19Å; K193-T197 VanDerWaalsContact O-OG1 3.12Å
194	L	51.5	Low	52.4	Low	129 Å²	129	131 Å²	131	68%	0.675	67%	0.67	S	S	*	*	H	α-helix	trans	-71.8	-25.2	173.8	-108.6	83.4	0	0	0	113.4	Q190 F192 T197	Q190-L194 PolarHBondContact O-N 2.97Å; F192-L194 VanDerWaalsContact C-N 3.33Å; F192-L194 PolarHBondContact O-N 2.79Å; L194-T197 PolarHBondContact O-OG1 3.4Å
195	K	50.7	Low	50.5	Low	169 Å²	169	133.1 Å²	133.1	74%	0.735	68%	0.68	S	S	*	*	H	α-helix	trans	-88.1	-22.9	-177.3	-69.9	-177.1	-179.4	-179.5	0	113.8	F192 K193	F192-K195 PolarHBondContact O-N 3.35Å; K193-K195 VanDerWaalsContact C-N 3.34Å
196	S	44.9	Very low	47.8	Very low	75 Å²	75	132.6 Å²	132.6	52%	0.524	69%	0.692	S	S	.	*	H	α-helix	trans	-85.9	-19.6	178	57.5	0	0	0	0	114	F192	F192-S196 PolarHBondContact O-N 3.38Å
197	T	41	Very low	45.4	Very low	105 Å²	105	134.6 Å²	134.6	64%	0.644	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-11.6	176.6	33.2	0	0	0	0	114.6	K193 L194	K193-T197 PolarHBondContact O-OG1 3.19Å; K193-T197 VanDerWaalsContact O-OG1 3.12Å; L194-T197 PolarHBondContact O-OG1 3.4Å
198	Q	40.2	Very low	42.8	Very low	173 Å²	173	136.6 Å²	136.6	81%	0.808	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	9.4	179	-73	-172.4	2.5	0	0	115.3
199	K	35.2	Very low	40.2	Very low	193 Å²	193	142.7 Å²	142.7	84%	0.839	74%	0.741	S	S	*	*	S	Bend	trans	-120.8	39.8	178.2	-113.7	-175.2	-173.4	177.9	0	114.5
200	T	30.6	Very low	38.2	Very low	120 Å²	120	143.4 Å²	143.4	74%	0.736	75%	0.751	S	S	*	*	S	Bend	trans	-145	136.7	155.2	46.1	0	0	0	0	111.7
201	K	30	Very low	36	Very low	208 Å²	208	142 Å²	142	90%	0.904	75%	0.751	S	S	*	*			trans	88.6	72.5	171.2	-55.8	-175.2	179.4	179.1	0	117.3
202	G	26.3	Very low	34.2	Very low	74 Å²	74	147.8 Å²	147.8	76%	0.763	77%	0.769	S	S	*	*			trans	-81.4	159	138	0	0	0	0	0	112
203	K	27	Very low	32.7	Very low	203 Å²	203	145.5 Å²	145.5	88%	0.883	77%	0.773	S	S	*	*			trans	91.1	99.2	167.9	-66	-178.4	174.4	178.9	0	118.6
204	N	25.4	Very low	31.3	Very low	155 Å²	155	147.1 Å²	147.1	83%	0.829	78%	0.782	S	S	*	*				49.2	158.2	115.9	-78.2	9	0	0	0	121.1
205	P	40.6	Very low	30.1	Very low	104 Å²	104	145 Å²	145	68%	0.675	79%	0.791	S	S	*	*				-137.8	-169.2	-55.6	37.7	-17.2	0	0	0	111.3
206	S	23.9	Very low	28.7	Very low	113 Å²	113	145.7 Å²	145.7	79%	0.79	80%	0.798	S	S	*	*			trans	69.5	112.9	161.3	65.1	0	0	0	0	118.9
207	C	26.7	Very low	27.6	Very low	137 Å²	137	147.7 Å²	147.7	93%	0.926	81%	0.806	S	S	*	*			trans	-145.4	128.6	142.2	-155.9	0	0	0	0	109.7
208	E	24.6	Very low	26.8	Very low	179 Å²	179	148 Å²	148	84%	0.836	81%	0.813	S	S	*	*			trans	-77.8	156.6	-175	-75.8	168.8	125.7	0	0	113
209	K	20.3	Very low	25.9	Very low	196 Å²	196	148.2 Å²	148.2	85%	0.852	81%	0.814	S	S	*	*			trans	-24.2	133.1	157.7	-72.4	169.2	171.2	177.3	0	115.2
210	I	27.8	Very low	25.5	Very low	169 Å²	169	147.1 Å²	147.1	87%	0.867	82%	0.817	S	S	*	*			trans	-127.7	125.4	144.6	-61.8	179.3	0	0	0	108.2
211	T	21.3	Very low	25	Very low	103 Å²	103	150 Å²	150	63%	0.632	82%	0.823	S	S	*	*			trans	-86.7	149.5	178.3	40.7	0	0	0	0	112.1
212	E	20.7	Very low	24.7	Very low	176 Å²	176	145.7 Å²	145.7	82%	0.822	82%	0.818	S	S	*	*			trans	56	119.6	140.2	-68	176.2	165.9	0	0	121.3
213	S	25.8	Very low	24.4	Very low	111 Å²	111	147.5 Å²	147.5	78%	0.776	82%	0.815	S	S	*	*				167.8	111.8	118.8	41.1	0	0	0	0	109.6
214	H	23.5	Very low	24	Very low	197 Å²	197	144.7 Å²	144.7	91%	0.912	81%	0.808	S	S	*	*				63.7	109.7	101.3	-82.2	49.4	0	0	0	115.8
215	G	25.8	Very low	23.8	Very low	84 Å²	84	143 Å²	143	87%	0.866	80%	0.803	S	S	*	*			trans	-171.1	95.2	169	0	0	0	0	0	111.8
216	Q	22.2	Very low	22.9	Very low	185 Å²	185	143.5 Å²	143.5	86%	0.864	81%	0.809	S	S	*	*			trans	-76.2	147.2	-178.8	-91.3	175.9	-35.3	0	0	114.4
217	V	21.2	Very low	22.9	Very low	117 Å²	117	143.7 Å²	143.7	71%	0.709	81%	0.811	S	S	*	*			trans	64	116.3	130.9	-176.9	0	0	0	0	119.7
218	S	25	Very low	22.6	Very low	112 Å²	112	146.3 Å²	146.3	78%	0.783	81%	0.809	S	S	*	*				-168.9	122.7	113.2	-87	0	0	0	0	112.3
219	E	19.6	Very low	22.6	Very low	176 Å²	176	145.7 Å²	145.7	82%	0.822	81%	0.812	S	S	*	*			trans	-60	142	155.6	-66	166.1	134	0	0	110.1
220	N	27.1	Very low	22.6	Very low	170 Å²	170	145.4 Å²	145.4	91%	0.909	81%	0.81	S	S	*	*			trans	-155	129.1	140.1	-98.1	-29	0	0	0	110.3
221	Q	20.6	Very low	22.4	Very low	182 Å²	182	144.8 Å²	144.8	85%	0.85	81%	0.807	S	S	*	*			trans	-70.8	172.3	178.6	-71.7	171.1	-19.9	0	0	113
222	S	23.5	Very low	22.3	Very low	116 Å²	116	145.6 Å²	145.6	81%	0.811	81%	0.812	S	S	*	*			trans	91.2	146.4	162.5	77.6	0	0	0	0	116
223	T	19.7	Very low	22.5	Very low	113 Å²	113	145 Å²	145	69%	0.693	81%	0.813	S	S	*	*			cis	176.3	122.3	-18.6	-84.8	0	0	0	0	102.5
224	I	19.7	Very low	22.3	Very low	143 Å²	143	145.8 Å²	145.8	73%	0.733	81%	0.809	S	S	*	*			trans	46.9	112.3	147.8	-41.7	169.7	0	0	0	118.7
225	T	20.8	Very low	22.3	Very low	120 Å²	120	144.5 Å²	144.5	74%	0.736	80%	0.801	S	S	*	*				158	123.4	109.5	38.9	0	0	0	0	111.4
226	S	21.1	Very low	22.3	Very low	114 Å²	114	147.8 Å²	147.8	80%	0.797	80%	0.798	S	S	*	*			trans	16	112	136.6	-26.7	0	0	0	0	118.3
227	S	24.9	Very low	22.4	Very low	118 Å²	118	144.3 Å²	144.3	83%	0.825	79%	0.789	S	S	*	*				-170.8	127.4	124.7	20.1	0	0	0	0	110.5	N229	S227-N229 PolarHBondContact O-N 3.41Å
228	E	20.2	Very low	22.7	Very low	192 Å²	192	145.8 Å²	145.8	90%	0.897	79%	0.793	S	S	*	*			trans	-51.1	128.3	166.1	-62.6	163	135.7	0	0	110.1
229	N	23.6	Very low	22.7	Very low	165 Å²	165	148.1 Å²	148.1	88%	0.882	80%	0.797	S	S	*	*			trans	-144	115	156.1	-112	-17.7	0	0	0	110.9	S227	S227-N229 PolarHBondContact O-N 3.41Å
230	K	21.1	Very low	23.2	Very low	191 Å²	191	147.1 Å²	147.1	83%	0.83	80%	0.797	S	S	*	*			trans	-67.3	122.1	168.6	167	-171.2	-179.8	177.3	0	111.2
231	I	22.1	Very low	23.4	Very low	156 Å²	156	145.4 Å²	145.4	80%	0.8	79%	0.788	S	S	*	*			trans	-153.8	100.6	154	-55.4	-176	0	0	0	106.9
232	V	20.7	Very low	24	Very low	119 Å²	119	141.9 Å²	141.9	72%	0.721	78%	0.779	S	S	*	*				49.2	118.7	101.2	-174.6	0	0	0	0	116
233	L	24	Very low	24.5	Very low	163 Å²	163	142.3 Å²	142.3	85%	0.853	78%	0.777	S	S	*	*			trans	168.8	145.6	149.8	-88.2	151.2	0	0	0	106.1
234	D	22.7	Very low	25.3	Very low	128 Å²	128	141.6 Å²	141.6	68%	0.684	77%	0.773	S	S	*	*			cis	-165.9	166.3	-22.3	-159.5	-7.8	0	0	0	105
235	K	22	Very low	25.9	Very low	171 Å²	171	145.3 Å²	145.3	74%	0.743	78%	0.777	S	S	*	*			trans	-58.6	153.6	-169.5	-59.8	149.5	179	169.1	0	116.7
236	N	26.5	Very low	26.4	Very low	152 Å²	152	145.9 Å²	145.9	81%	0.813	78%	0.776	S	S	*	*			trans	-170.5	110.6	132.3	-83.9	-33.3	0	0	0	108.2
237	V	25.1	Very low	27.1	Very low	112 Å²	112	143.6 Å²	143.6	68%	0.679	76%	0.764	S	S	*	*				70.3	119.6	84.7	171	0	0	0	0	109.7
238	D	26.4	Very low	27.7	Very low	149 Å²	149	144.2 Å²	144.2	80%	0.797	76%	0.758	S	S	*	*			cis	-154.4	154.3	15.9	-87.7	-38.5	0	0	0	110.9
239	D	25.9	Very low	28.4	Very low	160 Å²	160	141.3 Å²	141.3	86%	0.856	75%	0.748	S	S	*	*			trans	-70.7	135.2	168.9	-70.9	-58.2	0	0	0	112.5
240	D	29.9	Very low	29.1	Very low	155 Å²	155	141.5 Å²	141.5	83%	0.829	74%	0.744	S	S	*	*			trans	-146.5	71.5	159.4	-135.1	-3.3	0	0	0	110
241	D	31.2	Very low	29.9	Very low	134 Å²	134	138.7 Å²	138.7	72%	0.717	74%	0.737	S	S	*	*			trans	-115.4	79.2	173.9	-172.7	25.5	0	0	0	110.2
242	T	32.6	Very low	30.9	Very low	108 Å²	108	135 Å²	135	66%	0.663	73%	0.73	S	S	*	*			trans	-135.6	4.9	170.7	49.1	0	0	0	0	116
243	T	34.1	Very low	31.7	Very low	126 Å²	126	136.2 Å²	136.2	77%	0.773	73%	0.732	S	S	*	*	S	Bend	trans	-91.7	0.9	-176.5	56.8	0	0	0	0	116.5
244	V	37.3	Very low	32.6	Very low	98 Å²	98	132.5 Å²	132.5	59%	0.594	71%	0.714	S	S	*	*	S	Bend	trans	-91.9	-22.8	-176.6	-175.9	0	0	0	0	113.1
245	R	32.2	Very low	33.8	Very low	221 Å²	221	130.6 Å²	130.6	83%	0.834	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-23.2	-171	-129.5	169.3	80.2	162.6	3.8	115
246	D	30.4	Very low	35.1	Very low	132 Å²	132	126.8 Å²	126.8	71%	0.706	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-22.2	-177.3	-65.9	-24.7	0	0	0	113.1	N248	D246-N248 PolarHBondContact O-N 3.13Å
247	A	35.7	Very low	36.1	Very low	65 Å²	65	124.1 Å²	124.1	54%	0.537	69%	0.686	S	S	.	*	H	α-helix	trans	-72.7	-26.1	-178.8	0	0	0	0	0	114.1	N249	A247-N249 VanDerWaalsContact C-N 3.35Å
248	N	37.6	Very low	37.2	Very low	131 Å²	131	124.1 Å²	124.1	70%	0.701	68%	0.682	S	S	*	*	H	α-helix	trans	-78.4	-20	-178.1	-74.5	-14.7	0	0	0	113.1	D246	D246-N248 PolarHBondContact O-N 3.13Å
249	N	36.2	Very low	38	Very low	132 Å²	132	122.2 Å²	122.2	71%	0.706	67%	0.672	S	S	*	*	H	α-helix	trans	-92.2	-19.2	-174.2	-147.9	21.8	0	0	0	113.1	A247	A247-N249 VanDerWaalsContact C-N 3.35Å
250	E	37.3	Very low	39.1	Very low	169 Å²	169	118.2 Å²	118.2	79%	0.79	66%	0.656	S	S	*	*	H	α-helix	trans	-86.9	-22.2	-179.8	-141.8	171.8	-163.1	0	0	112.6
251	L	38.8	Very low	39.8	Very low	131 Å²	131	114.3 Å²	114.3	69%	0.686	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-84.5	-16.9	-175.8	-146.2	79.5	0	0	0	114.5	N253	L251-N253 VanDerWaalsContact C-N 3.32Å; L251-N253 PolarHBondContact O-N 3.39Å
252	A	42.5	Very low	40.4	Very low	78 Å²	78	113 Å²	113	65%	0.645	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-77.7	-13.8	-175.2	0	0	0	0	0	114
253	N	37.4	Very low	40.9	Very low	145 Å²	145	111.9 Å²	111.9	78%	0.775	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-116.5	14.3	-169.8	-72.7	-27.9	0	0	0	114.8	L251 S255	L251-N253 VanDerWaalsContact C-N 3.32Å; L251-N253 PolarHBondContact O-N 3.39Å; N253-S255 PolarHBondContact O-N 3Å
254	D	43.6	Very low	41.3	Very low	86 Å²	86	112.7 Å²	112.7	46%	0.46	63%	0.625	S	S	.	*			trans	-85.3	96.3	179.7	-161.5	-14.3	0	0	0	112.1	T256 L257	D254-T256 VanDerWaalsContact CG-OG1 3.23Å; D254-T256 PolarHBondContact O-N 3.24Å; D254-T256 VanDerWaalsContact O-N 3.09Å; D254-T256 WeakPolarHBondContact OD1-CB 3.39Å; D254-T256 PolarHBondContact OD1-N 3.47Å; D254-T256 VanDerWaalsContact OD1-N 3.1Å; D254-T256 PolarHBondContact OD1-OG1 3.03Å; D254-T256 PolarHBondContact OD2-OG1 3.43Å; D254-L257 PolarHBondContact O-N 2.88Å; D254-L257 VanDerWaalsContact O-N 3.16Å
255	S	47.9	Very low	41.5	Very low	88 Å²	88	111.4 Å²	111.4	62%	0.615	63%	0.625	S	S	*	*	H	α-helix	trans	-54.1	-21.7	175.4	176.9	0	0	0	0	113.9	N253 L257	N253-S255 PolarHBondContact O-N 3Å; S255-L257 VanDerWaalsContact C-N 3.31Å
256	T	49.8	Very low	41.7	Very low	91 Å²	91	109 Å²	109	56%	0.558	62%	0.621	S	S	*	*	H	α-helix	trans	-76.3	-21.3	-178.2	66.3	0	0	0	0	112.8	D254	D254-T256 VanDerWaalsContact CG-OG1 3.23Å; D254-T256 PolarHBondContact O-N 3.24Å; D254-T256 VanDerWaalsContact O-N 3.09Å; D254-T256 WeakPolarHBondContact OD1-CB 3.39Å; D254-T256 PolarHBondContact OD1-N 3.47Å; D254-T256 VanDerWaalsContact OD1-N 3.1Å; D254-T256 PolarHBondContact OD1-OG1 3.03Å; D254-T256 PolarHBondContact OD2-OG1 3.43Å
257	L	47.3	Very low	41.8	Very low	95 Å²	95	109.2 Å²	109.2	50%	0.497	62%	0.622	S	S	.	*	H	α-helix	trans	-73.3	-34.3	178.9	-154.6	94.9	0	0	0	111.8	D254 S255 D259 S260 V261	D254-L257 PolarHBondContact O-N 2.88Å; D254-L257 VanDerWaalsContact O-N 3.16Å; S255-L257 VanDerWaalsContact C-N 3.31Å; L257-D259 VanDerWaalsContact C-N 3.34Å; L257-D259 PolarHBondContact O-N 3.26Å; L257-S260 PolarHBondContact O-N 2.98Å; L257-V261 WeakPolarHBondContact O-CG2 3.32Å; L257-V261 PolarHBondContact O-N 3.39Å; L257-V261 VanDerWaalsContact O-N 3.16Å
258	I	47.4	Very low	41.6	Very low	112 Å²	112	113.7 Å²	113.7	57%	0.574	64%	0.637	S	S	*	*	H	α-helix	trans	-65.5	-39.4	-178.8	-58.8	174.5	0	0	0	110.6	V261 L262	I258-V261 PolarHBondContact O-N 3.32Å; I258-L262 PolarHBondContact O-N 3.44Å
259	D	43.5	Very low	41.5	Very low	110 Å²	110	114.2 Å²	114.2	59%	0.588	64%	0.64	S	S	*	*	H	α-helix	trans	-69.2	-35.9	178.1	-86.3	-2.6	0	0	0	112.4	L257 V261 L262 S263	L257-D259 VanDerWaalsContact C-N 3.34Å; L257-D259 PolarHBondContact O-N 3.26Å; D259-V261 VanDerWaalsContact C-N 3.32Å; D259-V261 PolarHBondContact O-N 2.97Å; D259-L262 PolarHBondContact O-N 2.92Å; D259-S263 PolarHBondContact O-N 2.94Å; D259-S263 PolarHBondContact O-OG 3.4Å
260	S	47.9	Very low	41.1	Very low	75 Å²	75	115.8 Å²	115.8	52%	0.524	65%	0.648	S	S	.	*	H	α-helix	trans	-68.3	-30.9	174.8	-70.8	0	0	0	0	112.8	L257 S263 L264	L257-S260 PolarHBondContact O-N 2.98Å; S260-S263 PolarHBondContact O-N 2.88Å; S260-L264 PolarHBondContact O-N 3.37Å
261	V	46.5	Very low	40.8	Very low	74 Å²	74	114.2 Å²	114.2	45%	0.448	65%	0.645	S	S	.	*	H	α-helix	trans	-69.3	-34.9	175.9	172.1	0	0	0	0	111.3	L257 I258 D259	L257-V261 WeakPolarHBondContact O-CG2 3.32Å; L257-V261 PolarHBondContact O-N 3.39Å; L257-V261 VanDerWaalsContact O-N 3.16Å; I258-V261 PolarHBondContact O-N 3.32Å; D259-V261 VanDerWaalsContact C-N 3.32Å; D259-V261 PolarHBondContact O-N 2.97Å
262	L	42.7	Very low	40.4	Very low	107 Å²	107	112.7 Å²	112.7	56%	0.56	65%	0.646	S	S	*	*	H	α-helix	trans	-71.5	-29.5	176	-75.4	167.1	0	0	0	112.9	I258 D259	I258-L262 PolarHBondContact O-N 3.44Å; D259-L262 PolarHBondContact O-N 2.92Å
263	S	42.7	Very low	39.8	Very low	83 Å²	83	116 Å²	116	58%	0.58	65%	0.653	S	S	*	*	H	α-helix	trans	-73.9	-31.3	176.5	-63.8	0	0	0	0	113.7	D259 S260 A265	D259-S263 PolarHBondContact O-N 2.94Å; D259-S263 PolarHBondContact O-OG 3.4Å; S260-S263 PolarHBondContact O-N 2.88Å; S263-A265 VanDerWaalsContact C-N 3.25Å; S263-A265 PolarHBondContact O-N 3.14Å
264	L	43.3	Very low	39.4	Very low	144 Å²	144	115.9 Å²	115.9	75%	0.754	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-11.8	178.8	-69.6	170.7	0	0	0	113.8	S260 F266	S260-L264 PolarHBondContact O-N 3.37Å; L264-F266 VanDerWaalsContact C-N 3.26Å; L264-F266 PolarHBondContact O-N 3.4Å
265	A	42.1	Very low	38.8	Very low	71 Å²	71	119.8 Å²	119.8	59%	0.587	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-7.8	179	0	0	0	0	0	114	S263	S263-A265 VanDerWaalsContact C-N 3.25Å; S263-A265 PolarHBondContact O-N 3.14Å
266	F	35.2	Very low	38.3	Very low	169 Å²	169	124.9 Å²	124.9	74%	0.741	67%	0.673	S	S	*	*	S	Bend	trans	-124.7	4.9	-170.5	-70.1	-70.7	0	0	0	116.1	L264	L264-F266 VanDerWaalsContact C-N 3.26Å; L264-F266 PolarHBondContact O-N 3.4Å
267	D	32.6	Very low	37.4	Very low	137 Å²	137	126.2 Å²	126.2	73%	0.733	68%	0.677	S	S	*	*			trans	-101.9	83.4	172.7	-75.1	-28.5	0	0	0	110.2	N269	D267-N269 PolarHBondContact O-N 2.98Å; D267-N269 VanDerWaalsContact O-N 3.1Å
268	D	31.7	Very low	36.9	Very low	159 Å²	159	129 Å²	129	85%	0.85	69%	0.692	S	S	*	*			trans	-60.4	99.9	154.6	-85.2	-34.6	0	0	0	107.8
269	N	35.2	Very low	36.2	Very low	143 Å²	143	130.3 Å²	130.3	77%	0.765	70%	0.7	S	S	*	*			trans	-148.6	92.9	153.7	-86.9	-41.7	0	0	0	109.8	D267 D271	D267-N269 PolarHBondContact O-N 2.98Å; D267-N269 VanDerWaalsContact O-N 3.1Å; N269-D271 PolarHBondContact O-N 3.39Å
270	N	28.1	Very low	36	Very low	165 Å²	165	133 Å²	133	88%	0.882	71%	0.714	S	S	*	*			trans	-58.5	108.2	157.2	-164.6	20.6	0	0	0	108
271	D	30.8	Very low	35.2	Very low	135 Å²	135	136 Å²	136	72%	0.722	73%	0.725	S	S	*	*			trans	-154.6	115.1	167	-114	-30.4	0	0	0	113.8	N269	N269-D271 PolarHBondContact O-N 3.39Å
272	S	29.7	Very low	34.8	Very low	100 Å²	100	139.3 Å²	139.3	70%	0.699	74%	0.74	S	S	*	*			trans	78.6	105.7	131.2	-65.2	0	0	0	0	120.5
273	D	30.2	Very low	34.3	Very low	148 Å²	148	141 Å²	141	79%	0.791	75%	0.749	S	S	*	*			trans	-17.8	137	132.4	-55	-46.4	0	0	0	116.1
274	N	28.4	Very low	34.2	Very low	142 Å²	142	144.8 Å²	144.8	76%	0.759	76%	0.763	S	S	*	*				171.6	139.8	128.4	-94.2	-27.8	0	0	0	115.8
275	Y	31.4	Very low	33.8	Very low	168 Å²	168	144.7 Å²	144.7	66%	0.659	76%	0.763	S	S	*	*			trans	60	136.5	142.1	-86	-100.8	0	0	0	122.8
276	F	37.6	Very low	33.8	Very low	195 Å²	195	149.4 Å²	149.4	86%	0.855	78%	0.779	S	S	*	*				-163.5	111.5	108.4	-97.6	-76.7	0	0	0	110.5
277	D	30.8	Very low	33.9	Very low	119 Å²	119	148.3 Å²	148.3	64%	0.636	78%	0.781	S	S	*	*			trans	-75.6	154.2	149.1	-74.1	-51.5	0	0	0	108.3
278	D	38	Very low	33.9	Very low	152 Å²	152	148.3 Å²	148.3	81%	0.813	78%	0.781	S	S	*	*			trans	-156.5	125.1	149.7	-87.8	-35.2	0	0	0	109.6
279	D	32.3	Very low	34.3	Very low	140 Å²	140	147.1 Å²	147.1	75%	0.749	77%	0.774	S	S	*	*			trans	-71.1	168	168.3	-62.6	-60.5	0	0	0	111.7
280	D	38.3	Very low	34.3	Very low	166 Å²	166	146.8 Å²	146.8	89%	0.888	77%	0.772	S	S	*	*			trans	-175	138.4	132.6	-93	-23.9	0	0	0	112.6
281	D	31.9	Very low	34.8	Very low	139 Å²	139	145.4 Å²	145.4	74%	0.743	77%	0.765	S	S	*	*			trans	-93.3	-174.9	-166.4	-69.4	-60	0	0	0	115.4
282	D	37.4	Very low	35.2	Very low	143 Å²	143	145.9 Å²	145.9	77%	0.765	77%	0.768	S	S	*	*			trans	104.6	99.8	142.6	-62.5	-28.3	0	0	0	120.6
283	D	32.5	Very low	35.7	Very low	143 Å²	143	148.9 Å²	148.9	77%	0.765	78%	0.776	S	S	*	*				33.8	133.6	111.5	-65	-21.4	0	0	0	121.3
284	D	39.9	Very low	35.8	Very low	163 Å²	163	148.5 Å²	148.5	87%	0.872	77%	0.774	S	S	*	*				-177.1	130	116.5	-102.6	-25.1	0	0	0	113.6
285	D	35	Very low	36	Very low	142 Å²	142	149.9 Å²	149.9	76%	0.759	78%	0.778	S	S	*	*			trans	-68.4	154.6	173.9	-65.8	-53.9	0	0	0	113.7
286	N	42.8	Very low	36	Very low	169 Å²	169	145.3 Å²	145.3	90%	0.904	78%	0.781	S	S	*	*			trans	-165	90.8	149.1	-87.5	-57.5	0	0	0	110.9
287	D	37	Very low	35.7	Very low	147 Å²	147	142.9 Å²	142.9	79%	0.786	78%	0.778	S	S	*	*			trans	-105.4	130.4	166.9	-80.4	-25.9	0	0	0	110.5
288	D	32.9	Very low	35.9	Very low	137 Å²	137	141 Å²	141	73%	0.733	77%	0.774	S	S	*	*				61.2	146.7	129.8	-67.9	-20.1	0	0	0	125.2
289	D	39.2	Very low	36.3	Very low	134 Å²	134	137.5 Å²	137.5	72%	0.717	76%	0.761	S	S	*	*			trans	94	98.6	149.2	-61.1	-22.8	0	0	0	121.6
290	D	37.1	Very low	36.9	Very low	135 Å²	135	136.1 Å²	136.1	72%	0.722	75%	0.754	S	S	*	*				64	131.1	109.1	-72	-10	0	0	0	123.5
291	D	36.8	Very low	37.3	Very low	136 Å²	136	132.1 Å²	132.1	73%	0.727	74%	0.744	S	S	*	*			trans	46.6	136.8	134.8	-71.6	-16.5	0	0	0	119.7
292	D	39.2	Very low	38.2	Very low	146 Å²	146	131.9 Å²	131.9	78%	0.781	75%	0.747	S	S	*	*			cis	-163.2	137.5	32.3	-103.6	-45	0	0	0	108.4
293	N	40.9	Very low	38.8	Very low	163 Å²	163	129.4 Å²	129.4	87%	0.872	73%	0.729	S	S	*	*			trans	-113.8	120.9	174.1	-86.1	-59.4	0	0	0	112.4
294	D	32.4	Very low	39.7	Very low	139 Å²	139	126.6 Å²	126.6	74%	0.743	71%	0.713	S	S	*	*				66.6	119.7	121.7	-149.9	40.1	0	0	0	123.1
295	M	32.4	Very low	40.4	Very low	172 Å²	172	124 Å²	124	85%	0.847	70%	0.699	S	S	*	*			trans	42.6	142.9	135.7	-68.9	-81.3	-148.6	0	0	124.3
296	G	31.8	Very low	41.3	Very low	71 Å²	71	124.8 Å²	124.8	73%	0.732	70%	0.696	S	S	*	*				120.2	107	120.2	0	0	0	0	0	121.1
297	D	32.1	Very low	41.9	Very low	145 Å²	145	121 Å²	121	78%	0.775	67%	0.672	S	S	*	*				70.6	116.2	127.3	-151.9	40.7	0	0	0	125.2	K303	D297-K303 PolarHBondContact O-NZ 3.45Å; D297-K303 VanDerWaalsContact O-NZ 3.16Å
298	S	34.1	Very low	43	Very low	80 Å²	80	118.2 Å²	118.2	56%	0.559	66%	0.656	S	S	*	*			trans	40.8	150.3	130.9	-165.9	0	0	0	0	124.7	K303	S298-K303 PolarHBondContact O-NZ 2.84Å
299	S	45.9	Very low	44.3	Very low	77 Å²	77	118.3 Å²	118.3	54%	0.538	65%	0.649	S	S	.	*			trans	87	95.1	165	74.1	0	0	0	0	117.7	K303	S299-K303 WeakPolarHBondContact O-CD 3.33Å
300	D	46.1	Very low	45.4	Very low	112 Å²	112	116.6 Å²	116.6	60%	0.599	64%	0.64	S	S	*	*			trans	-100.1	-0.1	-157	-85.9	-46.7	0	0	0	118	I304 K307	D300-I304 WeakPolarHBondContact O-CD1 3.48Å; D300-I304 WeakPolarHBondContact O-CG1 3.31Å; D300-K307 IonicContact OD1-NZ 3.56Å
301	A	46.6	Very low	46.5	Very low	82 Å²	82	118.6 Å²	118.6	68%	0.678	64%	0.639	S	S	*	*	S	Bend	trans	-98.3	-43.7	-174.1	0	0	0	0	0	114.2
302	V	50.5	Low	47.9	Very low	133 Å²	133	115.7 Å²	115.7	81%	0.806	63%	0.626	S	S	*	*	S	Bend	trans	-91.7	-14.8	-177.2	-174.8	0	0	0	0	111.9	I304	V302-I304 VanDerWaalsContact C-N 3.34Å
303	K	48.8	Very low	49.2	Very low	91 Å²	91	112 Å²	112	40%	0.396	61%	0.612	S	S	.	*	H	α-helix	trans	-69.5	-27.1	165.9	-76.6	-176.7	-176.8	172	0	112	D297 S298 S299 D305 K306 K307	D297-K303 PolarHBondContact O-NZ 3.45Å; D297-K303 VanDerWaalsContact O-NZ 3.16Å; S298-K303 PolarHBondContact O-NZ 2.84Å; S299-K303 WeakPolarHBondContact O-CD 3.33Å; K303-D305 PolarHBondContact O-N 3.29Å; K303-K306 PolarHBondContact O-N 3Å; K303-K307 HydrophobicContact CB-CD 4.29Å; K303-K307 VanDerWaalsContact O-CB 3.22Å; K303-K307 WeakPolarHBondContact O-CB 3.43Å; K303-K307 VanDerWaalsContact O-CG 3.23Å; K303-K307 WeakPolarHBondContact O-CG 3.5Å; K303-K307 PolarHBondContact O-N 3.43Å
304	I	51.5	Low	50.5	Low	84 Å²	84	107 Å²	107	43%	0.431	59%	0.585	S	S	.	*	H	α-helix	trans	-62.8	-41.3	-172.7	-72.3	167.1	0	0	0	112.6	D300 V302 K307 I308	D300-I304 WeakPolarHBondContact O-CD1 3.48Å; D300-I304 WeakPolarHBondContact O-CG1 3.31Å; V302-I304 VanDerWaalsContact C-N 3.34Å; I304-K307 CarbonylContact O-C 3.52Å; I304-K307 WeakPolarHBondContact O-CB 3.47Å; I304-K307 PolarHBondContact O-N 3.06Å; I304-I308 HydrophobicContact CG2-CD1 3.59Å; I304-I308 HydrophobicContact CG2-CG1 4.13Å; I304-I308 VanDerWaalsContact O-CG1 3.27Å; I304-I308 WeakPolarHBondContact O-CG1 3.46Å; I304-I308 PolarHBondContact O-N 2.91Å
305	D	55.8	Low	52.3	Low	108 Å²	108	110.2 Å²	110.2	58%	0.578	59%	0.587	S	S	*	*	H	α-helix	trans	-76.7	-32.9	-175.5	-147.6	32.2	0	0	0	112.2	K303 K309	K303-D305 PolarHBondContact O-N 3.29Å; D305-K309 WeakPolarHBondContact O-CB 3.35Å; D305-K309 PolarHBondContact O-N 2.82Å
306	K	53.5	Low	54.2	Low	160 Å²	160	109.7 Å²	109.7	70%	0.696	58%	0.58	S	S	*	*	H	α-helix	trans	-67.2	-38.3	164.7	-78.1	-175.2	179.5	178.8	0	111.7	K303 N310	K303-K306 PolarHBondContact O-N 3Å; K306-N310 VanDerWaalsContact O-CB 3.26Å; K306-N310 WeakPolarHBondContact O-CB 3.38Å; K306-N310 PolarHBondContact O-N 3.48Å
307	K	56.3	Low	56.4	Low	90 Å²	90	112.4 Å²	112.4	39%	0.391	57%	0.572	S	S	.	*	H	α-helix	trans	-65.2	-41.6	175.1	-80.5	175	178.4	179	0	110.7	D300 K303 I304 N310 Y311	D300-K307 IonicContact OD1-NZ 3.56Å; K303-K307 HydrophobicContact CB-CD 4.29Å; K303-K307 VanDerWaalsContact O-CB 3.22Å; K303-K307 WeakPolarHBondContact O-CB 3.43Å; K303-K307 VanDerWaalsContact O-CG 3.23Å; K303-K307 WeakPolarHBondContact O-CG 3.5Å; K303-K307 PolarHBondContact O-N 3.43Å; I304-K307 CarbonylContact O-C 3.52Å; I304-K307 WeakPolarHBondContact O-CB 3.47Å; I304-K307 PolarHBondContact O-N 3.06Å; K307-N310 CarbonylContact O-C 3.48Å; K307-N310 PolarHBondContact O-N 3.44Å; K307-Y311 VanDerWaalsContact O-CB 3.29Å; K307-Y311 WeakPolarHBondContact O-CB 3.41Å; K307-Y311 VanDerWaalsContact O-CD2 3.28Å; K307-Y311 WeakPolarHBondContact O-CD2 3.39Å; K307-Y311 PolarHBondContact O-N 3.35Å
308	I	59	Low	58.4	Low	88 Å²	88	112.5 Å²	112.5	45%	0.451	56%	0.562	S	S	.	*	H	α-helix	trans	-69.4	-41.8	177.5	-67.6	167.1	0	0	0	110.5	I304 N310 Y311 T312	I304-I308 HydrophobicContact CG2-CD1 3.59Å; I304-I308 HydrophobicContact CG2-CG1 4.13Å; I304-I308 VanDerWaalsContact O-CG1 3.27Å; I304-I308 WeakPolarHBondContact O-CG1 3.46Å; I304-I308 PolarHBondContact O-N 2.91Å; I308-N310 VanDerWaalsContact C-N 3.33Å; I308-Y311 PolarHBondContact O-N 3.21Å; I308-T312 HydrophobicContact CG2-CG2 4.36Å; I308-T312 WeakPolarHBondContact O-CB 3.4Å; I308-T312 WeakPolarHBondContact O-CG2 3.43Å; I308-T312 PolarHBondContact O-N 2.8Å; I308-T312 PolarHBondContact O-OG1 3.39Å
309	K	60.4	Low	60.4	Low	138 Å²	138	110.8 Å²	110.8	60%	0.6	56%	0.557	S	S	*	*	H	α-helix	trans	-62.2	-39.9	170.2	-82	-179.2	179.2	172.5	0	111.8	D305 T312 S313	D305-K309 WeakPolarHBondContact O-CB 3.35Å; D305-K309 PolarHBondContact O-N 2.82Å; K309-T312 WeakPolarHBondContact CA-OG1 3.49Å; K309-T312 PolarHBondContact O-OG1 3Å; K309-T312 VanDerWaalsContact O-OG1 3.13Å; K309-S313 WeakPolarHBondContact O-CB 3.4Å; K309-S313 PolarHBondContact O-N 3.39Å; K309-S313 PolarHBondContact O-OG 2.91Å
310	N	63.3	Low	62	Low	98 Å²	98	110.6 Å²	110.6	52%	0.524	55%	0.552	S	S	.	*	H	α-helix	trans	-67.3	-38.9	172.7	-85	9.1	0	0	0	111.8	K306 K307 I308 N314	K306-N310 VanDerWaalsContact O-CB 3.26Å; K306-N310 WeakPolarHBondContact O-CB 3.38Å; K306-N310 PolarHBondContact O-N 3.48Å; K307-N310 CarbonylContact O-C 3.48Å; K307-N310 PolarHBondContact O-N 3.44Å; I308-N310 VanDerWaalsContact C-N 3.33Å; N310-N314 WeakPolarHBondContact O-CA 3.44Å; N310-N314 WeakPolarHBondContact O-CB 3.42Å; N310-N314 PolarHBondContact O-N 3.33Å; N310-N314 PolarHBondContact O-OD1 3.41Å
311	Y	59.7	Low	63.8	Low	177 Å²	177	108.2 Å²	108.2	69%	0.694	54%	0.54	S	S	*	.	H	α-helix	trans	-70.3	-38.8	179.2	-102.2	-81.1	0	0	0	111.4	K307 I308 R315	K307-Y311 VanDerWaalsContact O-CB 3.29Å; K307-Y311 WeakPolarHBondContact O-CB 3.41Å; K307-Y311 VanDerWaalsContact O-CD2 3.28Å; K307-Y311 WeakPolarHBondContact O-CD2 3.39Å; K307-Y311 PolarHBondContact O-N 3.35Å; I308-Y311 PolarHBondContact O-N 3.21Å; Y311-R315 WeakPolarHBondContact O-CA 3.39Å; Y311-R315 WeakPolarHBondContact O-CB 3.46Å; Y311-R315 PolarHBondContact O-N 3.18Å
312	T	65.7	Low	65.6	Low	75 Å²	75	108.1 Å²	108.1	46%	0.46	53%	0.531	S	S	.	.	H	α-helix	trans	-74.4	-39.7	175.7	50.4	0	0	0	0	111.5	I308 K309 K316	I308-T312 HydrophobicContact CG2-CG2 4.36Å; I308-T312 WeakPolarHBondContact O-CB 3.4Å; I308-T312 WeakPolarHBondContact O-CG2 3.43Å; I308-T312 PolarHBondContact O-N 2.8Å; I308-T312 PolarHBondContact O-OG1 3.39Å; K309-T312 WeakPolarHBondContact CA-OG1 3.49Å; K309-T312 PolarHBondContact O-OG1 3Å; K309-T312 VanDerWaalsContact O-OG1 3.13Å; T312-K316 WeakPolarHBondContact O-CB 3.27Å; T312-K316 WeakPolarHBondContact O-CG 3.43Å; T312-K316 PolarHBondContact O-N 2.94Å
313	S	66.1	Low	67.3	Low	68 Å²	68	104.2 Å²	104.2	48%	0.476	51%	0.509	S	S	.	.	H	α-helix	trans	-65.6	-41.7	171.5	-56.7	0	0	0	0	111.4	K309 K317	K309-S313 WeakPolarHBondContact O-CB 3.4Å; K309-S313 PolarHBondContact O-N 3.39Å; K309-S313 PolarHBondContact O-OG 2.91Å; S313-K317 WeakPolarHBondContact O-CB 3.31Å; S313-K317 PolarHBondContact O-N 2.91Å
314	N	68.1	Low	69.1	Low	60 Å²	60	104.8 Å²	104.8	32%	0.321	51%	0.513	S	S	.	.	H	α-helix	trans	-71.2	-39.9	177.1	-78.2	-4.3	0	0	0	111.2	N310 K316 K317 Y318	N310-N314 WeakPolarHBondContact O-CA 3.44Å; N310-N314 WeakPolarHBondContact O-CB 3.42Å; N310-N314 PolarHBondContact O-N 3.33Å; N310-N314 PolarHBondContact O-OD1 3.41Å; N314-K316 VanDerWaalsContact C-N 3.32Å; N314-K316 PolarHBondContact O-N 3.47Å; N314-K317 CarbonylContact O-C 3.49Å; N314-K317 WeakPolarHBondContact O-CB 3.42Å; N314-K317 PolarHBondContact O-N 3.43Å; N314-K317 VanDerWaalsContact O-N 3.17Å; N314-Y318 VanDerWaalsContact C-CD2 3.48Å; N314-Y318 HydrophobicContact CB-CD2 3.93Å; N314-Y318 HydrophobicContact CB-CE2 3.65Å; N314-Y318 VanDerWaalsContact O-CB 3.3Å; N314-Y318 WeakPolarHBondContact O-CB 3.3Å; N314-Y318 WeakPolarHBondContact O-CD2 3.35Å; N314-Y318 VanDerWaalsContact O-CG 3.25Å; N314-Y318 PolarHBondContact O-N 2.85Å
315	R	69.7	Low	70.9	Confident	206 Å²	206	106 Å²	106	78%	0.777	52%	0.52	S	S	*	.	H	α-helix	trans	-65.9	-38	175.9	-171.9	-178.9	-171.2	-153.6	2.7	111.3	Y311 G319	Y311-R315 WeakPolarHBondContact O-CA 3.39Å; Y311-R315 WeakPolarHBondContact O-CB 3.46Å; Y311-R315 PolarHBondContact O-N 3.18Å; R315-G319 PolarHBondContact O-N 3.27Å
316	K	74	Confident	72.4	Confident	161 Å²	161	106.2 Å²	106.2	70%	0.7	52%	0.517	S	S	*	.	H	α-helix	trans	-63.1	-48.2	168.2	-77.3	-177.5	178	-177.9	0	110.5	T312 N314 G319 T320	T312-K316 WeakPolarHBondContact O-CB 3.27Å; T312-K316 WeakPolarHBondContact O-CG 3.43Å; T312-K316 PolarHBondContact O-N 2.94Å; N314-K316 VanDerWaalsContact C-N 3.32Å; N314-K316 PolarHBondContact O-N 3.47Å; K316-G319 PolarHBondContact O-N 3.11Å; K316-T320 WeakPolarHBondContact O-CB 3.34Å; K316-T320 PolarHBondContact O-N 3.47Å; K316-T320 PolarHBondContact O-OG1 3.44Å
317	K	76.4	Confident	74.2	Confident	128 Å²	128	104.5 Å²	104.5	56%	0.557	51%	0.512	S	S	*	.	H	α-helix	trans	-58.2	-48.9	177	-169.1	-178.7	179.3	-176.1	0	112.3	S313 N314 T320 N321	S313-K317 WeakPolarHBondContact O-CB 3.31Å; S313-K317 PolarHBondContact O-N 2.91Å; N314-K317 CarbonylContact O-C 3.49Å; N314-K317 WeakPolarHBondContact O-CB 3.42Å; N314-K317 PolarHBondContact O-N 3.43Å; N314-K317 VanDerWaalsContact O-N 3.17Å; K317-T320 PolarHBondContact O-N 2.98Å; K317-N321 VanDerWaalsContact O-CB 3.28Å; K317-N321 WeakPolarHBondContact O-CB 3.33Å; K317-N321 PolarHBondContact O-N 2.9Å; K317-N321 PolarHBondContact O-OD1 3.37Å
318	Y	75.6	Confident	75.9	Confident	147 Å²	147	103.7 Å²	103.7	58%	0.576	52%	0.515	S	S	*	.	H	α-helix	trans	-65.2	-41.1	176.4	-69	-58.3	0	0	0	111.4	N314 N321 V322	N314-Y318 VanDerWaalsContact C-CD2 3.48Å; N314-Y318 HydrophobicContact CB-CD2 3.93Å; N314-Y318 HydrophobicContact CB-CE2 3.65Å; N314-Y318 VanDerWaalsContact O-CB 3.3Å; N314-Y318 WeakPolarHBondContact O-CB 3.3Å; N314-Y318 WeakPolarHBondContact O-CD2 3.35Å; N314-Y318 VanDerWaalsContact O-CG 3.25Å; N314-Y318 PolarHBondContact O-N 2.85Å; Y318-N321 PolarHBondContact O-N 2.86Å; Y318-V322 WeakPolarHBondContact O-CB 3.45Å; Y318-V322 WeakPolarHBondContact O-CG2 3.43Å; Y318-V322 PolarHBondContact O-N 2.95Å
319	G	75.2	Confident	77.4	Confident	43 Å²	43	104.4 Å²	104.4	44%	0.443	52%	0.519	S	S	.	.	H	α-helix	trans	-66	-38.9	175	0	0	0	0	0	112.8	R315 K316 S323	R315-G319 PolarHBondContact O-N 3.27Å; K316-G319 PolarHBondContact O-N 3.11Å; G319-S323 WeakPolarHBondContact O-CB 3.47Å; G319-S323 PolarHBondContact O-N 3.04Å
320	T	80.7	Confident	78.9	Confident	73 Å²	73	103.2 Å²	103.2	45%	0.448	52%	0.519	S	S	.	.	H	α-helix	trans	-65.1	-48.3	171.2	-59	0	0	0	0	110.5	K316 K317 V322 S323 E324	K316-T320 WeakPolarHBondContact O-CB 3.34Å; K316-T320 PolarHBondContact O-N 3.47Å; K316-T320 PolarHBondContact O-OG1 3.44Å; K317-T320 PolarHBondContact O-N 2.98Å; T320-V322 PolarHBondContact O-N 3.33Å; T320-S323 PolarHBondContact O-N 3.08Å; T320-E324 HydrophobicContact CG2-CG 4.4Å; T320-E324 WeakPolarHBondContact CG2-OE1 3.46Å; T320-E324 WeakPolarHBondContact O-CB 3.49Å; T320-E324 VanDerWaalsContact O-CG 3.3Å; T320-E324 WeakPolarHBondContact O-CG 3.35Å; T320-E324 PolarHBondContact O-N 3.19Å
321	N	83.7	Confident	80.3	Confident	63 Å²	63	100.9 Å²	100.9	34%	0.337	51%	0.513	S	S	.	.	H	α-helix	trans	-60.7	-39.9	177.3	-71.1	10.7	0	0	0	112.5	K317 Y318 E324 L325	K317-N321 VanDerWaalsContact O-CB 3.28Å; K317-N321 WeakPolarHBondContact O-CB 3.33Å; K317-N321 PolarHBondContact O-N 2.9Å; K317-N321 PolarHBondContact O-OD1 3.37Å; Y318-N321 PolarHBondContact O-N 2.86Å; N321-E324 PolarHBondContact O-N 2.9Å; N321-L325 WeakPolarHBondContact O-CB 3.45Å; N321-L325 PolarHBondContact O-N 3.08Å
322	V	83.6	Confident	81.9	Confident	80 Å²	80	97.6 Å²	97.6	49%	0.485	51%	0.507	S	S	.	.	H	α-helix	trans	-67.7	-43.8	176.9	168.9	0	0	0	0	110.2	Y318 T320 E324 L325 E326	Y318-V322 WeakPolarHBondContact O-CB 3.45Å; Y318-V322 WeakPolarHBondContact O-CG2 3.43Å; Y318-V322 PolarHBondContact O-N 2.95Å; T320-V322 PolarHBondContact O-N 3.33Å; V322-E324 VanDerWaalsContact C-N 3.34Å; V322-E324 PolarHBondContact O-N 3.28Å; V322-L325 PolarHBondContact O-N 3.49Å; V322-E326 HydrophobicContact CG1-CG 4.5Å; V322-E326 WeakPolarHBondContact O-CG 3.32Å; V322-E326 PolarHBondContact O-N 3.28Å
323	S	85.4	Confident	83.2	Confident	50 Å²	50	100 Å²	100	35%	0.35	51%	0.513	S	S	.	.	H	α-helix	trans	-65.1	-38	175.4	-171.7	0	0	0	0	112.2	G319 T320 E326 Q327	G319-S323 WeakPolarHBondContact O-CB 3.47Å; G319-S323 PolarHBondContact O-N 3.04Å; T320-S323 PolarHBondContact O-N 3.08Å; S323-E326 PolarHBondContact O-N 3.36Å; S323-Q327 WeakPolarHBondContact O-CB 3.36Å; S323-Q327 WeakPolarHBondContact O-CG 3.27Å; S323-Q327 PolarHBondContact O-N 2.88Å; S323-Q327 PolarHBondContact OG-NE2 3.43Å
324	E	87.9	Confident	84.6	Confident	103 Å²	103	100.1 Å²	100.1	48%	0.481	51%	0.514	S	S	.	.	H	α-helix	trans	-62.5	-44.1	171.5	-75.2	172.5	-174.8	0	0	110.7	T320 N321 V322 Q327 T328	T320-E324 HydrophobicContact CG2-CG 4.4Å; T320-E324 WeakPolarHBondContact CG2-OE1 3.46Å; T320-E324 WeakPolarHBondContact O-CB 3.49Å; T320-E324 VanDerWaalsContact O-CG 3.3Å; T320-E324 WeakPolarHBondContact O-CG 3.35Å; T320-E324 PolarHBondContact O-N 3.19Å; N321-E324 PolarHBondContact O-N 2.9Å; V322-E324 VanDerWaalsContact C-N 3.34Å; V322-E324 PolarHBondContact O-N 3.28Å; E324-Q327 PolarHBondContact O-N 3.42Å; E324-T328 WeakPolarHBondContact O-CG2 3.48Å; E324-T328 PolarHBondContact O-N 2.94Å; E324-T328 PolarHBondContact O-OG1 3.48Å
325	L	88.2	Confident	85.8	Confident	110 Å²	110	101.3 Å²	101.3	58%	0.576	52%	0.521	S	S	*	.	H	α-helix	trans	-63.5	-41.4	176.3	-120.9	92.1	0	0	0	112.8	N321 V322 Q327 T328 L329	N321-L325 WeakPolarHBondContact O-CB 3.45Å; N321-L325 PolarHBondContact O-N 3.08Å; V322-L325 PolarHBondContact O-N 3.49Å; L325-Q327 VanDerWaalsContact C-N 3.32Å; L325-T328 WeakPolarHBondContact CA-OG1 3.23Å; L325-T328 PolarHBondContact O-N 3.47Å; L325-T328 PolarHBondContact O-OG1 3.47Å; L325-L329 WeakPolarHBondContact O-CB 3.41Å; L325-L329 WeakPolarHBondContact O-CG 3.39Å; L325-L329 PolarHBondContact O-N 3.39Å
326	E	88.8	Confident	87	Confident	112 Å²	112	96.2 Å²	96.2	52%	0.523	51%	0.508	S	S	.	.	H	α-helix	trans	-65.6	-38.3	176.3	-74.3	173.3	175.8	0	0	111	V322 S323 N330	V322-E326 HydrophobicContact CG1-CG 4.5Å; V322-E326 WeakPolarHBondContact O-CG 3.32Å; V322-E326 PolarHBondContact O-N 3.28Å; S323-E326 PolarHBondContact O-N 3.36Å; E326-N330 WeakPolarHBondContact O-CB 3.2Å; E326-N330 PolarHBondContact O-N 2.91Å; E326-N330 PolarHBondContact O-ND2 3.27Å
327	Q	90	Very high	87.9	Confident	125 Å²	125	92.7 Å²	92.7	58%	0.584	50%	0.497	S	S	*	.	H	α-helix	trans	-65.6	-43.3	173.6	-73.5	170.5	39	0	0	111.6	S323 E324 L325 A331	S323-Q327 WeakPolarHBondContact O-CB 3.36Å; S323-Q327 WeakPolarHBondContact O-CG 3.27Å; S323-Q327 PolarHBondContact O-N 2.88Å; S323-Q327 PolarHBondContact OG-NE2 3.43Å; E324-Q327 PolarHBondContact O-N 3.42Å; L325-Q327 VanDerWaalsContact C-N 3.32Å; Q327-A331 VanDerWaalsContact O-CB 3.32Å; Q327-A331 WeakPolarHBondContact O-CB 3.4Å; Q327-A331 PolarHBondContact O-N 3.28Å
328	T	91.7	Very high	88.8	Confident	73 Å²	73	92.6 Å²	92.6	45%	0.448	50%	0.499	S	S	.	.	H	α-helix	trans	-67	-40.4	176.9	58.6	0	0	0	0	111.8	E324 L325 A331 L332	E324-T328 WeakPolarHBondContact O-CG2 3.48Å; E324-T328 PolarHBondContact O-N 2.94Å; E324-T328 PolarHBondContact O-OG1 3.48Å; L325-T328 WeakPolarHBondContact CA-OG1 3.23Å; L325-T328 PolarHBondContact O-N 3.47Å; L325-T328 PolarHBondContact O-OG1 3.47Å; T328-A331 PolarHBondContact O-N 2.96Å; T328-L332 VanDerWaalsContact O-CB 3.31Å; T328-L332 WeakPolarHBondContact O-CB 3.48Å; T328-L332 WeakPolarHBondContact O-CG 3.43Å; T328-L332 PolarHBondContact O-N 2.9Å
329	L	91	Very high	89.7	Confident	103 Å²	103	90.6 Å²	90.6	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-60.8	-46.7	175.5	-81.3	172.3	0	0	0	112.1	L325 L332 Q333	L325-L329 WeakPolarHBondContact O-CB 3.41Å; L325-L329 WeakPolarHBondContact O-CG 3.39Å; L325-L329 PolarHBondContact O-N 3.39Å; L329-L332 PolarHBondContact O-N 2.95Å; L329-Q333 WeakPolarHBondContact O-CB 3.49Å; L329-Q333 PolarHBondContact O-N 3.16Å
330	N	92	Very high	90.7	Very high	112 Å²	112	93 Å²	93	60%	0.599	50%	0.499	S	S	*	.	H	α-helix	trans	-64.5	-40.6	176.9	-73.8	-46.5	0	0	0	111.9	E326 Q333 S334	E326-N330 WeakPolarHBondContact O-CB 3.2Å; E326-N330 PolarHBondContact O-N 2.91Å; E326-N330 PolarHBondContact O-ND2 3.27Å; N330-Q333 PolarHBondContact O-N 2.97Å; N330-S334 PolarHBondContact O-N 3.4Å
331	A	93.3	Very high	91.4	Very high	49 Å²	49	95.4 Å²	95.4	41%	0.405	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-45.1	175.5	0	0	0	0	0	111.6	Q327 T328 Q333 S334 N335	Q327-A331 VanDerWaalsContact O-CB 3.32Å; Q327-A331 WeakPolarHBondContact O-CB 3.4Å; Q327-A331 PolarHBondContact O-N 3.28Å; T328-A331 PolarHBondContact O-N 2.96Å; A331-Q333 VanDerWaalsContact C-N 3.35Å; A331-Q333 PolarHBondContact O-N 3.42Å; A331-S334 WeakPolarHBondContact O-CB 3.38Å; A331-S334 PolarHBondContact O-N 3.44Å; A331-N335 PolarHBondContact O-N 2.92Å; A331-N335 PolarHBondContact O-OD1 2.99Å
332	L	93.2	Very high	92	Very high	109 Å²	109	97.4 Å²	97.4	57%	0.571	52%	0.516	S	S	*	.	H	α-helix	trans	-62.5	-41	176.6	-74.5	169.8	0	0	0	111.8	T328 L329 N335 L336	T328-L332 VanDerWaalsContact O-CB 3.31Å; T328-L332 WeakPolarHBondContact O-CB 3.48Å; T328-L332 WeakPolarHBondContact O-CG 3.43Å; T328-L332 PolarHBondContact O-N 2.9Å; L329-L332 PolarHBondContact O-N 2.95Å; L332-N335 PolarHBondContact O-N 3.36Å; L332-L336 WeakPolarHBondContact O-CB 3.38Å; L332-L336 PolarHBondContact O-N 3.49Å
333	Q	92.9	Very high	92.5	Very high	124 Å²	124	97.7 Å²	97.7	58%	0.579	52%	0.515	S	S	*	.	H	α-helix	trans	-69.1	-34.8	178	-170.3	154.4	-2.8	0	0	112.4	L329 N330 A331 N337	L329-Q333 WeakPolarHBondContact O-CB 3.49Å; L329-Q333 PolarHBondContact O-N 3.16Å; N330-Q333 PolarHBondContact O-N 2.97Å; A331-Q333 VanDerWaalsContact C-N 3.35Å; A331-Q333 PolarHBondContact O-N 3.42Å; Q333-N337 PolarHBondContact O-N 3.26Å; Q333-N337 VanDerWaalsContact O-N 3.16Å; Q333-N337 PolarHBondContact O-ND2 3.41Å
334	S	94.1	Very high	93	Very high	72 Å²	72	100 Å²	100	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-63.2	-48.2	170.1	-170.5	0	0	0	0	111.3	N330 A331 L336 N337 E338	N330-S334 PolarHBondContact O-N 3.4Å; A331-S334 WeakPolarHBondContact O-CB 3.38Å; A331-S334 PolarHBondContact O-N 3.44Å; S334-L336 VanDerWaalsContact C-N 3.3Å; S334-L336 PolarHBondContact O-N 2.84Å; S334-N337 PolarHBondContact O-N 3.45Å; S334-E338 PolarHBondContact O-N 3.39Å
335	N	94.7	Very high	93.4	Very high	85 Å²	85	102.6 Å²	102.6	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-61	-39.4	178.2	-67	-8.2	0	0	0	111.7	A331 L332 E338 L339	A331-N335 PolarHBondContact O-N 2.92Å; A331-N335 PolarHBondContact O-OD1 2.99Å; L332-N335 PolarHBondContact O-N 3.36Å; N335-E338 PolarHBondContact O-N 2.88Å; N335-L339 WeakPolarHBondContact O-CB 3.38Å; N335-L339 WeakPolarHBondContact O-CG 3.46Å; N335-L339 PolarHBondContact O-N 3.13Å
336	L	94.2	Very high	93.8	Very high	99 Å²	99	101.5 Å²	101.5	52%	0.518	53%	0.527	S	S	.	.	H	α-helix	trans	-62.3	-45.7	176.7	179.7	63.4	0	0	0	111.7	L332 S334 E338 L339 L340	L332-L336 WeakPolarHBondContact O-CB 3.38Å; L332-L336 PolarHBondContact O-N 3.49Å; S334-L336 VanDerWaalsContact C-N 3.3Å; S334-L336 PolarHBondContact O-N 2.84Å; L336-E338 VanDerWaalsContact C-N 3.33Å; L336-E338 PolarHBondContact O-N 3.2Å; L336-L339 PolarHBondContact O-N 3.42Å; L336-L340 HydrophobicContact CG-CD1 4.37Å; L336-L340 VanDerWaalsContact O-CG 3.3Å; L336-L340 WeakPolarHBondContact O-CG 3.32Å; L336-L340 PolarHBondContact O-N 3.27Å
337	N	94	Very high	94.2	Very high	86 Å²	86	99.7 Å²	99.7	46%	0.46	52%	0.521	S	S	.	.	H	α-helix	trans	-64.4	-38.5	177.6	-73.4	-32.9	0	0	0	112.2	Q333 S334 L340 I341	Q333-N337 PolarHBondContact O-N 3.26Å; Q333-N337 VanDerWaalsContact O-N 3.16Å; Q333-N337 PolarHBondContact O-ND2 3.41Å; S334-N337 PolarHBondContact O-N 3.45Å; N337-L340 PolarHBondContact O-N 3.4Å; N337-I341 WeakPolarHBondContact O-CG1 3.47Å; N337-I341 PolarHBondContact O-N 3.31Å; N337-I341 VanDerWaalsContact O-N 3.15Å
338	E	94.9	Very high	94.5	Very high	126 Å²	126	100.7 Å²	100.7	59%	0.589	52%	0.523	S	S	*	.	H	α-helix	trans	-63.5	-46.5	175.6	-172.8	170.5	-171	0	0	111.3	S334 N335 L336 L340 I341 E342	S334-E338 PolarHBondContact O-N 3.39Å; N335-E338 PolarHBondContact O-N 2.88Å; L336-E338 VanDerWaalsContact C-N 3.33Å; L336-E338 PolarHBondContact O-N 3.2Å; E338-L340 VanDerWaalsContact C-N 3.32Å; E338-L340 PolarHBondContact O-N 3.24Å; E338-I341 PolarHBondContact O-N 3.39Å; E338-E342 PolarHBondContact O-N 3.45Å
339	L	95	Very high	94.7	Very high	105 Å²	105	101.9 Å²	101.9	55%	0.55	52%	0.524	S	S	.	.	H	α-helix	trans	-60.6	-38.7	175.2	-76.1	170	0	0	0	112.5	N335 L336 E342 N343	N335-L339 WeakPolarHBondContact O-CB 3.38Å; N335-L339 WeakPolarHBondContact O-CG 3.46Å; N335-L339 PolarHBondContact O-N 3.13Å; L336-L339 PolarHBondContact O-N 3.42Å; L339-E342 PolarHBondContact O-N 3.41Å; L339-N343 VanDerWaalsContact O-CB 3.28Å; L339-N343 WeakPolarHBondContact O-CB 3.36Å; L339-N343 PolarHBondContact O-N 3.13Å
340	L	95.1	Very high	95	Very high	93 Å²	93	101.7 Å²	101.7	49%	0.487	52%	0.522	S	S	.	.	H	α-helix	trans	-63.3	-42.6	176.1	-73.4	171.8	0	0	0	112	L336 N337 E338 N343 D344	L336-L340 HydrophobicContact CG-CD1 4.37Å; L336-L340 VanDerWaalsContact O-CG 3.3Å; L336-L340 WeakPolarHBondContact O-CG 3.32Å; L336-L340 PolarHBondContact O-N 3.27Å; N337-L340 PolarHBondContact O-N 3.4Å; E338-L340 VanDerWaalsContact C-N 3.32Å; E338-L340 PolarHBondContact O-N 3.24Å; L340-N343 PolarHBondContact O-N 2.98Å; L340-D344 PolarHBondContact O-N 3.39Å
341	I	95.7	Very high	95.3	Very high	125 Å²	125	101.4 Å²	101.4	64%	0.641	52%	0.519	S	S	*	.	H	α-helix	trans	-66.6	-40.4	177.4	-66.6	166.1	0	0	0	111	N337 E338 K345	N337-I341 WeakPolarHBondContact O-CG1 3.47Å; N337-I341 PolarHBondContact O-N 3.31Å; N337-I341 VanDerWaalsContact O-N 3.15Å; E338-I341 PolarHBondContact O-N 3.39Å; I341-K345 PolarHBondContact O-N 2.94Å
342	E	96.1	Very high	95.4	Very high	105 Å²	105	104.2 Å²	104.2	49%	0.491	52%	0.524	S	S	.	.	H	α-helix	trans	-65	-43.5	176.3	-175.6	171.3	-165.7	0	0	111.5	E338 L339 K345 L346	E338-E342 PolarHBondContact O-N 3.45Å; L339-E342 PolarHBondContact O-N 3.41Å; E342-K345 WeakPolarHBondContact O-CB 3.33Å; E342-K345 PolarHBondContact O-N 2.69Å; E342-K345 VanDerWaalsContact O-N 3.11Å; E342-L346 HydrophobicContact CG-CD1 4.08Å; E342-L346 HydrophobicContact CG-CG 4.4Å; E342-L346 WeakPolarHBondContact O-CG 3.5Å; E342-L346 PolarHBondContact O-N 3.32Å
343	N	94.3	Very high	95.6	Very high	86 Å²	86	102.8 Å²	102.8	46%	0.46	52%	0.517	S	S	.	.	H	α-helix	trans	-61.5	-46.9	178.2	-159.3	13.6	0	0	0	111.5	L339 L340 K345 L346 D347	L339-N343 VanDerWaalsContact O-CB 3.28Å; L339-N343 WeakPolarHBondContact O-CB 3.36Å; L339-N343 PolarHBondContact O-N 3.13Å; L340-N343 PolarHBondContact O-N 2.98Å; N343-K345 PolarHBondContact O-N 3.2Å; N343-K345 VanDerWaalsContact O-N 3.17Å; N343-L346 PolarHBondContact O-N 3.18Å; N343-L346 VanDerWaalsContact O-N 3.11Å; N343-D347 WeakPolarHBondContact O-CB 3.38Å; N343-D347 PolarHBondContact O-N 3.39Å
344	D	95.8	Very high	95.8	Very high	97 Å²	97	100.4 Å²	100.4	52%	0.519	51%	0.511	S	S	.	.	H	α-helix	trans	-58.2	-31.7	174.6	-82.9	-2.8	0	0	0	113.2	L340 K348	L340-D344 PolarHBondContact O-N 3.39Å; D344-K348 WeakPolarHBondContact O-CD 3.47Å; D344-K348 WeakPolarHBondContact O-CG 3.49Å; D344-K348 PolarHBondContact O-N 2.97Å
345	K	96.8	Very high	96	Very high	158 Å²	158	100.9 Å²	100.9	69%	0.687	51%	0.511	S	S	*	.	H	α-helix	trans	-75.9	-43.6	176.9	-177.4	-173.8	174.4	-169.8	0	111	I341 E342 N343 K348 Q349	I341-K345 PolarHBondContact O-N 2.94Å; E342-K345 WeakPolarHBondContact O-CB 3.33Å; E342-K345 PolarHBondContact O-N 2.69Å; E342-K345 VanDerWaalsContact O-N 3.11Å; N343-K345 PolarHBondContact O-N 3.2Å; N343-K345 VanDerWaalsContact O-N 3.17Å; K345-K348 PolarHBondContact O-N 3.34Å; K345-Q349 PolarHBondContact O-N 2.95Å; K345-Q349 VanDerWaalsContact O-N 3.09Å
346	L	96.7	Very high	96.1	Very high	87 Å²	87	101.2 Å²	101.2	46%	0.455	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-43	176.6	-71.1	172.8	0	0	0	110.9	E342 N343 K348 Q349 I350	E342-L346 HydrophobicContact CG-CD1 4.08Å; E342-L346 HydrophobicContact CG-CG 4.4Å; E342-L346 WeakPolarHBondContact O-CG 3.5Å; E342-L346 PolarHBondContact O-N 3.32Å; N343-L346 PolarHBondContact O-N 3.18Å; N343-L346 VanDerWaalsContact O-N 3.11Å; L346-K348 VanDerWaalsContact C-N 3.32Å; L346-K348 PolarHBondContact O-N 3.33Å; L346-Q349 WeakPolarHBondContact O-CB 3.39Å; L346-Q349 PolarHBondContact O-N 3.16Å; L346-I350 VanDerWaalsContact O-CG1 3.31Å; L346-I350 WeakPolarHBondContact O-CG1 3.5Å; L346-I350 PolarHBondContact O-N 3.22Å
347	D	96.2	Very high	96.2	Very high	74 Å²	74	101.9 Å²	101.9	40%	0.396	51%	0.513	S	S	.	.	H	α-helix	trans	-58	-43.9	176.4	-76.3	-23.5	0	0	0	111.8	N343 Q349 I350 I351	N343-D347 WeakPolarHBondContact O-CB 3.38Å; N343-D347 PolarHBondContact O-N 3.39Å; D347-Q349 VanDerWaalsContact C-N 3.34Å; D347-Q349 PolarHBondContact O-N 3.12Å; D347-I350 PolarHBondContact O-N 3.45Å; D347-I351 WeakPolarHBondContact O-CD1 3.5Å; D347-I351 WeakPolarHBondContact O-CG1 3.34Å; D347-I351 PolarHBondContact O-N 2.91Å
348	K	96.5	Very high	96.4	Very high	146 Å²	146	104.4 Å²	104.4	64%	0.635	52%	0.523	S	S	*	.	H	α-helix	trans	-63.6	-38.7	175	-72.9	168.2	-172	160.1	0	112.6	D344 K345 L346 Q352	D344-K348 WeakPolarHBondContact O-CD 3.47Å; D344-K348 WeakPolarHBondContact O-CG 3.49Å; D344-K348 PolarHBondContact O-N 2.97Å; K345-K348 PolarHBondContact O-N 3.34Å; L346-K348 VanDerWaalsContact C-N 3.32Å; L346-K348 PolarHBondContact O-N 3.33Å; K348-Q352 WeakPolarHBondContact O-CB 3.36Å; K348-Q352 PolarHBondContact O-N 2.81Å
349	Q	96.9	Very high	96.5	Very high	99 Å²	99	104.3 Å²	104.3	46%	0.463	52%	0.52	S	S	.	.	H	α-helix	trans	-67.8	-44.6	178.2	-173.8	62.1	42.6	0	0	110.9	K345 L346 D347 I351 Q352 D353	K345-Q349 PolarHBondContact O-N 2.95Å; K345-Q349 VanDerWaalsContact O-N 3.09Å; L346-Q349 WeakPolarHBondContact O-CB 3.39Å; L346-Q349 PolarHBondContact O-N 3.16Å; D347-Q349 VanDerWaalsContact C-N 3.34Å; D347-Q349 PolarHBondContact O-N 3.12Å; Q349-I351 VanDerWaalsContact C-N 3.33Å; Q349-I351 PolarHBondContact O-N 3.11Å; Q349-Q352 PolarHBondContact O-N 3.42Å; Q349-Q352 VanDerWaalsContact O-N 3.11Å; Q349-D353 PolarHBondContact NE2-OD1 2.74Å; Q349-D353 PolarHBondContact NE2-OD2 2.91Å; Q349-D353 WeakPolarHBondContact O-CB 3.4Å; Q349-D353 VanDerWaalsContact O-CG 3.32Å; Q349-D353 PolarHBondContact O-N 3.14Å
350	I	96.8	Very high	96.6	Very high	98 Å²	98	106 Å²	106	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-59.4	-44.9	175.6	-68.2	165.8	0	0	0	110.2	L346 D347 Q352 D353 T354	L346-I350 VanDerWaalsContact O-CG1 3.31Å; L346-I350 WeakPolarHBondContact O-CG1 3.5Å; L346-I350 PolarHBondContact O-N 3.22Å; D347-I350 PolarHBondContact O-N 3.45Å; I350-Q352 VanDerWaalsContact C-N 3.31Å; I350-Q352 PolarHBondContact O-N 3.06Å; I350-D353 PolarHBondContact O-N 3.14Å; I350-T354 HydrophobicContact CG2-CG2 4.17Å; I350-T354 VanDerWaalsContact O-CB 3.3Å; I350-T354 WeakPolarHBondContact O-CB 3.13Å; I350-T354 WeakPolarHBondContact O-CG2 3.47Å; I350-T354 PolarHBondContact O-N 3.4Å; I350-T354 PolarHBondContact O-OG1 3.06Å
351	I	96.9	Very high	96.7	Very high	106 Å²	106	104.4 Å²	104.4	54%	0.544	51%	0.514	S	S	.	.	H	α-helix	trans	-60.8	-41	175.5	-68.3	164.5	0	0	0	111.2	D347 Q349 T354 V355	D347-I351 WeakPolarHBondContact O-CD1 3.5Å; D347-I351 WeakPolarHBondContact O-CG1 3.34Å; D347-I351 PolarHBondContact O-N 2.91Å; Q349-I351 VanDerWaalsContact C-N 3.33Å; Q349-I351 PolarHBondContact O-N 3.11Å; I351-T354 WeakPolarHBondContact CA-OG1 3.34Å; I351-T354 PolarHBondContact O-OG1 3.04Å; I351-V355 VanDerWaalsContact O-CG2 3.28Å; I351-V355 WeakPolarHBondContact O-CG2 3.13Å; I351-V355 PolarHBondContact O-N 3.44Å
352	Q	96.9	Very high	96.7	Very high	109 Å²	109	103.5 Å²	103.5	51%	0.509	51%	0.506	S	S	.	.	H	α-helix	trans	-69.3	-44.4	179.4	-178.4	55.9	53.6	0	0	112.4	K348 Q349 I350 V355 E356	K348-Q352 WeakPolarHBondContact O-CB 3.36Å; K348-Q352 PolarHBondContact O-N 2.81Å; Q349-Q352 PolarHBondContact O-N 3.42Å; Q349-Q352 VanDerWaalsContact O-N 3.11Å; I350-Q352 VanDerWaalsContact C-N 3.31Å; I350-Q352 PolarHBondContact O-N 3.06Å; Q352-V355 PolarHBondContact O-N 2.85Å; Q352-E356 PolarHBondContact O-N 2.8Å
353	D	97.4	Very high	96.8	Very high	78 Å²	78	101.9 Å²	101.9	42%	0.417	50%	0.499	S	S	.	.	H	α-helix	trans	-69.1	-36.4	-178.9	-69	-18.8	0	0	0	111.3	Q349 I350 E356 L357	Q349-D353 PolarHBondContact NE2-OD1 2.74Å; Q349-D353 PolarHBondContact NE2-OD2 2.91Å; Q349-D353 WeakPolarHBondContact O-CB 3.4Å; Q349-D353 VanDerWaalsContact O-CG 3.32Å; Q349-D353 PolarHBondContact O-N 3.14Å; I350-D353 PolarHBondContact O-N 3.14Å; D353-E356 PolarHBondContact O-N 2.9Å; D353-L357 VanDerWaalsContact O-CB 3.22Å; D353-L357 WeakPolarHBondContact O-CB 3.41Å; D353-L357 PolarHBondContact O-N 3.16Å
354	T	96.9	Very high	96.9	Very high	75 Å²	75	103 Å²	103	46%	0.46	50%	0.504	S	S	.	.	H	α-helix	trans	-64.7	-42.9	175.1	48.6	0	0	0	0	111.8	I350 I351 L357 E358	I350-T354 HydrophobicContact CG2-CG2 4.17Å; I350-T354 VanDerWaalsContact O-CB 3.3Å; I350-T354 WeakPolarHBondContact O-CB 3.13Å; I350-T354 WeakPolarHBondContact O-CG2 3.47Å; I350-T354 PolarHBondContact O-N 3.4Å; I350-T354 PolarHBondContact O-OG1 3.06Å; I351-T354 WeakPolarHBondContact CA-OG1 3.34Å; I351-T354 PolarHBondContact O-OG1 3.04Å; T354-L357 PolarHBondContact O-N 3.42Å; T354-E358 WeakPolarHBondContact O-CB 3.47Å; T354-E358 PolarHBondContact O-N 3.3Å
355	V	97.1	Very high	97	Very high	82 Å²	82	103.1 Å²	103.1	50%	0.497	51%	0.505	S	S	.	.	H	α-helix	trans	-65.5	-40.7	175.4	171.4	0	0	0	0	111.7	I351 Q352 K359	I351-V355 VanDerWaalsContact O-CG2 3.28Å; I351-V355 WeakPolarHBondContact O-CG2 3.13Å; I351-V355 PolarHBondContact O-N 3.44Å; Q352-V355 PolarHBondContact O-N 2.85Å; V355-K359 PolarHBondContact O-N 3.37Å; V355-K359 VanDerWaalsContact O-N 3.17Å
356	E	97.2	Very high	97	Very high	91 Å²	91	100.8 Å²	100.8	43%	0.425	49%	0.492	S	S	.	.	H	α-helix	trans	-66.2	-42.6	175.8	-178.9	165.9	-174.6	0	0	111.7	Q352 D353 E358 K359 R360	Q352-E356 PolarHBondContact O-N 2.8Å; D353-E356 PolarHBondContact O-N 2.9Å; E356-E358 PolarHBondContact O-N 3.43Å; E356-K359 PolarHBondContact O-N 3.46Å; E356-R360 HydrophobicContact CG-CG 4.31Å; E356-R360 WeakPolarHBondContact O-CG 3.44Å; E356-R360 PolarHBondContact O-N 3.23Å
357	L	97.3	Very high	97	Very high	114 Å²	114	99.2 Å²	99.2	60%	0.597	49%	0.491	S	S	*	.	H	α-helix	trans	-59.1	-47.5	177	-176.6	66.2	0	0	0	110.8	D353 T354 K359 R360 T361	D353-L357 VanDerWaalsContact O-CB 3.22Å; D353-L357 WeakPolarHBondContact O-CB 3.41Å; D353-L357 PolarHBondContact O-N 3.16Å; T354-L357 PolarHBondContact O-N 3.42Å; L357-K359 VanDerWaalsContact C-N 3.3Å; L357-K359 PolarHBondContact O-N 3.44Å; L357-R360 PolarHBondContact O-N 2.84Å; L357-R360 VanDerWaalsContact O-N 3.11Å; L357-T361 HydrophobicContact CD1-CG2 4.44Å; L357-T361 HydrophobicContact CG-CG2 4.44Å; L357-T361 WeakPolarHBondContact O-CG2 3.46Å; L357-T361 PolarHBondContact O-N 2.83Å; L357-T361 PolarHBondContact O-OG1 3.45Å; L357-T361 VanDerWaalsContact O-OG1 3.07Å
358	E	97	Very high	97	Very high	139 Å²	139	98.6 Å²	98.6	65%	0.65	49%	0.49	S	S	*	.	H	α-helix	trans	-58.5	-41.7	178	-172.1	175.7	-168.9	0	0	111.9	T354 E356 T361 E362	T354-E358 WeakPolarHBondContact O-CB 3.47Å; T354-E358 PolarHBondContact O-N 3.3Å; E356-E358 PolarHBondContact O-N 3.43Å; E358-T361 VanDerWaalsContact C-OG1 3.29Å; E358-T361 VanDerWaalsContact CA-OG1 3.26Å; E358-T361 WeakPolarHBondContact CA-OG1 3.45Å; E358-T361 PolarHBondContact O-N 3.17Å; E358-T361 PolarHBondContact O-OG1 3.09Å; E358-E362 PolarHBondContact O-N 2.73Å
359	K	97.6	Very high	97	Very high	124 Å²	124	95.4 Å²	95.4	54%	0.539	48%	0.483	S	S	.	.	H	α-helix	trans	-64.1	-43.5	174.9	-177.2	-176.3	173.9	-171.3	0	112.1	V355 E356 L357 E362 E363	V355-K359 PolarHBondContact O-N 3.37Å; V355-K359 VanDerWaalsContact O-N 3.17Å; E356-K359 PolarHBondContact O-N 3.46Å; L357-K359 VanDerWaalsContact C-N 3.3Å; L357-K359 PolarHBondContact O-N 3.44Å; K359-E362 PolarHBondContact O-N 3.01Å; K359-E363 VanDerWaalsContact CE-OE1 3.25Å; K359-E363 WeakPolarHBondContact CE-OE1 3.47Å; K359-E363 WeakPolarHBondContact O-CG 3.28Å; K359-E363 PolarHBondContact O-N 3.28Å
360	R	97.2	Very high	97	Very high	139 Å²	139	96.5 Å²	96.5	53%	0.525	49%	0.488	S	S	.	.	H	α-helix	trans	-68	-37.7	179.3	-69.1	-59.9	-170.7	170.4	7.9	112.2	E356 L357 E362 E363 L364	E356-R360 HydrophobicContact CG-CG 4.31Å; E356-R360 WeakPolarHBondContact O-CG 3.44Å; E356-R360 PolarHBondContact O-N 3.23Å; L357-R360 PolarHBondContact O-N 2.84Å; L357-R360 VanDerWaalsContact O-N 3.11Å; R360-E362 VanDerWaalsContact C-N 3.35Å; R360-E363 WeakPolarHBondContact CD-OE2 3.32Å; R360-E363 IonicContact CZ-OE2 3.95Å; R360-E363 IonicContact NH1-OE2 2.73Å; R360-E363 PolarHBondContact NH1-OE2 3.41Å; R360-E363 VanDerWaalsContact NH1-OE2 3.1Å; R360-E363 PolarHBondContact O-N 3.37Å; R360-L364 WeakPolarHBondContact O-CB 3.49Å; R360-L364 PolarHBondContact O-N 3.16Å
361	T	96.8	Very high	97.1	Very high	61 Å²	61	98.7 Å²	98.7	37%	0.374	49%	0.491	S	S	.	.	H	α-helix	trans	-63.1	-43	174.3	47.7	0	0	0	0	110.7	L357 E358 E363 L364 D365	L357-T361 HydrophobicContact CD1-CG2 4.44Å; L357-T361 HydrophobicContact CG-CG2 4.44Å; L357-T361 WeakPolarHBondContact O-CG2 3.46Å; L357-T361 PolarHBondContact O-N 2.83Å; L357-T361 PolarHBondContact O-OG1 3.45Å; L357-T361 VanDerWaalsContact O-OG1 3.07Å; E358-T361 VanDerWaalsContact C-OG1 3.29Å; E358-T361 VanDerWaalsContact CA-OG1 3.26Å; E358-T361 WeakPolarHBondContact CA-OG1 3.45Å; E358-T361 PolarHBondContact O-N 3.17Å; E358-T361 PolarHBondContact O-OG1 3.09Å; T361-E363 PolarHBondContact O-N 3.23Å; T361-L364 PolarHBondContact O-N 2.92Å; T361-D365 WeakPolarHBondContact O-CB 3.34Å; T361-D365 VanDerWaalsContact O-CG 3.24Å; T361-D365 PolarHBondContact O-N 3.37Å
362	E	97.1	Very high	97	Very high	105 Å²	105	97.7 Å²	97.7	49%	0.491	49%	0.487	S	S	.	.	H	α-helix	trans	-67	-37.1	176.9	-161.5	-157.2	-177.2	0	0	112.7	E358 K359 R360 R366	E358-E362 PolarHBondContact O-N 2.73Å; K359-E362 PolarHBondContact O-N 3.01Å; R360-E362 VanDerWaalsContact C-N 3.35Å; E362-R366 VanDerWaalsContact CD-CZ 3.47Å; E362-R366 WeakPolarHBondContact O-CG 3.44Å; E362-R366 PolarHBondContact O-N 2.74Å; E362-R366 VanDerWaalsContact O-N 3.11Å; E362-R366 PolarHBondContact O-NE 3.2Å; E362-R366 IonicContact OE1-CZ 3.34Å; E362-R366 IonicContact OE1-NH1 4Å; E362-R366 PolarHBondContact OE1-NH1 3.13Å; E362-R366 IonicContact OE1-NH2 2.86Å; E362-R366 IonicContact OE2-CZ 3.1Å; E362-R366 IonicContact OE2-NH1 3.68Å; E362-R366 PolarHBondContact OE2-NH1 2.88Å; E362-R366 IonicContact OE2-NH2 3.72Å; E362-R366 PolarHBondContact OE2-NH2 3Å
363	E	97.3	Very high	97	Very high	71 Å²	71	97.1 Å²	97.1	33%	0.332	49%	0.488	S	S	.	.	H	α-helix	trans	-61.5	-43	170.6	-75.3	174.6	-175	0	0	112.2	K359 R360 T361 A367	K359-E363 VanDerWaalsContact CE-OE1 3.25Å; K359-E363 WeakPolarHBondContact CE-OE1 3.47Å; K359-E363 WeakPolarHBondContact O-CG 3.28Å; K359-E363 PolarHBondContact O-N 3.28Å; R360-E363 WeakPolarHBondContact CD-OE2 3.32Å; R360-E363 IonicContact CZ-OE2 3.95Å; R360-E363 IonicContact NH1-OE2 2.73Å; R360-E363 PolarHBondContact NH1-OE2 3.41Å; R360-E363 VanDerWaalsContact NH1-OE2 3.1Å; R360-E363 PolarHBondContact O-N 3.37Å; T361-E363 PolarHBondContact O-N 3.23Å; E363-A367 WeakPolarHBondContact O-CB 3.5Å; E363-A367 PolarHBondContact O-N 2.84Å
364	L	97.3	Very high	97	Very high	109 Å²	109	100.1 Å²	100.1	57%	0.571	50%	0.499	S	S	*	.	H	α-helix	trans	-66.8	-43	178.3	-178.1	62.9	0	0	0	111.7	R360 T361 R366 A367 T368	R360-L364 WeakPolarHBondContact O-CB 3.49Å; R360-L364 PolarHBondContact O-N 3.16Å; T361-L364 PolarHBondContact O-N 2.92Å; L364-R366 PolarHBondContact O-N 3.1Å; L364-A367 PolarHBondContact O-N 3.33Å; L364-T368 WeakPolarHBondContact O-CB 3.39Å; L364-T368 PolarHBondContact O-N 3.49Å; L364-T368 PolarHBondContact O-OG1 2.89Å
365	D	96.8	Very high	97	Very high	101 Å²	101	101.5 Å²	101.5	54%	0.54	50%	0.499	S	S	.	.	H	α-helix	trans	-60.3	-46.8	177.2	-71.6	-17.7	0	0	0	110.4	T361 A367 T368 T369	T361-D365 WeakPolarHBondContact O-CB 3.34Å; T361-D365 VanDerWaalsContact O-CG 3.24Å; T361-D365 PolarHBondContact O-N 3.37Å; D365-A367 PolarHBondContact O-N 3.25Å; D365-T368 PolarHBondContact O-N 3.41Å; D365-T369 PolarHBondContact O-N 3.06Å; D365-T369 PolarHBondContact O-OG1 3.09Å; D365-T369 VanDerWaalsContact O-OG1 3.08Å
366	R	96.9	Very high	97	Very high	109 Å²	109	101.7 Å²	101.7	41%	0.411	50%	0.496	S	S	.	.	H	α-helix	trans	-58.7	-45.7	174.9	-77	-176.8	-74.6	-112.6	-5.2	112.9	E362 L364 T368 T369 Q370	E362-R366 VanDerWaalsContact CD-CZ 3.47Å; E362-R366 WeakPolarHBondContact O-CG 3.44Å; E362-R366 PolarHBondContact O-N 2.74Å; E362-R366 VanDerWaalsContact O-N 3.11Å; E362-R366 PolarHBondContact O-NE 3.2Å; E362-R366 IonicContact OE1-CZ 3.34Å; E362-R366 IonicContact OE1-NH1 4Å; E362-R366 PolarHBondContact OE1-NH1 3.13Å; E362-R366 IonicContact OE1-NH2 2.86Å; E362-R366 IonicContact OE2-CZ 3.1Å; E362-R366 IonicContact OE2-NH1 3.68Å; E362-R366 PolarHBondContact OE2-NH1 2.88Å; E362-R366 IonicContact OE2-NH2 3.72Å; E362-R366 PolarHBondContact OE2-NH2 3Å; L364-R366 PolarHBondContact O-N 3.1Å; R366-T368 VanDerWaalsContact C-N 3.32Å; R366-T369 PolarHBondContact O-N 3.25Å; R366-Q370 WeakPolarHBondContact O-CG 3.3Å; R366-Q370 PolarHBondContact O-N 2.9Å; R366-Q370 VanDerWaalsContact O-N 3.1Å
367	A	97.2	Very high	97	Very high	53 Å²	53	100 Å²	100	44%	0.438	50%	0.497	S	S	.	.	H	α-helix	trans	-65.4	-38	178.7	0	0	0	0	0	111.7	E363 L364 D365 Q370 Y371	E363-A367 WeakPolarHBondContact O-CB 3.5Å; E363-A367 PolarHBondContact O-N 2.84Å; L364-A367 PolarHBondContact O-N 3.33Å; D365-A367 PolarHBondContact O-N 3.25Å; A367-Q370 PolarHBondContact O-N 3.46Å; A367-Y371 WeakPolarHBondContact O-CB 3.48Å; A367-Y371 PolarHBondContact O-N 3.18Å
368	T	96.5	Very high	97	Very high	62 Å²	62	99.3 Å²	99.3	38%	0.38	49%	0.494	S	S	.	.	H	α-helix	trans	-66.5	-43.3	177.9	-56	0	0	0	0	111.2	L364 D365 R366 Y371 N372	L364-T368 WeakPolarHBondContact O-CB 3.39Å; L364-T368 PolarHBondContact O-N 3.49Å; L364-T368 PolarHBondContact O-OG1 2.89Å; D365-T368 PolarHBondContact O-N 3.41Å; R366-T368 VanDerWaalsContact C-N 3.32Å; T368-Y371 PolarHBondContact O-N 3.37Å; T368-N372 WeakPolarHBondContact O-CB 3.4Å; T368-N372 PolarHBondContact O-N 3.45Å; T368-N372 PolarHBondContact O-ND2 2.94Å
369	T	96.6	Very high	96.9	Very high	78 Å²	78	96.5 Å²	96.5	48%	0.479	48%	0.482	S	S	.	.	H	α-helix	trans	-58.7	-49	173.3	-55.5	0	0	0	0	111.4	D365 R366 Y371 N372 D373	D365-T369 PolarHBondContact O-N 3.06Å; D365-T369 PolarHBondContact O-OG1 3.09Å; D365-T369 VanDerWaalsContact O-OG1 3.08Å; R366-T369 PolarHBondContact O-N 3.25Å; T369-Y371 VanDerWaalsContact C-N 3.34Å; T369-Y371 PolarHBondContact O-N 3.25Å; T369-N372 PolarHBondContact O-N 3.05Å; T369-D373 VanDerWaalsContact O-CG 3.27Å; T369-D373 PolarHBondContact O-N 3.21Å
370	Q	96.9	Very high	96.8	Very high	123 Å²	123	95.6 Å²	95.6	58%	0.575	48%	0.48	S	S	*	.	H	α-helix	trans	-61.5	-40.4	178.6	-71.5	177.5	1.4	0	0	113	R366 A367 D373 Q374	R366-Q370 WeakPolarHBondContact O-CG 3.3Å; R366-Q370 PolarHBondContact O-N 2.9Å; R366-Q370 VanDerWaalsContact O-N 3.1Å; A367-Q370 PolarHBondContact O-N 3.46Å; Q370-D373 PolarHBondContact O-N 2.84Å; Q370-Q374 WeakPolarHBondContact O-CG 3.31Å; Q370-Q374 PolarHBondContact O-N 3.44Å
371	Y	97.4	Very high	96.6	Very high	143 Å²	143	91.4 Å²	91.4	56%	0.561	47%	0.474	S	S	*	.	H	α-helix	trans	-62.5	-43.7	175.5	173	-99.5	0	0	0	111.6	A367 T368 T369 Q374 K375	A367-Y371 WeakPolarHBondContact O-CB 3.48Å; A367-Y371 PolarHBondContact O-N 3.18Å; T368-Y371 PolarHBondContact O-N 3.37Å; T369-Y371 VanDerWaalsContact C-N 3.34Å; T369-Y371 PolarHBondContact O-N 3.25Å; Y371-Q374 PolarHBondContact O-N 3.24Å; Y371-K375 HydrophobicContact CE1-CD 4.28Å; Y371-K375 VanDerWaalsContact O-CB 3.31Å; Y371-K375 WeakPolarHBondContact O-CB 3.49Å; Y371-K375 PolarHBondContact O-N 3.3Å
372	N	96.4	Very high	96.5	Very high	85 Å²	85	92.6 Å²	92.6	46%	0.455	48%	0.476	S	S	.	.	H	α-helix	trans	-64.4	-43	178	-69.7	-21.2	0	0	0	111.8	T368 T369 Q374 K375 L376	T368-N372 WeakPolarHBondContact O-CB 3.4Å; T368-N372 PolarHBondContact O-N 3.45Å; T368-N372 PolarHBondContact O-ND2 2.94Å; T369-N372 PolarHBondContact O-N 3.05Å; N372-Q374 PolarHBondContact O-N 2.92Å; N372-K375 PolarHBondContact O-N 2.91Å; N372-L376 WeakPolarHBondContact O-CB 3.37Å; N372-L376 PolarHBondContact O-N 3.2Å
373	D	96.9	Very high	96.3	Very high	98 Å²	98	93.5 Å²	93.5	52%	0.524	48%	0.48	S	S	.	.	H	α-helix	trans	-61.5	-44.4	176.8	-66.7	-17.7	0	0	0	111.6	T369 Q370 L376 A377	T369-D373 VanDerWaalsContact O-CG 3.27Å; T369-D373 PolarHBondContact O-N 3.21Å; Q370-D373 PolarHBondContact O-N 2.84Å; D373-L376 PolarHBondContact O-N 3.1Å; D373-A377 PolarHBondContact O-N 3.06Å
374	Q	97.4	Very high	96.1	Very high	141 Å²	141	96.5 Å²	96.5	66%	0.659	49%	0.494	S	S	*	.	H	α-helix	trans	-66.1	-39.7	176.9	-73.5	178.4	0	0	0	112.3	Q370 Y371 N372 L376 A377 L378	Q370-Q374 WeakPolarHBondContact O-CG 3.31Å; Q370-Q374 PolarHBondContact O-N 3.44Å; Y371-Q374 PolarHBondContact O-N 3.24Å; N372-Q374 PolarHBondContact O-N 2.92Å; Q374-L376 VanDerWaalsContact C-N 3.33Å; Q374-A377 PolarHBondContact O-N 3.26Å; Q374-L378 WeakPolarHBondContact O-CB 3.4Å; Q374-L378 PolarHBondContact O-N 3Å
375	K	96.9	Very high	95.8	Very high	104 Å²	104	97 Å²	97	45%	0.452	50%	0.495	S	S	.	.	H	α-helix	trans	-64.1	-40.5	176.6	-173.4	178.3	178	-174	0	111	Y371 N372 L378 M379	Y371-K375 HydrophobicContact CE1-CD 4.28Å; Y371-K375 VanDerWaalsContact O-CB 3.31Å; Y371-K375 WeakPolarHBondContact O-CB 3.49Å; Y371-K375 PolarHBondContact O-N 3.3Å; N372-K375 PolarHBondContact O-N 2.91Å; K375-L378 PolarHBondContact O-N 3.06Å; K375-M379 HydrophobicContact CG-CE 4.34Å; K375-M379 WeakPolarHBondContact O-CG 3.33Å; K375-M379 PolarHBondContact O-N 3.36Å
376	L	96.8	Very high	95.4	Very high	86 Å²	86	98 Å²	98	45%	0.45	50%	0.496	S	S	.	.	H	α-helix	trans	-61.4	-49.4	174.8	-177.2	61.5	0	0	0	111.4	N372 D373 Q374 L378 M379 E380	N372-L376 WeakPolarHBondContact O-CB 3.37Å; N372-L376 PolarHBondContact O-N 3.2Å; D373-L376 PolarHBondContact O-N 3.1Å; Q374-L376 VanDerWaalsContact C-N 3.33Å; L376-L378 VanDerWaalsContact C-N 3.27Å; L376-L378 PolarHBondContact O-N 3.35Å; L376-M379 HydrophobicContact CB-CE 4.49Å; L376-M379 HydrophobicContact CD1-CE 4.07Å; L376-M379 PolarHBondContact O-N 3.28Å; L376-M379 VanDerWaalsContact O-N 3.12Å; L376-E380 WeakPolarHBondContact O-CG 3.45Å; L376-E380 PolarHBondContact O-N 3.22Å
377	A	97	Very high	95	Very high	54 Å²	54	96.7 Å²	96.7	45%	0.446	50%	0.503	S	S	.	.	H	α-helix	trans	-60.9	-34.9	177.7	0	0	0	0	0	113.2	D373 Q374 A381	D373-A377 PolarHBondContact O-N 3.06Å; Q374-A377 PolarHBondContact O-N 3.26Å; A377-A381 WeakPolarHBondContact O-CB 3.42Å; A377-A381 PolarHBondContact O-N 3.19Å; A377-A381 VanDerWaalsContact O-N 3.1Å
378	L	96.8	Very high	94.5	Very high	100 Å²	100	99.1 Å²	99.1	52%	0.524	51%	0.508	S	S	.	.	H	α-helix	trans	-65.9	-45.5	174	-179.2	66.1	0	0	0	111.4	Q374 K375 L376 A381 E382	Q374-L378 WeakPolarHBondContact O-CB 3.4Å; Q374-L378 PolarHBondContact O-N 3Å; K375-L378 PolarHBondContact O-N 3.06Å; L376-L378 VanDerWaalsContact C-N 3.27Å; L376-L378 PolarHBondContact O-N 3.35Å; L378-A381 PolarHBondContact O-N 3.15Å; L378-E382 WeakPolarHBondContact O-CG 3.41Å; L378-E382 PolarHBondContact O-N 2.97Å
379	M	95.4	Very high	94.2	Very high	81 Å²	81	102.7 Å²	102.7	40%	0.399	52%	0.52	S	S	.	.	H	α-helix	trans	-61.4	-45.6	178	-70.4	-177.1	-59.3	0	0	111.3	K375 L376 A381 E382 E383	K375-M379 HydrophobicContact CG-CE 4.34Å; K375-M379 WeakPolarHBondContact O-CG 3.33Å; K375-M379 PolarHBondContact O-N 3.36Å; L376-M379 HydrophobicContact CB-CE 4.49Å; L376-M379 HydrophobicContact CD1-CE 4.07Å; L376-M379 PolarHBondContact O-N 3.28Å; L376-M379 VanDerWaalsContact O-N 3.12Å; M379-A381 VanDerWaalsContact C-N 3.33Å; M379-A381 PolarHBondContact O-N 2.93Å; M379-E382 PolarHBondContact O-N 3.28Å; M379-E383 WeakPolarHBondContact O-CG 3.33Å; M379-E383 PolarHBondContact O-N 2.96Å
380	E	94.7	Very high	93.7	Very high	105 Å²	105	102.8 Å²	102.8	49%	0.491	52%	0.524	S	S	.	.	H	α-helix	trans	-57.8	-44.7	175.4	-70.3	174.4	178.5	0	0	111.7	L376 E382 E383 E384	L376-E380 WeakPolarHBondContact O-CG 3.45Å; L376-E380 PolarHBondContact O-N 3.22Å; E380-E382 PolarHBondContact O-N 3.34Å; E380-E383 PolarHBondContact O-N 2.71Å; E380-E384 WeakPolarHBondContact O-CG 3.29Å; E380-E384 PolarHBondContact O-N 3.32Å
381	A	93.7	Very high	93.3	Very high	50 Å²	50	105.4 Å²	105.4	41%	0.413	53%	0.529	S	S	.	.	H	α-helix	trans	-66.2	-36.2	177.9	0	0	0	0	0	113	A377 L378 M379 M385	A377-A381 WeakPolarHBondContact O-CB 3.42Å; A377-A381 PolarHBondContact O-N 3.19Å; A377-A381 VanDerWaalsContact O-N 3.1Å; L378-A381 PolarHBondContact O-N 3.15Å; M379-A381 VanDerWaalsContact C-N 3.33Å; M379-A381 PolarHBondContact O-N 2.93Å; A381-M385 WeakPolarHBondContact O-CB 3.42Å; A381-M385 PolarHBondContact O-N 2.82Å
382	E	94.8	Very high	92.9	Very high	86 Å²	86	102.6 Å²	102.6	40%	0.402	52%	0.523	S	S	.	.	H	α-helix	trans	-66.7	-43.3	175	-75.3	178.9	172.4	0	0	111.6	L378 M379 E380 M385 Q386	L378-E382 WeakPolarHBondContact O-CG 3.41Å; L378-E382 PolarHBondContact O-N 2.97Å; M379-E382 PolarHBondContact O-N 3.28Å; E380-E382 PolarHBondContact O-N 3.34Å; E382-M385 WeakPolarHBondContact O-CB 3.43Å; E382-M385 PolarHBondContact O-N 3.12Å; E382-Q386 VanDerWaalsContact O-CG 3.3Å; E382-Q386 WeakPolarHBondContact O-CG 3.17Å; E382-Q386 PolarHBondContact O-N 2.92Å
383	E	92.2	Very high	92.5	Very high	124 Å²	124	102 Å²	102	58%	0.579	53%	0.526	S	S	*	.	H	α-helix	trans	-61.7	-44.5	175	-72.8	178.2	-177.3	0	0	111.9	M379 E380 M385 Q386 C387	M379-E383 WeakPolarHBondContact O-CG 3.33Å; M379-E383 PolarHBondContact O-N 2.96Å; E380-E383 PolarHBondContact O-N 2.71Å; E383-M385 VanDerWaalsContact C-N 3.32Å; E383-M385 PolarHBondContact O-N 2.91Å; E383-Q386 PolarHBondContact O-N 3.48Å; E383-C387 WeakPolarHBondContact O-CB 3.39Å; E383-C387 PolarHBondContact O-N 3.09Å; E383-C387 PolarHBondContact O-SG 3.36Å
384	E	93	Very high	92.1	Very high	135 Å²	135	103.2 Å²	103.2	63%	0.631	52%	0.524	S	S	*	.	H	α-helix	trans	-59.1	-43.7	174.4	-76.7	-171.2	175.5	0	0	111.7	E380 C387 L388	E380-E384 WeakPolarHBondContact O-CG 3.29Å; E380-E384 PolarHBondContact O-N 3.32Å; E384-C387 WeakPolarHBondContact O-CB 3.4Å; E384-C387 PolarHBondContact O-N 2.81Å; E384-L388 WeakPolarHBondContact O-CG 3.42Å; E384-L388 PolarHBondContact O-N 2.87Å
385	M	91	Very high	91.7	Very high	119 Å²	119	99.1 Å²	99.1	59%	0.586	51%	0.514	S	S	*	.	H	α-helix	trans	-61.7	-45.7	178.2	-164.4	-168.9	-29.2	0	0	111.5	A381 E382 E383 C387 L388 E389	A381-M385 WeakPolarHBondContact O-CB 3.42Å; A381-M385 PolarHBondContact O-N 2.82Å; E382-M385 WeakPolarHBondContact O-CB 3.43Å; E382-M385 PolarHBondContact O-N 3.12Å; E383-M385 VanDerWaalsContact C-N 3.32Å; E383-M385 PolarHBondContact O-N 2.91Å; M385-C387 VanDerWaalsContact C-N 3.33Å; M385-C387 PolarHBondContact O-N 3.16Å; M385-L388 PolarHBondContact O-N 3.45Å; M385-E389 WeakPolarHBondContact O-CB 3.31Å; M385-E389 PolarHBondContact O-N 3.44Å
386	Q	88.6	Confident	91.3	Very high	122 Å²	122	102.3 Å²	102.3	57%	0.57	52%	0.524	S	S	*	.	H	α-helix	trans	-63.7	-39.5	177.8	-70.5	174.9	28.3	0	0	111.7	E382 E383 E389 S390	E382-Q386 VanDerWaalsContact O-CG 3.3Å; E382-Q386 WeakPolarHBondContact O-CG 3.17Å; E382-Q386 PolarHBondContact O-N 2.92Å; E383-Q386 PolarHBondContact O-N 3.48Å; Q386-E389 PolarHBondContact O-N 3.38Å; Q386-S390 WeakPolarHBondContact O-CB 3.43Å; Q386-S390 PolarHBondContact O-N 2.87Å; Q386-S390 PolarHBondContact O-OG 2.95Å
387	C	88.6	Confident	90.8	Very high	81 Å²	81	102.1 Å²	102.1	55%	0.547	53%	0.529	S	S	.	.	H	α-helix	trans	-62.6	-43.5	174.2	-83.6	0	0	0	0	112.1	E383 E384 M385 R391	E383-C387 WeakPolarHBondContact O-CB 3.39Å; E383-C387 PolarHBondContact O-N 3.09Å; E383-C387 PolarHBondContact O-SG 3.36Å; E384-C387 WeakPolarHBondContact O-CB 3.4Å; E384-C387 PolarHBondContact O-N 2.81Å; M385-C387 VanDerWaalsContact C-N 3.33Å; M385-C387 PolarHBondContact O-N 3.16Å; C387-R391 VanDerWaalsContact O-CG 3.32Å; C387-R391 WeakPolarHBondContact O-CG 3.45Å; C387-R391 PolarHBondContact O-N 3.48Å; C387-R391 VanDerWaalsContact O-N 3.11Å
388	L	87.1	Confident	90.4	Very high	104 Å²	104	101 Å²	101	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-66.7	-42.9	176.4	-72.7	174.2	0	0	0	112.1	E384 M385 S390 R391 L392	E384-L388 WeakPolarHBondContact O-CG 3.42Å; E384-L388 PolarHBondContact O-N 2.87Å; M385-L388 PolarHBondContact O-N 3.45Å; L388-S390 VanDerWaalsContact C-N 3.34Å; L388-S390 PolarHBondContact O-N 3.47Å; L388-R391 PolarHBondContact O-N 3.32Å; L388-L392 WeakPolarHBondContact O-CB 3.39Å; L388-L392 PolarHBondContact O-N 2.73Å
389	E	90.5	Very high	89.9	Confident	137 Å²	137	100.8 Å²	100.8	64%	0.64	51%	0.514	S	S	*	.	H	α-helix	trans	-60.7	-44.4	177	-178	163.5	-154.5	0	0	111.5	M385 Q386 R391 L392 S393	M385-E389 WeakPolarHBondContact O-CB 3.31Å; M385-E389 PolarHBondContact O-N 3.44Å; Q386-E389 PolarHBondContact O-N 3.38Å; E389-R391 PolarHBondContact O-N 3.11Å; E389-L392 WeakPolarHBondContact O-CB 3.47Å; E389-L392 PolarHBondContact O-N 2.75Å; E389-S393 WeakPolarHBondContact O-CB 3.45Å; E389-S393 PolarHBondContact O-N 3.22Å
390	S	84.8	Confident	89.2	Confident	80 Å²	80	102 Å²	102	56%	0.559	52%	0.518	S	S	*	.	H	α-helix	trans	-59.6	-44.4	176	-64	0	0	0	0	112	Q386 L388 L392 S393 Y394	Q386-S390 WeakPolarHBondContact O-CB 3.43Å; Q386-S390 PolarHBondContact O-N 2.87Å; Q386-S390 PolarHBondContact O-OG 2.95Å; L388-S390 VanDerWaalsContact C-N 3.34Å; L388-S390 PolarHBondContact O-N 3.47Å; S390-L392 VanDerWaalsContact C-N 3.34Å; S390-L392 PolarHBondContact O-N 2.98Å; S390-S393 PolarHBondContact O-N 3.08Å; S390-Y394 PolarHBondContact O-N 2.96Å
391	R	89.3	Confident	88.6	Confident	179 Å²	179	102.8 Å²	102.8	68%	0.675	52%	0.517	S	S	*	.	H	α-helix	trans	-63.5	-40.1	175.5	-73.5	170.8	62.9	167.5	-1.4	112.3	C387 L388 E389 Y394 A395	C387-R391 VanDerWaalsContact O-CG 3.32Å; C387-R391 WeakPolarHBondContact O-CG 3.45Å; C387-R391 PolarHBondContact O-N 3.48Å; C387-R391 VanDerWaalsContact O-N 3.11Å; L388-R391 PolarHBondContact O-N 3.32Å; E389-R391 PolarHBondContact O-N 3.11Å; R391-Y394 PolarHBondContact O-N 2.94Å; R391-A395 WeakPolarHBondContact O-CB 3.31Å; R391-A395 PolarHBondContact O-N 2.84Å
392	L	89.7	Confident	88.1	Confident	83 Å²	83	103.9 Å²	103.9	44%	0.435	52%	0.515	S	S	.	.	H	α-helix	trans	-65.8	-46.1	179	-158.8	169.2	0	0	0	110.1	L388 E389 S390 Y394 A395 R396	L388-L392 WeakPolarHBondContact O-CB 3.39Å; L388-L392 PolarHBondContact O-N 2.73Å; E389-L392 WeakPolarHBondContact O-CB 3.47Å; E389-L392 PolarHBondContact O-N 2.75Å; S390-L392 VanDerWaalsContact C-N 3.34Å; S390-L392 PolarHBondContact O-N 2.98Å; L392-Y394 PolarHBondContact O-N 2.8Å; L392-A395 PolarHBondContact O-N 3.34Å; L392-R396 VanDerWaalsContact CD2-CD 3.47Å; L392-R396 HydrophobicContact CD2-CG 3.87Å; L392-R396 WeakPolarHBondContact O-CB 3.49Å; L392-R396 WeakPolarHBondContact O-CG 3.5Å; L392-R396 PolarHBondContact O-N 2.86Å
393	S	88	Confident	87.4	Confident	74 Å²	74	104.6 Å²	104.6	52%	0.517	52%	0.518	S	S	.	.	H	α-helix	trans	-56.9	-48	174.3	-175.2	0	0	0	0	111.9	E389 S390 A395 R396 S397	E389-S393 WeakPolarHBondContact O-CB 3.45Å; E389-S393 PolarHBondContact O-N 3.22Å; S390-S393 PolarHBondContact O-N 3.08Å; S393-A395 PolarHBondContact O-N 3.4Å; S393-R396 PolarHBondContact O-N 3.47Å; S393-S397 PolarHBondContact O-N 3.13Å
394	Y	87.4	Confident	86.7	Confident	122 Å²	122	107.2 Å²	107.2	48%	0.478	52%	0.523	S	S	.	.	H	α-helix	trans	-58.8	-48.3	175.5	176.6	-95.1	0	0	0	112.3	N79 S390 R391 L392 R396 S397 H398	N79-Y394 PolarHBondContact OD1-OH 3.31Å; S390-Y394 PolarHBondContact O-N 2.96Å; R391-Y394 PolarHBondContact O-N 2.94Å; L392-Y394 PolarHBondContact O-N 2.8Å; Y394-R396 VanDerWaalsContact C-N 3.32Å; Y394-R396 PolarHBondContact O-N 3.23Å; Y394-S397 PolarHBondContact O-N 3.31Å; Y394-H398 WeakPolarHBondContact O-CB 3.38Å; Y394-H398 PolarHBondContact O-N 3.34Å
395	A	89.5	Confident	86.3	Confident	56 Å²	56	103.2 Å²	103.2	46%	0.463	51%	0.508	S	S	.	.	H	α-helix	trans	-61.4	-39.7	179.1	0	0	0	0	0	112.1	R391 L392 S393 H398 L399	R391-A395 WeakPolarHBondContact O-CB 3.31Å; R391-A395 PolarHBondContact O-N 2.84Å; L392-A395 PolarHBondContact O-N 3.34Å; S393-A395 PolarHBondContact O-N 3.4Å; A395-H398 PolarHBondContact O-N 3.49Å; A395-L399 WeakPolarHBondContact O-CB 3.48Å; A395-L399 PolarHBondContact O-N 3.24Å
396	R	88.4	Confident	85.9	Confident	171 Å²	171	99.2 Å²	99.2	65%	0.645	49%	0.489	S	S	*	.	H	α-helix	trans	-62.9	-48.2	174.6	-79.1	176	173.5	158	4.4	111.7	L392 S393 Y394 H398 L399 H400	L392-R396 VanDerWaalsContact CD2-CD 3.47Å; L392-R396 HydrophobicContact CD2-CG 3.87Å; L392-R396 WeakPolarHBondContact O-CB 3.49Å; L392-R396 WeakPolarHBondContact O-CG 3.5Å; L392-R396 PolarHBondContact O-N 2.86Å; S393-R396 PolarHBondContact O-N 3.47Å; Y394-R396 VanDerWaalsContact C-N 3.32Å; Y394-R396 PolarHBondContact O-N 3.23Å; R396-H398 VanDerWaalsContact C-N 3.3Å; R396-H398 PolarHBondContact O-N 3.13Å; R396-L399 PolarHBondContact O-N 2.84Å; R396-H400 WeakPolarHBondContact O-CB 3.41Å; R396-H400 PolarHBondContact O-N 3.49Å
397	S	87	Confident	85.9	Confident	81 Å²	81	98.3 Å²	98.3	57%	0.566	49%	0.492	S	S	*	.	H	α-helix	trans	-59.2	-43.4	176.6	-178.5	0	0	0	0	111.4	S393 Y394 H400 R401	S393-S397 PolarHBondContact O-N 3.13Å; Y394-S397 PolarHBondContact O-N 3.31Å; S397-H400 PolarHBondContact O-N 2.89Å; S397-R401 WeakPolarHBondContact O-CB 3.42Å; S397-R401 PolarHBondContact O-N 3.34Å
398	H	87.9	Confident	85.9	Confident	32 Å²	32	95.6 Å²	95.6	15%	0.148	47%	0.472	C	S	.	.	H	α-helix	trans	-63.9	-43.7	177.2	-168.6	-86.8	0	0	0	112.5	Y394 A395 R396 R401 L402	Y394-H398 WeakPolarHBondContact O-CB 3.38Å; Y394-H398 PolarHBondContact O-N 3.34Å; A395-H398 PolarHBondContact O-N 3.49Å; R396-H398 VanDerWaalsContact C-N 3.3Å; R396-H398 PolarHBondContact O-N 3.13Å; H398-R401 PolarHBondContact CD2-NH2 3.35Å; H398-R401 PolarHBondContact NE2-NH2 3.23Å; H398-R401 PolarHBondContact O-N 3.43Å; H398-L402 WeakPolarHBondContact O-CG 3.47Å; H398-L402 PolarHBondContact O-N 3.42Å
399	L	85.8	Confident	86	Confident	95 Å²	95	94.2 Å²	94.2	50%	0.497	47%	0.465	S	S	.	.	H	α-helix	trans	-60.4	-46	174.8	-179.1	66.8	0	0	0	111.2	A395 R396 R401 L402 Q403	A395-L399 WeakPolarHBondContact O-CB 3.48Å; A395-L399 PolarHBondContact O-N 3.24Å; R396-L399 PolarHBondContact O-N 2.84Å; L399-R401 VanDerWaalsContact C-N 3.32Å; L399-R401 PolarHBondContact O-N 3.47Å; L399-L402 PolarHBondContact O-N 3.33Å; L399-Q403 HydrophobicContact CD1-CG 4.44Å; L399-Q403 HydrophobicContact CG-CG 4.46Å; L399-Q403 WeakPolarHBondContact O-CB 3.45Å; L399-Q403 WeakPolarHBondContact O-CG 3.38Å; L399-Q403 PolarHBondContact O-N 2.87Å
400	H	81.8	Confident	86	Confident	106 Å²	106	93.1 Å²	93.1	49%	0.491	46%	0.462	S	S	.	.	H	α-helix	trans	-60.4	-42.2	178.1	-178.3	-111.5	0	0	0	111.7	R396 S397 Q403 R404	R396-H400 WeakPolarHBondContact O-CB 3.41Å; R396-H400 PolarHBondContact O-N 3.49Å; S397-H400 PolarHBondContact O-N 2.89Å; H400-Q403 PolarHBondContact O-N 3.46Å; H400-R404 WeakPolarHBondContact CE1-CD 3.4Å; H400-R404 WeakPolarHBondContact O-CG 3.42Å; H400-R404 PolarHBondContact O-N 3.13Å; H400-R404 VanDerWaalsContact O-N 3.13Å
401	R	82.7	Confident	86.3	Confident	122 Å²	122	91.6 Å²	91.6	46%	0.46	45%	0.454	S	S	.	.	H	α-helix	trans	-60.9	-45.7	173.8	-173	176.5	65.8	84.9	-1.9	112.2	S397 H398 L399 R404 T405	S397-R401 WeakPolarHBondContact O-CB 3.42Å; S397-R401 PolarHBondContact O-N 3.34Å; H398-R401 PolarHBondContact CD2-NH2 3.35Å; H398-R401 PolarHBondContact NE2-NH2 3.23Å; H398-R401 PolarHBondContact O-N 3.43Å; L399-R401 VanDerWaalsContact C-N 3.32Å; L399-R401 PolarHBondContact O-N 3.47Å; R401-R404 PolarHBondContact O-N 2.71Å; R401-T405 PolarHBondContact O-N 3.02Å; R401-T405 PolarHBondContact O-OG1 3.49Å
402	L	82.3	Confident	86.6	Confident	72 Å²	72	83.6 Å²	83.6	38%	0.377	42%	0.424	S	S	.	.	H	α-helix	trans	-64.6	-39.7	177.5	-72.2	177.4	0	0	0	112.6	H398 L399 R404 T405	H398-L402 WeakPolarHBondContact O-CG 3.47Å; H398-L402 PolarHBondContact O-N 3.42Å; L399-L402 PolarHBondContact O-N 3.33Å; L402-R404 VanDerWaalsContact C-N 3.33Å; L402-R404 PolarHBondContact O-N 3.31Å; L402-T405 PolarHBondContact O-N 3.12Å
403	Q	79.8	Confident	86.7	Confident	101 Å²	101	82.3 Å²	82.3	47%	0.472	42%	0.421	S	S	.	.	H	α-helix	trans	-64.4	-36.7	178.3	-75.5	176.6	-14.7	0	0	112.5	L399 H400 T405	L399-Q403 HydrophobicContact CD1-CG 4.44Å; L399-Q403 HydrophobicContact CG-CG 4.46Å; L399-Q403 WeakPolarHBondContact O-CB 3.45Å; L399-Q403 WeakPolarHBondContact O-CG 3.38Å; L399-Q403 PolarHBondContact O-N 2.87Å; H400-Q403 PolarHBondContact O-N 3.46Å; Q403-T405 VanDerWaalsContact C-N 3.31Å
404	R	78.1	Confident	87	Confident	179 Å²	179	79.1 Å²	79.1	68%	0.675	40%	0.398	S	S	*	.	H	α-helix	trans	-76.7	-18	177.3	-68.2	174.3	63.2	80.4	0.4	113.5	H400 R401 L402 N406	H400-R404 WeakPolarHBondContact CE1-CD 3.4Å; H400-R404 WeakPolarHBondContact O-CG 3.42Å; H400-R404 PolarHBondContact O-N 3.13Å; H400-R404 VanDerWaalsContact O-N 3.13Å; R401-R404 PolarHBondContact O-N 2.71Å; L402-R404 VanDerWaalsContact C-N 3.33Å; L402-R404 PolarHBondContact O-N 3.31Å; R404-N406 PolarHBondContact O-N 2.88Å
405	T	83.1	Confident	87.3	Confident	52 Å²	52	80.8 Å²	80.8	32%	0.319	40%	0.403	S	S	.	.			trans	-79.4	112.9	-175.2	-62.3	0	0	0	0	111	R401 L402 Q403 V407 I410	R401-T405 PolarHBondContact O-N 3.02Å; R401-T405 PolarHBondContact O-OG1 3.49Å; L402-T405 PolarHBondContact O-N 3.12Å; Q403-T405 VanDerWaalsContact C-N 3.31Å; T405-V407 PolarHBondContact O-N 3.08Å; T405-I410 HydrophobicContact CG2-CD1 3.28Å; T405-I410 HydrophobicContact CG2-CG1 4.49Å
406	N	82.6	Confident	87.5	Confident	34 Å²	34	84.3 Å²	84.3	18%	0.182	41%	0.405	C	S	.	.			trans	-88.6	105.1	174	-172.2	-13.9	0	0	0	111	R404 L408 N409 I410 I574	R404-N406 PolarHBondContact O-N 2.88Å; N406-L408 PolarHBondContact O-N 3.43Å; N406-L408 PolarHBondContact OD1-N 3.48Å; N406-N409 HydrophobicContact CB-CB 4.09Å; N406-N409 PolarHBondContact O-N 3.39Å; N406-I410 PolarHBondContact O-N 3.22Å; N406-I574 VanDerWaalsContact ND2-CG2 3.31Å; N406-I574 WeakPolarHBondContact ND2-CG2 3.4Å; N406-I574 PolarHBondContact ND2-O 3.46Å
407	V	88.6	Confident	87.5	Confident	104 Å²	104	79.1 Å²	79.1	63%	0.63	39%	0.39	S	S	*	.	H	α-helix	trans	-54.2	-36.9	179.3	-178.6	0	0	0	0	112.7	T405 I410 A411	T405-V407 PolarHBondContact O-N 3.08Å; V407-I410 PolarHBondContact O-N 3.18Å; V407-A411 VanDerWaalsContact O-CB 3.31Å; V407-A411 WeakPolarHBondContact O-CB 3.41Å; V407-A411 PolarHBondContact O-N 2.96Å
408	L	89.9	Confident	87.6	Confident	24 Å²	24	77.3 Å²	77.3	13%	0.126	39%	0.385	C	S	.	.	H	α-helix	trans	-69.2	-36.1	179.8	-68.5	176	0	0	0	112.1	N406 I410 F412 L451 C454 I574 L577	N406-L408 PolarHBondContact O-N 3.43Å; N406-L408 PolarHBondContact OD1-N 3.48Å; L408-I410 VanDerWaalsContact C-N 3.3Å; L408-F412 HydrophobicContact CD2-CD2 4.43Å; L408-F412 HydrophobicContact CD2-CE2 4.36Å; L408-F412 PolarHBondContact O-N 2.91Å; L408-L451 HydrophobicContact CD2-CD1 4.5Å; L408-C454 HydrophobicContact CD2-CB 3.92Å; L408-I574 HydrophobicContact CB-CD1 4.48Å; L408-I574 HydrophobicContact CB-CG1 4.18Å; L408-I574 HydrophobicContact CB-CG2 3.87Å; L408-I574 HydrophobicContact CD1-CG1 4.49Å; L408-L577 HydrophobicContact CD1-CD1 4.03Å
409	N	88.6	Confident	87.8	Confident	75 Å²	75	82.7 Å²	82.7	40%	0.401	41%	0.41	S	S	.	.	H	α-helix	trans	-70.8	-29.5	177.2	-170.6	58.9	0	0	0	112	N406 P413 I574	N406-N409 HydrophobicContact CB-CB 4.09Å; N406-N409 PolarHBondContact O-N 3.39Å; N409-P413 WeakPolarHBondContact O-CA 3.42Å; N409-I574 HydrophobicContact CB-CG2 4.1Å
410	I	89.8	Confident	88.2	Confident	114 Å²	114	78.2 Å²	78.2	59%	0.585	39%	0.387	S	S	*	.	H	α-helix	trans	-77.8	-45	175.4	-66.9	179.5	0	0	0	111.3	T405 N406 V407 L408 F412 P413	T405-I410 HydrophobicContact CG2-CD1 3.28Å; T405-I410 HydrophobicContact CG2-CG1 4.49Å; N406-I410 PolarHBondContact O-N 3.22Å; V407-I410 PolarHBondContact O-N 3.18Å; L408-I410 VanDerWaalsContact C-N 3.3Å; I410-F412 VanDerWaalsContact C-N 3.32Å; I410-P413 WeakPolarHBondContact O-CD 3.45Å; I410-P413 WeakPolarHBondContact O-CG 3.48Å
411	A	91.9	Very high	88.8	Confident	47 Å²	47	73.2 Å²	73.2	39%	0.388	36%	0.364	S	S	.	.	H	α-helix	trans	-72.7	-25.9	-178.6	0	0	0	0	0	113.2	V407 N424	V407-A411 VanDerWaalsContact O-CB 3.31Å; V407-A411 WeakPolarHBondContact O-CB 3.41Å; V407-A411 PolarHBondContact O-N 2.96Å; A411-N424 PolarHBondContact O-ND2 3.09Å; A411-N424 PolarHBondContact O-OD1 2.81Å; A411-N424 VanDerWaalsContact O-OD1 3.11Å
412	F	94.8	Very high	89.4	Confident	12 Å²	12	68.1 Å²	68.1	5%	0.053	35%	0.346	C	S	.	.	S	Bend	trans	-136	71.5	179.1	-51.6	-81.3	0	0	0	110.3	L408 I410 I414 I423 L450 L451	L408-F412 HydrophobicContact CD2-CD2 4.43Å; L408-F412 HydrophobicContact CD2-CE2 4.36Å; L408-F412 PolarHBondContact O-N 2.91Å; I410-F412 VanDerWaalsContact C-N 3.32Å; F412-I414 PolarHBondContact O-N 2.87Å; F412-I423 HydrophobicContact CB-CD1 4.37Å; F412-I423 HydrophobicContact CD1-CD1 4.45Å; F412-L450 HydrophobicContact CE1-CB 4.2Å; F412-L450 HydrophobicContact CE1-CD2 3.97Å; F412-L450 HydrophobicContact CE1-CG 4.07Å; F412-L450 HydrophobicContact CZ-CB 4.35Å; F412-L450 HydrophobicContact CZ-CD2 3.9Å; F412-L450 HydrophobicContact CZ-CG 3.82Å; F412-L451 HydrophobicContact CB-CD1 4.14Å; F412-L451 HydrophobicContact CB-CD2 4.21Å; F412-L451 HydrophobicContact CD1-CB 3.98Å; F412-L451 HydrophobicContact CD2-CB 4.25Å; F412-L451 HydrophobicContact CD2-CD1 3.62Å; F412-L451 HydrophobicContact CD2-CG 4.45Å; F412-L451 HydrophobicContact CE1-CB 4.22Å; F412-L451 HydrophobicContact CE2-CB 4.48Å; F412-L451 HydrophobicContact CE2-CD1 4.23Å; F412-L451 HydrophobicContact CG-CB 4Å; F412-L451 HydrophobicContact CG-CD1 3.91Å; F412-L451 HydrophobicContact CG-CD2 4.5Å; F412-L451 HydrophobicContact CG-CG 4.34Å; F412-L451 HydrophobicContact CZ-CB 4.48Å
413	P	93.4	Very high	90.1	Very high	55 Å²	55	64.7 Å²	64.7	36%	0.357	33%	0.328	S	S	.	.			trans	-62.5	120.1	173.6	-19.2	35.3	0	0	0	109.2	N409 I410 I423 N424	N409-P413 WeakPolarHBondContact O-CA 3.42Å; I410-P413 WeakPolarHBondContact O-CD 3.45Å; I410-P413 WeakPolarHBondContact O-CG 3.48Å; P413-I423 WeakPolarHBondContact O-CA 3.47Å; P413-N424 WeakPolarHBondContact CD-OD1 3.26Å; P413-N424 PolarHBondContact O-N 3.21Å; P413-N424 VanDerWaalsContact O-N 3.09Å
414	I	93.5	Very high	90.7	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119	177.4	-61.6	171.5	0	0	0	109.2	F412 V422 I423 L451 L567 M570 K571 I574	F412-I414 PolarHBondContact O-N 2.87Å; I414-V422 WeakPolarHBondContact CA-O 3.46Å; I414-I423 HydrophobicContact CG1-CD1 4.47Å; I414-I423 HydrophobicContact CG1-CG1 4.34Å; I414-L451 HydrophobicContact CD1-CD2 3.87Å; I414-L567 HydrophobicContact CD1-CD2 4.49Å; I414-L567 HydrophobicContact CG2-CB 4Å; I414-M570 HydrophobicContact CD1-CB 4.02Å; I414-K571 HydrophobicContact CB-CB 4.31Å; I414-K571 HydrophobicContact CB-CD 4.26Å; I414-K571 HydrophobicContact CB-CG 4.48Å; I414-K571 HydrophobicContact CD1-CB 4.11Å; I414-K571 HydrophobicContact CG2-CB 4.26Å; I414-K571 HydrophobicContact CG2-CD 4.3Å; I414-K571 PolarHBondContact O-NZ 2.79Å; I414-I574 HydrophobicContact CD1-CD1 4.02Å
415	W	94	Very high	91.5	Very high	157 Å²	157	56.9 Å²	56.9	60%	0.595	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.5	-169.7	177.9	-117.6	116.2	0	0	0	110.7	V422	W415-V422 PolarHBondContact N-O 3.5Å; W415-V422 PolarHBondContact O-N 2.87Å
416	Y	92.6	Very high	92.1	Very high	130 Å²	130	56.5 Å²	56.5	51%	0.51	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.3	173	62.7	-97.2	0	0	0	108.7	I420	Y416-I420 CarbonylContact C-O 3.54Å; Y416-I420 VanDerWaalsContact CA-O 3.23Å; Y416-I420 WeakPolarHBondContact CA-O 3.3Å; Y416-I420 WeakPolarHBondContact CB-O 3.48Å
417	D	89.8	Confident	92.8	Very high	62 Å²	62	56.2 Å²	56.2	33%	0.332	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	102.4	170.1	-170.7	-18	0	0	0	107.8	H419 I420 V422 H427 R434	D417-H419 PolarHBondContact O-N 3.06Å; D417-H419 VanDerWaalsContact O-N 3.07Å; D417-I420 PolarHBondContact N-O 3.48Å; D417-I420 PolarHBondContact O-N 3.02Å; D417-V422 HydrophobicContact CB-CG2 3.85Å; D417-H427 IonicContact OD2-NE2 3.84Å; D417-H427 PolarHBondContact OD2-NE2 2.76Å; D417-R434 IonicContact OD1-CZ 3.81Å; D417-R434 IonicContact OD1-NH1 2.79Å; D417-R434 PolarHBondContact OD1-NH1 2.9Å; D417-R434 IonicContact OD1-NH2 2.9Å; D417-R434 IonicContact OD2-CZ 2.73Å; D417-R434 VanDerWaalsContact OD2-CZ 3.24Å; D417-R434 IonicContact OD2-NH1 3.47Å; D417-R434 PolarHBondContact OD2-NH1 3.26Å; D417-R434 VanDerWaalsContact OD2-NH1 3.08Å; D417-R434 IonicContact OD2-NH2 3.82Å; D417-R434 PolarHBondContact OD2-NH2 2.95Å
418	G	89	Confident	93.1	Very high	44 Å²	44	51.2 Å²	51.2	45%	0.454	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	-112.4	-166.4	0	0	0	0	0	112.2	K564	G418-K564 PolarHBondContact O-NZ 2.85Å
419	H	91.8	Very high	93.4	Very high	145 Å²	145	50.1 Å²	50.1	67%	0.671	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-3.8	-178.4	-61	97.1	0	0	0	114	D417 L431 K564	D417-H419 PolarHBondContact O-N 3.06Å; D417-H419 VanDerWaalsContact O-N 3.07Å; H419-L431 HydrophobicContact CB-CD1 3.94Å; H419-K564 WeakPolarHBondContact O-CD 3.48Å
420	I	94.1	Very high	93.6	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	139.8	-178.5	-52.8	177.9	0	0	0	109.6	Y416 D417 H427 L431 V436 T560	Y416-I420 CarbonylContact C-O 3.54Å; Y416-I420 VanDerWaalsContact CA-O 3.23Å; Y416-I420 WeakPolarHBondContact CA-O 3.3Å; Y416-I420 WeakPolarHBondContact CB-O 3.48Å; D417-I420 PolarHBondContact N-O 3.48Å; D417-I420 PolarHBondContact O-N 3.02Å; I420-H427 HydrophobicContact CG2-CB 4.01Å; I420-L431 HydrophobicContact CD1-CD1 4.18Å; I420-L431 HydrophobicContact CD1-CG 4.34Å; I420-L431 HydrophobicContact CG1-CD1 3.88Å; I420-L431 HydrophobicContact CG1-CG 4.24Å; I420-V436 HydrophobicContact CD1-CG2 4Å; I420-T560 HydrophobicContact CB-CG2 4.32Å; I420-T560 HydrophobicContact CG1-CG2 3.88Å; I420-T560 HydrophobicContact CG2-CG2 4.43Å
421	G	94.6	Very high	93.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	144.9	171.8	0	0	0	0	0	111.5	L428	G421-L428 PolarHBondContact O-N 3.3Å
422	V	96	Very high	93.7	Very high	15 Å²	15	45.8 Å²	45.8	9%	0.091	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.4	-176.5	178.7	0	0	0	0	110.2	I414 W415 D417 G425 L426	I414-V422 WeakPolarHBondContact CA-O 3.46Å; W415-V422 PolarHBondContact N-O 3.5Å; W415-V422 PolarHBondContact O-N 2.87Å; D417-V422 HydrophobicContact CB-CG2 3.85Å; V422-G425 VanDerWaalsContact CG1-C 3.48Å; V422-L426 VanDerWaalsContact CA-O 3.32Å; V422-L426 WeakPolarHBondContact CA-O 3.32Å
423	I	95.8	Very high	93.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.6	174.3	-174.7	169.7	0	0	0	109.6	F412 P413 I414 G425 L426 A444 Q447 L451 L567	F412-I423 HydrophobicContact CB-CD1 4.37Å; F412-I423 HydrophobicContact CD1-CD1 4.45Å; P413-I423 WeakPolarHBondContact O-CA 3.47Å; I414-I423 HydrophobicContact CG1-CD1 4.47Å; I414-I423 HydrophobicContact CG1-CG1 4.34Å; I423-G425 PolarHBondContact O-N 3.08Å; I423-L426 PolarHBondContact N-O 2.93Å; I423-L426 WeakPolarHBondContact O-CB 3.49Å; I423-L426 PolarHBondContact O-N 3.26Å; I423-A444 HydrophobicContact CG2-CB 3.97Å; I423-Q447 HydrophobicContact CD1-CB 3.88Å; I423-Q447 HydrophobicContact CG1-CB 4.07Å; I423-Q447 HydrophobicContact CG2-CB 4.06Å; I423-L451 HydrophobicContact CD1-CD2 4.08Å; I423-L567 HydrophobicContact CB-CD2 4.28Å; I423-L567 HydrophobicContact CD1-CD2 4.32Å
424	N	93.9	Very high	93.3	Very high	60 Å²	60	55.2 Å²	55.2	32%	0.321	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	36	-176.1	-80.4	-32.2	0	0	0	113.1	A411 P413 L426 Q447	A411-N424 PolarHBondContact O-ND2 3.09Å; A411-N424 PolarHBondContact O-OD1 2.81Å; A411-N424 VanDerWaalsContact O-OD1 3.11Å; P413-N424 WeakPolarHBondContact CD-OD1 3.26Å; P413-N424 PolarHBondContact O-N 3.21Å; P413-N424 VanDerWaalsContact O-N 3.09Å; N424-L426 PolarHBondContact O-N 2.98Å; N424-Q447 HydrophobicContact CB-CG 4.35Å; N424-Q447 PolarHBondContact ND2-OE1 3.2Å
425	G	94	Very high	93.1	Very high	56 Å²	56	59.5 Å²	59.5	58%	0.577	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	0.2	-177.1	0	0	0	0	0	115.5	V422 I423	V422-G425 VanDerWaalsContact CG1-C 3.48Å; I423-G425 PolarHBondContact O-N 3.08Å
426	L	95.8	Very high	93	Very high	43 Å²	43	52.5 Å²	52.5	23%	0.225	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131	-179.7	-56.7	165.4	0	0	0	111.3	V422 I423 N424 E440 A443 A444 Q447	V422-L426 VanDerWaalsContact CA-O 3.32Å; V422-L426 WeakPolarHBondContact CA-O 3.32Å; I423-L426 PolarHBondContact N-O 2.93Å; I423-L426 WeakPolarHBondContact O-CB 3.49Å; I423-L426 PolarHBondContact O-N 3.26Å; N424-L426 PolarHBondContact O-N 2.98Å; L426-E440 HydrophobicContact CB-CG 4.21Å; L426-E440 HydrophobicContact CD2-CG 3.84Å; L426-A443 HydrophobicContact CD1-CB 3.82Å; L426-A443 HydrophobicContact CD2-CB 4.45Å; L426-A444 HydrophobicContact CB-CB 3.82Å; L426-Q447 HydrophobicContact CD1-CG 3.93Å
427	H	96.6	Very high	93	Very high	28 Å²	28	48.5 Å²	48.5	13%	0.13	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.9	179.4	-62.6	88.2	0	0	0	112	D417 I420 R434 V436 E440	D417-H427 IonicContact OD2-NE2 3.84Å; D417-H427 PolarHBondContact OD2-NE2 2.76Å; I420-H427 HydrophobicContact CG2-CB 4.01Å; H427-R434 PolarHBondContact NE2-NH2 2.86Å; H427-R434 VanDerWaalsContact NE2-NH2 3.15Å; H427-V436 HydrophobicContact CB-CG1 3.81Å; H427-V436 HydrophobicContact CB-CG2 3.89Å; H427-E440 WeakPolarHBondContact CB-OE1 3.14Å; H427-E440 IonicContact CE1-OE1 2.86Å; H427-E440 IonicContact CG-OE1 3.76Å; H427-E440 PolarHBondContact N-OE1 2.99Å; H427-E440 IonicContact ND1-OE1 3.93Å; H427-E440 PolarHBondContact ND1-OE1 3.42Å; H427-E440 IonicContact ND1-OE2 2.89Å
428	L	96	Very high	93.1	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	81.9	175.5	-170.6	71.6	0	0	0	110.2	G421 A444 W445 L563 M566 L567	G421-L428 PolarHBondContact O-N 3.3Å; L428-A444 HydrophobicContact CB-CB 4.09Å; L428-A444 HydrophobicContact CD1-CB 3.77Å; L428-W445 HydrophobicContact CD1-CD2 4.07Å; L428-W445 HydrophobicContact CD1-CG 3.92Å; L428-L563 HydrophobicContact CD2-CB 4.12Å; L428-L563 HydrophobicContact CD2-CD2 4.4Å; L428-L563 HydrophobicContact CG-CB 4.15Å; L428-L563 HydrophobicContact CG-CD1 4.16Å; L428-M566 HydrophobicContact CD2-CE 3.64Å; L428-L567 HydrophobicContact CB-CD1 3.85Å; L428-L567 HydrophobicContact CD2-CD1 3.6Å; L428-L567 HydrophobicContact CD2-CD2 4.11Å; L428-L567 HydrophobicContact CD2-CG 3.68Å; L428-L567 HydrophobicContact CG-CD1 4.36Å
429	G	94.5	Very high	93.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.28	C	S	.	.			trans	146.8	176.3	-179.6	0	0	0	0	0	111.3	V436	G429-V436 VanDerWaalsContact O-CB 3.27Å; G429-V436 WeakPolarHBondContact O-CB 3.37Å; G429-V436 VanDerWaalsContact O-CG2 3.31Å; G429-V436 WeakPolarHBondContact O-CG2 3.49Å
430	R	94	Very high	93.5	Very high	43 Å²	43	43.2 Å²	43.2	16%	0.162	26%	0.261	C	S	.	.			trans	-151	146.3	177.1	62.1	-172.9	-72.4	136.4	10	110	V436 W438 I441 W551 E556 W559 T560	R430-V436 HydrophobicContact CB-CB 4.38Å; R430-W438 VanDerWaalsContact NH1-NE1 3.17Å; R430-I441 HydrophobicContact CB-CD1 4.25Å; R430-W551 HydrophobicContact CG-CH2 4.44Å; R430-W551 HydrophobicContact CG-CZ3 4.3Å; R430-E556 HydrophobicContact CG-CB 4.48Å; R430-E556 HydrophobicContact CG-CG 4.37Å; R430-E556 IonicContact CZ-OE1 3.56Å; R430-E556 IonicContact NE-OE1 3.52Å; R430-E556 PolarHBondContact NE-OE1 3.15Å; R430-E556 IonicContact NE-OE2 3.08Å; R430-E556 IonicContact NH2-OE1 2.83Å; R430-W559 HydrophobicContact CG-CE3 4.29Å; R430-W559 HydrophobicContact CG-CZ3 3.95Å; R430-T560 PolarHBondContact N-OG1 3.12Å; R430-T560 PolarHBondContact O-OG1 3.37Å
431	L	93.6	Very high	93.5	Very high	28 Å²	28	43.1 Å²	43.1	15%	0.147	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-126.2	152.7	174.7	-66.3	167.3	0	0	0	109.4	H419 I420 N433 R434 E557 T560	H419-L431 HydrophobicContact CB-CD1 3.94Å; I420-L431 HydrophobicContact CD1-CD1 4.18Å; I420-L431 HydrophobicContact CD1-CG 4.34Å; I420-L431 HydrophobicContact CG1-CD1 3.88Å; I420-L431 HydrophobicContact CG1-CG 4.24Å; L431-N433 PolarHBondContact O-N 2.87Å; L431-R434 HydrophobicContact CB-CB 4.39Å; L431-R434 PolarHBondContact N-O 2.9Å; L431-R434 CarbonylContact O-C 3.55Å; L431-R434 PolarHBondContact O-N 2.87Å; L431-E557 HydrophobicContact CD2-CB 4.22Å; L431-E557 HydrophobicContact CD2-CG 4.01Å; L431-T560 HydrophobicContact CD2-CG2 4.29Å; L431-T560 HydrophobicContact CG-CG2 4.41Å
432	P	89.7	Confident	93.6	Very high	75 Å²	75	43.8 Å²	43.8	49%	0.487	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-39.6	177.2	-26.3	35	0	0	0	112.8	R434 E556	P432-R434 VanDerWaalsContact C-N 3.33Å; P432-E556 HydrophobicContact CG-CB 4.49Å
433	N	90.5	Very high	93.5	Very high	168 Å²	168	44 Å²	44	90%	0.898	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-13.9	178.2	-64.3	-12.7	0	0	0	113.5	L431	L431-N433 PolarHBondContact O-N 2.87Å
434	R	89.9	Confident	93.6	Very high	97 Å²	97	44 Å²	44	37%	0.366	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-143.1	80.9	-177.4	-170.5	176.3	176.8	171.4	-1.4	109.9	D417 H427 L431 P432 V436	D417-R434 IonicContact OD1-CZ 3.81Å; D417-R434 IonicContact OD1-NH1 2.79Å; D417-R434 PolarHBondContact OD1-NH1 2.9Å; D417-R434 IonicContact OD1-NH2 2.9Å; D417-R434 IonicContact OD2-CZ 2.73Å; D417-R434 VanDerWaalsContact OD2-CZ 3.24Å; D417-R434 IonicContact OD2-NH1 3.47Å; D417-R434 PolarHBondContact OD2-NH1 3.26Å; D417-R434 VanDerWaalsContact OD2-NH1 3.08Å; D417-R434 IonicContact OD2-NH2 3.82Å; D417-R434 PolarHBondContact OD2-NH2 2.95Å; H427-R434 PolarHBondContact NE2-NH2 2.86Å; H427-R434 VanDerWaalsContact NE2-NH2 3.15Å; L431-R434 HydrophobicContact CB-CB 4.39Å; L431-R434 PolarHBondContact N-O 2.9Å; L431-R434 CarbonylContact O-C 3.55Å; L431-R434 PolarHBondContact O-N 2.87Å; P432-R434 VanDerWaalsContact C-N 3.33Å; R434-V436 PolarHBondContact O-N 2.9Å
435	P	89	Confident	93.7	Very high	97 Å²	97	41.1 Å²	41.1	63%	0.63	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-72.9	125.9	-176.6	28.7	-33.6	0	0	0	110.6
436	V	92.4	Very high	93.8	Very high	10 Å²	10	38.6 Å²	38.6	6%	0.061	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-103.8	137	173.4	179.9	0	0	0	0	108.8	I420 H427 G429 R430 R434 E440 I441	I420-V436 HydrophobicContact CD1-CG2 4Å; H427-V436 HydrophobicContact CB-CG1 3.81Å; H427-V436 HydrophobicContact CB-CG2 3.89Å; G429-V436 VanDerWaalsContact O-CB 3.27Å; G429-V436 WeakPolarHBondContact O-CB 3.37Å; G429-V436 VanDerWaalsContact O-CG2 3.31Å; G429-V436 WeakPolarHBondContact O-CG2 3.49Å; R430-V436 HydrophobicContact CB-CB 4.38Å; R434-V436 PolarHBondContact O-N 2.9Å; V436-E440 HydrophobicContact CG1-CB 4.15Å; V436-E440 HydrophobicContact CG1-CG 4.34Å; V436-E440 WeakPolarHBondContact CG1-OE2 3.23Å; V436-I441 HydrophobicContact CB-CD1 4.26Å; V436-I441 HydrophobicContact CB-CG1 4.31Å; V436-I441 HydrophobicContact CG1-CD1 4.22Å; V436-I441 HydrophobicContact CG1-CG1 3.75Å
437	G	91.7	Very high	93.9	Very high	45 Å²	45	39.1 Å²	39.1	46%	0.464	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-66.2	139	178.5	0	0	0	0	0	112	G439 E440 I441	G437-G439 PolarHBondContact O-N 2.96Å; G437-E440 WeakPolarHBondContact O-CB 3.36Å; G437-E440 PolarHBondContact O-N 2.97Å; G437-E440 VanDerWaalsContact O-N 3.08Å; G437-I441 PolarHBondContact O-N 3.27Å; G437-I441 VanDerWaalsContact O-N 3.17Å
438	W	92.4	Very high	93.9	Very high	30 Å²	30	37.8 Å²	37.8	11%	0.114	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-30	177.2	-77.2	109.3	0	0	0	113.3	R430 E440 I441 N442 Y490 T492 F503 W551 W559	R430-W438 VanDerWaalsContact NH1-NE1 3.17Å; W438-E440 VanDerWaalsContact C-N 3.31Å; W438-E440 PolarHBondContact O-N 3.09Å; W438-I441 HydrophobicContact CD2-CD1 4.42Å; W438-I441 HydrophobicContact CE3-CB 4.27Å; W438-I441 HydrophobicContact CE3-CD1 4.04Å; W438-I441 HydrophobicContact CE3-CG2 4.07Å; W438-I441 HydrophobicContact CZ3-CD1 4.33Å; W438-I441 HydrophobicContact CZ3-CG2 4.12Å; W438-I441 PolarHBondContact O-N 3.04Å; W438-N442 VanDerWaalsContact O-CB 3.24Å; W438-N442 WeakPolarHBondContact O-CB 3.45Å; W438-N442 PolarHBondContact O-N 3.48Å; W438-N442 PolarHBondContact O-ND2 2.94Å; W438-N442 VanDerWaalsContact O-ND2 3.16Å; W438-N442 PolarHBondContact O-OD1 3.1Å; W438-Y490 AromaticContact CD2-CD1 3.63Å; W438-Y490 HydrophobicContact CD2-CD1 3.63Å; W438-Y490 HydrophobicContact CD2-CE1 4.5Å; W438-Y490 HydrophobicContact CD2-CG 4.2Å; W438-Y490 AromaticContact CE2-CD1 3.54Å; W438-Y490 AromaticContact CE2-CE1 3.99Å; W438-Y490 AromaticContact CE3-CD1 3.96Å; W438-Y490 HydrophobicContact CE3-CD1 3.96Å; W438-Y490 HydrophobicContact CE3-CG 4.05Å; W438-Y490 HydrophobicContact CG-CD1 4.1Å; W438-Y490 HydrophobicContact CH2-CD1 4.13Å; W438-Y490 HydrophobicContact CH2-CG 4.12Å; W438-Y490 AromaticContact CZ2-CD1 3.82Å; W438-Y490 HydrophobicContact CZ2-CD1 3.82Å; W438-Y490 HydrophobicContact CZ2-CE1 4.13Å; W438-Y490 HydrophobicContact CZ2-CG 4.28Å; W438-Y490 HydrophobicContact CZ3-CD1 4.19Å; W438-Y490 AromaticContact CZ3-CG 4Å; W438-Y490 HydrophobicContact CZ3-CG 4Å; W438-Y490 AromaticContact NE1-CD1 3.95Å; W438-T492 VanDerWaalsContact CD1-OG1 3.31Å; W438-F503 HydrophobicContact CZ3-CE1 4.42Å; W438-W551 HydrophobicContact CH2-CD2 4.05Å; W438-W551 HydrophobicContact CH2-CE3 4.19Å; W438-W551 HydrophobicContact CH2-CH2 4.4Å; W438-W551 HydrophobicContact CH2-CZ2 4.28Å; W438-W551 HydrophobicContact CH2-CZ3 4.36Å; W438-W551 HydrophobicContact CZ2-CD2 4.44Å; W438-W551 HydrophobicContact CZ2-CH2 4.12Å; W438-W551 AromaticContact CZ2-CZ2 3.85Å; W438-W551 HydrophobicContact CZ2-CZ2 3.85Å; W438-W559 HydrophobicContact CH2-CH2 4.1Å; W438-W559 AromaticContact CZ3-CH2 3.97Å; W438-W559 HydrophobicContact CZ3-CH2 3.97Å; W438-W559 HydrophobicContact CZ3-CZ2 4.46Å
439	G	92.8	Very high	93.9	Very high	51 Å²	51	37.8 Å²	37.8	53%	0.526	22%	0.221	S	C	.	.	H	α-helix	trans	-59.5	-41.4	174.7	0	0	0	0	0	112.9	G437 A443	G437-G439 PolarHBondContact O-N 2.96Å; G439-A443 WeakPolarHBondContact O-CB 3.15Å; G439-A443 PolarHBondContact O-N 3.29Å
440	E	95.4	Very high	94	Very high	59 Å²	59	41 Å²	41	28%	0.276	24%	0.238	S	C	.	.	H	α-helix	trans	-70.6	-46.1	176.9	-171.5	-176.6	170.8	0	0	111.4	L426 H427 V436 G437 W438 N442 A443 A444	L426-E440 HydrophobicContact CB-CG 4.21Å; L426-E440 HydrophobicContact CD2-CG 3.84Å; H427-E440 WeakPolarHBondContact CB-OE1 3.14Å; H427-E440 IonicContact CE1-OE1 2.86Å; H427-E440 IonicContact CG-OE1 3.76Å; H427-E440 PolarHBondContact N-OE1 2.99Å; H427-E440 IonicContact ND1-OE1 3.93Å; H427-E440 PolarHBondContact ND1-OE1 3.42Å; H427-E440 IonicContact ND1-OE2 2.89Å; V436-E440 HydrophobicContact CG1-CB 4.15Å; V436-E440 HydrophobicContact CG1-CG 4.34Å; V436-E440 WeakPolarHBondContact CG1-OE2 3.23Å; G437-E440 WeakPolarHBondContact O-CB 3.36Å; G437-E440 PolarHBondContact O-N 2.97Å; G437-E440 VanDerWaalsContact O-N 3.08Å; W438-E440 VanDerWaalsContact C-N 3.31Å; W438-E440 PolarHBondContact O-N 3.09Å; E440-N442 VanDerWaalsContact C-N 3.27Å; E440-N442 PolarHBondContact O-N 2.78Å; E440-A443 WeakPolarHBondContact O-CB 3.46Å; E440-A443 PolarHBondContact O-N 2.92Å; E440-A443 VanDerWaalsContact O-N 3.1Å; E440-A444 WeakPolarHBondContact O-CB 3.41Å; E440-A444 PolarHBondContact O-N 2.88Å
441	I	95.7	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-42.7	176.2	-65.4	172.3	0	0	0	110.8	R430 V436 G437 W438 A444 W445 W559	R430-I441 HydrophobicContact CB-CD1 4.25Å; V436-I441 HydrophobicContact CB-CD1 4.26Å; V436-I441 HydrophobicContact CB-CG1 4.31Å; V436-I441 HydrophobicContact CG1-CD1 4.22Å; V436-I441 HydrophobicContact CG1-CG1 3.75Å; G437-I441 PolarHBondContact O-N 3.27Å; G437-I441 VanDerWaalsContact O-N 3.17Å; W438-I441 HydrophobicContact CD2-CD1 4.42Å; W438-I441 HydrophobicContact CE3-CB 4.27Å; W438-I441 HydrophobicContact CE3-CD1 4.04Å; W438-I441 HydrophobicContact CE3-CG2 4.07Å; W438-I441 HydrophobicContact CZ3-CD1 4.33Å; W438-I441 HydrophobicContact CZ3-CG2 4.12Å; W438-I441 PolarHBondContact O-N 3.04Å; I441-A444 WeakPolarHBondContact O-CB 3.12Å; I441-A444 PolarHBondContact O-N 2.98Å; I441-W445 PolarHBondContact O-N 3.22Å; I441-W559 HydrophobicContact CD1-CH2 4.47Å; I441-W559 HydrophobicContact CD1-CZ3 4.5Å; I441-W559 HydrophobicContact CG2-CH2 4.03Å
442	N	95	Very high	94.3	Very high	15 Å²	15	37.6 Å²	37.6	8%	0.08	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-40.1	177.7	-68.6	-17.9	0	0	0	111.5	W438 E440 W445 G446 Y489 Y490	W438-N442 VanDerWaalsContact O-CB 3.24Å; W438-N442 WeakPolarHBondContact O-CB 3.45Å; W438-N442 PolarHBondContact O-N 3.48Å; W438-N442 PolarHBondContact O-ND2 2.94Å; W438-N442 VanDerWaalsContact O-ND2 3.16Å; W438-N442 PolarHBondContact O-OD1 3.1Å; E440-N442 VanDerWaalsContact C-N 3.27Å; E440-N442 PolarHBondContact O-N 2.78Å; N442-W445 PolarHBondContact O-N 2.9Å; N442-G446 PolarHBondContact O-N 2.97Å; N442-Y489 WeakPolarHBondContact OD1-CA 3.38Å; N442-Y490 PolarHBondContact ND2-O 3.43Å; N442-Y490 PolarHBondContact OD1-N 2.63Å
443	A	95.4	Very high	94.5	Very high	19 Å²	19	36.8 Å²	36.8	16%	0.157	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-42	173.6	0	0	0	0	0	111.5	L426 G439 E440 W445 G446 Q447 S473	L426-A443 HydrophobicContact CD1-CB 3.82Å; L426-A443 HydrophobicContact CD2-CB 4.45Å; G439-A443 WeakPolarHBondContact O-CB 3.15Å; G439-A443 PolarHBondContact O-N 3.29Å; E440-A443 WeakPolarHBondContact O-CB 3.46Å; E440-A443 PolarHBondContact O-N 2.92Å; E440-A443 VanDerWaalsContact O-N 3.1Å; A443-W445 PolarHBondContact O-N 3.14Å; A443-G446 WeakPolarHBondContact O-CA 3.41Å; A443-G446 PolarHBondContact O-N 3.38Å; A443-G446 VanDerWaalsContact O-N 3.07Å; A443-Q447 PolarHBondContact O-N 3.48Å; A443-S473 WeakPolarHBondContact CB-OG 3.35Å
444	A	96.4	Very high	94.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-42.4	175.6	0	0	0	0	0	111.6	I423 L426 L428 E440 I441 G446 Q447 C448	I423-A444 HydrophobicContact CG2-CB 3.97Å; L426-A444 HydrophobicContact CB-CB 3.82Å; L428-A444 HydrophobicContact CB-CB 4.09Å; L428-A444 HydrophobicContact CD1-CB 3.77Å; E440-A444 WeakPolarHBondContact O-CB 3.41Å; E440-A444 PolarHBondContact O-N 2.88Å; I441-A444 WeakPolarHBondContact O-CB 3.12Å; I441-A444 PolarHBondContact O-N 2.98Å; A444-G446 VanDerWaalsContact C-N 3.28Å; A444-G446 PolarHBondContact O-N 3.01Å; A444-Q447 WeakPolarHBondContact O-CB 3.44Å; A444-Q447 PolarHBondContact O-N 3.22Å; A444-C448 PolarHBondContact O-N 3.01Å; A444-C448 PolarHBondContact O-SG 3.22Å
445	W	96.8	Very high	94.9	Very high	0 Å²	0	26 Å²	26	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-36.1	171.6	-89.8	115.1	0	0	0	112.9	L428 I441 N442 A443 C448 A449 L488 F503 M507 F510 I549 L563 M566	L428-W445 HydrophobicContact CD1-CD2 4.07Å; L428-W445 HydrophobicContact CD1-CG 3.92Å; I441-W445 PolarHBondContact O-N 3.22Å; N442-W445 PolarHBondContact O-N 2.9Å; A443-W445 PolarHBondContact O-N 3.14Å; W445-C448 HydrophobicContact CE3-CB 4.14Å; W445-C448 WeakPolarHBondContact O-CB 3.31Å; W445-C448 PolarHBondContact O-N 3.45Å; W445-A449 WeakPolarHBondContact O-CB 3.47Å; W445-A449 PolarHBondContact O-N 3.41Å; W445-L488 HydrophobicContact CB-CD2 4.49Å; W445-L488 HydrophobicContact CB-CG 4.28Å; W445-L488 HydrophobicContact CD2-CD1 4.22Å; W445-L488 HydrophobicContact CD2-CD2 4.36Å; W445-L488 HydrophobicContact CD2-CG 4.06Å; W445-L488 HydrophobicContact CE3-CD1 3.88Å; W445-L488 HydrophobicContact CE3-CD2 3.66Å; W445-L488 HydrophobicContact CE3-CG 3.79Å; W445-L488 HydrophobicContact CG-CG 4.31Å; W445-L488 HydrophobicContact CH2-CD1 4.46Å; W445-L488 HydrophobicContact CZ3-CD1 4.01Å; W445-L488 HydrophobicContact CZ3-CD2 4.24Å; W445-L488 HydrophobicContact CZ3-CG 4.4Å; W445-F503 AromaticContact NE1-CZ 3.72Å; W445-M507 HydrophobicContact CH2-CB 4.38Å; W445-M507 HydrophobicContact CH2-CG 3.91Å; W445-M507 HydrophobicContact CH2-SD 4.36Å; W445-M507 HydrophobicContact CZ2-CB 4.46Å; W445-M507 HydrophobicContact CZ2-CG 3.6Å; W445-M507 HydrophobicContact CZ2-SD 3.55Å; W445-M507 VanDerWaalsContact CZ2-SD 3.55Å; W445-F510 HydrophobicContact CH2-CD1 4.2Å; W445-F510 AromaticContact CZ3-CD1 3.62Å; W445-F510 HydrophobicContact CZ3-CD1 3.62Å; W445-F510 HydrophobicContact CZ3-CD2 4.4Å; W445-F510 AromaticContact CZ3-CE1 3.8Å; W445-F510 HydrophobicContact CZ3-CE1 3.8Å; W445-F510 AromaticContact CZ3-CG 3.94Å; W445-F510 HydrophobicContact CZ3-CG 3.94Å; W445-F510 HydrophobicContact CZ3-CZ 4.27Å; W445-I549 HydrophobicContact CH2-CD1 3.86Å; W445-I549 HydrophobicContact CZ2-CD1 4.31Å; W445-L563 HydrophobicContact CH2-CD2 4.05Å; W445-L563 HydrophobicContact CZ2-CD2 3.38Å; W445-M566 HydrophobicContact CH2-CE 3.72Å; W445-M566 HydrophobicContact CH2-SD 3.77Å; W445-M566 HydrophobicContact CZ2-CE 4.41Å; W445-M566 HydrophobicContact CZ3-CE 3.81Å; W445-M566 HydrophobicContact CZ3-SD 4.05Å
446	G	96.6	Very high	95	Very high	3 Å²	3	21.5 Å²	21.5	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-61.6	-42.6	172	0	0	0	0	0	113.5	N442 A443 A444 A449 L450 G472 S475	N442-G446 PolarHBondContact O-N 2.97Å; A443-G446 WeakPolarHBondContact O-CA 3.41Å; A443-G446 PolarHBondContact O-N 3.38Å; A443-G446 VanDerWaalsContact O-N 3.07Å; A444-G446 VanDerWaalsContact C-N 3.28Å; A444-G446 PolarHBondContact O-N 3.01Å; G446-A449 PolarHBondContact O-N 3.43Å; G446-L450 PolarHBondContact O-N 3.04Å; G446-G472 WeakPolarHBondContact CA-O 3.49Å; G446-S475 VanDerWaalsContact CA-OG 3.32Å; G446-S475 WeakPolarHBondContact CA-OG 3.36Å
447	Q	96.4	Very high	95	Very high	54 Å²	54	28.4 Å²	28.4	25%	0.252	17%	0.165	S	C	.	.	H	α-helix	trans	-63.9	-41	173.1	-62.7	-61.9	-26.5	0	0	111.5	I423 N424 L426 A443 A444 A449 L450 L451	I423-Q447 HydrophobicContact CD1-CB 3.88Å; I423-Q447 HydrophobicContact CG1-CB 4.07Å; I423-Q447 HydrophobicContact CG2-CB 4.06Å; N424-Q447 HydrophobicContact CB-CG 4.35Å; N424-Q447 PolarHBondContact ND2-OE1 3.2Å; L426-Q447 HydrophobicContact CD1-CG 3.93Å; A443-Q447 PolarHBondContact O-N 3.48Å; A444-Q447 WeakPolarHBondContact O-CB 3.44Å; A444-Q447 PolarHBondContact O-N 3.22Å; Q447-A449 PolarHBondContact O-N 3.17Å; Q447-L450 PolarHBondContact O-N 3.36Å; Q447-L451 WeakPolarHBondContact O-CB 3.26Å; Q447-L451 PolarHBondContact O-N 3.47Å
448	C	97	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-42	175.4	-64.3	0	0	0	0	112.2	A444 W445 L451 L452 F510	A444-C448 PolarHBondContact O-N 3.01Å; A444-C448 PolarHBondContact O-SG 3.22Å; W445-C448 HydrophobicContact CE3-CB 4.14Å; W445-C448 WeakPolarHBondContact O-CB 3.31Å; W445-C448 PolarHBondContact O-N 3.45Å; C448-L451 PolarHBondContact O-N 2.95Å; C448-L452 WeakPolarHBondContact O-CB 3.48Å; C448-L452 PolarHBondContact O-N 2.89Å; C448-F510 HydrophobicContact CB-CZ 4.02Å
449	A	96.9	Very high	94.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-46.3	176	0	0	0	0	0	111.8	W445 G446 Q447 L452 Q453 I468 P470 L488	W445-A449 WeakPolarHBondContact O-CB 3.47Å; W445-A449 PolarHBondContact O-N 3.41Å; G446-A449 PolarHBondContact O-N 3.43Å; Q447-A449 PolarHBondContact O-N 3.17Å; A449-L452 PolarHBondContact O-N 3.42Å; A449-Q453 PolarHBondContact O-N 3.17Å; A449-I468 HydrophobicContact CB-CG2 3.84Å; A449-P470 HydrophobicContact CB-CB 4.18Å; A449-L488 HydrophobicContact CB-CD2 4.17Å
450	L	96.5	Very high	94.5	Very high	67 Å²	67	36.4 Å²	36.4	35%	0.351	18%	0.183	S	C	.	.	H	α-helix	trans	-64.7	-43	177.7	-174.6	61.5	0	0	0	111.5	F412 G446 Q447 Q453 C454 P470	F412-L450 HydrophobicContact CE1-CB 4.2Å; F412-L450 HydrophobicContact CE1-CD2 3.97Å; F412-L450 HydrophobicContact CE1-CG 4.07Å; F412-L450 HydrophobicContact CZ-CB 4.35Å; F412-L450 HydrophobicContact CZ-CD2 3.9Å; F412-L450 HydrophobicContact CZ-CG 3.82Å; G446-L450 PolarHBondContact O-N 3.04Å; Q447-L450 PolarHBondContact O-N 3.36Å; L450-Q453 PolarHBondContact O-N 2.79Å; L450-C454 WeakPolarHBondContact O-CB 3.47Å; L450-C454 PolarHBondContact O-N 3.39Å; L450-C454 PolarHBondContact O-SG 3.19Å; L450-P470 HydrophobicContact CB-CB 4.06Å; L450-P470 HydrophobicContact CD1-CB 4.24Å; L450-P470 HydrophobicContact CD1-CG 3.96Å
451	L	96.8	Very high	94.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-48.5	176.5	171.9	58.6	0	0	0	111.8	L408 F412 I414 I423 Q447 C448 Q453 C454 I455 M570 I574	L408-L451 HydrophobicContact CD2-CD1 4.5Å; F412-L451 HydrophobicContact CB-CD1 4.14Å; F412-L451 HydrophobicContact CB-CD2 4.21Å; F412-L451 HydrophobicContact CD1-CB 3.98Å; F412-L451 HydrophobicContact CD2-CB 4.25Å; F412-L451 HydrophobicContact CD2-CD1 3.62Å; F412-L451 HydrophobicContact CD2-CG 4.45Å; F412-L451 HydrophobicContact CE1-CB 4.22Å; F412-L451 HydrophobicContact CE2-CB 4.48Å; F412-L451 HydrophobicContact CE2-CD1 4.23Å; F412-L451 HydrophobicContact CG-CB 4Å; F412-L451 HydrophobicContact CG-CD1 3.91Å; F412-L451 HydrophobicContact CG-CD2 4.5Å; F412-L451 HydrophobicContact CG-CG 4.34Å; F412-L451 HydrophobicContact CZ-CB 4.48Å; I414-L451 HydrophobicContact CD1-CD2 3.87Å; I423-L451 HydrophobicContact CD1-CD2 4.08Å; Q447-L451 WeakPolarHBondContact O-CB 3.26Å; Q447-L451 PolarHBondContact O-N 3.47Å; C448-L451 PolarHBondContact O-N 2.95Å; L451-Q453 VanDerWaalsContact C-N 3.32Å; L451-Q453 PolarHBondContact O-N 2.85Å; L451-C454 WeakPolarHBondContact O-CB 3.41Å; L451-C454 PolarHBondContact O-N 3.09Å; L451-C454 VanDerWaalsContact O-N 3.14Å; L451-I455 HydrophobicContact CD1-CD1 3.93Å; L451-I455 HydrophobicContact CD1-CG1 4.18Å; L451-I455 HydrophobicContact CG-CD1 3.95Å; L451-I455 WeakPolarHBondContact O-CG1 3.49Å; L451-I455 PolarHBondContact O-N 3.3Å; L451-M570 HydrophobicContact CD2-CB 4.15Å; L451-M570 HydrophobicContact CD2-SD 3.81Å; L451-M570 HydrophobicContact CG-SD 4.48Å; L451-I574 HydrophobicContact CD1-CD1 3.79Å; L451-I574 HydrophobicContact CD1-CG1 4.19Å; L451-I574 HydrophobicContact CD2-CD1 4.05Å
452	L	96.1	Very high	94.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-35.9	-179.7	-174.5	58	0	0	0	111.9	C448 A449 I455 G456 F463 I468 F510 C513 L514 A517	C448-L452 WeakPolarHBondContact O-CB 3.48Å; C448-L452 PolarHBondContact O-N 2.89Å; A449-L452 PolarHBondContact O-N 3.42Å; L452-I455 PolarHBondContact O-N 2.95Å; L452-G456 PolarHBondContact O-N 3.39Å; L452-F463 HydrophobicContact CD1-CE1 4.32Å; L452-F463 HydrophobicContact CD1-CZ 3.78Å; L452-F463 HydrophobicContact CG-CE2 4.29Å; L452-F463 HydrophobicContact CG-CZ 3.93Å; L452-I468 HydrophobicContact CB-CD1 3.97Å; L452-I468 HydrophobicContact CD2-CD1 3.58Å; L452-I468 HydrophobicContact CG-CD1 3.52Å; L452-F510 HydrophobicContact CB-CE2 3.9Å; L452-F510 HydrophobicContact CB-CZ 3.98Å; L452-F510 HydrophobicContact CD2-CD1 4.49Å; L452-F510 HydrophobicContact CD2-CD2 3.89Å; L452-F510 HydrophobicContact CD2-CE1 4.13Å; L452-F510 HydrophobicContact CD2-CE2 3.46Å; L452-F510 VanDerWaalsContact CD2-CE2 3.46Å; L452-F510 HydrophobicContact CD2-CG 4.38Å; L452-F510 HydrophobicContact CD2-CZ 3.61Å; L452-F510 HydrophobicContact CG-CE2 4.34Å; L452-F510 HydrophobicContact CG-CZ 4.43Å; L452-C513 HydrophobicContact CD2-CB 3.76Å; L452-L514 HydrophobicContact CD1-CD1 3.93Å; L452-L514 HydrophobicContact CD2-CB 4.37Å; L452-A517 HydrophobicContact CD1-CB 4.46Å
453	Q	94.9	Very high	94.1	Very high	57 Å²	57	43.8 Å²	43.8	27%	0.266	22%	0.217	S	C	.	.	H	α-helix	trans	-63.6	-42	171.8	-167.4	-175.1	23.6	0	0	111.7	A449 L450 L451 I455 G456 K457 P470	A449-Q453 PolarHBondContact O-N 3.17Å; L450-Q453 PolarHBondContact O-N 2.79Å; L451-Q453 VanDerWaalsContact C-N 3.32Å; L451-Q453 PolarHBondContact O-N 2.85Å; Q453-I455 VanDerWaalsContact C-N 3.34Å; Q453-G456 PolarHBondContact O-N 3.48Å; Q453-K457 PolarHBondContact O-N 2.87Å; Q453-P470 VanDerWaalsContact OE1-CD 3.29Å
454	C	94.2	Very high	93.9	Very high	39 Å²	39	48.5 Å²	48.5	26%	0.264	24%	0.236	S	C	.	.	H	α-helix	trans	-62	-40.2	174.6	-74.2	0	0	0	0	112.1	L408 L450 L451 K457 K458	L408-C454 HydrophobicContact CD2-CB 3.92Å; L450-C454 WeakPolarHBondContact O-CB 3.47Å; L450-C454 PolarHBondContact O-N 3.39Å; L450-C454 PolarHBondContact O-SG 3.19Å; L451-C454 WeakPolarHBondContact O-CB 3.41Å; L451-C454 PolarHBondContact O-N 3.09Å; L451-C454 VanDerWaalsContact O-N 3.14Å; C454-K457 PolarHBondContact O-N 3.43Å; C454-K458 VanDerWaalsContact O-CB 3.28Å; C454-K458 WeakPolarHBondContact O-CB 3.13Å; C454-K458 PolarHBondContact O-N 3.11Å
455	I	93.6	Very high	93.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-48	173.8	-71.9	164.1	0	0	0	110.6	L451 L452 Q453 K457 K458 L459 A517 I573 L577	L451-I455 HydrophobicContact CD1-CD1 3.93Å; L451-I455 HydrophobicContact CD1-CG1 4.18Å; L451-I455 HydrophobicContact CG-CD1 3.95Å; L451-I455 WeakPolarHBondContact O-CG1 3.49Å; L451-I455 PolarHBondContact O-N 3.3Å; L452-I455 PolarHBondContact O-N 2.95Å; Q453-I455 VanDerWaalsContact C-N 3.34Å; I455-K457 PolarHBondContact O-N 2.89Å; I455-K458 WeakPolarHBondContact O-CB 3.42Å; I455-K458 PolarHBondContact O-N 3Å; I455-K458 VanDerWaalsContact O-N 3.11Å; I455-L459 HydrophobicContact CG2-CD1 3.9Å; I455-L459 WeakPolarHBondContact O-CB 3.48Å; I455-L459 WeakPolarHBondContact O-CG 3.49Å; I455-L459 PolarHBondContact O-N 2.8Å; I455-A517 HydrophobicContact CG2-CB 4.16Å; I455-I573 HydrophobicContact CD1-CG2 3.71Å; I455-I573 HydrophobicContact CG1-CG2 4.07Å; I455-I573 HydrophobicContact CG2-CG2 3.83Å; I455-L577 HydrophobicContact CG1-CD1 4.22Å; I455-L577 HydrophobicContact CG2-CD1 4.29Å
456	G	92.5	Very high	93.5	Very high	2 Å²	2	54 Å²	54	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-58.1	-47.9	177.1	0	0	0	0	0	112.3	L452 Q453 K458 L459 N460 Y461	L452-G456 PolarHBondContact O-N 3.39Å; Q453-G456 PolarHBondContact O-N 3.48Å; G456-K458 VanDerWaalsContact C-N 3.31Å; G456-K458 PolarHBondContact O-N 2.95Å; G456-L459 CarbonylContact O-C 3.6Å; G456-L459 PolarHBondContact O-N 2.8Å; G456-N460 PolarHBondContact O-N 2.99Å; G456-N460 VanDerWaalsContact O-N 3.1Å; G456-Y461 CarbonylContact C-O 3.48Å; G456-Y461 PolarHBondContact O-N 3.44Å
457	K	92	Very high	93.4	Very high	155 Å²	155	61.5 Å²	61.5	67%	0.674	29%	0.293	S	S	*	.	H	α-helix	trans	-59.1	-40.9	173.3	-74.3	-176.2	176.8	-178.4	0	112.1	Q453 C454 I455 L459 N460	Q453-K457 PolarHBondContact O-N 2.87Å; C454-K457 PolarHBondContact O-N 3.43Å; I455-K457 PolarHBondContact O-N 2.89Å; K457-L459 VanDerWaalsContact C-N 3.33Å; K457-L459 PolarHBondContact O-N 3.49Å; K457-N460 PolarHBondContact O-N 3.28Å; K457-N460 VanDerWaalsContact O-N 3.09Å
458	K	88.7	Confident	93.4	Very high	111 Å²	111	59.2 Å²	59.2	48%	0.483	28%	0.282	S	S	.	.	H	α-helix	trans	-66.9	-35	179.8	-169.1	69.5	-170	169.4	0	112.8	C454 I455 G456 L577	C454-K458 VanDerWaalsContact O-CB 3.28Å; C454-K458 WeakPolarHBondContact O-CB 3.13Å; C454-K458 PolarHBondContact O-N 3.11Å; I455-K458 WeakPolarHBondContact O-CB 3.42Å; I455-K458 PolarHBondContact O-N 3Å; I455-K458 VanDerWaalsContact O-N 3.11Å; G456-K458 VanDerWaalsContact C-N 3.31Å; G456-K458 PolarHBondContact O-N 2.95Å; K458-L577 HydrophobicContact CG-CD1 4.34Å; K458-L577 HydrophobicContact CG-CD2 4.43Å
459	L	88.8	Confident	93.2	Very high	27 Å²	27	60.6 Å²	60.6	14%	0.141	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-5.3	174.2	-71	173.3	0	0	0	113	I455 G456 K457 Y461 A517 I520 I521 L577	I455-L459 HydrophobicContact CG2-CD1 3.9Å; I455-L459 WeakPolarHBondContact O-CB 3.48Å; I455-L459 WeakPolarHBondContact O-CG 3.49Å; I455-L459 PolarHBondContact O-N 2.8Å; G456-L459 CarbonylContact O-C 3.6Å; G456-L459 PolarHBondContact O-N 2.8Å; K457-L459 VanDerWaalsContact C-N 3.33Å; K457-L459 PolarHBondContact O-N 3.49Å; L459-Y461 PolarHBondContact O-N 3.49Å; L459-A517 HydrophobicContact CD1-CB 4.25Å; L459-I520 HydrophobicContact CD1-CG2 4.44Å; L459-I520 HydrophobicContact CD2-CG2 4.17Å; L459-I521 HydrophobicContact CD1-CD1 4.31Å; L459-I521 HydrophobicContact CD1-CG1 4.42Å; L459-I521 HydrophobicContact CD2-CG1 4.32Å; L459-L577 HydrophobicContact CD2-CD2 3.52Å; L459-L577 HydrophobicContact CG-CD2 4.06Å
460	N	89.6	Confident	93.1	Very high	157 Å²	157	62.4 Å²	62.4	84%	0.84	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	41.6	-168.7	-161.9	36.8	0	0	0	112	G456 K457	G456-N460 PolarHBondContact O-N 2.99Å; G456-N460 VanDerWaalsContact O-N 3.1Å; K457-N460 PolarHBondContact O-N 3.28Å; K457-N460 VanDerWaalsContact O-N 3.09Å
461	Y	91.6	Very high	92.9	Very high	57 Å²	57	64.5 Å²	64.5	22%	0.224	31%	0.311	C	S	.	.			trans	-121.6	133.6	-173.9	-178.1	-104.7	0	0	0	111	G456 L459 F463 Q464 Q516 I520	G456-Y461 CarbonylContact C-O 3.48Å; G456-Y461 PolarHBondContact O-N 3.44Å; L459-Y461 PolarHBondContact O-N 3.49Å; Y461-F463 HydrophobicContact CD1-CD1 4Å; Y461-F463 HydrophobicContact CD1-CE1 4.2Å; Y461-F463 AromaticContact CE1-CD1 3.83Å; Y461-F463 HydrophobicContact CE1-CD1 3.83Å; Y461-F463 HydrophobicContact CE1-CE1 4.36Å; Y461-F463 HydrophobicContact CE1-CG 4.43Å; Y461-Q464 WeakPolarHBondContact OH-CG 3.33Å; Y461-Q464 PolarHBondContact OH-NE2 3.18Å; Y461-Q516 HydrophobicContact CE1-CB 3.99Å; Y461-Q516 PolarHBondContact OH-OE1 3Å; Y461-I520 HydrophobicContact CD1-CD1 3.67Å; Y461-I520 HydrophobicContact CD2-CD1 3.58Å; Y461-I520 HydrophobicContact CE1-CD1 3.9Å; Y461-I520 HydrophobicContact CE2-CD1 3.82Å; Y461-I520 HydrophobicContact CG-CD1 3.5Å; Y461-I520 VanDerWaalsContact CG-CD1 3.5Å
462	I	92	Very high	92.7	Very high	153 Å²	153	66.4 Å²	66.4	79%	0.785	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-99.9	119.5	174	-59.4	171	0	0	0	107	Q464	I462-Q464 PolarHBondContact O-N 3.33Å
463	F	93.2	Very high	92.5	Very high	18 Å²	18	69.1 Å²	69.1	8%	0.079	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-60.7	135.7	179.7	-62.5	-72.9	0	0	0	111.8	L452 Y461 H466 I468 C513 Q516 A517	L452-F463 HydrophobicContact CD1-CE1 4.32Å; L452-F463 HydrophobicContact CD1-CZ 3.78Å; L452-F463 HydrophobicContact CG-CE2 4.29Å; L452-F463 HydrophobicContact CG-CZ 3.93Å; Y461-F463 HydrophobicContact CD1-CD1 4Å; Y461-F463 HydrophobicContact CD1-CE1 4.2Å; Y461-F463 AromaticContact CE1-CD1 3.83Å; Y461-F463 HydrophobicContact CE1-CD1 3.83Å; Y461-F463 HydrophobicContact CE1-CE1 4.36Å; Y461-F463 HydrophobicContact CE1-CG 4.43Å; F463-H466 WeakPolarHBondContact CB-O 3.24Å; F463-I468 HydrophobicContact CD2-CD1 3.78Å; F463-I468 HydrophobicContact CE2-CD1 3.63Å; F463-I468 HydrophobicContact CZ-CD1 4.4Å; F463-C513 HydrophobicContact CB-CB 4.39Å; F463-C513 HydrophobicContact CD1-CB 3.71Å; F463-C513 WeakPolarHBondContact CD1-O 3.47Å; F463-C513 HydrophobicContact CD2-CB 4.49Å; F463-C513 HydrophobicContact CE1-CB 4.07Å; F463-C513 WeakPolarHBondContact CE1-O 3.46Å; F463-C513 HydrophobicContact CG-CB 3.95Å; F463-Q516 HydrophobicContact CD1-CB 4.35Å; F463-A517 HydrophobicContact CE1-CB 4.12Å
464	Q	91	Very high	92.4	Very high	118 Å²	118	72.3 Å²	72.3	55%	0.551	37%	0.365	S	S	*	.	S	Bend	trans	-79.7	146.7	178.4	-64.3	175	9	0	0	110.6	Y461 I462 H466 Q516	Y461-Q464 WeakPolarHBondContact OH-CG 3.33Å; Y461-Q464 PolarHBondContact OH-NE2 3.18Å; I462-Q464 PolarHBondContact O-N 3.33Å; Q464-H466 PolarHBondContact O-N 3.17Å; Q464-Q516 PolarHBondContact O-NE2 3.2Å; Q464-Q516 VanDerWaalsContact O-NE2 3.1Å
465	N	91.3	Very high	92.5	Very high	101 Å²	101	70.4 Å²	70.4	54%	0.54	35%	0.353	S	S	.	.	S	Bend	trans	63.6	-20.5	176.7	-53.7	-39.5	0	0	0	116.2	L480	N465-L480 WeakPolarHBondContact O-CB 3.5Å; N465-L480 PolarHBondContact O-N 3Å
466	H	93.7	Very high	92.5	Very high	16 Å²	16	72.7 Å²	72.7	7%	0.074	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	143.6	-173.1	-54.9	107.7	0	0	0	111.5	F463 Q464 M477 V478 N509 D512	F463-H466 WeakPolarHBondContact CB-O 3.24Å; Q464-H466 PolarHBondContact O-N 3.17Å; H466-M477 HydrophobicContact CB-CE 4.19Å; H466-V478 CarbonylContact C-O 3Å; H466-V478 VanDerWaalsContact CA-O 3.29Å; H466-V478 WeakPolarHBondContact CA-O 2.88Å; H466-N509 VanDerWaalsContact CD2-CG 3.47Å; H466-N509 VanDerWaalsContact NE2-CG 3.32Å; H466-N509 PolarHBondContact NE2-OD1 3.34Å; H466-D512 IonicContact CE1-OD2 3.99Å
467	R	94.4	Very high	92.7	Very high	159 Å²	159	72.6 Å²	72.6	60%	0.6	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.4	173.3	175.8	-177.7	175.3	-166	-0.1	109.8	V469 V478 L480	R467-V469 HydrophobicContact CG-CG2 4.47Å; R467-V478 HydrophobicContact CB-CB 4.34Å; R467-V478 PolarHBondContact N-O 2.93Å; R467-V478 PolarHBondContact O-N 3Å; R467-L480 HydrophobicContact CB-CD2 4.16Å
468	I	95.7	Very high	92.8	Very high	7 Å²	7	66.1 Å²	66.1	4%	0.036	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.4	177.1	-53.5	156.5	0	0	0	109	A449 L452 F463 M477 C513	A449-I468 HydrophobicContact CB-CG2 3.84Å; L452-I468 HydrophobicContact CB-CD1 3.97Å; L452-I468 HydrophobicContact CD2-CD1 3.58Å; L452-I468 HydrophobicContact CG-CD1 3.52Å; F463-I468 HydrophobicContact CD2-CD1 3.78Å; F463-I468 HydrophobicContact CE2-CD1 3.63Å; F463-I468 HydrophobicContact CZ-CD1 4.4Å; I468-M477 HydrophobicContact CB-SD 4.14Å; I468-M477 HydrophobicContact CG1-CE 3.7Å; I468-M477 HydrophobicContact CG1-SD 3.75Å; I468-M477 HydrophobicContact CG2-SD 4.11Å; I468-C513 HydrophobicContact CD1-CB 4.3Å
469	V	94.7	Very high	93.1	Very high	29 Å²	29	62.8 Å²	62.8	18%	0.176	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	94	176.7	-175.9	0	0	0	0	108.6	R467 M471 K476 V478	R467-V469 HydrophobicContact CG-CG2 4.47Å; V469-M471 HydrophobicContact CG1-CE 3.8Å; V469-M471 HydrophobicContact CG1-CG 4.13Å; V469-M471 HydrophobicContact CG1-SD 4.26Å; V469-M471 PolarHBondContact O-N 3.34Å; V469-K476 PolarHBondContact N-O 2.83Å; V469-K476 PolarHBondContact O-N 2.83Å; V469-V478 HydrophobicContact CG2-CG2 3.83Å
470	P	94	Very high	93.2	Very high	37 Å²	37	66 Å²	66	24%	0.24	34%	0.337	C	S	.	.			trans	-74.4	124	177.3	29.1	-31.1	0	0	0	110.6	A449 L450 Q453 S475	A449-P470 HydrophobicContact CB-CB 4.18Å; L450-P470 HydrophobicContact CB-CB 4.06Å; L450-P470 HydrophobicContact CD1-CB 4.24Å; L450-P470 HydrophobicContact CD1-CG 3.96Å; Q453-P470 VanDerWaalsContact OE1-CD 3.29Å; P470-S475 WeakPolarHBondContact CA-OG 3.37Å
471	M	92.8	Very high	93.2	Very high	111 Å²	111	62.7 Å²	62.7	55%	0.547	33%	0.327	S	S	.	.			trans	-135.1	41	177.5	-71.1	179.9	167.1	0	0	110	V469 S473 Q474 S475	V469-M471 HydrophobicContact CG1-CE 3.8Å; V469-M471 HydrophobicContact CG1-CG 4.13Å; V469-M471 HydrophobicContact CG1-SD 4.26Å; V469-M471 PolarHBondContact O-N 3.34Å; M471-S473 PolarHBondContact O-N 2.96Å; M471-Q474 PolarHBondContact O-N 3.32Å; M471-Q474 VanDerWaalsContact O-N 3.15Å; M471-S475 PolarHBondContact N-OG 3.03Å
472	G	92.8	Very high	93.2	Very high	41 Å²	41	65.5 Å²	65.5	42%	0.423	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	57.5	-130.9	-173.7	0	0	0	0	0	111.3	G446 Q474 S475	G446-G472 WeakPolarHBondContact CA-O 3.49Å; G472-Q474 PolarHBondContact O-N 2.95Å; G472-S475 PolarHBondContact N-OG 3.14Å; G472-S475 PolarHBondContact O-N 3.46Å; G472-S475 PolarHBondContact O-OG 3.01Å
473	S	91.7	Very high	93	Very high	56 Å²	56	62.9 Å²	62.9	39%	0.392	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-65	-5.9	-179.6	-47.4	0	0	0	0	115	A443 M471 Y489	A443-S473 WeakPolarHBondContact CB-OG 3.35Å; M471-S473 PolarHBondContact O-N 2.96Å; S473-Y489 VanDerWaalsContact O-CB 3.3Å; S473-Y489 WeakPolarHBondContact O-CB 3.26Å
474	Q	92.9	Very high	93	Very high	124 Å²	124	67 Å²	67	58%	0.579	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-118.6	30.2	177.6	-60.5	-175.6	20.2	0	0	112.3	M471 G472 K476 Y489	M471-Q474 PolarHBondContact O-N 3.32Å; M471-Q474 VanDerWaalsContact O-N 3.15Å; G472-Q474 PolarHBondContact O-N 2.95Å; Q474-K476 WeakPolarHBondContact O-CG 3.39Å; Q474-Y489 HydrophobicContact CB-CD1 4.25Å; Q474-Y489 HydrophobicContact CB-CE1 4.05Å
475	S	95.5	Very high	93	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.355	C	S	.	.			trans	-59.4	153.1	179.1	-65.8	0	0	0	0	112.8	G446 P470 M471 G472 L488 Y489	G446-S475 VanDerWaalsContact CA-OG 3.32Å; G446-S475 WeakPolarHBondContact CA-OG 3.36Å; P470-S475 WeakPolarHBondContact CA-OG 3.37Å; M471-S475 PolarHBondContact N-OG 3.03Å; G472-S475 PolarHBondContact N-OG 3.14Å; G472-S475 PolarHBondContact O-N 3.46Å; G472-S475 PolarHBondContact O-OG 3.01Å; S475-L488 WeakPolarHBondContact O-CA 3.17Å; S475-L488 WeakPolarHBondContact O-CB 3.43Å; S475-L488 PolarHBondContact O-N 3.31Å; S475-Y489 WeakPolarHBondContact O-CD1 3.39Å
476	K	94.4	Very high	93.2	Very high	48 Å²	48	62.2 Å²	62.2	21%	0.209	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.4	-173.1	-52.9	179.1	-177	175	0	112.4	V469 Q474 E485 F486	V469-K476 PolarHBondContact N-O 2.83Å; V469-K476 PolarHBondContact O-N 2.83Å; Q474-K476 WeakPolarHBondContact O-CG 3.39Å; K476-E485 VanDerWaalsContact CD-OE2 3.25Å; K476-E485 WeakPolarHBondContact CD-OE2 3.41Å; K476-E485 IonicContact NZ-OE2 3.53Å; K476-E485 PolarHBondContact NZ-OE2 3.41Å; K476-F486 WeakPolarHBondContact CA-O 3.39Å
477	M	95.7	Very high	93.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.4	170.5	-65.8	-59.4	-62.3	0	0	109.3	H466 I468 F486 L488 A506 N509 F510	H466-M477 HydrophobicContact CB-CE 4.19Å; I468-M477 HydrophobicContact CB-SD 4.14Å; I468-M477 HydrophobicContact CG1-CE 3.7Å; I468-M477 HydrophobicContact CG1-SD 3.75Å; I468-M477 HydrophobicContact CG2-SD 4.11Å; M477-F486 PolarHBondContact N-O 2.85Å; M477-F486 PolarHBondContact O-N 3.49Å; M477-L488 HydrophobicContact CG-CD1 4.47Å; M477-A506 HydrophobicContact CB-CB 4.34Å; M477-A506 HydrophobicContact CG-CB 4.26Å; M477-N509 HydrophobicContact CB-CB 4.34Å; M477-N509 HydrophobicContact CE-CB 4.28Å; M477-F510 HydrophobicContact CE-CB 4.34Å; M477-F510 HydrophobicContact CG-CB 4.35Å; M477-F510 HydrophobicContact SD-CB 4.21Å; M477-F510 HydrophobicContact SD-CD2 4.06Å
478	V	94.8	Very high	93.2	Very high	18 Å²	18	55 Å²	55	11%	0.109	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.5	177.5	-174.1	0	0	0	0	108.8	H466 R467 V469 E485	H466-V478 CarbonylContact C-O 3Å; H466-V478 VanDerWaalsContact CA-O 3.29Å; H466-V478 WeakPolarHBondContact CA-O 2.88Å; R467-V478 HydrophobicContact CB-CB 4.34Å; R467-V478 PolarHBondContact N-O 2.93Å; R467-V478 PolarHBondContact O-N 3Å; V469-V478 HydrophobicContact CG2-CG2 3.83Å; V478-E485 HydrophobicContact CG2-CG 4.11Å
479	Q	94.1	Very high	93	Very high	41 Å²	41	57 Å²	57	19%	0.192	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	118	172.4	-175.1	176	-12.4	0	0	109.4	S481 S483 K484 F486	Q479-S481 PolarHBondContact NE2-OG 2.73Å; Q479-S481 PolarHBondContact O-N 3.08Å; Q479-S483 VanDerWaalsContact O-CA 3.23Å; Q479-S483 WeakPolarHBondContact O-CA 3.32Å; Q479-S483 PolarHBondContact O-N 3.36Å; Q479-K484 PolarHBondContact N-O 2.84Å; Q479-K484 PolarHBondContact O-N 3.07Å; Q479-F486 HydrophobicContact CB-CD2 4.36Å; Q479-F486 HydrophobicContact CB-CE2 3.85Å
480	L	90.6	Very high	92.8	Very high	94 Å²	94	56.4 Å²	56.4	49%	0.492	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-33.7	-171.8	-65.1	172.7	0	0	0	112.7	N465 R467 I482 S483	N465-L480 WeakPolarHBondContact O-CB 3.5Å; N465-L480 PolarHBondContact O-N 3Å; R467-L480 HydrophobicContact CB-CD2 4.16Å; L480-I482 VanDerWaalsContact C-N 3.31Å; L480-I482 PolarHBondContact O-N 2.62Å; L480-S483 PolarHBondContact O-N 3.28Å
481	S	89.6	Confident	92.3	Very high	89 Å²	89	57.3 Å²	57.3	62%	0.622	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-30.7	-177	61.3	0	0	0	0	114	Q479	Q479-S481 PolarHBondContact NE2-OG 2.73Å; Q479-S481 PolarHBondContact O-N 3.08Å
482	I	91.3	Very high	91.3	Very high	115 Å²	115	55.3 Å²	55.3	59%	0.59	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-2.9	-178.4	-50.1	171	0	0	0	110.4	L480 K484	L480-I482 VanDerWaalsContact C-N 3.31Å; L480-I482 PolarHBondContact O-N 2.62Å; I482-K484 HydrophobicContact CB-CB 4.24Å; I482-K484 HydrophobicContact CG2-CB 4.16Å; I482-K484 PolarHBondContact O-N 3.27Å
483	S	89.1	Confident	89.8	Confident	99 Å²	99	57.3 Å²	57.3	69%	0.692	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	37.7	-169.7	-168.5	0	0	0	0	113.1	Q479 L480	Q479-S483 VanDerWaalsContact O-CA 3.23Å; Q479-S483 WeakPolarHBondContact O-CA 3.32Å; Q479-S483 PolarHBondContact O-N 3.36Å; L480-S483 PolarHBondContact O-N 3.28Å
484	K	92.4	Very high	88	Confident	104 Å²	104	56.9 Å²	56.9	45%	0.452	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.9	-175.7	-173.4	172.5	-179.9	177	0	111	Q479 I482 F486	Q479-K484 PolarHBondContact N-O 2.84Å; Q479-K484 PolarHBondContact O-N 3.07Å; I482-K484 HydrophobicContact CB-CB 4.24Å; I482-K484 HydrophobicContact CG2-CB 4.16Å; I482-K484 PolarHBondContact O-N 3.27Å; K484-F486 HydrophobicContact CB-CE2 4.13Å; K484-F486 HydrophobicContact CB-CZ 4.45Å; K484-F486 HydrophobicContact CD-CE1 4.33Å; K484-F486 HydrophobicContact CD-CE2 4.32Å; K484-F486 HydrophobicContact CD-CZ 3.82Å; K484-F486 HydrophobicContact CG-CE2 4.09Å; K484-F486 HydrophobicContact CG-CZ 4.07Å
485	E	92.5	Very high	86.1	Confident	103 Å²	103	57.6 Å²	57.6	48%	0.481	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	136.8	175.7	-50.5	-167	165.2	0	0	111.6	K476 V478	K476-E485 VanDerWaalsContact CD-OE2 3.25Å; K476-E485 WeakPolarHBondContact CD-OE2 3.41Å; K476-E485 IonicContact NZ-OE2 3.53Å; K476-E485 PolarHBondContact NZ-OE2 3.41Å; V478-E485 HydrophobicContact CG2-CG 4.11Å
486	F	94.3	Very high	84.1	Confident	16 Å²	16	64.9 Å²	64.9	7%	0.07	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.4	173.7	-63.1	-87.5	0	0	0	109.2	K476 M477 Q479 K484 L488 K502 T505 A506	K476-F486 WeakPolarHBondContact CA-O 3.39Å; M477-F486 PolarHBondContact N-O 2.85Å; M477-F486 PolarHBondContact O-N 3.49Å; Q479-F486 HydrophobicContact CB-CD2 4.36Å; Q479-F486 HydrophobicContact CB-CE2 3.85Å; K484-F486 HydrophobicContact CB-CE2 4.13Å; K484-F486 HydrophobicContact CB-CZ 4.45Å; K484-F486 HydrophobicContact CD-CE1 4.33Å; K484-F486 HydrophobicContact CD-CE2 4.32Å; K484-F486 HydrophobicContact CD-CZ 3.82Å; K484-F486 HydrophobicContact CG-CE2 4.09Å; K484-F486 HydrophobicContact CG-CZ 4.07Å; F486-L488 PolarHBondContact O-N 3.29Å; F486-K502 HydrophobicContact CD1-CB 4.4Å; F486-T505 HydrophobicContact CD1-CG2 3.72Å; F486-T505 HydrophobicContact CD2-CG2 4.41Å; F486-T505 HydrophobicContact CE1-CG2 3.59Å; F486-T505 HydrophobicContact CE2-CG2 4.3Å; F486-T505 HydrophobicContact CG-CG2 4.13Å; F486-T505 HydrophobicContact CZ-CG2 3.89Å; F486-A506 HydrophobicContact CB-CB 3.84Å
487	P	94.1	Very high	82.3	Confident	21 Å²	21	70.5 Å²	70.5	14%	0.136	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	128.9	-179.6	28.4	-34.1	0	0	0	110.9	Y489 K502 A506	P487-Y489 HydrophobicContact CB-CD1 3.72Å; P487-Y489 HydrophobicContact CB-CE1 3.4Å; P487-Y489 VanDerWaalsContact CB-CE1 3.4Å; P487-Y489 HydrophobicContact CB-CE2 4.35Å; P487-Y489 HydrophobicContact CB-CG 4.32Å; P487-Y489 PolarHBondContact O-N 3.36Å; P487-K502 HydrophobicContact CG-CB 4.16Å; P487-A506 WeakPolarHBondContact O-CB 3.3Å
488	L	94.1	Very high	80.6	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.005	43%	0.425	C	S	.	.	S	Bend	trans	-94.2	40.1	171.9	-164.9	68.3	0	0	0	110.2	W445 A449 S475 M477 F486 A506 M507 F510	W445-L488 HydrophobicContact CB-CD2 4.49Å; W445-L488 HydrophobicContact CB-CG 4.28Å; W445-L488 HydrophobicContact CD2-CD1 4.22Å; W445-L488 HydrophobicContact CD2-CD2 4.36Å; W445-L488 HydrophobicContact CD2-CG 4.06Å; W445-L488 HydrophobicContact CE3-CD1 3.88Å; W445-L488 HydrophobicContact CE3-CD2 3.66Å; W445-L488 HydrophobicContact CE3-CG 3.79Å; W445-L488 HydrophobicContact CG-CG 4.31Å; W445-L488 HydrophobicContact CH2-CD1 4.46Å; W445-L488 HydrophobicContact CZ3-CD1 4.01Å; W445-L488 HydrophobicContact CZ3-CD2 4.24Å; W445-L488 HydrophobicContact CZ3-CG 4.4Å; A449-L488 HydrophobicContact CB-CD2 4.17Å; S475-L488 WeakPolarHBondContact O-CA 3.17Å; S475-L488 WeakPolarHBondContact O-CB 3.43Å; S475-L488 PolarHBondContact O-N 3.31Å; M477-L488 HydrophobicContact CG-CD1 4.47Å; F486-L488 PolarHBondContact O-N 3.29Å; L488-A506 HydrophobicContact CB-CB 4.31Å; L488-A506 HydrophobicContact CD1-CB 3.87Å; L488-M507 HydrophobicContact CD1-CG 4.05Å; L488-F510 HydrophobicContact CD1-CB 4.36Å; L488-F510 HydrophobicContact CD2-CD2 4.03Å
489	Y	92.4	Very high	79.3	Confident	50 Å²	50	75.8 Å²	75.8	20%	0.196	43%	0.426	C	S	.	.	S	Bend	trans	-148.8	150.3	176.7	61.8	-88.4	0	0	0	109.4	N442 S473 Q474 S475 P487 T491	N442-Y489 WeakPolarHBondContact OD1-CA 3.38Å; S473-Y489 VanDerWaalsContact O-CB 3.3Å; S473-Y489 WeakPolarHBondContact O-CB 3.26Å; Q474-Y489 HydrophobicContact CB-CD1 4.25Å; Q474-Y489 HydrophobicContact CB-CE1 4.05Å; S475-Y489 WeakPolarHBondContact O-CD1 3.39Å; P487-Y489 HydrophobicContact CB-CD1 3.72Å; P487-Y489 HydrophobicContact CB-CE1 3.4Å; P487-Y489 VanDerWaalsContact CB-CE1 3.4Å; P487-Y489 HydrophobicContact CB-CE2 4.35Å; P487-Y489 HydrophobicContact CB-CG 4.32Å; P487-Y489 PolarHBondContact O-N 3.36Å; Y489-T491 HydrophobicContact CD2-CG2 3.75Å; Y489-T491 HydrophobicContact CE2-CG2 3.6Å
490	Y	89.4	Confident	78.4	Confident	16 Å²	16	74 Å²	74	6%	0.063	42%	0.418	C	S	.	.			trans	-105.8	132.3	177.9	-169.8	-98.2	0	0	0	110.9	W438 N442 A500 F503	W438-Y490 AromaticContact CD2-CD1 3.63Å; W438-Y490 HydrophobicContact CD2-CD1 3.63Å; W438-Y490 HydrophobicContact CD2-CE1 4.5Å; W438-Y490 HydrophobicContact CD2-CG 4.2Å; W438-Y490 AromaticContact CE2-CD1 3.54Å; W438-Y490 AromaticContact CE2-CE1 3.99Å; W438-Y490 AromaticContact CE3-CD1 3.96Å; W438-Y490 HydrophobicContact CE3-CD1 3.96Å; W438-Y490 HydrophobicContact CE3-CG 4.05Å; W438-Y490 HydrophobicContact CG-CD1 4.1Å; W438-Y490 HydrophobicContact CH2-CD1 4.13Å; W438-Y490 HydrophobicContact CH2-CG 4.12Å; W438-Y490 AromaticContact CZ2-CD1 3.82Å; W438-Y490 HydrophobicContact CZ2-CD1 3.82Å; W438-Y490 HydrophobicContact CZ2-CE1 4.13Å; W438-Y490 HydrophobicContact CZ2-CG 4.28Å; W438-Y490 HydrophobicContact CZ3-CD1 4.19Å; W438-Y490 AromaticContact CZ3-CG 4Å; W438-Y490 HydrophobicContact CZ3-CG 4Å; W438-Y490 AromaticContact NE1-CD1 3.95Å; N442-Y490 PolarHBondContact ND2-O 3.43Å; N442-Y490 PolarHBondContact OD1-N 2.63Å; Y490-A500 HydrophobicContact CE2-CB 3.92Å; Y490-F503 HydrophobicContact CD2-CD1 4.23Å
491	T	83.2	Confident	78.2	Confident	56 Å²	56	71.1 Å²	71.1	34%	0.344	41%	0.411	S	S	.	.			trans	-107.8	119.1	177.9	53.1	0	0	0	0	110.6	Y489 G493 S499	Y489-T491 HydrophobicContact CD2-CG2 3.75Å; Y489-T491 HydrophobicContact CE2-CG2 3.6Å; T491-G493 VanDerWaalsContact C-N 3.3Å; T491-G493 PolarHBondContact O-N 3.44Å; T491-S499 PolarHBondContact OG1-OG 3.05Å
492	T	72.8	Confident	78.2	Confident	70 Å²	70	71.8 Å²	71.8	43%	0.429	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.7	-178.2	-45.6	0	0	0	0	113.2	W438	W438-T492 VanDerWaalsContact CD1-OG1 3.31Å
493	G	60.4	Low	78.2	Confident	83 Å²	83	66.3 Å²	66.3	86%	0.856	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	5.1	-161.5	0	0	0	0	0	119.1	T491	T491-G493 VanDerWaalsContact C-N 3.3Å; T491-G493 PolarHBondContact O-N 3.44Å
494	G	54.8	Low	78.4	Confident	46 Å²	46	62.2 Å²	62.2	47%	0.474	35%	0.345	S	S	.	.	S	Bend	trans	-167.2	121.1	179.1	0	0	0	0	0	113.1
495	M	52.2	Low	78.5	Confident	140 Å²	140	59.3 Å²	59.3	69%	0.69	34%	0.336	S	S	*	.			trans	49.8	63	178.2	-56.9	-176.3	88.4	0	0	114.9	L497 L498 S499	M495-L497 PolarHBondContact O-N 3.02Å; M495-L498 HydrophobicContact CE-CD1 3.32Å; M495-L498 HydrophobicContact CE-CG 4.22Å; M495-L498 PolarHBondContact O-N 2.83Å; M495-L498 VanDerWaalsContact O-N 3.09Å; M495-L498 HydrophobicContact SD-CD1 4Å; M495-S499 PolarHBondContact O-N 2.96Å
496	R	54.7	Low	78.6	Confident	153 Å²	153	54.4 Å²	54.4	58%	0.577	31%	0.313	S	S	*	.	H	α-helix	trans	-43.1	-43.3	176.4	-79	-174	-179.3	-176.2	0.7	113.6	L498 A500	R496-L498 PolarHBondContact O-N 3.13Å; R496-A500 WeakPolarHBondContact O-CB 3.43Å; R496-A500 PolarHBondContact O-N 3.43Å
497	L	56.1	Low	78.7	Confident	165 Å²	165	53.7 Å²	53.7	86%	0.864	31%	0.31	S	S	*	.	H	α-helix	trans	-68.2	-30.9	-174.7	-90.7	71.8	0	0	0	114.2	M495	M495-L497 PolarHBondContact O-N 3.02Å
498	L	59.2	Low	78.7	Confident	112 Å²	112	53.9 Å²	53.9	59%	0.586	31%	0.31	S	S	*	.	H	α-helix	trans	-89	-28.2	-179.6	-65.9	-178.4	0	0	0	113	M495 R496	M495-L498 HydrophobicContact CE-CD1 3.32Å; M495-L498 HydrophobicContact CE-CG 4.22Å; M495-L498 PolarHBondContact O-N 2.83Å; M495-L498 VanDerWaalsContact O-N 3.09Å; M495-L498 HydrophobicContact SD-CD1 4Å; R496-L498 PolarHBondContact O-N 3.13Å
499	S	67.8	Low	78.8	Confident	18 Å²	18	54.3 Å²	54.3	13%	0.126	31%	0.312	C	S	.	.	H	α-helix	trans	-78.9	-39.6	-178.7	-163.8	0	0	0	0	111.9	T491 M495 G501 K502 F503	T491-S499 PolarHBondContact OG1-OG 3.05Å; M495-S499 PolarHBondContact O-N 2.96Å; S499-G501 PolarHBondContact O-N 2.91Å; S499-K502 PolarHBondContact O-N 2.83Å; S499-K502 VanDerWaalsContact O-N 3.15Å; S499-F503 PolarHBondContact O-N 2.83Å
500	A	75.4	Confident	79	Confident	4 Å²	4	52 Å²	52	3%	0.033	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-43	-174.6	0	0	0	0	0	113.5	Y490 R496 K502 F503 D504 N552	Y490-A500 HydrophobicContact CE2-CB 3.92Å; R496-A500 WeakPolarHBondContact O-CB 3.43Å; R496-A500 PolarHBondContact O-N 3.43Å; A500-K502 VanDerWaalsContact C-N 3.31Å; A500-K502 PolarHBondContact O-N 2.82Å; A500-F503 PolarHBondContact O-N 3.3Å; A500-D504 PolarHBondContact O-N 3.03Å; A500-N552 VanDerWaalsContact C-ND2 3.33Å; A500-N552 WeakPolarHBondContact CB-ND2 3.37Å; A500-N552 VanDerWaalsContact CB-OD1 3.3Å; A500-N552 WeakPolarHBondContact CB-OD1 3.46Å; A500-N552 PolarHBondContact O-ND2 2.96Å
501	G	85.8	Confident	79.3	Confident	33 Å²	33	51.2 Å²	51.2	34%	0.34	30%	0.299	S	S	.	.	H	α-helix	trans	-66.2	-31.6	178.9	0	0	0	0	0	113.4	S499 T505 N552	S499-G501 PolarHBondContact O-N 2.91Å; G501-T505 PolarHBondContact O-N 2.87Å; G501-T505 VanDerWaalsContact O-N 3.12Å; G501-T505 PolarHBondContact O-OG1 2.89Å; G501-N552 PolarHBondContact N-ND2 2.86Å
502	K	90.2	Very high	79.8	Confident	102 Å²	102	50.8 Å²	50.8	44%	0.443	30%	0.295	S	S	.	.	H	α-helix	trans	-72.1	-38.5	175	-62.5	-178.1	-177.3	177.6	0	111.5	F486 P487 S499 A500 T505 A506	F486-K502 HydrophobicContact CD1-CB 4.4Å; P487-K502 HydrophobicContact CG-CB 4.16Å; S499-K502 PolarHBondContact O-N 2.83Å; S499-K502 VanDerWaalsContact O-N 3.15Å; A500-K502 VanDerWaalsContact C-N 3.31Å; A500-K502 PolarHBondContact O-N 2.82Å; K502-T505 PolarHBondContact O-N 3.25Å; K502-A506 PolarHBondContact O-N 3.27Å
503	F	92.4	Very high	80.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-44.6	174.5	179.9	-119.6	0	0	0	111.8	W438 W445 Y490 S499 A500 T505 A506 M507 W559	W438-F503 HydrophobicContact CZ3-CE1 4.42Å; W445-F503 AromaticContact NE1-CZ 3.72Å; Y490-F503 HydrophobicContact CD2-CD1 4.23Å; S499-F503 PolarHBondContact O-N 2.83Å; A500-F503 PolarHBondContact O-N 3.3Å; F503-T505 VanDerWaalsContact C-N 3.29Å; F503-T505 PolarHBondContact O-N 3.45Å; F503-A506 WeakPolarHBondContact O-CB 3.29Å; F503-A506 PolarHBondContact O-N 3.33Å; F503-A506 VanDerWaalsContact O-N 3.13Å; F503-M507 HydrophobicContact CD1-CE 3.53Å; F503-M507 HydrophobicContact CD1-SD 4.17Å; F503-M507 HydrophobicContact CD2-CG 4.49Å; F503-M507 HydrophobicContact CE1-CE 3.41Å; F503-M507 VanDerWaalsContact CE1-CE 3.41Å; F503-M507 HydrophobicContact CE1-CG 4.39Å; F503-M507 HydrophobicContact CE1-SD 3.52Å; F503-M507 VanDerWaalsContact CE1-SD 3.52Å; F503-M507 HydrophobicContact CE2-CG 4.12Å; F503-M507 HydrophobicContact CE2-SD 4.2Å; F503-M507 HydrophobicContact CG-CE 4.26Å; F503-M507 HydrophobicContact CZ-CE 4.04Å; F503-M507 HydrophobicContact CZ-CG 4.07Å; F503-M507 HydrophobicContact CZ-SD 3.53Å; F503-M507 VanDerWaalsContact CZ-SD 3.53Å; F503-M507 WeakPolarHBondContact O-CG 3.44Å; F503-M507 PolarHBondContact O-N 3.37Å; F503-W559 HydrophobicContact CE1-CZ2 4.21Å
504	D	93.3	Very high	82.5	Confident	13 Å²	13	43.5 Å²	43.5	7%	0.07	23%	0.234	C	C	.	.	H	α-helix	trans	-57.7	-43.8	173	-74.1	-19.8	0	0	0	112	A500 A506 M507 I508 K550 W551 N552	A500-D504 PolarHBondContact O-N 3.03Å; D504-A506 VanDerWaalsContact C-N 3.33Å; D504-A506 PolarHBondContact O-N 3.02Å; D504-M507 PolarHBondContact O-N 3.4Å; D504-M507 VanDerWaalsContact OD1-CE 3.29Å; D504-M507 WeakPolarHBondContact OD1-CE 3.47Å; D504-I508 WeakPolarHBondContact O-CD1 3.25Å; D504-I508 WeakPolarHBondContact O-CG1 3.42Å; D504-I508 PolarHBondContact O-N 2.92Å; D504-K550 HydrophobicContact CB-CB 4.44Å; D504-K550 HydrophobicContact CB-CG 4.38Å; D504-K550 WeakPolarHBondContact OD1-CA 3.43Å; D504-W551 WeakPolarHBondContact OD1-CB 2.99Å; D504-W551 PolarHBondContact OD1-N 2.98Å; D504-N552 WeakPolarHBondContact OD2-CB 3.22Å; D504-N552 VanDerWaalsContact OD2-CG 3.26Å; D504-N552 PolarHBondContact OD2-N 3.29Å; D504-N552 PolarHBondContact OD2-ND2 3.44Å
505	T	93.5	Very high	84.4	Confident	44 Å²	44	42.7 Å²	42.7	27%	0.27	22%	0.219	S	C	.	.	H	α-helix	trans	-62.6	-41.8	177	-52.9	0	0	0	0	111.1	F486 G501 K502 F503 I508 N509	F486-T505 HydrophobicContact CD1-CG2 3.72Å; F486-T505 HydrophobicContact CD2-CG2 4.41Å; F486-T505 HydrophobicContact CE1-CG2 3.59Å; F486-T505 HydrophobicContact CE2-CG2 4.3Å; F486-T505 HydrophobicContact CG-CG2 4.13Å; F486-T505 HydrophobicContact CZ-CG2 3.89Å; G501-T505 PolarHBondContact O-N 2.87Å; G501-T505 VanDerWaalsContact O-N 3.12Å; G501-T505 PolarHBondContact O-OG1 2.89Å; K502-T505 PolarHBondContact O-N 3.25Å; F503-T505 VanDerWaalsContact C-N 3.29Å; F503-T505 PolarHBondContact O-N 3.45Å; T505-I508 PolarHBondContact O-N 3Å; T505-N509 WeakPolarHBondContact O-CB 3.44Å; T505-N509 PolarHBondContact O-N 3.37Å; T505-N509 PolarHBondContact O-ND2 3.04Å; T505-N509 PolarHBondContact O-OD1 2.96Å
506	A	95	Very high	86.3	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-44.7	175.3	0	0	0	0	0	112.1	M477 F486 P487 L488 K502 F503 D504 I508 N509 F510	M477-A506 HydrophobicContact CB-CB 4.34Å; M477-A506 HydrophobicContact CG-CB 4.26Å; F486-A506 HydrophobicContact CB-CB 3.84Å; P487-A506 WeakPolarHBondContact O-CB 3.3Å; L488-A506 HydrophobicContact CB-CB 4.31Å; L488-A506 HydrophobicContact CD1-CB 3.87Å; K502-A506 PolarHBondContact O-N 3.27Å; F503-A506 WeakPolarHBondContact O-CB 3.29Å; F503-A506 PolarHBondContact O-N 3.33Å; F503-A506 VanDerWaalsContact O-N 3.13Å; D504-A506 VanDerWaalsContact C-N 3.33Å; D504-A506 PolarHBondContact O-N 3.02Å; A506-I508 PolarHBondContact O-N 2.92Å; A506-N509 PolarHBondContact O-N 3.14Å; A506-F510 WeakPolarHBondContact O-CB 3.45Å; A506-F510 PolarHBondContact O-N 2.99Å
507	M	95.9	Very high	88.1	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.1	-37.7	178.5	-68.1	-172.9	-69.6	0	0	112.6	W445 L488 F503 D504 F510 L511 I549 W551 W559	W445-M507 HydrophobicContact CH2-CB 4.38Å; W445-M507 HydrophobicContact CH2-CG 3.91Å; W445-M507 HydrophobicContact CH2-SD 4.36Å; W445-M507 HydrophobicContact CZ2-CB 4.46Å; W445-M507 HydrophobicContact CZ2-CG 3.6Å; W445-M507 HydrophobicContact CZ2-SD 3.55Å; W445-M507 VanDerWaalsContact CZ2-SD 3.55Å; L488-M507 HydrophobicContact CD1-CG 4.05Å; F503-M507 HydrophobicContact CD1-CE 3.53Å; F503-M507 HydrophobicContact CD1-SD 4.17Å; F503-M507 HydrophobicContact CD2-CG 4.49Å; F503-M507 HydrophobicContact CE1-CE 3.41Å; F503-M507 VanDerWaalsContact CE1-CE 3.41Å; F503-M507 HydrophobicContact CE1-CG 4.39Å; F503-M507 HydrophobicContact CE1-SD 3.52Å; F503-M507 VanDerWaalsContact CE1-SD 3.52Å; F503-M507 HydrophobicContact CE2-CG 4.12Å; F503-M507 HydrophobicContact CE2-SD 4.2Å; F503-M507 HydrophobicContact CG-CE 4.26Å; F503-M507 HydrophobicContact CZ-CE 4.04Å; F503-M507 HydrophobicContact CZ-CG 4.07Å; F503-M507 HydrophobicContact CZ-SD 3.53Å; F503-M507 VanDerWaalsContact CZ-SD 3.53Å; F503-M507 WeakPolarHBondContact O-CG 3.44Å; F503-M507 PolarHBondContact O-N 3.37Å; D504-M507 PolarHBondContact O-N 3.4Å; D504-M507 VanDerWaalsContact OD1-CE 3.29Å; D504-M507 WeakPolarHBondContact OD1-CE 3.47Å; M507-F510 PolarHBondContact O-N 3.36Å; M507-L511 WeakPolarHBondContact O-CB 3.45Å; M507-L511 PolarHBondContact O-N 3.5Å; M507-I549 HydrophobicContact CB-CD1 4.39Å; M507-I549 HydrophobicContact CB-CG1 4.29Å; M507-I549 HydrophobicContact CB-CG2 3.97Å; M507-I549 WeakPolarHBondContact CE-O 3.46Å; M507-I549 HydrophobicContact SD-CG1 4.28Å; M507-I549 VanDerWaalsContact SD-O 3.41Å; M507-W551 HydrophobicContact CE-CB 4.18Å; M507-W559 HydrophobicContact SD-CZ2 4.4Å
508	I	95.3	Very high	89.8	Confident	26 Å²	26	22.1 Å²	22.1	13%	0.133	12%	0.123	C	C	.	.	H	α-helix	trans	-63.3	-50.9	174	-63.5	159.1	0	0	0	110	D504 T505 A506 F510 L511 D512 K550	D504-I508 WeakPolarHBondContact O-CD1 3.25Å; D504-I508 WeakPolarHBondContact O-CG1 3.42Å; D504-I508 PolarHBondContact O-N 2.92Å; T505-I508 PolarHBondContact O-N 3Å; A506-I508 PolarHBondContact O-N 2.92Å; I508-F510 PolarHBondContact O-N 3.38Å; I508-L511 PolarHBondContact O-N 2.86Å; I508-D512 PolarHBondContact O-N 3.37Å; I508-K550 HydrophobicContact CD1-CD 4.29Å; I508-K550 VanDerWaalsContact CD1-CE 3.43Å; I508-K550 HydrophobicContact CD1-CG 4.29Å; I508-K550 HydrophobicContact CG1-CG 4.41Å
509	N	95.1	Very high	91.2	Very high	10 Å²	10	22 Å²	22	5%	0.053	12%	0.119	C	C	.	.	H	α-helix	trans	-60.5	-35	179.7	-65.7	-2.9	0	0	0	111.8	H466 M477 T505 A506 C513	H466-N509 VanDerWaalsContact CD2-CG 3.47Å; H466-N509 VanDerWaalsContact NE2-CG 3.32Å; H466-N509 PolarHBondContact NE2-OD1 3.34Å; M477-N509 HydrophobicContact CB-CB 4.34Å; M477-N509 HydrophobicContact CE-CB 4.28Å; T505-N509 WeakPolarHBondContact O-CB 3.44Å; T505-N509 PolarHBondContact O-N 3.37Å; T505-N509 PolarHBondContact O-ND2 3.04Å; T505-N509 PolarHBondContact O-OD1 2.96Å; A506-N509 PolarHBondContact O-N 3.14Å; N509-C513 PolarHBondContact O-N 3.27Å; N509-C513 PolarHBondContact O-SG 3.35Å
510	F	96.5	Very high	92.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.7	-46.2	173.9	180	-87.4	0	0	0	111.6	W445 C448 L452 M477 L488 A506 M507 I508 D512 C513 L514 M566 M570	W445-F510 HydrophobicContact CH2-CD1 4.2Å; W445-F510 AromaticContact CZ3-CD1 3.62Å; W445-F510 HydrophobicContact CZ3-CD1 3.62Å; W445-F510 HydrophobicContact CZ3-CD2 4.4Å; W445-F510 AromaticContact CZ3-CE1 3.8Å; W445-F510 HydrophobicContact CZ3-CE1 3.8Å; W445-F510 AromaticContact CZ3-CG 3.94Å; W445-F510 HydrophobicContact CZ3-CG 3.94Å; W445-F510 HydrophobicContact CZ3-CZ 4.27Å; C448-F510 HydrophobicContact CB-CZ 4.02Å; L452-F510 HydrophobicContact CB-CE2 3.9Å; L452-F510 HydrophobicContact CB-CZ 3.98Å; L452-F510 HydrophobicContact CD2-CD1 4.49Å; L452-F510 HydrophobicContact CD2-CD2 3.89Å; L452-F510 HydrophobicContact CD2-CE1 4.13Å; L452-F510 HydrophobicContact CD2-CE2 3.46Å; L452-F510 VanDerWaalsContact CD2-CE2 3.46Å; L452-F510 HydrophobicContact CD2-CG 4.38Å; L452-F510 HydrophobicContact CD2-CZ 3.61Å; L452-F510 HydrophobicContact CG-CE2 4.34Å; L452-F510 HydrophobicContact CG-CZ 4.43Å; M477-F510 HydrophobicContact CE-CB 4.34Å; M477-F510 HydrophobicContact CG-CB 4.35Å; M477-F510 HydrophobicContact SD-CB 4.21Å; M477-F510 HydrophobicContact SD-CD2 4.06Å; L488-F510 HydrophobicContact CD1-CB 4.36Å; L488-F510 HydrophobicContact CD2-CD2 4.03Å; A506-F510 WeakPolarHBondContact O-CB 3.45Å; A506-F510 PolarHBondContact O-N 2.99Å; M507-F510 PolarHBondContact O-N 3.36Å; I508-F510 PolarHBondContact O-N 3.38Å; F510-D512 VanDerWaalsContact C-N 3.28Å; F510-D512 PolarHBondContact O-N 2.99Å; F510-C513 WeakPolarHBondContact O-CB 3.26Å; F510-C513 PolarHBondContact O-N 2.92Å; F510-L514 PolarHBondContact O-N 3.01Å; F510-M566 HydrophobicContact CD1-SD 3.87Å; F510-M566 HydrophobicContact CE1-CE 4.19Å; F510-M566 HydrophobicContact CE1-SD 3.56Å; F510-M566 VanDerWaalsContact CE1-SD 3.56Å; F510-M570 HydrophobicContact CE1-CE 3.2Å; F510-M570 HydrophobicContact CZ-CE 3.22Å
511	L	95.8	Very high	92.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-34.1	177.9	-164	70.2	0	0	0	111.9	M507 I508 L514 N515 I533 L539 I549 M566	M507-L511 WeakPolarHBondContact O-CB 3.45Å; M507-L511 PolarHBondContact O-N 3.5Å; I508-L511 PolarHBondContact O-N 2.86Å; L511-L514 HydrophobicContact CD1-CD2 4.12Å; L511-L514 WeakPolarHBondContact O-CB 3.49Å; L511-L514 PolarHBondContact O-N 3.19Å; L511-N515 WeakPolarHBondContact O-CB 3.33Å; L511-N515 PolarHBondContact O-N 3.07Å; L511-I533 HydrophobicContact CD1-CD1 4.01Å; L511-I533 HydrophobicContact CD1-CG1 4.16Å; L511-I533 HydrophobicContact CD1-CG2 4.41Å; L511-I533 HydrophobicContact CD2-CG2 3.83Å; L511-I533 HydrophobicContact CG-CD1 4.34Å; L511-I533 HydrophobicContact CG-CG1 4.37Å; L511-I533 HydrophobicContact CG-CG2 3.7Å; L511-L539 HydrophobicContact CD1-CD1 4.32Å; L511-L539 HydrophobicContact CD1-CD2 4.27Å; L511-L539 HydrophobicContact CD1-CG 4.4Å; L511-L539 HydrophobicContact CD2-CG 4.24Å; L511-I549 HydrophobicContact CD1-CD1 4.45Å; L511-M566 HydrophobicContact CD1-CG 4.18Å
512	D	94.5	Very high	92.9	Very high	47 Å²	47	24.5 Å²	24.5	25%	0.251	12%	0.121	S	C	.	.	H	α-helix	trans	-63.4	-40.3	173.5	-68.4	-17	0	0	0	111.7	H466 I508 F510 L514 N515 Q516	H466-D512 IonicContact CE1-OD2 3.99Å; I508-D512 PolarHBondContact O-N 3.37Å; F510-D512 VanDerWaalsContact C-N 3.28Å; F510-D512 PolarHBondContact O-N 2.99Å; D512-L514 VanDerWaalsContact C-N 3.35Å; D512-N515 WeakPolarHBondContact O-CB 3.48Å; D512-N515 PolarHBondContact O-N 3Å; D512-Q516 WeakPolarHBondContact O-CG 3.46Å; D512-Q516 PolarHBondContact O-N 3.49Å; D512-Q516 VanDerWaalsContact O-N 3.13Å
513	C	94.7	Very high	92.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.7	-42.1	173	-64.7	0	0	0	0	111.2	L452 F463 I468 N509 F510 N515 Q516 A517	L452-C513 HydrophobicContact CD2-CB 3.76Å; F463-C513 HydrophobicContact CB-CB 4.39Å; F463-C513 HydrophobicContact CD1-CB 3.71Å; F463-C513 WeakPolarHBondContact CD1-O 3.47Å; F463-C513 HydrophobicContact CD2-CB 4.49Å; F463-C513 HydrophobicContact CE1-CB 4.07Å; F463-C513 WeakPolarHBondContact CE1-O 3.46Å; F463-C513 HydrophobicContact CG-CB 3.95Å; I468-C513 HydrophobicContact CD1-CB 4.3Å; N509-C513 PolarHBondContact O-N 3.27Å; N509-C513 PolarHBondContact O-SG 3.35Å; F510-C513 WeakPolarHBondContact O-CB 3.26Å; F510-C513 PolarHBondContact O-N 2.92Å; C513-N515 VanDerWaalsContact C-N 3.32Å; C513-N515 PolarHBondContact O-N 3.42Å; C513-Q516 PolarHBondContact O-N 3.37Å; C513-A517 PolarHBondContact O-N 2.95Å; C513-A517 VanDerWaalsContact O-N 3.13Å
514	L	94.9	Very high	92	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.2	-38.8	176.4	-173.8	64.6	0	0	0	111.8	L452 F510 L511 D512 Q516 A517 Q518 I533 M566 M570 I573	L452-L514 HydrophobicContact CD1-CD1 3.93Å; L452-L514 HydrophobicContact CD2-CB 4.37Å; F510-L514 PolarHBondContact O-N 3.01Å; L511-L514 HydrophobicContact CD1-CD2 4.12Å; L511-L514 WeakPolarHBondContact O-CB 3.49Å; L511-L514 PolarHBondContact O-N 3.19Å; D512-L514 VanDerWaalsContact C-N 3.35Å; L514-Q516 PolarHBondContact O-N 2.72Å; L514-A517 PolarHBondContact O-N 2.99Å; L514-Q518 WeakPolarHBondContact O-CB 3.45Å; L514-Q518 PolarHBondContact O-N 2.93Å; L514-I533 HydrophobicContact CB-CD1 4.1Å; L514-I533 HydrophobicContact CD2-CD1 3.98Å; L514-I533 HydrophobicContact CG-CD1 3.84Å; L514-M566 HydrophobicContact CD2-CG 3.62Å; L514-M570 HydrophobicContact CD1-CE 4.15Å; L514-M570 HydrophobicContact CD1-CG 3.77Å; L514-M570 HydrophobicContact CD2-CE 4Å; L514-M570 HydrophobicContact CD2-CG 4.25Å; L514-I573 HydrophobicContact CD1-CD1 3.61Å
515	N	94.2	Very high	91.1	Very high	30 Å²	30	30.5 Å²	30.5	16%	0.16	16%	0.156	C	C	.	.	H	α-helix	trans	-60.9	-43	175.6	-167.1	20.6	0	0	0	111.9	L511 D512 C513 A517 Q518 Q519 I533	L511-N515 WeakPolarHBondContact O-CB 3.33Å; L511-N515 PolarHBondContact O-N 3.07Å; D512-N515 WeakPolarHBondContact O-CB 3.48Å; D512-N515 PolarHBondContact O-N 3Å; C513-N515 VanDerWaalsContact C-N 3.32Å; C513-N515 PolarHBondContact O-N 3.42Å; N515-A517 VanDerWaalsContact C-N 3.35Å; N515-A517 PolarHBondContact O-N 2.9Å; N515-Q518 WeakPolarHBondContact O-CB 3.46Å; N515-Q518 PolarHBondContact O-N 3.33Å; N515-Q519 PolarHBondContact ND2-NE2 2.85Å; N515-Q519 WeakPolarHBondContact O-CG 3.16Å; N515-Q519 PolarHBondContact O-N 2.82Å; N515-Q519 PolarHBondContact OD1-NE2 2.73Å; N515-I533 HydrophobicContact CB-CB 4.12Å; N515-I533 HydrophobicContact CB-CD1 4.09Å; N515-I533 HydrophobicContact CB-CG2 3.79Å
516	Q	92.9	Very high	90	Very high	21 Å²	21	38.4 Å²	38.4	10%	0.098	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-43.8	175.1	-66.4	172.2	38.5	0	0	111.6	Y461 F463 Q464 D512 C513 L514 Q518 Q519 I520	Y461-Q516 HydrophobicContact CE1-CB 3.99Å; Y461-Q516 PolarHBondContact OH-OE1 3Å; F463-Q516 HydrophobicContact CD1-CB 4.35Å; Q464-Q516 PolarHBondContact O-NE2 3.2Å; Q464-Q516 VanDerWaalsContact O-NE2 3.1Å; D512-Q516 WeakPolarHBondContact O-CG 3.46Å; D512-Q516 PolarHBondContact O-N 3.49Å; D512-Q516 VanDerWaalsContact O-N 3.13Å; C513-Q516 PolarHBondContact O-N 3.37Å; L514-Q516 PolarHBondContact O-N 2.72Å; Q516-Q518 VanDerWaalsContact C-N 3.34Å; Q516-Q518 PolarHBondContact O-N 2.82Å; Q516-Q519 PolarHBondContact O-N 2.96Å; Q516-I520 WeakPolarHBondContact O-CG1 3.36Å; Q516-I520 PolarHBondContact O-N 2.96Å
517	A	91.8	Very high	89	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-40.8	175.5	0	0	0	0	0	112.2	L452 I455 L459 F463 C513 L514 N515 I520 I521 I573	L452-A517 HydrophobicContact CD1-CB 4.46Å; I455-A517 HydrophobicContact CG2-CB 4.16Å; L459-A517 HydrophobicContact CD1-CB 4.25Å; F463-A517 HydrophobicContact CE1-CB 4.12Å; C513-A517 PolarHBondContact O-N 2.95Å; C513-A517 VanDerWaalsContact O-N 3.13Å; L514-A517 PolarHBondContact O-N 2.99Å; N515-A517 VanDerWaalsContact C-N 3.35Å; N515-A517 PolarHBondContact O-N 2.9Å; A517-I520 PolarHBondContact O-N 3.49Å; A517-I521 WeakPolarHBondContact O-CG1 3.4Å; A517-I521 PolarHBondContact O-N 3Å; A517-I573 HydrophobicContact CB-CD1 4.49Å
518	Q	91	Very high	88.3	Confident	5 Å²	5	48.4 Å²	48.4	2%	0.023	23%	0.23	C	C	.	.	H	α-helix	trans	-59.1	-50.4	176.2	170.3	168.3	-8.2	0	0	111.2	L514 N515 Q516 I520 I521 E522 L529 I533	L514-Q518 WeakPolarHBondContact O-CB 3.45Å; L514-Q518 PolarHBondContact O-N 2.93Å; N515-Q518 WeakPolarHBondContact O-CB 3.46Å; N515-Q518 PolarHBondContact O-N 3.33Å; Q516-Q518 VanDerWaalsContact C-N 3.34Å; Q516-Q518 PolarHBondContact O-N 2.82Å; Q518-I520 VanDerWaalsContact C-N 3.32Å; Q518-I520 PolarHBondContact O-N 3.35Å; Q518-I521 PolarHBondContact O-N 3.05Å; Q518-E522 HydrophobicContact CG-CG 4.15Å; Q518-E522 WeakPolarHBondContact CG-OE1 3.16Å; Q518-E522 PolarHBondContact NE2-OE1 2.91Å; Q518-E522 WeakPolarHBondContact O-CG 3.42Å; Q518-E522 PolarHBondContact O-N 3.32Å; Q518-L529 HydrophobicContact CB-CD2 4.11Å; Q518-L529 HydrophobicContact CG-CB 4.46Å; Q518-L529 HydrophobicContact CG-CD1 3.97Å; Q518-L529 HydrophobicContact CG-CD2 3.76Å; Q518-L529 HydrophobicContact CG-CG 4.27Å; Q518-I533 VanDerWaalsContact OE1-CD1 3.32Å
519	Q	90.2	Very high	87.7	Confident	108 Å²	108	47.6 Å²	47.6	51%	0.505	23%	0.226	S	C	.	.	H	α-helix	trans	-58.4	-42.1	-179.8	-70.7	170	17.6	0	0	112.7	N515 Q516 I521 H523	N515-Q519 PolarHBondContact ND2-NE2 2.85Å; N515-Q519 WeakPolarHBondContact O-CG 3.16Å; N515-Q519 PolarHBondContact O-N 2.82Å; N515-Q519 PolarHBondContact OD1-NE2 2.73Å; Q516-Q519 PolarHBondContact O-N 2.96Å; Q519-I521 VanDerWaalsContact C-N 3.29Å; Q519-I521 PolarHBondContact O-N 3.38Å; Q519-H523 WeakPolarHBondContact O-CB 3.48Å; Q519-H523 PolarHBondContact O-N 2.71Å
520	I	88.3	Confident	87.3	Confident	48 Å²	48	49 Å²	49	25%	0.246	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-40.3	176.9	-65.9	165.7	0	0	0	111	L459 Y461 Q516 A517 Q518 T524	L459-I520 HydrophobicContact CD1-CG2 4.44Å; L459-I520 HydrophobicContact CD2-CG2 4.17Å; Y461-I520 HydrophobicContact CD1-CD1 3.67Å; Y461-I520 HydrophobicContact CD2-CD1 3.58Å; Y461-I520 HydrophobicContact CE1-CD1 3.9Å; Y461-I520 HydrophobicContact CE2-CD1 3.82Å; Y461-I520 HydrophobicContact CG-CD1 3.5Å; Y461-I520 VanDerWaalsContact CG-CD1 3.5Å; Q516-I520 WeakPolarHBondContact O-CG1 3.36Å; Q516-I520 PolarHBondContact O-N 2.96Å; A517-I520 PolarHBondContact O-N 3.49Å; Q518-I520 VanDerWaalsContact C-N 3.32Å; Q518-I520 PolarHBondContact O-N 3.35Å; I520-T524 WeakPolarHBondContact O-CB 3.28Å; I520-T524 PolarHBondContact O-N 3.15Å; I520-T524 VanDerWaalsContact O-N 3.16Å; I520-T524 PolarHBondContact O-OG1 3.39Å
521	I	87.6	Confident	87.1	Confident	5 Å²	5	50 Å²	50	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-74.6	-43.2	-178.3	-72	168	0	0	0	111.4	L459 A517 Q518 Q519 H523 T524 S525 I573 A576 L577	L459-I521 HydrophobicContact CD1-CD1 4.31Å; L459-I521 HydrophobicContact CD1-CG1 4.42Å; L459-I521 HydrophobicContact CD2-CG1 4.32Å; A517-I521 WeakPolarHBondContact O-CG1 3.4Å; A517-I521 PolarHBondContact O-N 3Å; Q518-I521 PolarHBondContact O-N 3.05Å; Q519-I521 VanDerWaalsContact C-N 3.29Å; Q519-I521 PolarHBondContact O-N 3.38Å; I521-H523 VanDerWaalsContact C-N 3.31Å; I521-H523 PolarHBondContact O-N 3.15Å; I521-T524 PolarHBondContact O-N 2.8Å; I521-S525 WeakPolarHBondContact O-CB 3.5Å; I521-S525 PolarHBondContact O-N 3.47Å; I521-I573 HydrophobicContact CD1-CB 3.82Å; I521-I573 HydrophobicContact CD1-CD1 4.37Å; I521-I573 HydrophobicContact CD1-CG1 3.68Å; I521-I573 HydrophobicContact CD1-CG2 3.29Å; I521-A576 HydrophobicContact CG2-CB 3.55Å; I521-L577 HydrophobicContact CD1-CG 4.39Å
522	E	87.4	Confident	86.8	Confident	55 Å²	55	56.8 Å²	56.8	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-61.3	-41.4	177.2	-69.7	-177.4	166.1	0	0	110.9	Q518 T524 Y526 M527 L529	Q518-E522 HydrophobicContact CG-CG 4.15Å; Q518-E522 WeakPolarHBondContact CG-OE1 3.16Å; Q518-E522 PolarHBondContact NE2-OE1 2.91Å; Q518-E522 WeakPolarHBondContact O-CG 3.42Å; Q518-E522 PolarHBondContact O-N 3.32Å; E522-T524 VanDerWaalsContact C-N 3.3Å; E522-T524 PolarHBondContact O-N 3.44Å; E522-Y526 PolarHBondContact O-N 3.28Å; E522-M527 WeakPolarHBondContact CG-O 3.4Å; E522-L529 HydrophobicContact CG-CD1 3.7Å; E522-L529 PolarHBondContact OE1-N 2.92Å; E522-L529 VanDerWaalsContact OE1-N 3.1Å
523	H	84.6	Confident	86.7	Confident	165 Å²	165	55.4 Å²	55.4	76%	0.764	26%	0.258	S	S	*	.	H	α-helix	trans	-63.4	-33.9	173.2	-173.6	-66.6	0	0	0	112.6	Q519 I521	Q519-H523 WeakPolarHBondContact O-CB 3.48Å; Q519-H523 PolarHBondContact O-N 2.71Å; I521-H523 VanDerWaalsContact C-N 3.31Å; I521-H523 PolarHBondContact O-N 3.15Å
524	T	79.5	Confident	86.4	Confident	51 Å²	51	58.8 Å²	58.8	31%	0.313	27%	0.273	S	S	.	.	H	α-helix	trans	-85.7	-38.1	-175.8	-57.6	0	0	0	0	113.1	I520 I521 E522 K580	I520-T524 WeakPolarHBondContact O-CB 3.28Å; I520-T524 PolarHBondContact O-N 3.15Å; I520-T524 VanDerWaalsContact O-N 3.16Å; I520-T524 PolarHBondContact O-OG1 3.39Å; I521-T524 PolarHBondContact O-N 2.8Å; E522-T524 VanDerWaalsContact C-N 3.3Å; E522-T524 PolarHBondContact O-N 3.44Å; T524-K580 HydrophobicContact CG2-CD 4.01Å
525	S	74.6	Confident	86	Confident	25 Å²	25	65 Å²	65	18%	0.175	31%	0.306	C	S	.	.	H	α-helix	trans	-105.6	-7	-165.2	-64.1	0	0	0	0	113.7	I521 M527	I521-S525 WeakPolarHBondContact O-CB 3.5Å; I521-S525 PolarHBondContact O-N 3.47Å; S525-M527 PolarHBondContact O-N 3.35Å
526	Y	70.7	Confident	85.6	Confident	211 Å²	211	70.9 Å²	70.9	83%	0.827	33%	0.33	S	S	*	.			trans	54.7	10.1	-171	-54.7	-83.7	0	0	0	114.4	E522	E522-Y526 PolarHBondContact O-N 3.28Å
527	M	74.6	Confident	85.4	Confident	75 Å²	75	69.9 Å²	69.9	37%	0.369	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-98.2	121.3	179.4	178.8	-177	-70	0	0	108	E522 S525 W572	E522-M527 WeakPolarHBondContact CG-O 3.4Å; S525-M527 PolarHBondContact O-N 3.35Å; M527-W572 HydrophobicContact CG-CE3 4.49Å; M527-W572 HydrophobicContact CG-CZ3 4.45Å; M527-W572 HydrophobicContact SD-CE3 3.66Å; M527-W572 HydrophobicContact SD-CZ3 3.8Å
528	Q	79.4	Confident	85.5	Confident	135 Å²	135	74.3 Å²	74.3	63%	0.631	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-81.8	134.2	172.5	-64.7	-174.6	9.3	0	0	109.4
529	L	83.9	Confident	85.7	Confident	9 Å²	9	74 Å²	74	5%	0.047	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-71	148.2	173.9	-79.6	68	0	0	0	109.6	Q518 E522 F531 N569 W572 I573	Q518-L529 HydrophobicContact CB-CD2 4.11Å; Q518-L529 HydrophobicContact CG-CB 4.46Å; Q518-L529 HydrophobicContact CG-CD1 3.97Å; Q518-L529 HydrophobicContact CG-CD2 3.76Å; Q518-L529 HydrophobicContact CG-CG 4.27Å; E522-L529 HydrophobicContact CG-CD1 3.7Å; E522-L529 PolarHBondContact OE1-N 2.92Å; E522-L529 VanDerWaalsContact OE1-N 3.1Å; L529-F531 VanDerWaalsContact C-N 3.33Å; L529-F531 PolarHBondContact O-N 2.67Å; L529-N569 HydrophobicContact CD2-CB 3.96Å; L529-W572 HydrophobicContact CG-CB 4.33Å; L529-I573 HydrophobicContact CD2-CD1 4.04Å; L529-I573 HydrophobicContact CD2-CG1 3.76Å
530	P	86.1	Confident	85.9	Confident	38 Å²	38	70.9 Å²	70.9	25%	0.247	33%	0.329	C	S	.	.	S	Bend	trans	-62.6	-39	-174.8	24.3	-34.6	0	0	0	112.6	P542 I568 W572	P530-P542 VanDerWaalsContact O-CD 3.31Å; P530-P542 WeakPolarHBondContact O-CD 3.3Å; P530-I568 HydrophobicContact CG-CG2 4.23Å; P530-W572 HydrophobicContact CG-CD2 4.36Å; P530-W572 HydrophobicContact CG-CG 4.2Å
531	F	91.6	Very high	86	Confident	23 Å²	23	69.7 Å²	69.7	10%	0.101	32%	0.323	C	S	.	.	S	Bend	trans	-106.8	123.1	-176.7	-52	-69.7	0	0	0	110.8	L529 L539 Q540 D541 M565 I568 N569	L529-F531 VanDerWaalsContact C-N 3.33Å; L529-F531 PolarHBondContact O-N 2.67Å; F531-L539 HydrophobicContact CB-CD2 4.44Å; F531-Q540 WeakPolarHBondContact CA-O 3.32Å; F531-D541 WeakPolarHBondContact CE1-OD1 3.18Å; F531-M565 HydrophobicContact CB-CB 4.31Å; F531-M565 HydrophobicContact CD1-CB 4.15Å; F531-M565 HydrophobicContact CD1-CE 4.29Å; F531-M565 HydrophobicContact CD1-CG 3.74Å; F531-M565 HydrophobicContact CD1-SD 3.89Å; F531-M565 HydrophobicContact CD2-CB 3.88Å; F531-M565 HydrophobicContact CD2-CG 4.19Å; F531-M565 WeakPolarHBondContact CD2-O 3.45Å; F531-M565 HydrophobicContact CE1-CE 4.14Å; F531-M565 HydrophobicContact CE1-CG 3.78Å; F531-M565 HydrophobicContact CE1-SD 4.22Å; F531-M565 HydrophobicContact CE2-CB 4.26Å; F531-M565 HydrophobicContact CE2-CG 4.22Å; F531-M565 HydrophobicContact CG-CB 3.83Å; F531-M565 HydrophobicContact CG-CG 3.96Å; F531-M565 HydrophobicContact CG-SD 4.4Å; F531-M565 HydrophobicContact CZ-CG 4.04Å; F531-I568 HydrophobicContact CD2-CB 4.22Å; F531-I568 HydrophobicContact CD2-CG2 4.21Å; F531-I568 HydrophobicContact CE2-CB 3.73Å; F531-I568 HydrophobicContact CE2-CD1 3.8Å; F531-I568 HydrophobicContact CE2-CG1 4.38Å; F531-I568 HydrophobicContact CE2-CG2 3.6Å; F531-I568 HydrophobicContact CZ-CD1 4.2Å; F531-N569 WeakPolarHBondContact CB-OD1 3.5Å; F531-N569 WeakPolarHBondContact CD2-OD1 3.43Å; F531-N569 PolarHBondContact N-OD1 3.17Å; F531-N569 PolarHBondContact O-ND2 3.47Å
532	R	90.7	Very high	86	Confident	141 Å²	141	73.9 Å²	73.9	53%	0.532	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	126.3	-179.8	-67.8	-177.3	178.8	175.2	-0.1	110.6	K534 Q540	R532-K534 PolarHBondContact O-N 3.24Å; R532-Q540 HydrophobicContact CB-CB 4.39Å; R532-Q540 PolarHBondContact N-O 3.06Å; R532-Q540 PolarHBondContact O-N 3.03Å
533	I	91.5	Very high	86.1	Confident	18 Å²	18	77.7 Å²	77.7	9%	0.092	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	120.5	173.3	-62	170.2	0	0	0	108.7	L511 L514 N515 Q518 L539	L511-I533 HydrophobicContact CD1-CD1 4.01Å; L511-I533 HydrophobicContact CD1-CG1 4.16Å; L511-I533 HydrophobicContact CD1-CG2 4.41Å; L511-I533 HydrophobicContact CD2-CG2 3.83Å; L511-I533 HydrophobicContact CG-CD1 4.34Å; L511-I533 HydrophobicContact CG-CG1 4.37Å; L511-I533 HydrophobicContact CG-CG2 3.7Å; L514-I533 HydrophobicContact CB-CD1 4.1Å; L514-I533 HydrophobicContact CD2-CD1 3.98Å; L514-I533 HydrophobicContact CG-CD1 3.84Å; N515-I533 HydrophobicContact CB-CB 4.12Å; N515-I533 HydrophobicContact CB-CD1 4.09Å; N515-I533 HydrophobicContact CB-CG2 3.79Å; Q518-I533 VanDerWaalsContact OE1-CD1 3.32Å; I533-L539 HydrophobicContact CB-CD2 4.5Å; I533-L539 HydrophobicContact CG1-CD2 3.62Å
534	K	90.1	Very high	86.3	Confident	72 Å²	72	71.3 Å²	71.3	31%	0.313	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	164.5	174.6	-69.9	-171.2	176	177.4	0	110.7	R532 K538 Q540 I546	R532-K534 PolarHBondContact O-N 3.24Å; K534-K538 HydrophobicContact CB-CB 4.08Å; K534-K538 PolarHBondContact N-O 2.93Å; K534-K538 PolarHBondContact O-N 3.26Å; K534-Q540 HydrophobicContact CD-CB 4.34Å; K534-Q540 VanDerWaalsContact CE-CD 3.45Å; K534-I546 HydrophobicContact CD-CD1 4.3Å
535	D	86	Confident	86.9	Confident	129 Å²	129	74.3 Å²	74.3	69%	0.69	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	154.6	178.8	-56.8	-35.3	0	0	0	113.2	G537	D535-G537 PolarHBondContact O-N 2.93Å
536	K	85	Confident	87.8	Confident	154 Å²	154	77 Å²	77	67%	0.67	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	32.3	175.8	-53.2	-179.6	178.6	178.7	0	114.3	K550	K536-K550 WeakPolarHBondContact O-CE 3.48Å
537	G	89.1	Confident	89	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	35.3	173.5	0	0	0	0	0	113.9	D535 I549	D535-G537 PolarHBondContact O-N 2.93Å; G537-I549 WeakPolarHBondContact O-CG2 3.02Å; G537-I549 PolarHBondContact O-N 2.84Å
538	K	94.1	Very high	89.9	Confident	93 Å²	93	66.4 Å²	66.4	40%	0.404	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143.2	-176.9	-67.2	-177.8	179.7	-171.5	0	111	K534 I546 Y547	K534-K538 HydrophobicContact CB-CB 4.08Å; K534-K538 PolarHBondContact N-O 2.93Å; K534-K538 PolarHBondContact O-N 3.26Å; K538-I546 HydrophobicContact CB-CG2 3.82Å; K538-I546 HydrophobicContact CD-CG2 3.91Å; K538-I546 HydrophobicContact CG-CG2 4.18Å; K538-Y547 CarbonylContact C-O 3.57Å; K538-Y547 WeakPolarHBondContact CA-O 3.23Å
539	L	94.5	Very high	90.6	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136	177.2	-76.5	158	0	0	0	109.3	L511 F531 I533 I546 Y547 A562 M565 M566	L511-L539 HydrophobicContact CD1-CD1 4.32Å; L511-L539 HydrophobicContact CD1-CD2 4.27Å; L511-L539 HydrophobicContact CD1-CG 4.4Å; L511-L539 HydrophobicContact CD2-CG 4.24Å; F531-L539 HydrophobicContact CB-CD2 4.44Å; I533-L539 HydrophobicContact CB-CD2 4.5Å; I533-L539 HydrophobicContact CG1-CD2 3.62Å; L539-I546 CarbonylContact O-C 3.53Å; L539-I546 WeakPolarHBondContact O-CA 3.49Å; L539-Y547 PolarHBondContact N-O 3.36Å; L539-Y547 PolarHBondContact O-N 3.49Å; L539-A562 HydrophobicContact CD1-CB 4.31Å; L539-A562 WeakPolarHBondContact CD1-O 3.31Å; L539-M565 HydrophobicContact CB-SD 4.24Å; L539-M565 HydrophobicContact CD1-CB 4.2Å; L539-M566 HydrophobicContact CD1-CB 4.16Å
540	Q	93.9	Very high	91.1	Very high	42 Å²	42	62.8 Å²	62.8	20%	0.196	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126	176.9	-176.4	174.2	38	0	0	111	F531 R532 K534 G544 Q545	F531-Q540 WeakPolarHBondContact CA-O 3.32Å; R532-Q540 HydrophobicContact CB-CB 4.39Å; R532-Q540 PolarHBondContact N-O 3.06Å; R532-Q540 PolarHBondContact O-N 3.03Å; K534-Q540 HydrophobicContact CD-CB 4.34Å; K534-Q540 VanDerWaalsContact CE-CD 3.45Å; Q540-G544 PolarHBondContact NE2-O 2.97Å; Q540-Q545 CarbonylContact C-O 3.6Å; Q540-Q545 VanDerWaalsContact CA-O 3.3Å; Q540-Q545 WeakPolarHBondContact CA-O 3.46Å
541	D	91.7	Very high	91.3	Very high	23 Å²	23	63.1 Å²	63.1	12%	0.123	31%	0.31	C	S	.	.			trans	-68.7	152.5	170.8	-145	-27.6	0	0	0	110.6	F531 D543 G544 Q545 Y547 K561 M565	F531-D541 WeakPolarHBondContact CE1-OD1 3.18Å; D541-D543 PolarHBondContact O-N 3.44Å; D541-D543 VanDerWaalsContact O-N 3.12Å; D541-G544 WeakPolarHBondContact O-CA 3.27Å; D541-G544 PolarHBondContact O-N 3Å; D541-Q545 HydrophobicContact CB-CB 4.26Å; D541-Q545 PolarHBondContact N-O 3Å; D541-Y547 HydrophobicContact CB-CE2 4.32Å; D541-K561 IonicContact OD2-NZ 2.97Å; D541-K561 PolarHBondContact OD2-NZ 3.02Å; D541-M565 HydrophobicContact CB-CE 3.85Å; D541-M565 WeakPolarHBondContact OD2-CE 3.45Å
542	P	87.8	Confident	91.1	Very high	92 Å²	92	65.6 Å²	65.6	60%	0.597	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.6	-35.5	166.1	-36.3	31.2	0	0	0	115.4	P530 G544	P530-P542 VanDerWaalsContact O-CD 3.31Å; P530-P542 WeakPolarHBondContact O-CD 3.3Å; P542-G544 PolarHBondContact O-N 3.15Å; P542-G544 VanDerWaalsContact O-N 3.16Å
543	D	89.1	Confident	90.8	Very high	135 Å²	135	63.4 Å²	63.4	72%	0.722	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-0.5	176.5	-59.7	-35.3	0	0	0	113.8	D541 Q545	D541-D543 PolarHBondContact O-N 3.44Å; D541-D543 VanDerWaalsContact O-N 3.12Å; D543-Q545 VanDerWaalsContact C-N 3.32Å; D543-Q545 PolarHBondContact O-N 2.91Å
544	G	88.4	Confident	90.8	Very high	32 Å²	32	64.3 Å²	64.3	33%	0.33	35%	0.351	S	S	.	.	S	Bend	trans	87.2	-7.6	179.6	0	0	0	0	0	114.9	Q540 D541 P542	Q540-G544 PolarHBondContact NE2-O 2.97Å; D541-G544 WeakPolarHBondContact O-CA 3.27Å; D541-G544 PolarHBondContact O-N 3Å; P542-G544 PolarHBondContact O-N 3.15Å; P542-G544 VanDerWaalsContact O-N 3.16Å
545	Q	92.7	Very high	90.9	Very high	114 Å²	114	62.9 Å²	62.9	53%	0.533	35%	0.35	S	S	.	.			trans	-65	142.6	178.5	-65.1	-60.5	-22.2	0	0	112.2	Q540 D541 D543 Y547	Q540-Q545 CarbonylContact C-O 3.6Å; Q540-Q545 VanDerWaalsContact CA-O 3.3Å; Q540-Q545 WeakPolarHBondContact CA-O 3.46Å; D541-Q545 HydrophobicContact CB-CB 4.26Å; D541-Q545 PolarHBondContact N-O 3Å; D543-Q545 VanDerWaalsContact C-N 3.32Å; D543-Q545 PolarHBondContact O-N 2.91Å; Q545-Y547 HydrophobicContact CB-CE2 3.79Å
546	I	93.4	Very high	91.1	Very high	82 Å²	82	59 Å²	59	42%	0.421	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.3	-173.5	-55.7	175.9	0	0	0	110.6	K534 K538 L539	K534-I546 HydrophobicContact CD-CD1 4.3Å; K538-I546 HydrophobicContact CB-CG2 3.82Å; K538-I546 HydrophobicContact CD-CG2 3.91Å; K538-I546 HydrophobicContact CG-CG2 4.18Å; L539-I546 CarbonylContact O-C 3.53Å; L539-I546 WeakPolarHBondContact O-CA 3.49Å
547	Y	95.3	Very high	91.6	Very high	34 Å²	34	56.5 Å²	56.5	13%	0.133	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.6	177.5	-59.9	-82	0	0	0	110.6	K538 L539 D541 Q545 N558 K561 M565	K538-Y547 CarbonylContact C-O 3.57Å; K538-Y547 WeakPolarHBondContact CA-O 3.23Å; L539-Y547 PolarHBondContact N-O 3.36Å; L539-Y547 PolarHBondContact O-N 3.49Å; D541-Y547 HydrophobicContact CB-CE2 4.32Å; Q545-Y547 HydrophobicContact CB-CE2 3.79Å; Y547-N558 HydrophobicContact CD1-CB 4.2Å; Y547-N558 WeakPolarHBondContact CE1-OD1 3.28Å; Y547-K561 HydrophobicContact CD1-CB 4.47Å; Y547-K561 HydrophobicContact CD1-CD 4.25Å; Y547-K561 HydrophobicContact CD2-CD 4.41Å; Y547-K561 HydrophobicContact CE1-CD 3.73Å; Y547-K561 HydrophobicContact CE2-CD 3.89Å; Y547-K561 PolarHBondContact OH-NZ 3.39Å; Y547-M565 HydrophobicContact CD2-CE 3.3Å; Y547-M565 HydrophobicContact CD2-SD 3.77Å; Y547-M565 HydrophobicContact CE2-CE 3.41Å; Y547-M565 VanDerWaalsContact CE2-CE 3.41Å; Y547-M565 HydrophobicContact CE2-SD 4.46Å; Y547-M565 HydrophobicContact CG-CE 4.29Å; Y547-M565 HydrophobicContact CG-SD 4.47Å
548	S	94.3	Very high	91.8	Very high	28 Å²	28	59.8 Å²	59.8	20%	0.196	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.5	178.4	176.4	0	0	0	0	110.2	K550 N554 A562	S548-K550 VanDerWaalsContact C-N 3.26Å; S548-K550 WeakPolarHBondContact OG-CB 3.42Å; S548-K550 PolarHBondContact OG-N 3.21Å; S548-N554 PolarHBondContact O-ND2 3.49Å; S548-A562 WeakPolarHBondContact O-CB 3.19Å
549	I	94.3	Very high	91.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.317	C	S	.	.			trans	-79.3	-12.9	171.4	-155.4	167	0	0	0	112.5	W445 M507 L511 G537 W559 L563 M566	W445-I549 HydrophobicContact CH2-CD1 3.86Å; W445-I549 HydrophobicContact CZ2-CD1 4.31Å; M507-I549 HydrophobicContact CB-CD1 4.39Å; M507-I549 HydrophobicContact CB-CG1 4.29Å; M507-I549 HydrophobicContact CB-CG2 3.97Å; M507-I549 WeakPolarHBondContact CE-O 3.46Å; M507-I549 HydrophobicContact SD-CG1 4.28Å; M507-I549 VanDerWaalsContact SD-O 3.41Å; L511-I549 HydrophobicContact CD1-CD1 4.45Å; G537-I549 WeakPolarHBondContact O-CG2 3.02Å; G537-I549 PolarHBondContact O-N 2.84Å; I549-W559 PolarHBondContact O-NE1 3.18Å; I549-L563 HydrophobicContact CD1-CD2 3.99Å; I549-L563 HydrophobicContact CG1-CD2 3.77Å; I549-M566 HydrophobicContact CD1-SD 3.65Å
550	K	93.1	Very high	92	Very high	69 Å²	69	55.4 Å²	55.4	30%	0.3	32%	0.317	S	S	.	.			trans	-64.2	137.4	176.4	-55.9	-176.4	-172.3	-162.6	0	110.1	D504 I508 K536 S548 N554	D504-K550 HydrophobicContact CB-CB 4.44Å; D504-K550 HydrophobicContact CB-CG 4.38Å; D504-K550 WeakPolarHBondContact OD1-CA 3.43Å; I508-K550 HydrophobicContact CD1-CD 4.29Å; I508-K550 VanDerWaalsContact CD1-CE 3.43Å; I508-K550 HydrophobicContact CD1-CG 4.29Å; I508-K550 HydrophobicContact CG1-CG 4.41Å; K536-K550 WeakPolarHBondContact O-CE 3.48Å; S548-K550 VanDerWaalsContact C-N 3.26Å; S548-K550 WeakPolarHBondContact OG-CB 3.42Å; S548-K550 PolarHBondContact OG-N 3.21Å; K550-N554 WeakPolarHBondContact O-CB 3.41Å; K550-N554 PolarHBondContact O-ND2 2.94Å
551	W	90.6	Very high	92	Very high	44 Å²	44	57 Å²	57	17%	0.167	32%	0.324	C	S	.	.			trans	-78.5	-44.5	172.5	173.8	-106.6	0	0	0	111	R430 W438 D504 M507 G553 N554 E556 W559	R430-W551 HydrophobicContact CG-CH2 4.44Å; R430-W551 HydrophobicContact CG-CZ3 4.3Å; W438-W551 HydrophobicContact CH2-CD2 4.05Å; W438-W551 HydrophobicContact CH2-CE3 4.19Å; W438-W551 HydrophobicContact CH2-CH2 4.4Å; W438-W551 HydrophobicContact CH2-CZ2 4.28Å; W438-W551 HydrophobicContact CH2-CZ3 4.36Å; W438-W551 HydrophobicContact CZ2-CD2 4.44Å; W438-W551 HydrophobicContact CZ2-CH2 4.12Å; W438-W551 AromaticContact CZ2-CZ2 3.85Å; W438-W551 HydrophobicContact CZ2-CZ2 3.85Å; D504-W551 WeakPolarHBondContact OD1-CB 2.99Å; D504-W551 PolarHBondContact OD1-N 2.98Å; M507-W551 HydrophobicContact CE-CB 4.18Å; W551-G553 PolarHBondContact O-N 3.47Å; W551-N554 PolarHBondContact O-N 2.76Å; W551-E556 HydrophobicContact CH2-CG 3.83Å; W551-E556 HydrophobicContact CZ3-CG 4.1Å; W551-W559 AromaticContact CE3-CD2 3.61Å; W551-W559 HydrophobicContact CE3-CD2 3.61Å; W551-W559 AromaticContact CE3-CE2 3.88Å; W551-W559 AromaticContact CE3-CE3 3.82Å; W551-W559 HydrophobicContact CE3-CE3 3.82Å; W551-W559 AromaticContact CE3-CG 3.95Å; W551-W559 HydrophobicContact CE3-CG 3.95Å; W551-W559 HydrophobicContact CE3-CH2 4.44Å; W551-W559 HydrophobicContact CE3-CZ2 4.28Å; W551-W559 HydrophobicContact CE3-CZ3 4.24Å; W551-W559 HydrophobicContact CZ3-CD2 4.02Å; W551-W559 AromaticContact CZ3-CE3 3.76Å; W551-W559 HydrophobicContact CZ3-CE3 3.76Å; W551-W559 HydrophobicContact CZ3-CG 4.48Å; W551-W559 HydrophobicContact CZ3-CZ3 4.14Å
552	N	87.7	Confident	92.2	Very high	75 Å²	75	56 Å²	56	40%	0.401	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	129.2	-177	-67.6	-45	0	0	0	112	A500 G501 D504 N554	A500-N552 VanDerWaalsContact C-ND2 3.33Å; A500-N552 WeakPolarHBondContact CB-ND2 3.37Å; A500-N552 VanDerWaalsContact CB-OD1 3.3Å; A500-N552 WeakPolarHBondContact CB-OD1 3.46Å; A500-N552 PolarHBondContact O-ND2 2.96Å; G501-N552 PolarHBondContact N-ND2 2.86Å; D504-N552 WeakPolarHBondContact OD2-CB 3.22Å; D504-N552 VanDerWaalsContact OD2-CG 3.26Å; D504-N552 PolarHBondContact OD2-N 3.29Å; D504-N552 PolarHBondContact OD2-ND2 3.44Å; N552-N554 PolarHBondContact O-N 2.85Å
553	G	85.1	Confident	92.7	Very high	95 Å²	95	51.6 Å²	51.6	98%	0.979	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	12.6	179.2	0	0	0	0	0	114.3	W551	W551-G553 PolarHBondContact O-N 3.47Å
554	N	90.1	Very high	93	Very high	38 Å²	38	47.3 Å²	47.3	20%	0.203	27%	0.265	C	S	.	.			trans	-111.9	153.5	179.7	-158.5	2.3	0	0	0	111	S548 K550 W551 N552 N558	S548-N554 PolarHBondContact O-ND2 3.49Å; K550-N554 WeakPolarHBondContact O-CB 3.41Å; K550-N554 PolarHBondContact O-ND2 2.94Å; W551-N554 PolarHBondContact O-N 2.76Å; N552-N554 PolarHBondContact O-N 2.85Å; N554-N558 WeakPolarHBondContact OD1-CB 3.45Å
555	S	92.3	Very high	93.3	Very high	42 Å²	42	46 Å²	46	29%	0.294	25%	0.25	S	C	.	.			trans	-78.3	152.7	171.5	86.6	0	0	0	0	110.3	E557 N558 W559	S555-E557 VanDerWaalsContact CB-OE2 3.3Å; S555-E557 WeakPolarHBondContact CB-OE2 3.45Å; S555-E557 PolarHBondContact O-N 3.36Å; S555-E557 PolarHBondContact OG-OE2 2.69Å; S555-N558 PolarHBondContact O-N 3.22Å; S555-N558 WeakPolarHBondContact OG-CB 3.33Å; S555-N558 PolarHBondContact OG-N 3.36Å; S555-N558 VanDerWaalsContact OG-N 3.15Å; S555-W559 VanDerWaalsContact O-CB 3.32Å; S555-W559 WeakPolarHBondContact O-CB 3.43Å; S555-W559 PolarHBondContact O-N 3.09Å
556	E	91.9	Very high	93.4	Very high	47 Å²	47	40.6 Å²	40.6	22%	0.22	23%	0.225	C	C	.	.	H	α-helix	trans	-60	-35	177.4	-65	-160.1	162.4	0	0	111.6	R430 P432 W551 T560	R430-E556 HydrophobicContact CG-CB 4.48Å; R430-E556 HydrophobicContact CG-CG 4.37Å; R430-E556 IonicContact CZ-OE1 3.56Å; R430-E556 IonicContact NE-OE1 3.52Å; R430-E556 PolarHBondContact NE-OE1 3.15Å; R430-E556 IonicContact NE-OE2 3.08Å; R430-E556 IonicContact NH2-OE1 2.83Å; P432-E556 HydrophobicContact CG-CB 4.49Å; W551-E556 HydrophobicContact CH2-CG 3.83Å; W551-E556 HydrophobicContact CZ3-CG 4.1Å; E556-T560 VanDerWaalsContact O-CB 3.23Å; E556-T560 WeakPolarHBondContact O-CB 3.32Å; E556-T560 PolarHBondContact O-N 3.13Å; E556-T560 PolarHBondContact O-OG1 3.19Å
557	E	93.8	Very high	93.6	Very high	102 Å²	102	36.7 Å²	36.7	48%	0.477	21%	0.205	S	C	.	.	H	α-helix	trans	-69.3	-47	178	-49.3	92	179.1	0	0	112.1	L431 S555 W559 T560 K561	L431-E557 HydrophobicContact CD2-CB 4.22Å; L431-E557 HydrophobicContact CD2-CG 4.01Å; S555-E557 VanDerWaalsContact CB-OE2 3.3Å; S555-E557 WeakPolarHBondContact CB-OE2 3.45Å; S555-E557 PolarHBondContact O-N 3.36Å; S555-E557 PolarHBondContact OG-OE2 2.69Å; E557-W559 VanDerWaalsContact C-N 3.35Å; E557-W559 PolarHBondContact O-N 3.48Å; E557-T560 PolarHBondContact O-N 3.3Å; E557-K561 WeakPolarHBondContact O-CB 3.37Å; E557-K561 PolarHBondContact O-N 3.3Å
558	N	94.9	Very high	93.5	Very high	69 Å²	69	37.5 Å²	37.5	37%	0.369	21%	0.211	S	C	.	.	H	α-helix	trans	-66.5	-38.6	-179.2	-78.2	-22.2	0	0	0	111.7	Y547 N554 S555 K561 A562	Y547-N558 HydrophobicContact CD1-CB 4.2Å; Y547-N558 WeakPolarHBondContact CE1-OD1 3.28Å; N554-N558 WeakPolarHBondContact OD1-CB 3.45Å; S555-N558 PolarHBondContact O-N 3.22Å; S555-N558 WeakPolarHBondContact OG-CB 3.33Å; S555-N558 PolarHBondContact OG-N 3.36Å; S555-N558 VanDerWaalsContact OG-N 3.15Å; N558-K561 PolarHBondContact O-N 2.94Å; N558-A562 PolarHBondContact O-N 3.17Å
559	W	95.6	Very high	93.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-49.3	174.4	-178.2	70.3	0	0	0	111.5	R430 W438 I441 F503 M507 I549 W551 S555 E557 K561 A562 L563	R430-W559 HydrophobicContact CG-CE3 4.29Å; R430-W559 HydrophobicContact CG-CZ3 3.95Å; W438-W559 HydrophobicContact CH2-CH2 4.1Å; W438-W559 AromaticContact CZ3-CH2 3.97Å; W438-W559 HydrophobicContact CZ3-CH2 3.97Å; W438-W559 HydrophobicContact CZ3-CZ2 4.46Å; I441-W559 HydrophobicContact CD1-CH2 4.47Å; I441-W559 HydrophobicContact CD1-CZ3 4.5Å; I441-W559 HydrophobicContact CG2-CH2 4.03Å; F503-W559 HydrophobicContact CE1-CZ2 4.21Å; M507-W559 HydrophobicContact SD-CZ2 4.4Å; I549-W559 PolarHBondContact O-NE1 3.18Å; W551-W559 AromaticContact CE3-CD2 3.61Å; W551-W559 HydrophobicContact CE3-CD2 3.61Å; W551-W559 AromaticContact CE3-CE2 3.88Å; W551-W559 AromaticContact CE3-CE3 3.82Å; W551-W559 HydrophobicContact CE3-CE3 3.82Å; W551-W559 AromaticContact CE3-CG 3.95Å; W551-W559 HydrophobicContact CE3-CG 3.95Å; W551-W559 HydrophobicContact CE3-CH2 4.44Å; W551-W559 HydrophobicContact CE3-CZ2 4.28Å; W551-W559 HydrophobicContact CE3-CZ3 4.24Å; W551-W559 HydrophobicContact CZ3-CD2 4.02Å; W551-W559 AromaticContact CZ3-CE3 3.76Å; W551-W559 HydrophobicContact CZ3-CE3 3.76Å; W551-W559 HydrophobicContact CZ3-CG 4.48Å; W551-W559 HydrophobicContact CZ3-CZ3 4.14Å; S555-W559 VanDerWaalsContact O-CB 3.32Å; S555-W559 WeakPolarHBondContact O-CB 3.43Å; S555-W559 PolarHBondContact O-N 3.09Å; E557-W559 VanDerWaalsContact C-N 3.35Å; E557-W559 PolarHBondContact O-N 3.48Å; W559-K561 VanDerWaalsContact C-N 3.31Å; W559-K561 PolarHBondContact O-N 2.92Å; W559-A562 WeakPolarHBondContact O-CB 3.42Å; W559-A562 PolarHBondContact O-N 3.03Å; W559-A562 VanDerWaalsContact O-N 3.14Å; W559-L563 HydrophobicContact CD2-CD1 3.74Å; W559-L563 HydrophobicContact CD2-CG 4.45Å; W559-L563 HydrophobicContact CE3-CD1 3.78Å; W559-L563 HydrophobicContact CH2-CD1 3.59Å; W559-L563 HydrophobicContact CZ2-CD1 3.54Å; W559-L563 HydrophobicContact CZ3-CD1 3.71Å; W559-L563 WeakPolarHBondContact O-CG 3.18Å; W559-L563 PolarHBondContact O-N 3.39Å
560	T	95.5	Very high	93.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-39.3	176.9	-67.7	0	0	0	0	112.1	I420 R430 L431 E556 E557 L563 K564	I420-T560 HydrophobicContact CB-CG2 4.32Å; I420-T560 HydrophobicContact CG1-CG2 3.88Å; I420-T560 HydrophobicContact CG2-CG2 4.43Å; R430-T560 PolarHBondContact N-OG1 3.12Å; R430-T560 PolarHBondContact O-OG1 3.37Å; L431-T560 HydrophobicContact CD2-CG2 4.29Å; L431-T560 HydrophobicContact CG-CG2 4.41Å; E556-T560 VanDerWaalsContact O-CB 3.23Å; E556-T560 WeakPolarHBondContact O-CB 3.32Å; E556-T560 PolarHBondContact O-N 3.13Å; E556-T560 PolarHBondContact O-OG1 3.19Å; E557-T560 PolarHBondContact O-N 3.3Å; T560-L563 PolarHBondContact O-N 3.42Å; T560-K564 WeakPolarHBondContact O-CB 3.32Å; T560-K564 PolarHBondContact O-N 2.95Å
561	K	95.1	Very high	93.5	Very high	76 Å²	76	36.8 Å²	36.8	33%	0.33	20%	0.204	S	C	.	.	H	α-helix	trans	-62.7	-42.9	174.9	-161	-177	178.3	-162.6	0	111.2	D541 Y547 E557 N558 W559 L563 K564 M565	D541-K561 IonicContact OD2-NZ 2.97Å; D541-K561 PolarHBondContact OD2-NZ 3.02Å; Y547-K561 HydrophobicContact CD1-CB 4.47Å; Y547-K561 HydrophobicContact CD1-CD 4.25Å; Y547-K561 HydrophobicContact CD2-CD 4.41Å; Y547-K561 HydrophobicContact CE1-CD 3.73Å; Y547-K561 HydrophobicContact CE2-CD 3.89Å; Y547-K561 PolarHBondContact OH-NZ 3.39Å; E557-K561 WeakPolarHBondContact O-CB 3.37Å; E557-K561 PolarHBondContact O-N 3.3Å; N558-K561 PolarHBondContact O-N 2.94Å; W559-K561 VanDerWaalsContact C-N 3.31Å; W559-K561 PolarHBondContact O-N 2.92Å; K561-L563 PolarHBondContact O-N 3.42Å; K561-K564 PolarHBondContact O-N 3.2Å; K561-M565 HydrophobicContact CD-CE 4.04Å; K561-M565 HydrophobicContact CG-CE 4.03Å; K561-M565 VanDerWaalsContact O-CG 3.32Å; K561-M565 WeakPolarHBondContact O-CG 3.38Å; K561-M565 PolarHBondContact O-N 3.04Å
562	A	96.1	Very high	93.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-43.2	175.4	0	0	0	0	0	112.3	L539 S548 N558 W559 M565 M566	L539-A562 HydrophobicContact CD1-CB 4.31Å; L539-A562 WeakPolarHBondContact CD1-O 3.31Å; S548-A562 WeakPolarHBondContact O-CB 3.19Å; N558-A562 PolarHBondContact O-N 3.17Å; W559-A562 WeakPolarHBondContact O-CB 3.42Å; W559-A562 PolarHBondContact O-N 3.03Å; W559-A562 VanDerWaalsContact O-N 3.14Å; A562-M565 WeakPolarHBondContact O-CB 3.48Å; A562-M565 PolarHBondContact O-N 3.17Å; A562-M566 PolarHBondContact O-N 3.1Å
563	L	96.7	Very high	93.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-40.5	177.6	-64.2	174.7	0	0	0	112.5	L428 W445 I549 W559 T560 K561 M566 L567	L428-L563 HydrophobicContact CD2-CB 4.12Å; L428-L563 HydrophobicContact CD2-CD2 4.4Å; L428-L563 HydrophobicContact CG-CB 4.15Å; L428-L563 HydrophobicContact CG-CD1 4.16Å; W445-L563 HydrophobicContact CH2-CD2 4.05Å; W445-L563 HydrophobicContact CZ2-CD2 3.38Å; I549-L563 HydrophobicContact CD1-CD2 3.99Å; I549-L563 HydrophobicContact CG1-CD2 3.77Å; W559-L563 HydrophobicContact CD2-CD1 3.74Å; W559-L563 HydrophobicContact CD2-CG 4.45Å; W559-L563 HydrophobicContact CE3-CD1 3.78Å; W559-L563 HydrophobicContact CH2-CD1 3.59Å; W559-L563 HydrophobicContact CZ2-CD1 3.54Å; W559-L563 HydrophobicContact CZ3-CD1 3.71Å; W559-L563 WeakPolarHBondContact O-CG 3.18Å; W559-L563 PolarHBondContact O-N 3.39Å; T560-L563 PolarHBondContact O-N 3.42Å; K561-L563 PolarHBondContact O-N 3.42Å; L563-M566 HydrophobicContact CD2-CE 4.38Å; L563-M566 WeakPolarHBondContact O-CB 3.47Å; L563-M566 PolarHBondContact O-N 3.04Å; L563-L567 PolarHBondContact O-N 3.34Å
564	K	95.6	Very high	94	Very high	46 Å²	46	32 Å²	32	20%	0.2	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-45	173.8	-177.5	171.7	177.2	176.5	0	111.2	G418 H419 T560 K561 M566 L567 I568	G418-K564 PolarHBondContact O-NZ 2.85Å; H419-K564 WeakPolarHBondContact O-CD 3.48Å; T560-K564 WeakPolarHBondContact O-CB 3.32Å; T560-K564 PolarHBondContact O-N 2.95Å; K561-K564 PolarHBondContact O-N 3.2Å; K564-M566 VanDerWaalsContact C-N 3.33Å; K564-M566 PolarHBondContact O-N 3.33Å; K564-L567 PolarHBondContact O-N 3.28Å; K564-I568 HydrophobicContact CG-CD1 4.01Å; K564-I568 VanDerWaalsContact O-CG1 3.26Å; K564-I568 WeakPolarHBondContact O-CG1 3.29Å; K564-I568 PolarHBondContact O-N 3.17Å
565	M	94.7	Very high	93.9	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.02	16%	0.161	C	C	.	.	H	α-helix	trans	-58.9	-43.7	174.9	-70.4	178.6	178.8	0	0	112.1	F531 L539 D541 Y547 K561 A562 I568 N569	F531-M565 HydrophobicContact CB-CB 4.31Å; F531-M565 HydrophobicContact CD1-CB 4.15Å; F531-M565 HydrophobicContact CD1-CE 4.29Å; F531-M565 HydrophobicContact CD1-CG 3.74Å; F531-M565 HydrophobicContact CD1-SD 3.89Å; F531-M565 HydrophobicContact CD2-CB 3.88Å; F531-M565 HydrophobicContact CD2-CG 4.19Å; F531-M565 WeakPolarHBondContact CD2-O 3.45Å; F531-M565 HydrophobicContact CE1-CE 4.14Å; F531-M565 HydrophobicContact CE1-CG 3.78Å; F531-M565 HydrophobicContact CE1-SD 4.22Å; F531-M565 HydrophobicContact CE2-CB 4.26Å; F531-M565 HydrophobicContact CE2-CG 4.22Å; F531-M565 HydrophobicContact CG-CB 3.83Å; F531-M565 HydrophobicContact CG-CG 3.96Å; F531-M565 HydrophobicContact CG-SD 4.4Å; F531-M565 HydrophobicContact CZ-CG 4.04Å; L539-M565 HydrophobicContact CB-SD 4.24Å; L539-M565 HydrophobicContact CD1-CB 4.2Å; D541-M565 HydrophobicContact CB-CE 3.85Å; D541-M565 WeakPolarHBondContact OD2-CE 3.45Å; Y547-M565 HydrophobicContact CD2-CE 3.3Å; Y547-M565 HydrophobicContact CD2-SD 3.77Å; Y547-M565 HydrophobicContact CE2-CE 3.41Å; Y547-M565 VanDerWaalsContact CE2-CE 3.41Å; Y547-M565 HydrophobicContact CE2-SD 4.46Å; Y547-M565 HydrophobicContact CG-CE 4.29Å; Y547-M565 HydrophobicContact CG-SD 4.47Å; K561-M565 HydrophobicContact CD-CE 4.04Å; K561-M565 HydrophobicContact CG-CE 4.03Å; K561-M565 VanDerWaalsContact O-CG 3.32Å; K561-M565 WeakPolarHBondContact O-CG 3.38Å; K561-M565 PolarHBondContact O-N 3.04Å; A562-M565 WeakPolarHBondContact O-CB 3.48Å; A562-M565 PolarHBondContact O-N 3.17Å; M565-I568 PolarHBondContact O-N 2.73Å; M565-N569 PolarHBondContact O-N 3.19Å
566	M	96.1	Very high	93.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-47.4	176.9	-177.4	-167.9	72.3	0	0	112.1	L428 W445 F510 L511 L514 L539 I549 A562 L563 K564 I568 N569 M570	L428-M566 HydrophobicContact CD2-CE 3.64Å; W445-M566 HydrophobicContact CH2-CE 3.72Å; W445-M566 HydrophobicContact CH2-SD 3.77Å; W445-M566 HydrophobicContact CZ2-CE 4.41Å; W445-M566 HydrophobicContact CZ3-CE 3.81Å; W445-M566 HydrophobicContact CZ3-SD 4.05Å; F510-M566 HydrophobicContact CD1-SD 3.87Å; F510-M566 HydrophobicContact CE1-CE 4.19Å; F510-M566 HydrophobicContact CE1-SD 3.56Å; F510-M566 VanDerWaalsContact CE1-SD 3.56Å; L511-M566 HydrophobicContact CD1-CG 4.18Å; L514-M566 HydrophobicContact CD2-CG 3.62Å; L539-M566 HydrophobicContact CD1-CB 4.16Å; I549-M566 HydrophobicContact CD1-SD 3.65Å; A562-M566 PolarHBondContact O-N 3.1Å; L563-M566 HydrophobicContact CD2-CE 4.38Å; L563-M566 WeakPolarHBondContact O-CB 3.47Å; L563-M566 PolarHBondContact O-N 3.04Å; K564-M566 VanDerWaalsContact C-N 3.33Å; K564-M566 PolarHBondContact O-N 3.33Å; M566-I568 VanDerWaalsContact C-N 3.34Å; M566-I568 PolarHBondContact O-N 2.87Å; M566-N569 WeakPolarHBondContact O-CB 3.24Å; M566-N569 PolarHBondContact O-N 3.43Å; M566-M570 HydrophobicContact CE-CE 4.17Å; M566-M570 HydrophobicContact CG-CE 4.01Å; M566-M570 PolarHBondContact O-N 3.43Å; M566-M570 HydrophobicContact SD-CE 4.17Å
567	L	96.1	Very high	93.4	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-39.3	177	-79.7	177.5	0	0	0	112.3	I414 I423 L428 L563 K564 M570 K571	I414-L567 HydrophobicContact CD1-CD2 4.49Å; I414-L567 HydrophobicContact CG2-CB 4Å; I423-L567 HydrophobicContact CB-CD2 4.28Å; I423-L567 HydrophobicContact CD1-CD2 4.32Å; L428-L567 HydrophobicContact CB-CD1 3.85Å; L428-L567 HydrophobicContact CD2-CD1 3.6Å; L428-L567 HydrophobicContact CD2-CD2 4.11Å; L428-L567 HydrophobicContact CD2-CG 3.68Å; L428-L567 HydrophobicContact CG-CD1 4.36Å; L563-L567 PolarHBondContact O-N 3.34Å; K564-L567 PolarHBondContact O-N 3.28Å; L567-M570 HydrophobicContact CD2-SD 4.41Å; L567-M570 WeakPolarHBondContact O-CB 3.48Å; L567-M570 PolarHBondContact O-N 3.08Å; L567-K571 PolarHBondContact O-N 3.17Å
568	I	94.1	Very high	92.7	Very high	50 Å²	50	26.1 Å²	26.1	26%	0.256	13%	0.132	S	C	.	.	H	α-helix	trans	-61.3	-48.3	174.8	-65.6	162.5	0	0	0	109.4	P530 F531 K564 M565 M566 M570 K571 W572	P530-I568 HydrophobicContact CG-CG2 4.23Å; F531-I568 HydrophobicContact CD2-CB 4.22Å; F531-I568 HydrophobicContact CD2-CG2 4.21Å; F531-I568 HydrophobicContact CE2-CB 3.73Å; F531-I568 HydrophobicContact CE2-CD1 3.8Å; F531-I568 HydrophobicContact CE2-CG1 4.38Å; F531-I568 HydrophobicContact CE2-CG2 3.6Å; F531-I568 HydrophobicContact CZ-CD1 4.2Å; K564-I568 HydrophobicContact CG-CD1 4.01Å; K564-I568 VanDerWaalsContact O-CG1 3.26Å; K564-I568 WeakPolarHBondContact O-CG1 3.29Å; K564-I568 PolarHBondContact O-N 3.17Å; M565-I568 PolarHBondContact O-N 2.73Å; M566-I568 VanDerWaalsContact C-N 3.34Å; M566-I568 PolarHBondContact O-N 2.87Å; I568-M570 VanDerWaalsContact C-N 3.29Å; I568-M570 PolarHBondContact O-N 3.08Å; I568-K571 WeakPolarHBondContact O-CA 3.16Å; I568-K571 VanDerWaalsContact O-CB 3.29Å; I568-K571 WeakPolarHBondContact O-CB 3.49Å; I568-K571 PolarHBondContact O-N 3.19Å; I568-W572 VanDerWaalsContact CG2-CD1 3.49Å; I568-W572 PolarHBondContact O-N 3.36Å
569	N	94.2	Very high	91.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-55	-43	175.3	-86.7	3.8	0	0	0	112.7	L529 F531 M565 M566 K571 W572 I573	L529-N569 HydrophobicContact CD2-CB 3.96Å; F531-N569 WeakPolarHBondContact CB-OD1 3.5Å; F531-N569 WeakPolarHBondContact CD2-OD1 3.43Å; F531-N569 PolarHBondContact N-OD1 3.17Å; F531-N569 PolarHBondContact O-ND2 3.47Å; M565-N569 PolarHBondContact O-N 3.19Å; M566-N569 WeakPolarHBondContact O-CB 3.24Å; M566-N569 PolarHBondContact O-N 3.43Å; N569-K571 VanDerWaalsContact C-N 3.32Å; N569-K571 PolarHBondContact O-N 3.25Å; N569-W572 PolarHBondContact O-N 2.96Å; N569-I573 WeakPolarHBondContact O-CG1 3.23Å; N569-I573 PolarHBondContact O-N 2.98Å
570	M	94.9	Very high	90.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.2	-40.1	174.1	-69.9	-176.6	-169.9	0	0	112.8	I414 L451 F510 L514 M566 L567 I568 W572 I573 I574	I414-M570 HydrophobicContact CD1-CB 4.02Å; L451-M570 HydrophobicContact CD2-CB 4.15Å; L451-M570 HydrophobicContact CD2-SD 3.81Å; L451-M570 HydrophobicContact CG-SD 4.48Å; F510-M570 HydrophobicContact CE1-CE 3.2Å; F510-M570 HydrophobicContact CZ-CE 3.22Å; L514-M570 HydrophobicContact CD1-CE 4.15Å; L514-M570 HydrophobicContact CD1-CG 3.77Å; L514-M570 HydrophobicContact CD2-CE 4Å; L514-M570 HydrophobicContact CD2-CG 4.25Å; M566-M570 HydrophobicContact CE-CE 4.17Å; M566-M570 HydrophobicContact CG-CE 4.01Å; M566-M570 PolarHBondContact O-N 3.43Å; M566-M570 HydrophobicContact SD-CE 4.17Å; L567-M570 HydrophobicContact CD2-SD 4.41Å; L567-M570 WeakPolarHBondContact O-CB 3.48Å; L567-M570 PolarHBondContact O-N 3.08Å; I568-M570 VanDerWaalsContact C-N 3.29Å; I568-M570 PolarHBondContact O-N 3.08Å; M570-W572 VanDerWaalsContact C-N 3.33Å; M570-W572 PolarHBondContact O-N 2.9Å; M570-I573 WeakPolarHBondContact O-CB 3.42Å; M570-I573 PolarHBondContact O-N 2.86Å; M570-I574 WeakPolarHBondContact O-CG1 2.95Å; M570-I574 PolarHBondContact O-N 3.41Å
571	K	92.8	Very high	88.8	Confident	83 Å²	83	35.4 Å²	35.4	36%	0.361	17%	0.174	S	C	.	.	H	α-helix	trans	-61.2	-42.4	175.1	-172.2	174.1	-176.4	164.2	0	111.6	I414 L567 I568 N569 I574 A575	I414-K571 HydrophobicContact CB-CB 4.31Å; I414-K571 HydrophobicContact CB-CD 4.26Å; I414-K571 HydrophobicContact CB-CG 4.48Å; I414-K571 HydrophobicContact CD1-CB 4.11Å; I414-K571 HydrophobicContact CG2-CB 4.26Å; I414-K571 HydrophobicContact CG2-CD 4.3Å; I414-K571 PolarHBondContact O-NZ 2.79Å; L567-K571 PolarHBondContact O-N 3.17Å; I568-K571 WeakPolarHBondContact O-CA 3.16Å; I568-K571 VanDerWaalsContact O-CB 3.29Å; I568-K571 WeakPolarHBondContact O-CB 3.49Å; I568-K571 PolarHBondContact O-N 3.19Å; N569-K571 VanDerWaalsContact C-N 3.32Å; N569-K571 PolarHBondContact O-N 3.25Å; K571-I574 PolarHBondContact O-N 3.32Å; K571-A575 PolarHBondContact O-N 3.1Å
572	W	91.8	Very high	86.8	Confident	110 Å²	110	35.6 Å²	35.6	42%	0.417	18%	0.179	S	C	.	.	H	α-helix	trans	-63.7	-39.6	174.2	-79.8	86.4	0	0	0	112.1	M527 L529 P530 I568 N569 M570 A575 A576	M527-W572 HydrophobicContact CG-CE3 4.49Å; M527-W572 HydrophobicContact CG-CZ3 4.45Å; M527-W572 HydrophobicContact SD-CE3 3.66Å; M527-W572 HydrophobicContact SD-CZ3 3.8Å; L529-W572 HydrophobicContact CG-CB 4.33Å; P530-W572 HydrophobicContact CG-CD2 4.36Å; P530-W572 HydrophobicContact CG-CG 4.2Å; I568-W572 VanDerWaalsContact CG2-CD1 3.49Å; I568-W572 PolarHBondContact O-N 3.36Å; N569-W572 PolarHBondContact O-N 2.96Å; M570-W572 VanDerWaalsContact C-N 3.33Å; M570-W572 PolarHBondContact O-N 2.9Å; W572-A575 PolarHBondContact O-N 3.13Å; W572-A576 WeakPolarHBondContact O-CB 3.25Å; W572-A576 PolarHBondContact O-N 3.17Å
573	I	91.7	Very high	84.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-47.4	173	-73.1	171.5	0	0	0	111.2	I455 L514 A517 I521 L529 N569 M570 A575 A576 L577	I455-I573 HydrophobicContact CD1-CG2 3.71Å; I455-I573 HydrophobicContact CG1-CG2 4.07Å; I455-I573 HydrophobicContact CG2-CG2 3.83Å; L514-I573 HydrophobicContact CD1-CD1 3.61Å; A517-I573 HydrophobicContact CB-CD1 4.49Å; I521-I573 HydrophobicContact CD1-CB 3.82Å; I521-I573 HydrophobicContact CD1-CD1 4.37Å; I521-I573 HydrophobicContact CD1-CG1 3.68Å; I521-I573 HydrophobicContact CD1-CG2 3.29Å; L529-I573 HydrophobicContact CD2-CD1 4.04Å; L529-I573 HydrophobicContact CD2-CG1 3.76Å; N569-I573 WeakPolarHBondContact O-CG1 3.23Å; N569-I573 PolarHBondContact O-N 2.98Å; M570-I573 WeakPolarHBondContact O-CB 3.42Å; M570-I573 PolarHBondContact O-N 2.86Å; I573-A575 VanDerWaalsContact C-N 3.28Å; I573-A575 PolarHBondContact O-N 2.97Å; I573-A576 PolarHBondContact O-N 3.45Å; I573-L577 HydrophobicContact CG2-CD1 3.98Å; I573-L577 HydrophobicContact CG2-CG 4.43Å; I573-L577 WeakPolarHBondContact O-CB 3.25Å; I573-L577 VanDerWaalsContact O-CG 3.3Å; I573-L577 WeakPolarHBondContact O-CG 3.48Å; I573-L577 PolarHBondContact O-N 3.42Å
574	I	90.7	Very high	82.4	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-58.5	-42.5	177	-68.5	167.3	0	0	0	110.8	N406 L408 N409 I414 L451 M570 K571 L577 S578	N406-I574 VanDerWaalsContact ND2-CG2 3.31Å; N406-I574 WeakPolarHBondContact ND2-CG2 3.4Å; N406-I574 PolarHBondContact ND2-O 3.46Å; L408-I574 HydrophobicContact CB-CD1 4.48Å; L408-I574 HydrophobicContact CB-CG1 4.18Å; L408-I574 HydrophobicContact CB-CG2 3.87Å; L408-I574 HydrophobicContact CD1-CG1 4.49Å; N409-I574 HydrophobicContact CB-CG2 4.1Å; I414-I574 HydrophobicContact CD1-CD1 4.02Å; L451-I574 HydrophobicContact CD1-CD1 3.79Å; L451-I574 HydrophobicContact CD1-CG1 4.19Å; L451-I574 HydrophobicContact CD2-CD1 4.05Å; M570-I574 WeakPolarHBondContact O-CG1 2.95Å; M570-I574 PolarHBondContact O-N 3.41Å; K571-I574 PolarHBondContact O-N 3.32Å; I574-L577 PolarHBondContact O-N 3.46Å; I574-S578 PolarHBondContact O-N 3.42Å; I574-S578 VanDerWaalsContact O-N 3.17Å
575	A	88.3	Confident	80.1	Confident	51 Å²	51	48.6 Å²	48.6	42%	0.421	24%	0.243	S	C	.	.	H	α-helix	trans	-64.6	-45.3	177.2	0	0	0	0	0	112	K571 W572 I573 L577 S578 T579	K571-A575 PolarHBondContact O-N 3.1Å; W572-A575 PolarHBondContact O-N 3.13Å; I573-A575 VanDerWaalsContact C-N 3.28Å; I573-A575 PolarHBondContact O-N 2.97Å; A575-L577 VanDerWaalsContact C-N 3.33Å; A575-L577 PolarHBondContact O-N 2.88Å; A575-S578 WeakPolarHBondContact O-CB 3.44Å; A575-S578 PolarHBondContact O-N 3.46Å; A575-S578 VanDerWaalsContact O-N 3.09Å; A575-T579 PolarHBondContact O-N 3.34Å
576	A	86.6	Confident	77.8	Confident	3 Å²	3	53.1 Å²	53.1	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-34.4	177.4	0	0	0	0	0	112.8	I521 W572 I573 S578 T579 K580	I521-A576 HydrophobicContact CG2-CB 3.55Å; W572-A576 WeakPolarHBondContact O-CB 3.25Å; W572-A576 PolarHBondContact O-N 3.17Å; I573-A576 PolarHBondContact O-N 3.45Å; A576-S578 VanDerWaalsContact C-N 3.27Å; A576-S578 PolarHBondContact O-N 3.11Å; A576-T579 PolarHBondContact O-N 3.15Å; A576-T579 PolarHBondContact O-OG1 2.81Å; A576-K580 PolarHBondContact O-N 2.81Å
577	L	85.2	Confident	75.2	Confident	15 Å²	15	58.4 Å²	58.4	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-30	173	-72.8	173.6	0	0	0	112.6	L408 I455 K458 L459 I521 I573 I574 A575	L408-L577 HydrophobicContact CD1-CD1 4.03Å; I455-L577 HydrophobicContact CG1-CD1 4.22Å; I455-L577 HydrophobicContact CG2-CD1 4.29Å; K458-L577 HydrophobicContact CG-CD1 4.34Å; K458-L577 HydrophobicContact CG-CD2 4.43Å; L459-L577 HydrophobicContact CD2-CD2 3.52Å; L459-L577 HydrophobicContact CG-CD2 4.06Å; I521-L577 HydrophobicContact CD1-CG 4.39Å; I573-L577 HydrophobicContact CG2-CD1 3.98Å; I573-L577 HydrophobicContact CG2-CG 4.43Å; I573-L577 WeakPolarHBondContact O-CB 3.25Å; I573-L577 VanDerWaalsContact O-CG 3.3Å; I573-L577 WeakPolarHBondContact O-CG 3.48Å; I573-L577 PolarHBondContact O-N 3.42Å; I574-L577 PolarHBondContact O-N 3.46Å; A575-L577 VanDerWaalsContact C-N 3.33Å; A575-L577 PolarHBondContact O-N 2.88Å
578	S	79.7	Confident	72.9	Confident	38 Å²	38	63.3 Å²	63.3	27%	0.266	32%	0.32	S	S	.	.	H	α-helix	trans	-64.3	-46.6	174.8	-163.4	0	0	0	0	111.5	I574 A575 A576 K580 K581	I574-S578 PolarHBondContact O-N 3.42Å; I574-S578 VanDerWaalsContact O-N 3.17Å; A575-S578 WeakPolarHBondContact O-CB 3.44Å; A575-S578 PolarHBondContact O-N 3.46Å; A575-S578 VanDerWaalsContact O-N 3.09Å; A576-S578 VanDerWaalsContact C-N 3.27Å; A576-S578 PolarHBondContact O-N 3.11Å; S578-K580 VanDerWaalsContact C-N 3.34Å; S578-K580 PolarHBondContact O-N 3.4Å; S578-K581 PolarHBondContact O-N 3.15Å
579	T	75.6	Confident	70.5	Confident	67 Å²	67	67.3 Å²	67.3	41%	0.411	34%	0.337	S	S	.	.	H	α-helix	trans	-69.5	-29.9	-175.4	61.8	0	0	0	0	112.9	A575 A576 K581 N582 K583	A575-T579 PolarHBondContact O-N 3.34Å; A576-T579 PolarHBondContact O-N 3.15Å; A576-T579 PolarHBondContact O-OG1 2.81Å; T579-K581 VanDerWaalsContact C-N 3.33Å; T579-K581 PolarHBondContact O-N 3.06Å; T579-N582 PolarHBondContact O-N 3.28Å; T579-K583 PolarHBondContact O-N 3.2Å
580	K	68.5	Low	68.3	Low	77 Å²	77	70.1 Å²	70.1	34%	0.335	36%	0.357	S	S	.	.	H	α-helix	trans	-62.4	-34.5	178	-170.6	174.2	-177.5	171.9	0	113.4	T524 A576 S578 K584	T524-K580 HydrophobicContact CG2-CD 4.01Å; A576-K580 PolarHBondContact O-N 2.81Å; S578-K580 VanDerWaalsContact C-N 3.34Å; S578-K580 PolarHBondContact O-N 3.4Å; K580-K584 PolarHBondContact O-N 2.75Å
581	K	60.5	Low	66.2	Low	121 Å²	121	73.9 Å²	73.9	53%	0.526	38%	0.38	S	S	.	.	H	α-helix	trans	-65.8	-41.6	177.6	-83	-171.9	173.4	-174	0	111.8	S578 T579 K583 K584 A585	S578-K581 PolarHBondContact O-N 3.15Å; T579-K581 VanDerWaalsContact C-N 3.33Å; T579-K581 PolarHBondContact O-N 3.06Å; K581-K583 VanDerWaalsContact C-N 3.32Å; K581-K583 PolarHBondContact O-N 2.89Å; K581-K584 PolarHBondContact O-N 3.45Å; K581-A585 PolarHBondContact O-N 3.46Å; K581-A585 VanDerWaalsContact O-N 3.08Å
582	N	52.7	Low	64	Low	79 Å²	79	75 Å²	75	42%	0.422	39%	0.389	S	S	.	.	H	α-helix	trans	-65.6	-36.4	-177.2	-66.7	-6.5	0	0	0	111.5	T579 K584 A585 I586	T579-N582 PolarHBondContact O-N 3.28Å; N582-K584 PolarHBondContact O-N 3.38Å; N582-A585 PolarHBondContact O-N 3.3Å; N582-I586 WeakPolarHBondContact O-CB 3.42Å; N582-I586 WeakPolarHBondContact O-CD1 3.48Å; N582-I586 WeakPolarHBondContact O-CG1 3.4Å; N582-I586 PolarHBondContact O-N 2.99Å
583	K	51.6	Low	62.1	Low	132 Å²	132	73.5 Å²	73.5	57%	0.574	40%	0.396	S	S	*	.	H	α-helix	trans	-64.3	-40.2	175.6	-68.2	-174.4	179.1	-178.4	0	113.3	T579 K581 N587	T579-K583 PolarHBondContact O-N 3.2Å; K581-K583 VanDerWaalsContact C-N 3.32Å; K581-K583 PolarHBondContact O-N 2.89Å; K583-N587 PolarHBondContact O-N 2.88Å
584	K	49.2	Very low	60.1	Low	147 Å²	147	78.1 Å²	78.1	64%	0.639	42%	0.424	S	S	*	.	H	α-helix	trans	-67.3	-36.8	174.7	-76	-167.9	175.3	-169	0	112.2	K580 K581 N582 I588	K580-K584 PolarHBondContact O-N 2.75Å; K581-K584 PolarHBondContact O-N 3.45Å; N582-K584 PolarHBondContact O-N 3.38Å; K584-I588 WeakPolarHBondContact O-CG1 3.3Å; K584-I588 PolarHBondContact O-N 3.4Å
585	A	46.2	Very low	58	Low	40 Å²	40	85.6 Å²	85.6	33%	0.331	46%	0.461	S	S	.	.	H	α-helix	trans	-69.8	-40.4	177.1	0	0	0	0	0	112.6	K581 N582 N587 I588 Q589	K581-A585 PolarHBondContact O-N 3.46Å; K581-A585 VanDerWaalsContact O-N 3.08Å; N582-A585 PolarHBondContact O-N 3.3Å; A585-N587 VanDerWaalsContact C-N 3.31Å; A585-N587 PolarHBondContact O-N 2.88Å; A585-I588 PolarHBondContact O-N 3.16Å; A585-I588 VanDerWaalsContact O-N 3.08Å; A585-Q589 PolarHBondContact O-N 3.41Å
586	I	47.7	Very low	55.9	Low	99 Å²	99	90.3 Å²	90.3	51%	0.508	48%	0.479	S	S	.	.	H	α-helix	trans	-62.8	-37.6	175.7	-68.1	162.9	0	0	0	111.2	N582 I588 Q589 S590	N582-I586 WeakPolarHBondContact O-CB 3.42Å; N582-I586 WeakPolarHBondContact O-CD1 3.48Å; N582-I586 WeakPolarHBondContact O-CG1 3.4Å; N582-I586 PolarHBondContact O-N 2.99Å; I586-I588 VanDerWaalsContact C-N 3.28Å; I586-I588 PolarHBondContact O-N 3.35Å; I586-Q589 PolarHBondContact O-N 3.44Å; I586-S590 WeakPolarHBondContact O-CB 3.35Å; I586-S590 PolarHBondContact O-N 2.83Å; I586-S590 PolarHBondContact O-OG 3.27Å
587	N	41.6	Very low	53.5	Low	112 Å²	112	101.4 Å²	101.4	60%	0.599	53%	0.527	S	S	*	.	H	α-helix	trans	-66.3	-27.7	174.2	-81.5	5.4	0	0	0	113.2	K583 A585 S590 T591	K583-N587 PolarHBondContact O-N 2.88Å; A585-N587 VanDerWaalsContact C-N 3.31Å; A585-N587 PolarHBondContact O-N 2.88Å; N587-S590 WeakPolarHBondContact CA-OG 3.38Å; N587-S590 PolarHBondContact O-OG 3.04Å; N587-T591 VanDerWaalsContact O-CG2 3.31Å; N587-T591 WeakPolarHBondContact O-CG2 3.4Å; N587-T591 PolarHBondContact O-N 3.14Å; N587-T591 PolarHBondContact O-OG1 3.31Å
588	I	47.4	Very low	51.9	Low	104 Å²	104	105.7 Å²	105.7	53%	0.533	55%	0.549	S	S	.	.	H	α-helix	trans	-79.8	-37.9	176.2	-64.1	166.4	0	0	0	110.8	K584 A585 I586 T591 L592	K584-I588 WeakPolarHBondContact O-CG1 3.3Å; K584-I588 PolarHBondContact O-N 3.4Å; A585-I588 PolarHBondContact O-N 3.16Å; A585-I588 VanDerWaalsContact O-N 3.08Å; I586-I588 VanDerWaalsContact C-N 3.28Å; I586-I588 PolarHBondContact O-N 3.35Å; I588-T591 WeakPolarHBondContact CA-OG1 3.21Å; I588-T591 PolarHBondContact O-N 3.23Å; I588-T591 PolarHBondContact O-OG1 3Å; I588-L592 HydrophobicContact CG2-CD1 4.19Å; I588-L592 WeakPolarHBondContact O-CD1 3.3Å; I588-L592 PolarHBondContact O-N 3.21Å
589	Q	44.5	Very low	50.5	Low	133 Å²	133	109.3 Å²	109.3	62%	0.621	56%	0.564	S	S	*	*	H	α-helix	trans	-70.1	-37.9	176.1	-77.8	178	-28.1	0	0	112.9	A585 I586 T591 L592 S593	A585-Q589 PolarHBondContact O-N 3.41Å; I586-Q589 PolarHBondContact O-N 3.44Å; Q589-T591 VanDerWaalsContact C-N 3.31Å; Q589-T591 PolarHBondContact O-N 3.12Å; Q589-L592 PolarHBondContact O-N 3.44Å; Q589-S593 PolarHBondContact O-N 3.32Å
590	S	47.6	Very low	49.1	Very low	60 Å²	60	111.6 Å²	111.6	42%	0.42	57%	0.572	S	S	.	*	H	α-helix	trans	-66.5	-32.2	174.6	48.5	0	0	0	0	112.7	I586 N587 T594	I586-S590 WeakPolarHBondContact O-CB 3.35Å; I586-S590 PolarHBondContact O-N 2.83Å; I586-S590 PolarHBondContact O-OG 3.27Å; N587-S590 WeakPolarHBondContact CA-OG 3.38Å; N587-S590 PolarHBondContact O-OG 3.04Å; S590-T594 PolarHBondContact O-N 3.45Å; S590-T594 PolarHBondContact O-OG1 3.03Å
591	T	49.2	Very low	47.9	Very low	78 Å²	78	113.6 Å²	113.6	48%	0.479	59%	0.586	S	S	.	*	H	α-helix	trans	-75.1	-35.7	175.2	44.5	0	0	0	0	112.8	N587 I588 Q589 T594 M595	N587-T591 VanDerWaalsContact O-CG2 3.31Å; N587-T591 WeakPolarHBondContact O-CG2 3.4Å; N587-T591 PolarHBondContact O-N 3.14Å; N587-T591 PolarHBondContact O-OG1 3.31Å; I588-T591 WeakPolarHBondContact CA-OG1 3.21Å; I588-T591 PolarHBondContact O-N 3.23Å; I588-T591 PolarHBondContact O-OG1 3Å; Q589-T591 VanDerWaalsContact C-N 3.31Å; Q589-T591 PolarHBondContact O-N 3.12Å; T591-T594 WeakPolarHBondContact CA-OG1 3.38Å; T591-T594 PolarHBondContact O-N 3.44Å; T591-T594 PolarHBondContact O-OG1 3.34Å; T591-M595 PolarHBondContact O-N 3.18Å
592	L	48	Very low	47.2	Very low	106 Å²	106	113.2 Å²	113.2	56%	0.555	59%	0.59	S	S	*	*	H	α-helix	trans	-66.5	-42	171.5	-101.6	82.7	0	0	0	112.3	I588 Q589 T594 M595 D596	I588-L592 HydrophobicContact CG2-CD1 4.19Å; I588-L592 WeakPolarHBondContact O-CD1 3.3Å; I588-L592 PolarHBondContact O-N 3.21Å; Q589-L592 PolarHBondContact O-N 3.44Å; L592-T594 PolarHBondContact O-N 3.2Å; L592-T594 VanDerWaalsContact O-N 3.13Å; L592-M595 PolarHBondContact O-N 3.09Å; L592-D596 PolarHBondContact O-N 3.06Å
593	S	50.6	Low	46.8	Very low	79 Å²	79	115.5 Å²	115.5	55%	0.552	60%	0.601	S	S	*	*	H	α-helix	trans	-63.9	-18.3	177.9	-179	0	0	0	0	113.8	Q589	Q589-S593 PolarHBondContact O-N 3.32Å
594	T	50.8	Low	46.4	Very low	98 Å²	98	114.3 Å²	114.3	60%	0.601	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-9.1	173.1	45.7	0	0	0	0	114	S590 T591 L592	S590-T594 PolarHBondContact O-N 3.45Å; S590-T594 PolarHBondContact O-OG1 3.03Å; T591-T594 WeakPolarHBondContact CA-OG1 3.38Å; T591-T594 PolarHBondContact O-N 3.44Å; T591-T594 PolarHBondContact O-OG1 3.34Å; L592-T594 PolarHBondContact O-N 3.2Å; L592-T594 VanDerWaalsContact O-N 3.13Å
595	M	46.7	Very low	46.2	Very low	158 Å²	158	111.8 Å²	111.8	78%	0.778	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-19.8	174.1	-66.4	-168.6	90.1	0	0	112.9	T591 L592 K597	T591-M595 PolarHBondContact O-N 3.18Å; L592-M595 PolarHBondContact O-N 3.09Å; M595-K597 VanDerWaalsContact C-N 3.3Å
596	D	43.6	Very low	46.2	Very low	150 Å²	150	117.8 Å²	117.8	80%	0.802	62%	0.623	S	S	*	*			trans	-89.2	12.9	174	-72.5	-23.5	0	0	0	113.6	L592	L592-D596 PolarHBondContact O-N 3.06Å
597	K	37.4	Very low	46.1	Very low	236 Å²	236	119.5 Å²	119.5	100%	1.026	63%	0.633	S	S	*	*			trans	-119.2	0	166.3	-75.3	-173.3	178.6	-177.5	0	108.9	M595	M595-K597 VanDerWaalsContact C-N 3.3Å

Retrieved 597 of 597 residues in 777.5 ms (Link to these results)

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